A0A087XMJ6_POEFO Loading...

Sestrin 2

AlphaFold DB , UniProt , Accession A0A087XMJ6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 558 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	34.2	Very low	28.7	Very low	251 Å²	251	119.5 Å²	119.5	100%	1.236	74%	0.743	S	S	*	*				0	105.4	0	-72.6	-166.9	-167	0	0	108.9
2	A	24	Very low	28.5	Very low	103 Å²	103	123 Å²	123	85%	0.851	74%	0.739	S	S	*	*			trans	-169.7	90.6	157.4	0	0	0	0	0	105	G4	A2-G4 PolarHBondContact O-N 3.19Å; A2-G4 VanDerWaalsContact O-N 3.13Å
3	S	25.6	Very low	28.3	Very low	126 Å²	126	121.5 Å²	121.5	88%	0.881	75%	0.748	S	S	*	*			trans	-70.3	98.3	171.8	50.6	0	0	0	0	108	S5	S3-S5 PolarHBondContact O-N 3.01Å
4	G	25.6	Very low	28.1	Very low	70 Å²	70	127.9 Å²	127.9	72%	0.722	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-66.2	121.8	169.4	0	0	0	0	0	109	A2 I6	A2-G4 PolarHBondContact O-N 3.19Å; A2-G4 VanDerWaalsContact O-N 3.13Å; G4-I6 PolarHBondContact O-N 3.06Å
5	S	25.7	Very low	28	Very low	116 Å²	116	124.4 Å²	124.4	81%	0.811	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-58.5	123.6	172.5	24.7	0	0	0	0	110.4	S3	S3-S5 PolarHBondContact O-N 3.01Å
6	I	28.1	Very low	27.8	Very low	136 Å²	136	129 Å²	129	70%	0.697	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-66.2	128.9	169.7	-60.8	170.9	0	0	0	107.3	G4 S8	G4-I6 PolarHBondContact O-N 3.06Å; I6-S8 PolarHBondContact O-N 3.32Å
7	P	28.4	Very low	27.9	Very low	108 Å²	108	131.5 Å²	131.5	70%	0.701	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-62.8	132.6	177.1	-8.8	20.4	0	0	0	110	F9	P7-F9 PolarHBondContact O-N 3.43Å
8	S	27.8	Very low	27.7	Very low	110 Å²	110	132.8 Å²	132.8	77%	0.769	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-66.6	125	176.1	53.3	0	0	0	0	111.4	I6	I6-S8 PolarHBondContact O-N 3.32Å
9	F	36.1	Very low	27.8	Very low	80 Å²	80	131.9 Å²	131.9	35%	0.351	78%	0.776	S	S	.	*	P	Polyproline II helix	trans	-73.5	130.6	175	-69	-92.9	0	0	0	111	P7 E149 S172	P7-F9 PolarHBondContact O-N 3.43Å; F9-E149 HydrophobicContact CB-CG 4.35Å; F9-E149 HydrophobicContact CD2-CG 4.47Å; F9-E149 HydrophobicContact CG-CG 4.3Å; F9-S172 WeakPolarHBondContact CZ-OG 3.15Å
10	T	27.4	Very low	27.7	Very low	117 Å²	117	137.5 Å²	137.5	72%	0.718	78%	0.783	S	S	*	*			trans	-135.7	101.1	163.4	-11.3	0	0	0	0	109.7	K12	T10-K12 PolarHBondContact O-N 3.36Å
11	F	32.5	Very low	27.6	Very low	98 Å²	98	140.2 Å²	140.2	43%	0.43	79%	0.79	S	S	.	*			trans	-71.5	110.1	160.6	-94	-85.3	0	0	0	107.9	A13 H179	F11-A13 PolarHBondContact O-N 3.06Å; F11-H179 AromaticContact CE1-CD2 3.6Å; F11-H179 AromaticContact CE1-CE1 3.8Å; F11-H179 AromaticContact CE1-CG 3.82Å; F11-H179 AromaticContact CE1-ND1 3.94Å; F11-H179 AromaticContact CE1-NE2 3.58Å; F11-H179 HydrophobicContact CZ-CB 4.44Å
12	K	27	Very low	27.3	Very low	161 Å²	161	134.9 Å²	134.9	70%	0.7	77%	0.771	S	S	*	*			trans	-78.3	109	170	-81.7	-175.6	177	179	0	108.8	T10 Y14	T10-K12 PolarHBondContact O-N 3.36Å; K12-Y14 HydrophobicContact CB-CE2 4.36Å; K12-Y14 PolarHBondContact O-N 2.74Å
13	A	25.8	Very low	27.4	Very low	103 Å²	103	135.7 Å²	135.7	85%	0.851	77%	0.77	S	S	*	*			trans	-68.3	117.6	160.7	0	0	0	0	0	108.3	F11	F11-A13 PolarHBondContact O-N 3.06Å
14	Y	25.7	Very low	27.4	Very low	212 Å²	212	133.5 Å²	133.5	83%	0.831	77%	0.768	S	S	*	*			trans	-87.6	116.2	168	-83.1	-83.1	0	0	0	108.8	K12	K12-Y14 HydrophobicContact CB-CE2 4.36Å; K12-Y14 PolarHBondContact O-N 2.74Å
15	G	25.7	Very low	27.4	Very low	75 Å²	75	136.3 Å²	136.3	77%	0.773	78%	0.776	S	S	*	*			trans	-175.3	73.7	175.5	0	0	0	0	0	111
16	E	25.9	Very low	27.4	Very low	198 Å²	198	134.6 Å²	134.6	93%	0.925	78%	0.777	S	S	*	*			trans	-119.2	110	159.2	-81.6	-169.6	159.6	0	0	108.8
17	D	28.9	Very low	27.2	Very low	172 Å²	172	133.7 Å²	133.7	92%	0.92	78%	0.783	S	S	*	*			trans	-62.8	134.4	170.2	-84.3	-40.4	0	0	0	110.7
18	N	25.2	Very low	27	Very low	154 Å²	154	134 Å²	134	82%	0.824	79%	0.787	S	S	*	*			trans	-122.1	120.6	167.3	-142.6	-10.5	0	0	0	108.6	R20	N18-R20 PolarHBondContact O-N 3.4Å
19	P	28.6	Very low	26.9	Very low	117 Å²	117	133.7 Å²	133.7	76%	0.76	79%	0.785	S	S	*	*			trans	-83.3	120.1	-170.5	31.9	-30.8	0	0	0	110
20	R	26	Very low	26.4	Very low	243 Å²	243	140.1 Å²	140.1	92%	0.917	81%	0.807	S	S	*	*			trans	-115.5	115	161.7	-77.5	-170.9	176.3	-176.9	0.7	110.1	N18 V22	N18-R20 PolarHBondContact O-N 3.4Å; R20-V22 PolarHBondContact O-N 2.58Å
21	Q	26.3	Very low	26.3	Very low	195 Å²	195	143.5 Å²	143.5	91%	0.911	81%	0.814	S	S	*	*			trans	-50.4	125.5	168.4	-74.6	172.8	-28.4	0	0	111.1
22	V	27.7	Very low	26	Very low	139 Å²	139	146.1 Å²	146.1	84%	0.842	83%	0.827	S	S	*	*			trans	-137.6	118.2	149	-177.1	0	0	0	0	108.2	R20	R20-V22 PolarHBondContact O-N 2.58Å
23	S	24.7	Very low	25.9	Very low	120 Å²	120	144 Å²	144	84%	0.839	83%	0.833	S	S	*	*			trans	-71.8	133.3	172.3	23.9	0	0	0	0	110.8
24	G	26.7	Very low	26.2	Very low	80 Å²	80	146.4 Å²	146.4	83%	0.825	83%	0.831	S	S	*	*			trans	-171.3	96	173.9	0	0	0	0	0	111.8
25	S	25.3	Very low	26.4	Very low	129 Å²	129	141.9 Å²	141.9	90%	0.902	83%	0.831	S	S	*	*			trans	-67.3	130.7	177	49.9	0	0	0	0	112.9
26	G	24.9	Very low	26.7	Very low	80 Å²	80	147.4 Å²	147.4	83%	0.825	84%	0.837	S	S	*	*			trans	-169.2	104.7	167.2	0	0	0	0	0	111.1
27	S	25.1	Very low	27.2	Very low	117 Å²	117	142.2 Å²	142.2	82%	0.818	82%	0.822	S	S	*	*			trans	-84.3	143.9	-172.4	57.4	0	0	0	0	114.2
28	S	24.6	Very low	28	Very low	115 Å²	115	142.2 Å²	142.2	80%	0.804	82%	0.817	S	S	*	*			trans	79.2	106.1	143.7	-159.7	0	0	0	0	119.3
29	S	25.1	Very low	29.2	Very low	103 Å²	103	137.9 Å²	137.9	72%	0.72	79%	0.793	S	S	*	*				-163.5	112.7	87.5	59.5	0	0	0	0	109.9
30	R	24.7	Very low	30.1	Very low	215 Å²	215	134.5 Å²	134.5	81%	0.811	77%	0.771	S	S	*	*			trans	-90.2	113.5	174.4	-73.1	177.4	180	168.6	-1.3	107.8	H32	R30-H32 PolarHBondContact O-N 3.02Å
31	H	25.1	Very low	31.5	Very low	188 Å²	188	123.6 Å²	123.6	87%	0.87	73%	0.732	S	S	*	*			trans	-84.8	100.5	154.1	-81.8	-62.2	0	0	0	107.4
32	H	26.9	Very low	33	Very low	152 Å²	152	117.7 Å²	117.7	70%	0.704	71%	0.709	S	S	*	*			trans	-65.6	121.7	168.3	-91.5	-79.3	0	0	0	109.9	R30	R30-H32 PolarHBondContact O-N 3.02Å
33	S	24.9	Very low	34.3	Very low	116 Å²	116	116.2 Å²	116.2	81%	0.811	70%	0.701	S	S	*	*			trans	-141.8	63.4	149.1	75.7	0	0	0	0	109.6
34	D	32.2	Very low	35.9	Very low	154 Å²	154	118.9 Å²	118.9	82%	0.824	70%	0.697	S	S	*	*			trans	-108.2	98.8	163.5	-86.8	-26.9	0	0	0	107.4
35	S	30.9	Very low	37.5	Very low	117 Å²	117	116 Å²	116	82%	0.818	67%	0.665	S	S	*	*			trans	-167.9	65.1	156.8	64.9	0	0	0	0	110.5
36	E	32	Very low	39.6	Very low	192 Å²	192	111.3 Å²	111.3	90%	0.897	63%	0.629	S	S	*	*			trans	-94.2	125.4	154.3	-73.9	-170.1	162.5	0	0	107.7	E38	E36-E38 PolarHBondContact O-N 3.38Å
37	S	34.9	Very low	42	Very low	88 Å²	88	110.5 Å²	110.5	62%	0.615	61%	0.614	S	S	*	*			trans	-61.8	128.7	-175.4	56.8	0	0	0	0	112.3	I39	S37-I39 PolarHBondContact O-N 3.33Å
38	E	46.4	Very low	44.9	Very low	173 Å²	173	112.4 Å²	112.4	81%	0.808	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	31.4	179.9	-63.4	-169.7	139.2	0	0	115.8	E36	E36-E38 PolarHBondContact O-N 3.38Å
39	I	50.3	Low	47.9	Very low	63 Å²	63	107 Å²	107	32%	0.323	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84	-35.3	-170.8	-59.3	171.8	0	0	0	110.9	S37 C71 L74	S37-I39 PolarHBondContact O-N 3.33Å; I39-C71 PolarHBondContact O-SG 3.02Å; I39-L74 HydrophobicContact CG2-CD1 4.41Å
40	C	46.8	Very low	50.9	Low	45 Å²	45	103.2 Å²	103.2	30%	0.304	54%	0.539	S	S	.	.	S	Bend	trans	-87.5	143.5	-178.9	-166.5	0	0	0	0	111.9	T42 T86	C40-T42 PolarHBondContact O-N 3.37Å; C40-T86 PolarHBondContact SG-OG1 3.34Å; C40-T86 VanDerWaalsContact SG-OG1 3.42Å
41	P	55.2	Low	54.1	Low	14 Å²	14	94 Å²	94	9%	0.091	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-54.4	123.8	172.8	-25.4	34.1	0	0	0	111.7	L64 I68 T86	P41-L64 HydrophobicContact CB-CD1 3.64Å; P41-L64 HydrophobicContact CG-CD1 3.75Å; P41-I68 HydrophobicContact CG-CD1 4.31Å; P41-I68 HydrophobicContact CG-CG1 3.76Å; P41-T86 HydrophobicContact CB-CG2 4.41Å; P41-T86 HydrophobicContact CG-CG2 3.97Å
42	T	57.9	Low	57.3	Low	72 Å²	72	90.8 Å²	90.8	44%	0.442	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-92.8	161.2	176.2	59.4	0	0	0	0	110.9	C40 K44 S45 L46	C40-T42 PolarHBondContact O-N 3.37Å; T42-K44 PolarHBondContact O-N 2.97Å; T42-K44 VanDerWaalsContact O-N 3.08Å; T42-S45 PolarHBondContact N-OG 3.42Å; T42-S45 WeakPolarHBondContact O-CB 3.22Å; T42-S45 PolarHBondContact O-N 2.86Å; T42-S45 PolarHBondContact O-OG 3.38Å; T42-L46 PolarHBondContact O-N 3.5Å
43	T	56.6	Low	60.4	Low	108 Å²	108	87.2 Å²	87.2	66%	0.663	47%	0.474	S	S	*	.	H	α-helix	trans	-50.9	-34	172.9	-38.1	0	0	0	0	112.4	S45 L46 A47	T43-S45 PolarHBondContact O-N 3.09Å; T43-L46 PolarHBondContact O-N 3.01Å; T43-A47 PolarHBondContact O-N 3.11Å; T43-A47 VanDerWaalsContact O-N 3.16Å
44	K	58.1	Low	63.5	Low	176 Å²	176	88.9 Å²	88.9	77%	0.765	47%	0.467	S	S	*	.	H	α-helix	trans	-66	-32.5	175.2	-66.9	-176.8	180	176.2	0	113.7	T42 L46	T42-K44 PolarHBondContact O-N 2.97Å; T42-K44 VanDerWaalsContact O-N 3.08Å; K44-L46 VanDerWaalsContact C-N 3.3Å
45	S	60.5	Low	66.3	Low	20 Å²	20	87.4 Å²	87.4	14%	0.14	46%	0.459	C	S	.	.	H	α-helix	trans	-70.4	-30.1	177.4	70.9	0	0	0	0	112.2	T42 T43	T42-S45 PolarHBondContact N-OG 3.42Å; T42-S45 WeakPolarHBondContact O-CB 3.22Å; T42-S45 PolarHBondContact O-N 2.86Å; T42-S45 PolarHBondContact O-OG 3.38Å; T43-S45 PolarHBondContact O-N 3.09Å
46	L	67.9	Low	69.2	Low	29 Å²	29	87.3 Å²	87.3	15%	0.152	45%	0.445	C	S	.	.	H	α-helix	trans	-82.2	-30.9	-179.2	-63.9	163	0	0	0	112.1	T42 T43 K44 R48 L49 L64	T42-L46 PolarHBondContact O-N 3.5Å; T43-L46 PolarHBondContact O-N 3.01Å; K44-L46 VanDerWaalsContact C-N 3.3Å; L46-R48 PolarHBondContact O-N 3.49Å; L46-L49 HydrophobicContact CD2-CD1 4.03Å; L46-L49 VanDerWaalsContact O-CB 3.28Å; L46-L49 WeakPolarHBondContact O-CB 3.42Å; L46-L49 PolarHBondContact O-N 3.35Å; L46-L64 HydrophobicContact CD2-CD1 4.19Å; L46-L64 HydrophobicContact CD2-CD2 3.84Å
47	A	76.9	Confident	72	Confident	63 Å²	63	79 Å²	79	52%	0.521	41%	0.406	S	S	.	.	H	α-helix	trans	-57.8	-30.5	175.4	0	0	0	0	0	113.3	T43 L49 C50	T43-A47 PolarHBondContact O-N 3.11Å; T43-A47 VanDerWaalsContact O-N 3.16Å; A47-L49 VanDerWaalsContact C-N 3.27Å; A47-L49 PolarHBondContact O-N 3.41Å; A47-C50 VanDerWaalsContact O-CB 3.3Å; A47-C50 WeakPolarHBondContact O-CB 3.32Å; A47-C50 PolarHBondContact O-N 2.69Å; A47-C50 VanDerWaalsContact O-N 3.16Å
48	R	85.2	Confident	74.7	Confident	158 Å²	158	77 Å²	77	60%	0.596	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-72.5	-19	177.8	-65.3	-173.6	-180	178.5	-1.1	113.5	L46 C50 S51 A60	L46-R48 PolarHBondContact O-N 3.49Å; R48-C50 PolarHBondContact O-N 3.23Å; R48-S51 WeakPolarHBondContact O-CB 3.3Å; R48-S51 PolarHBondContact O-N 2.71Å; R48-A60 HydrophobicContact CB-CB 3.51Å
49	L	87.3	Confident	76.9	Confident	2 Å²	2	71.6 Å²	71.6	1%	0.01	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-65.7	-17.2	171.2	-62.7	178.3	0	0	0	112.2	L46 A47 S51 R57 A60 L61 L64 L93 V102	L46-L49 HydrophobicContact CD2-CD1 4.03Å; L46-L49 VanDerWaalsContact O-CB 3.28Å; L46-L49 WeakPolarHBondContact O-CB 3.42Å; L46-L49 PolarHBondContact O-N 3.35Å; A47-L49 VanDerWaalsContact C-N 3.27Å; A47-L49 PolarHBondContact O-N 3.41Å; L49-S51 VanDerWaalsContact C-N 3.33Å; L49-R57 WeakPolarHBondContact O-CD 3.35Å; L49-R57 WeakPolarHBondContact O-CG 3.42Å; L49-A60 HydrophobicContact CD2-CB 4.25Å; L49-L61 HydrophobicContact CD2-CB 3.9Å; L49-L61 HydrophobicContact CD2-CD1 3.9Å; L49-L64 HydrophobicContact CD1-CD2 3.88Å; L49-L93 HydrophobicContact CD1-CD1 3.91Å; L49-V102 HydrophobicContact CD1-CG1 4.41Å
50	C	89.1	Confident	78.8	Confident	23 Å²	23	69 Å²	69	16%	0.155	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-89.7	3.3	178.5	-50.8	0	0	0	0	112.6	A47 R48 R52 L152 G155	A47-C50 VanDerWaalsContact O-CB 3.3Å; A47-C50 WeakPolarHBondContact O-CB 3.32Å; A47-C50 PolarHBondContact O-N 2.69Å; A47-C50 VanDerWaalsContact O-N 3.16Å; R48-C50 PolarHBondContact O-N 3.23Å; C50-R52 PolarHBondContact O-N 2.77Å; C50-L152 WeakPolarHBondContact CB-O 3.37Å; C50-L152 WeakPolarHBondContact O-CD2 3.5Å; C50-G155 WeakPolarHBondContact SG-CA 3.44Å
51	S	90.4	Very high	80.8	Confident	22 Å²	22	67.8 Å²	67.8	15%	0.154	35%	0.352	C	S	.	.			trans	-62.2	135.3	178	-173.7	0	0	0	0	111.1	R48 L49 D53 E56 R57	R48-S51 WeakPolarHBondContact O-CB 3.3Å; R48-S51 PolarHBondContact O-N 2.71Å; L49-S51 VanDerWaalsContact C-N 3.33Å; S51-D53 PolarHBondContact O-N 3.14Å; S51-D53 PolarHBondContact OG-N 3.49Å; S51-D53 VanDerWaalsContact OG-N 3.14Å; S51-E56 PolarHBondContact OG-OE2 2.83Å; S51-R57 PolarHBondContact O-NH1 2.93Å
52	R	92.3	Very high	82.5	Confident	120 Å²	120	73 Å²	73	45%	0.453	38%	0.375	S	S	.	.	S	Bend	trans	-68.1	-24.8	171.1	-64.4	-176.6	-176.6	-99	-2.1	111.4	C50 E149 L152	C50-R52 PolarHBondContact O-N 2.77Å; R52-E149 IonicContact CZ-OE1 3.83Å; R52-E149 VanDerWaalsContact CZ-OE1 3.27Å; R52-E149 IonicContact CZ-OE2 3.52Å; R52-E149 VanDerWaalsContact NH1-CD 3.31Å; R52-E149 IonicContact NH1-OE1 3.65Å; R52-E149 PolarHBondContact NH1-OE1 2.93Å; R52-E149 IonicContact NH1-OE2 3.27Å; R52-E149 PolarHBondContact NH1-OE2 3.36Å; R52-E149 IonicContact NH2-OE1 3.48Å; R52-E149 PolarHBondContact NH2-OE1 3.47Å; R52-E149 IonicContact NH2-OE2 2.78Å; R52-L152 HydrophobicContact CG-CD1 4.32Å
53	D	91.8	Very high	84.1	Confident	76 Å²	76	74.5 Å²	74.5	41%	0.406	38%	0.375	S	S	.	.	S	Bend	trans	-75.4	123.4	173	-171.9	-36.8	0	0	0	109.7	S51 D55 E56 R57	S51-D53 PolarHBondContact O-N 3.14Å; S51-D53 PolarHBondContact OG-N 3.49Å; S51-D53 VanDerWaalsContact OG-N 3.14Å; D53-D55 PolarHBondContact OD1-N 3.35Å; D53-E56 HydrophobicContact CB-CB 3.95Å; D53-E56 HydrophobicContact CB-CG 3.8Å; D53-E56 PolarHBondContact OD1-N 3.21Å; D53-R57 WeakPolarHBondContact O-CB 3.5Å; D53-R57 PolarHBondContact O-N 2.68Å; D53-R57 VanDerWaalsContact O-N 3.08Å
54	K	90.7	Very high	85.5	Confident	152 Å²	152	69.6 Å²	69.6	66%	0.661	35%	0.345	S	S	*	.	H	α-helix	trans	-68.1	-35.9	-178.3	-63.3	-169.5	178.4	-179.5	0	112.2	R57 A58	K54-R57 PolarHBondContact O-N 3.07Å; K54-A58 WeakPolarHBondContact O-CB 3.43Å; K54-A58 PolarHBondContact O-N 2.89Å
55	D	91.9	Very high	87	Confident	123 Å²	123	61.3 Å²	61.3	66%	0.658	31%	0.309	S	S	*	.	H	α-helix	trans	-76	-39.8	-177.2	-65.1	-25.8	0	0	0	110.4	D53 R57 A58 T59	D53-D55 PolarHBondContact OD1-N 3.35Å; D55-R57 VanDerWaalsContact C-N 3.33Å; D55-R57 PolarHBondContact O-N 3.26Å; D55-A58 PolarHBondContact O-N 3.26Å; D55-T59 WeakPolarHBondContact O-CB 3.33Å; D55-T59 PolarHBondContact O-N 3.44Å; D55-T59 PolarHBondContact O-OG1 3.35Å
56	E	90.6	Very high	88.3	Confident	115 Å²	115	66.1 Å²	66.1	54%	0.537	33%	0.329	S	S	.	.	H	α-helix	trans	-61.2	-43.5	171.5	-69	-171.5	159.6	0	0	111.6	S51 D53 T59 A60	S51-E56 PolarHBondContact OG-OE2 2.83Å; D53-E56 HydrophobicContact CB-CB 3.95Å; D53-E56 HydrophobicContact CB-CG 3.8Å; D53-E56 PolarHBondContact OD1-N 3.21Å; E56-T59 PolarHBondContact O-N 2.93Å; E56-A60 WeakPolarHBondContact O-CB 3.47Å; E56-A60 PolarHBondContact O-N 3.49Å
57	R	92.1	Very high	89.1	Confident	17 Å²	17	68.4 Å²	68.4	6%	0.064	34%	0.338	C	S	.	.	H	α-helix	trans	-65.8	-42.7	178.5	-174.9	173.5	67.1	-99	1.6	112	L49 S51 D53 K54 D55 A60 L61 E101	L49-R57 WeakPolarHBondContact O-CD 3.35Å; L49-R57 WeakPolarHBondContact O-CG 3.42Å; S51-R57 PolarHBondContact O-NH1 2.93Å; D53-R57 WeakPolarHBondContact O-CB 3.5Å; D53-R57 PolarHBondContact O-N 2.68Å; D53-R57 VanDerWaalsContact O-N 3.08Å; K54-R57 PolarHBondContact O-N 3.07Å; D55-R57 VanDerWaalsContact C-N 3.33Å; D55-R57 PolarHBondContact O-N 3.26Å; R57-A60 WeakPolarHBondContact O-CB 3.35Å; R57-A60 PolarHBondContact O-N 2.54Å; R57-L61 WeakPolarHBondContact O-CB 2.97Å; R57-L61 PolarHBondContact O-N 2.99Å; R57-E101 IonicContact CZ-OE1 3.34Å; R57-E101 IonicContact NE-OE1 3Å; R57-E101 PolarHBondContact NE-OE1 2.91Å; R57-E101 IonicContact NH2-OE1 2.78Å; R57-E101 PolarHBondContact NH2-OE1 3.47Å
58	A	90.4	Very high	89.5	Confident	46 Å²	46	65.4 Å²	65.4	38%	0.38	31%	0.313	S	S	.	.	H	α-helix	trans	-59.5	-47.9	174.8	0	0	0	0	0	110.9	K54 D55 A60 L61 E62	K54-A58 WeakPolarHBondContact O-CB 3.43Å; K54-A58 PolarHBondContact O-N 2.89Å; D55-A58 PolarHBondContact O-N 3.26Å; A58-A60 VanDerWaalsContact C-N 3.29Å; A58-A60 PolarHBondContact O-N 2.85Å; A58-L61 PolarHBondContact O-N 2.92Å; A58-L61 VanDerWaalsContact O-N 3.14Å; A58-E62 WeakPolarHBondContact O-CG 3.5Å; A58-E62 PolarHBondContact O-N 2.99Å
59	T	92.1	Very high	89.5	Confident	60 Å²	60	60.1 Å²	60.1	37%	0.368	30%	0.297	S	S	.	.	H	α-helix	trans	-59.1	-39.9	175.6	-56.4	0	0	0	0	112	D55 E56 K63	D55-T59 WeakPolarHBondContact O-CB 3.33Å; D55-T59 PolarHBondContact O-N 3.44Å; D55-T59 PolarHBondContact O-OG1 3.35Å; E56-T59 PolarHBondContact O-N 2.93Å; T59-K63 HydrophobicContact CG2-CD 4.24Å; T59-K63 WeakPolarHBondContact O-CB 3.38Å; T59-K63 VanDerWaalsContact O-CG 3.31Å; T59-K63 WeakPolarHBondContact O-CG 3.11Å; T59-K63 PolarHBondContact O-N 3.41Å
60	A	90.2	Very high	89.4	Confident	7 Å²	7	63.7 Å²	63.7	6%	0.058	32%	0.318	C	S	.	.	H	α-helix	trans	-66.5	-40.6	177	0	0	0	0	0	112.1	R48 L49 E56 R57 A58 K63 L64	R48-A60 HydrophobicContact CB-CB 3.51Å; L49-A60 HydrophobicContact CD2-CB 4.25Å; E56-A60 WeakPolarHBondContact O-CB 3.47Å; E56-A60 PolarHBondContact O-N 3.49Å; R57-A60 WeakPolarHBondContact O-CB 3.35Å; R57-A60 PolarHBondContact O-N 2.54Å; A58-A60 VanDerWaalsContact C-N 3.29Å; A58-A60 PolarHBondContact O-N 2.85Å; A60-K63 PolarHBondContact O-N 3.15Å; A60-L64 WeakPolarHBondContact O-CB 3.31Å; A60-L64 PolarHBondContact O-N 3.38Å
61	L	90.6	Very high	89	Confident	21 Å²	21	63 Å²	63	11%	0.11	31%	0.314	C	S	.	.	H	α-helix	trans	-67.2	-40	178.1	-172.5	62.5	0	0	0	112	L49 R57 A58 L64 S65 R105	L49-L61 HydrophobicContact CD2-CB 3.9Å; L49-L61 HydrophobicContact CD2-CD1 3.9Å; R57-L61 WeakPolarHBondContact O-CB 2.97Å; R57-L61 PolarHBondContact O-N 2.99Å; A58-L61 PolarHBondContact O-N 2.92Å; A58-L61 VanDerWaalsContact O-N 3.14Å; L61-L64 PolarHBondContact O-N 3.05Å; L61-S65 WeakPolarHBondContact O-CB 3.29Å; L61-S65 PolarHBondContact O-N 3.3Å; L61-S65 PolarHBondContact O-OG 3.27Å; L61-R105 HydrophobicContact CD1-CB 3.99Å; L61-R105 HydrophobicContact CD1-CG 3.85Å; L61-R105 HydrophobicContact CD2-CB 3.86Å; L61-R105 HydrophobicContact CD2-CG 4.1Å; L61-R105 HydrophobicContact CG-CB 4.13Å; L61-R105 HydrophobicContact CG-CG 3.88Å
62	E	90.9	Very high	88.4	Confident	123 Å²	123	62.9 Å²	62.9	58%	0.575	31%	0.311	S	S	*	.	H	α-helix	trans	-61.1	-51.6	172.5	-74.2	176.4	176.9	0	0	111.1	A58 L64 S65 E66	A58-E62 WeakPolarHBondContact O-CG 3.5Å; A58-E62 PolarHBondContact O-N 2.99Å; E62-L64 VanDerWaalsContact C-N 3.3Å; E62-L64 PolarHBondContact O-N 3.44Å; E62-S65 WeakPolarHBondContact O-CA 3.25Å; E62-S65 VanDerWaalsContact O-CB 3.28Å; E62-S65 WeakPolarHBondContact O-CB 3.29Å; E62-S65 PolarHBondContact O-N 3.44Å; E62-E66 WeakPolarHBondContact O-CG 3.32Å; E62-E66 PolarHBondContact O-N 2.81Å
63	K	89.6	Confident	87.4	Confident	103 Å²	103	64.4 Å²	64.4	45%	0.448	32%	0.323	S	S	.	.	H	α-helix	trans	-59	-39.9	177.5	-74.9	175.4	-179.1	175.7	0	112.9	T59 A60 S65 K67	T59-K63 HydrophobicContact CG2-CD 4.24Å; T59-K63 WeakPolarHBondContact O-CB 3.38Å; T59-K63 VanDerWaalsContact O-CG 3.31Å; T59-K63 WeakPolarHBondContact O-CG 3.11Å; T59-K63 PolarHBondContact O-N 3.41Å; A60-K63 PolarHBondContact O-N 3.15Å; K63-S65 VanDerWaalsContact C-N 3.31Å; K63-K67 WeakPolarHBondContact O-CB 3.04Å; K63-K67 WeakPolarHBondContact O-CG 3.47Å; K63-K67 PolarHBondContact O-N 3.12Å; K63-K67 VanDerWaalsContact O-N 3.07Å
64	L	86.5	Confident	86.1	Confident	5 Å²	5	64.6 Å²	64.6	3%	0.026	32%	0.324	C	S	.	.	H	α-helix	trans	-62.3	-43.4	174.7	176.2	62.5	0	0	0	110.7	P41 L46 L49 A60 L61 E62 K67 I68	P41-L64 HydrophobicContact CB-CD1 3.64Å; P41-L64 HydrophobicContact CG-CD1 3.75Å; L46-L64 HydrophobicContact CD2-CD1 4.19Å; L46-L64 HydrophobicContact CD2-CD2 3.84Å; L49-L64 HydrophobicContact CD1-CD2 3.88Å; A60-L64 WeakPolarHBondContact O-CB 3.31Å; A60-L64 PolarHBondContact O-N 3.38Å; L61-L64 PolarHBondContact O-N 3.05Å; E62-L64 VanDerWaalsContact C-N 3.3Å; E62-L64 PolarHBondContact O-N 3.44Å; L64-K67 PolarHBondContact O-N 2.76Å; L64-I68 HydrophobicContact CD1-CD1 3.76Å; L64-I68 HydrophobicContact CD1-CG1 4.35Å; L64-I68 HydrophobicContact CG-CD1 3.87Å; L64-I68 WeakPolarHBondContact O-CG1 3.38Å; L64-I68 PolarHBondContact O-N 2.86Å
65	S	89.1	Confident	84.3	Confident	3 Å²	3	63 Å²	63	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-63.1	-48.6	178.9	-55.3	0	0	0	0	111.7	L61 E62 K63 K67 I68 L69 R105	L61-S65 WeakPolarHBondContact O-CB 3.29Å; L61-S65 PolarHBondContact O-N 3.3Å; L61-S65 PolarHBondContact O-OG 3.27Å; E62-S65 WeakPolarHBondContact O-CA 3.25Å; E62-S65 VanDerWaalsContact O-CB 3.28Å; E62-S65 WeakPolarHBondContact O-CB 3.29Å; E62-S65 PolarHBondContact O-N 3.44Å; K63-S65 VanDerWaalsContact C-N 3.31Å; S65-K67 VanDerWaalsContact C-N 3.35Å; S65-K67 PolarHBondContact O-N 3.14Å; S65-I68 PolarHBondContact O-N 2.84Å; S65-L69 WeakPolarHBondContact O-CB 3.46Å; S65-L69 VanDerWaalsContact O-CG 3.26Å; S65-L69 WeakPolarHBondContact O-CG 3.06Å; S65-L69 PolarHBondContact O-N 3.29Å; S65-R105 VanDerWaalsContact CB-NH2 3.31Å; S65-R105 PolarHBondContact OG-NE 3.3Å; S65-R105 PolarHBondContact OG-NH2 2.81Å
66	E	88.5	Confident	82.6	Confident	121 Å²	121	67 Å²	67	57%	0.565	33%	0.329	S	S	*	.	H	α-helix	trans	-57.5	-46.8	177	-71.7	175.4	172.8	0	0	111.4	E62 I68 L69 V70	E62-E66 WeakPolarHBondContact O-CG 3.32Å; E62-E66 PolarHBondContact O-N 2.81Å; E66-I68 VanDerWaalsContact C-N 3.33Å; E66-I68 PolarHBondContact O-N 3.01Å; E66-L69 PolarHBondContact O-N 2.7Å; E66-V70 WeakPolarHBondContact O-CB 3.35Å; E66-V70 VanDerWaalsContact O-CG2 3.28Å; E66-V70 WeakPolarHBondContact O-CG2 3.28Å; E66-V70 PolarHBondContact O-N 3.28Å
67	K	85.5	Confident	80.6	Confident	77 Å²	77	68.7 Å²	68.7	34%	0.335	35%	0.347	S	S	.	.	H	α-helix	trans	-59.5	-43.9	177.5	-76	-175.4	177.4	-150.6	0	112.5	K63 L64 S65 C71	K63-K67 WeakPolarHBondContact O-CB 3.04Å; K63-K67 WeakPolarHBondContact O-CG 3.47Å; K63-K67 PolarHBondContact O-N 3.12Å; K63-K67 VanDerWaalsContact O-N 3.07Å; L64-K67 PolarHBondContact O-N 2.76Å; S65-K67 VanDerWaalsContact C-N 3.35Å; S65-K67 PolarHBondContact O-N 3.14Å; K67-C71 PolarHBondContact O-N 2.99Å; K67-C71 VanDerWaalsContact O-N 3.08Å; K67-C71 PolarHBondContact O-SG 3.12Å
68	I	84.4	Confident	78.5	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-65.1	-46.4	178.3	-72.7	165.1	0	0	0	110.1	P41 L64 S65 E66 V70 C71 L72 L82 L90 L109	P41-I68 HydrophobicContact CG-CD1 4.31Å; P41-I68 HydrophobicContact CG-CG1 3.76Å; L64-I68 HydrophobicContact CD1-CD1 3.76Å; L64-I68 HydrophobicContact CD1-CG1 4.35Å; L64-I68 HydrophobicContact CG-CD1 3.87Å; L64-I68 WeakPolarHBondContact O-CG1 3.38Å; L64-I68 PolarHBondContact O-N 2.86Å; S65-I68 PolarHBondContact O-N 2.84Å; E66-I68 VanDerWaalsContact C-N 3.33Å; E66-I68 PolarHBondContact O-N 3.01Å; I68-V70 PolarHBondContact O-N 2.9Å; I68-C71 WeakPolarHBondContact O-CA 3.45Å; I68-C71 WeakPolarHBondContact O-CB 3.47Å; I68-C71 PolarHBondContact O-N 3.2Å; I68-C71 VanDerWaalsContact O-N 3.08Å; I68-L72 HydrophobicContact CG2-CD1 4.09Å; I68-L72 HydrophobicContact CG2-CG 4.44Å; I68-L72 VanDerWaalsContact O-CG 3.31Å; I68-L72 WeakPolarHBondContact O-CG 3.45Å; I68-L72 PolarHBondContact O-N 2.74Å; I68-L82 HydrophobicContact CB-CD2 4.49Å; I68-L82 HydrophobicContact CG1-CD2 4.26Å; I68-L82 HydrophobicContact CG2-CD1 4.02Å; I68-L82 HydrophobicContact CG2-CD2 4.16Å; I68-L90 HydrophobicContact CD1-CD1 3.91Å; I68-L90 HydrophobicContact CD1-CD2 3.98Å; I68-L90 HydrophobicContact CD1-CG 4.4Å; I68-L109 HydrophobicContact CB-CD2 4.38Å; I68-L109 HydrophobicContact CD1-CD1 3.84Å; I68-L109 HydrophobicContact CG2-CD2 4.07Å
69	L	85.3	Confident	76.8	Confident	47 Å²	47	72.3 Å²	72.3	25%	0.246	39%	0.386	C	S	.	.	H	α-helix	trans	-61.1	-42.8	178.5	-69.9	169.5	0	0	0	112	S65 E66 C71 L72 E73 I112	S65-L69 WeakPolarHBondContact O-CB 3.46Å; S65-L69 VanDerWaalsContact O-CG 3.26Å; S65-L69 WeakPolarHBondContact O-CG 3.06Å; S65-L69 PolarHBondContact O-N 3.29Å; E66-L69 PolarHBondContact O-N 2.7Å; L69-C71 VanDerWaalsContact C-N 3.28Å; L69-C71 PolarHBondContact O-N 2.8Å; L69-L72 HydrophobicContact CD2-CD1 4.41Å; L69-L72 WeakPolarHBondContact O-CA 3.28Å; L69-L72 WeakPolarHBondContact O-CB 3.45Å; L69-L72 PolarHBondContact O-N 2.66Å; L69-E73 WeakPolarHBondContact O-CG 3.48Å; L69-E73 PolarHBondContact O-N 3.16Å; L69-I112 HydrophobicContact CD2-CD1 4.1Å; L69-I112 HydrophobicContact CD2-CG2 4.02Å
70	V	85	Confident	75	Confident	77 Å²	77	72 Å²	72	47%	0.467	39%	0.389	S	S	.	.	H	α-helix	trans	-60	-38.9	173.6	170.5	0	0	0	0	111.4	E66 I68 L72 L74	E66-V70 WeakPolarHBondContact O-CB 3.35Å; E66-V70 VanDerWaalsContact O-CG2 3.28Å; E66-V70 WeakPolarHBondContact O-CG2 3.28Å; E66-V70 PolarHBondContact O-N 3.28Å; I68-V70 PolarHBondContact O-N 2.9Å; V70-L72 VanDerWaalsContact C-N 3.26Å; V70-L72 PolarHBondContact O-N 3.27Å; V70-L74 HydrophobicContact CG1-CD1 4.35Å; V70-L74 WeakPolarHBondContact O-CD1 3.19Å; V70-L74 VanDerWaalsContact O-CG 3.31Å; V70-L74 WeakPolarHBondContact O-CG 3.46Å; V70-L74 PolarHBondContact O-N 3Å
71	C	81.3	Confident	74.1	Confident	8 Å²	8	80.6 Å²	80.6	5%	0.054	42%	0.42	C	S	.	.	H	α-helix	trans	-65.4	-29.7	174	-64.8	0	0	0	0	112.8	I39 K67 I68 L69 L82	I39-C71 PolarHBondContact O-SG 3.02Å; K67-C71 PolarHBondContact O-N 2.99Å; K67-C71 VanDerWaalsContact O-N 3.08Å; K67-C71 PolarHBondContact O-SG 3.12Å; I68-C71 WeakPolarHBondContact O-CA 3.45Å; I68-C71 WeakPolarHBondContact O-CB 3.47Å; I68-C71 PolarHBondContact O-N 3.2Å; I68-C71 VanDerWaalsContact O-N 3.08Å; L69-C71 VanDerWaalsContact C-N 3.28Å; L69-C71 PolarHBondContact O-N 2.8Å; C71-L82 HydrophobicContact CB-CD2 3.8Å; C71-L82 HydrophobicContact CB-CG 4.31Å
72	L	76.8	Confident	73.5	Confident	20 Å²	20	80.1 Å²	80.1	11%	0.105	42%	0.417	C	S	.	.	H	α-helix	trans	-78.5	-36.7	179.3	-65.6	176.3	0	0	0	112.1	I68 L69 V70 L82 I112 A113 I118	I68-L72 HydrophobicContact CG2-CD1 4.09Å; I68-L72 HydrophobicContact CG2-CG 4.44Å; I68-L72 VanDerWaalsContact O-CG 3.31Å; I68-L72 WeakPolarHBondContact O-CG 3.45Å; I68-L72 PolarHBondContact O-N 2.74Å; L69-L72 HydrophobicContact CD2-CD1 4.41Å; L69-L72 WeakPolarHBondContact O-CA 3.28Å; L69-L72 WeakPolarHBondContact O-CB 3.45Å; L69-L72 PolarHBondContact O-N 2.66Å; V70-L72 VanDerWaalsContact C-N 3.26Å; V70-L72 PolarHBondContact O-N 3.27Å; L72-L82 HydrophobicContact CD2-CD1 3.57Å; L72-L82 HydrophobicContact CD2-CG 4.12Å; L72-L82 HydrophobicContact CG-CD1 4.18Å; L72-I112 HydrophobicContact CD1-CB 4.47Å; L72-I112 HydrophobicContact CD1-CG2 3.82Å; L72-A113 HydrophobicContact CD1-CB 4.35Å; L72-A113 HydrophobicContact CD2-CB 4.07Å; L72-I118 HydrophobicContact CD2-CD1 3.17Å; L72-I118 HydrophobicContact CD2-CG1 4.15Å
73	E	73.1	Confident	73.3	Confident	151 Å²	151	76.3 Å²	76.3	71%	0.706	40%	0.404	S	S	*	.	H	α-helix	trans	-78.7	-14.8	-176.4	-71	177.5	-178.8	0	0	114.7	L69 D75	L69-E73 WeakPolarHBondContact O-CG 3.48Å; L69-E73 PolarHBondContact O-N 3.16Å; E73-D75 VanDerWaalsContact C-N 3.33Å; E73-D75 PolarHBondContact O-N 3.39Å
74	L	62.7	Low	73.2	Confident	80 Å²	80	76.9 Å²	76.9	42%	0.419	41%	0.407	S	S	.	.			trans	-73.2	84.4	-179.8	-73.7	165.1	0	0	0	111.4	I39 V70	I39-L74 HydrophobicContact CG2-CD1 4.41Å; V70-L74 HydrophobicContact CG1-CD1 4.35Å; V70-L74 WeakPolarHBondContact O-CD1 3.19Å; V70-L74 VanDerWaalsContact O-CG 3.31Å; V70-L74 WeakPolarHBondContact O-CG 3.46Å; V70-L74 PolarHBondContact O-N 3Å
75	D	53.2	Low	73.2	Confident	120 Å²	120	83.3 Å²	83.3	64%	0.642	44%	0.437	S	S	*	.			trans	-68.4	131.9	-174.1	-143.6	10.6	0	0	0	113.4	E73	E73-D75 VanDerWaalsContact C-N 3.33Å; E73-D75 PolarHBondContact O-N 3.39Å
76	R	57.4	Low	73.1	Confident	205 Å²	205	83.8 Å²	83.8	77%	0.774	44%	0.439	S	S	*	.	S	Bend	trans	43.3	89.3	147.7	-65.5	162.2	-158	-140.5	-0.5	118.7
77	T	46.9	Very low	73.3	Confident	152 Å²	152	78.3 Å²	78.3	93%	0.933	41%	0.414	S	S	*	.	S	Bend	trans	155.5	47.9	132.8	52.3	0	0	0	0	110.6
78	G	49.7	Very low	73.6	Confident	84 Å²	84	75.3 Å²	75.3	87%	0.866	40%	0.402	S	S	*	.	S	Bend	trans	120.4	9	172.6	0	0	0	0	0	117
79	S	53.2	Low	73.9	Confident	55 Å²	55	77 Å²	77	39%	0.385	41%	0.409	S	S	.	.			trans	-84.1	154.7	174.9	-155.2	0	0	0	0	113	R81	S79-R81 PolarHBondContact O-N 3.22Å
80	A	54.7	Low	74.2	Confident	52 Å²	52	74.9 Å²	74.9	43%	0.43	40%	0.398	S	S	.	.			trans	-63.9	109.2	-167.4	0	0	0	0	0	113.2
81	R	70.9	Confident	74.6	Confident	188 Å²	188	71.8 Å²	71.8	71%	0.709	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-66	149.8	166.8	-59.7	179.4	90.2	-177.5	5	109.2	S79 S83	S79-R81 PolarHBondContact O-N 3.22Å; R81-S83 PolarHBondContact O-N 2.78Å
82	L	79.1	Confident	75.1	Confident	12 Å²	12	72.4 Å²	72.4	6%	0.063	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-49.6	130.2	172	-73.7	174.6	0	0	0	110.2	I68 C71 L72 T86 L87 A113 I118	I68-L82 HydrophobicContact CB-CD2 4.49Å; I68-L82 HydrophobicContact CG1-CD2 4.26Å; I68-L82 HydrophobicContact CG2-CD1 4.02Å; I68-L82 HydrophobicContact CG2-CD2 4.16Å; C71-L82 HydrophobicContact CB-CD2 3.8Å; C71-L82 HydrophobicContact CB-CG 4.31Å; L72-L82 HydrophobicContact CD2-CD1 3.57Å; L72-L82 HydrophobicContact CD2-CG 4.12Å; L72-L82 HydrophobicContact CG-CD1 4.18Å; L82-T86 HydrophobicContact CD2-CG2 4.3Å; L82-L87 HydrophobicContact CB-CD2 4.34Å; L82-L87 HydrophobicContact CB-CG 4.3Å; L82-L87 HydrophobicContact CD1-CD2 3.98Å; L82-A113 HydrophobicContact CD1-CB 4.22Å; L82-I118 HydrophobicContact CB-CD1 4.45Å; L82-I118 HydrophobicContact CD1-CD1 4.22Å; L82-I118 HydrophobicContact CG-CD1 4.39Å
83	S	85.6	Confident	75.9	Confident	42 Å²	42	71.7 Å²	71.7	29%	0.294	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-65.1	149.7	179.6	82.7	0	0	0	0	110.5	R81 E85 T86 L87	R81-S83 PolarHBondContact O-N 2.78Å; S83-E85 PolarHBondContact O-N 3.48Å; S83-E85 PolarHBondContact OG-N 2.75Å; S83-T86 PolarHBondContact O-N 2.92Å; S83-T86 VanDerWaalsContact O-N 3.16Å; S83-T86 WeakPolarHBondContact OG-CB 3.4Å; S83-T86 PolarHBondContact OG-N 3.25Å; S83-T86 PolarHBondContact OG-OG1 2.76Å; S83-L87 PolarHBondContact O-N 2.63Å; S83-L87 VanDerWaalsContact O-N 3.14Å
84	K	87.8	Confident	76.8	Confident	116 Å²	116	65.3 Å²	65.3	50%	0.504	35%	0.349	S	S	.	.	H	α-helix	trans	-53.1	-40.3	172.5	177.4	177.2	175.6	-173.6	0	111.4	L87 L88 Y308 F310	K84-L87 PolarHBondContact O-N 3.12Å; K84-L88 HydrophobicContact CG-CD1 4.12Å; K84-L88 VanDerWaalsContact O-CG 3.3Å; K84-L88 WeakPolarHBondContact O-CG 3.46Å; K84-L88 PolarHBondContact O-N 3.25Å; K84-Y308 WeakPolarHBondContact CE-OH 3.39Å; K84-Y308 PolarHBondContact NZ-OH 2.88Å; K84-F310 HydrophobicContact CD-CE2 4.27Å; K84-F310 HydrophobicContact CD-CZ 4.41Å; K84-F310 HydrophobicContact CG-CE2 4.1Å; K84-F310 HydrophobicContact CG-CZ 3.8Å
85	E	86.7	Confident	78.2	Confident	140 Å²	140	66.6 Å²	66.6	65%	0.654	35%	0.348	S	S	*	.	H	α-helix	trans	-64.1	-43.7	179.6	-172.8	178.7	177.5	0	0	112.1	S83 L87 L88 H89	S83-E85 PolarHBondContact O-N 3.48Å; S83-E85 PolarHBondContact OG-N 2.75Å; E85-L87 VanDerWaalsContact C-N 3.34Å; E85-L87 PolarHBondContact O-N 3.09Å; E85-L88 PolarHBondContact O-N 3.36Å; E85-H89 WeakPolarHBondContact O-CB 3.39Å; E85-H89 PolarHBondContact O-N 3.35Å
86	T	88.1	Confident	79.9	Confident	13 Å²	13	61.1 Å²	61.1	8%	0.08	32%	0.319	C	S	.	.	H	α-helix	trans	-59.9	-44.5	175.9	-53.9	0	0	0	0	111.3	C40 P41 L82 S83 H89 L90	C40-T86 PolarHBondContact SG-OG1 3.34Å; C40-T86 VanDerWaalsContact SG-OG1 3.42Å; P41-T86 HydrophobicContact CB-CG2 4.41Å; P41-T86 HydrophobicContact CG-CG2 3.97Å; L82-T86 HydrophobicContact CD2-CG2 4.3Å; S83-T86 PolarHBondContact O-N 2.92Å; S83-T86 VanDerWaalsContact O-N 3.16Å; S83-T86 WeakPolarHBondContact OG-CB 3.4Å; S83-T86 PolarHBondContact OG-N 3.25Å; S83-T86 PolarHBondContact OG-OG1 2.76Å; T86-H89 PolarHBondContact O-N 3.46Å; T86-L90 HydrophobicContact CG2-CD1 4.44Å; T86-L90 WeakPolarHBondContact O-CG 3.39Å; T86-L90 PolarHBondContact O-N 2.83Å
87	L	91.8	Very high	81.5	Confident	5 Å²	5	51.5 Å²	51.5	3%	0.026	28%	0.283	C	S	.	.	H	α-helix	trans	-64.1	-40.8	178.3	-68.3	172.8	0	0	0	112.4	L82 S83 K84 E85 H89 L90 L91 L110 I118 P121 F310	L82-L87 HydrophobicContact CB-CD2 4.34Å; L82-L87 HydrophobicContact CB-CG 4.3Å; L82-L87 HydrophobicContact CD1-CD2 3.98Å; S83-L87 PolarHBondContact O-N 2.63Å; S83-L87 VanDerWaalsContact O-N 3.14Å; K84-L87 PolarHBondContact O-N 3.12Å; E85-L87 VanDerWaalsContact C-N 3.34Å; E85-L87 PolarHBondContact O-N 3.09Å; L87-H89 VanDerWaalsContact C-N 3.34Å; L87-L90 PolarHBondContact O-N 3.05Å; L87-L91 WeakPolarHBondContact O-CB 3.28Å; L87-L91 PolarHBondContact O-N 3.22Å; L87-L110 HydrophobicContact CD2-CD2 4.38Å; L87-I118 HydrophobicContact CD1-CG2 3.99Å; L87-P121 HydrophobicContact CB-CG 3.89Å; L87-F310 HydrophobicContact CD1-CE1 4.21Å
88	L	92	Very high	83.7	Confident	15 Å²	15	44.3 Å²	44.3	8%	0.079	24%	0.239	C	C	.	.	H	α-helix	trans	-66.2	-37.7	175.4	-68.7	174.7	0	0	0	111.9	K84 E85 L91 R92 P121 D303 Y308	K84-L88 HydrophobicContact CG-CD1 4.12Å; K84-L88 VanDerWaalsContact O-CG 3.3Å; K84-L88 WeakPolarHBondContact O-CG 3.46Å; K84-L88 PolarHBondContact O-N 3.25Å; E85-L88 PolarHBondContact O-N 3.36Å; L88-L91 PolarHBondContact O-N 3.47Å; L88-R92 WeakPolarHBondContact O-CB 3.33Å; L88-R92 PolarHBondContact O-N 3.43Å; L88-P121 HydrophobicContact CD2-CB 3.78Å; L88-P121 HydrophobicContact CD2-CG 3.92Å; L88-D303 HydrophobicContact CB-CB 4.01Å; L88-Y308 HydrophobicContact CD1-CD1 4.34Å; L88-Y308 HydrophobicContact CD1-CE1 3.7Å; L88-Y308 HydrophobicContact CD1-CE2 4.31Å; L88-Y308 HydrophobicContact CD2-CD1 3.4Å; L88-Y308 VanDerWaalsContact CD2-CD1 3.4Å; L88-Y308 HydrophobicContact CD2-CD2 3.64Å; L88-Y308 HydrophobicContact CD2-CE1 3.63Å; L88-Y308 HydrophobicContact CD2-CE2 3.89Å; L88-Y308 HydrophobicContact CD2-CG 3.39Å; L88-Y308 HydrophobicContact CG-CE1 4.33Å
89	H	89.8	Confident	85.7	Confident	34 Å²	34	41 Å²	41	16%	0.157	20%	0.202	C	C	.	.	H	α-helix	trans	-64	-44.7	175.6	-163.5	102.4	0	0	0	111.8	E85 T86 L87 L91 R92 L93	E85-H89 WeakPolarHBondContact O-CB 3.39Å; E85-H89 PolarHBondContact O-N 3.35Å; T86-H89 PolarHBondContact O-N 3.46Å; L87-H89 VanDerWaalsContact C-N 3.34Å; H89-L91 VanDerWaalsContact C-N 3.34Å; H89-R92 PolarHBondContact CE1-NH2 3.2Å; H89-R92 PolarHBondContact NE2-NH2 3.5Å; H89-R92 VanDerWaalsContact NE2-NH2 3.15Å; H89-R92 WeakPolarHBondContact O-CB 3.17Å; H89-R92 PolarHBondContact O-N 3.08Å; H89-L93 WeakPolarHBondContact O-CG 3.44Å; H89-L93 PolarHBondContact O-N 3.14Å
90	L	92.2	Very high	87.6	Confident	4 Å²	4	43.7 Å²	43.7	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-62.2	-41.3	174.5	-71.3	171.9	0	0	0	111.5	I68 T86 L87 R92 L93 S94 A106 L109 L110	I68-L90 HydrophobicContact CD1-CD1 3.91Å; I68-L90 HydrophobicContact CD1-CD2 3.98Å; I68-L90 HydrophobicContact CD1-CG 4.4Å; T86-L90 HydrophobicContact CG2-CD1 4.44Å; T86-L90 WeakPolarHBondContact O-CG 3.39Å; T86-L90 PolarHBondContact O-N 2.83Å; L87-L90 PolarHBondContact O-N 3.05Å; L90-R92 VanDerWaalsContact C-N 3.32Å; L90-R92 PolarHBondContact O-N 2.84Å; L90-L93 PolarHBondContact O-N 3.05Å; L90-S94 WeakPolarHBondContact O-CB 3.46Å; L90-S94 PolarHBondContact O-N 3.06Å; L90-S94 PolarHBondContact O-OG 3.45Å; L90-A106 HydrophobicContact CD2-CB 4.28Å; L90-L109 HydrophobicContact CD1-CB 4.42Å; L90-L109 HydrophobicContact CD2-CD1 4.17Å; L90-L110 HydrophobicContact CB-CD1 4.21Å; L90-L110 HydrophobicContact CB-CD2 3.73Å; L90-L110 HydrophobicContact CB-CG 3.89Å; L90-L110 HydrophobicContact CD1-CD2 4.33Å
91	L	93.9	Very high	89.4	Confident	11 Å²	11	45 Å²	45	6%	0.058	21%	0.205	C	C	.	.	H	α-helix	trans	-59.9	-43	174.7	176.5	63.9	0	0	0	111.4	L87 L88 H89 S94 R95 L110 P121 A123 P302	L87-L91 WeakPolarHBondContact O-CB 3.28Å; L87-L91 PolarHBondContact O-N 3.22Å; L88-L91 PolarHBondContact O-N 3.47Å; H89-L91 VanDerWaalsContact C-N 3.34Å; L91-S94 PolarHBondContact O-OG 2.84Å; L91-R95 HydrophobicContact CD1-CG 4.12Å; L91-R95 WeakPolarHBondContact O-CB 3.49Å; L91-R95 WeakPolarHBondContact O-CG 3.42Å; L91-R95 PolarHBondContact O-N 2.72Å; L91-L110 HydrophobicContact CB-CD1 4.5Å; L91-P121 HydrophobicContact CB-CG 4.26Å; L91-P121 HydrophobicContact CD2-CB 3.92Å; L91-P121 HydrophobicContact CD2-CG 4.11Å; L91-A123 HydrophobicContact CD1-CB 4.35Å; L91-P302 HydrophobicContact CD2-CB 4.09Å; L91-P302 HydrophobicContact CG-CB 3.99Å
92	R	92.1	Very high	90.4	Very high	21 Å²	21	36.1 Å²	36.1	8%	0.079	17%	0.172	C	C	.	.	H	α-helix	trans	-63.9	-46.5	175.6	-175.6	-168.3	69.1	145.8	13	111.7	L88 H89 L90 S94 R95 S96 G155	L88-R92 WeakPolarHBondContact O-CB 3.33Å; L88-R92 PolarHBondContact O-N 3.43Å; H89-R92 PolarHBondContact CE1-NH2 3.2Å; H89-R92 PolarHBondContact NE2-NH2 3.5Å; H89-R92 VanDerWaalsContact NE2-NH2 3.15Å; H89-R92 WeakPolarHBondContact O-CB 3.17Å; H89-R92 PolarHBondContact O-N 3.08Å; L90-R92 VanDerWaalsContact C-N 3.32Å; L90-R92 PolarHBondContact O-N 2.84Å; R92-S94 PolarHBondContact O-N 3.39Å; R92-R95 PolarHBondContact O-N 3.32Å; R92-S96 PolarHBondContact O-N 2.96Å; R92-G155 PolarHBondContact NH2-O 3.44Å; R92-G155 VanDerWaalsContact NH2-O 3.16Å
93	L	92.4	Very high	91.1	Very high	5 Å²	5	37 Å²	37	3%	0.026	17%	0.174	C	C	.	.	H	α-helix	trans	-61.5	-43.2	178.8	-73.1	179.1	0	0	0	111.8	L49 H89 L90 R95 C97 V102 R103 A106 F151	L49-L93 HydrophobicContact CD1-CD1 3.91Å; H89-L93 WeakPolarHBondContact O-CG 3.44Å; H89-L93 PolarHBondContact O-N 3.14Å; L90-L93 PolarHBondContact O-N 3.05Å; L93-R95 PolarHBondContact O-N 3.08Å; L93-C97 HydrophobicContact CD2-CB 4.19Å; L93-C97 WeakPolarHBondContact O-CB 3.26Å; L93-C97 PolarHBondContact O-N 2.92Å; L93-V102 HydrophobicContact CB-CG1 4.45Å; L93-V102 HydrophobicContact CD1-CG1 4.22Å; L93-V102 HydrophobicContact CD2-CG1 4.16Å; L93-R103 WeakPolarHBondContact O-CG 3.28Å; L93-A106 HydrophobicContact CB-CB 3.78Å; L93-F151 HydrophobicContact CD2-CE2 3.9Å; L93-F151 HydrophobicContact CD2-CZ 4.02Å
94	S	93.5	Very high	91.6	Very high	18 Å²	18	39.8 Å²	39.8	13%	0.126	18%	0.184	C	C	.	.	H	α-helix	trans	-64.9	-26.8	179.7	64.8	0	0	0	0	113.3	L90 L91 R92 T107	L90-S94 WeakPolarHBondContact O-CB 3.46Å; L90-S94 PolarHBondContact O-N 3.06Å; L90-S94 PolarHBondContact O-OG 3.45Å; L91-S94 PolarHBondContact O-OG 2.84Å; R92-S94 PolarHBondContact O-N 3.39Å; S94-T107 WeakPolarHBondContact CB-OG1 3.35Å
95	R	90.4	Very high	91.9	Very high	106 Å²	106	37.8 Å²	37.8	40%	0.4	17%	0.173	S	C	.	.	H	α-helix	trans	-95.5	-42.4	-175	-61.3	-71.1	-79.3	157.8	1.1	113.5	L91 R92 L93 A125 S126 I139 P302	L91-R95 HydrophobicContact CD1-CG 4.12Å; L91-R95 WeakPolarHBondContact O-CB 3.49Å; L91-R95 WeakPolarHBondContact O-CG 3.42Å; L91-R95 PolarHBondContact O-N 2.72Å; R92-R95 PolarHBondContact O-N 3.32Å; L93-R95 PolarHBondContact O-N 3.08Å; R95-A125 PolarHBondContact NH2-O 2.83Å; R95-A125 VanDerWaalsContact NH2-O 3.14Å; R95-S126 PolarHBondContact NH2-O 2.64Å; R95-I139 WeakPolarHBondContact O-CD1 3.35Å; R95-P302 HydrophobicContact CB-CG 4.45Å
96	S	89.3	Confident	92.2	Very high	6 Å²	6	31.2 Å²	31.2	4%	0.042	14%	0.143	C	C	.	.	H	α-helix	trans	-121.2	-7.2	-164.8	-49.1	0	0	0	0	114.5	R92	R92-S96 PolarHBondContact O-N 2.96Å
97	C	91.7	Very high	92.6	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.02	16%	0.157	C	C	.	.			trans	-67.5	130.8	179.6	-175.1	0	0	0	0	110.6	L93 L99 V102 R103 F151	L93-C97 HydrophobicContact CD2-CB 4.19Å; L93-C97 WeakPolarHBondContact O-CB 3.26Å; L93-C97 PolarHBondContact O-N 2.92Å; C97-L99 VanDerWaalsContact C-N 3.26Å; C97-L99 PolarHBondContact O-N 3.24Å; C97-V102 HydrophobicContact CB-CG1 4.38Å; C97-R103 HydrophobicContact CB-CG 3.76Å; C97-R103 WeakPolarHBondContact O-CD 3.29Å; C97-R103 WeakPolarHBondContact O-CG 3.42Å; C97-R103 PolarHBondContact O-NH1 2.92Å; C97-F151 HydrophobicContact CB-CE2 4.43Å; C97-F151 VanDerWaalsContact SG-CZ 3.52Å
98	P	92.3	Very high	92.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-75	-16.5	-179.8	31.5	-37.8	0	0	0	113.9	R103 I139 L147 V148 F151 V157	P98-R103 PolarHBondContact O-NH1 3.02Å; P98-I139 HydrophobicContact CB-CG2 4.06Å; P98-L147 HydrophobicContact CB-CB 4.04Å; P98-L147 WeakPolarHBondContact CG-O 3.48Å; P98-V148 HydrophobicContact CB-CG2 3.75Å; P98-V148 HydrophobicContact CG-CB 4.44Å; P98-V148 HydrophobicContact CG-CG2 4.09Å; P98-F151 HydrophobicContact CG-CB 3.44Å; P98-F151 VanDerWaalsContact CG-CB 3.44Å; P98-F151 HydrophobicContact CG-CG 3.98Å; P98-V157 HydrophobicContact CG-CG2 4.08Å
99	L	92.3	Very high	92.8	Very high	16 Å²	16	36.4 Å²	36.4	8%	0.084	17%	0.17	C	C	.	.			trans	-85	115.5	177.1	-61.6	173.7	0	0	0	110.4	C97 E101 V102 R103 V148 F151 L152	C97-L99 VanDerWaalsContact C-N 3.26Å; C97-L99 PolarHBondContact O-N 3.24Å; L99-E101 VanDerWaalsContact C-N 3.31Å; L99-E101 PolarHBondContact O-N 3.5Å; L99-V102 HydrophobicContact CB-CB 4.19Å; L99-V102 HydrophobicContact CB-CG2 3.91Å; L99-V102 HydrophobicContact CD1-CG2 4.13Å; L99-V102 PolarHBondContact O-N 3.28Å; L99-R103 PolarHBondContact O-N 3.15Å; L99-V148 HydrophobicContact CD2-CG1 3.95Å; L99-V148 HydrophobicContact CD2-CG2 4.17Å; L99-F151 HydrophobicContact CD1-CD1 3.79Å; L99-F151 HydrophobicContact CD1-CE1 3.77Å; L99-F151 HydrophobicContact CG-CD1 4.3Å; L99-L152 HydrophobicContact CD1-CD2 4.22Å
100	Q	92.3	Very high	93	Very high	110 Å²	110	35.5 Å²	35.5	51%	0.514	17%	0.166	S	C	.	.	H	α-helix	trans	-60.7	-41	-174.7	-173.6	179.6	15.5	0	0	112	V102 R103 M104	Q100-V102 VanDerWaalsContact C-N 3.31Å; Q100-V102 PolarHBondContact O-N 3.21Å; Q100-R103 PolarHBondContact O-N 3.07Å; Q100-M104 HydrophobicContact CG-CG 4.21Å; Q100-M104 WeakPolarHBondContact O-CB 3.43Å; Q100-M104 VanDerWaalsContact O-CG 3.27Å; Q100-M104 WeakPolarHBondContact O-CG 3.5Å; Q100-M104 PolarHBondContact O-N 3.3Å
101	E	92.6	Very high	93.1	Very high	81 Å²	81	38.1 Å²	38.1	38%	0.379	18%	0.184	S	C	.	.	H	α-helix	trans	-61.1	-40	179.3	68.6	-81.2	-161.3	0	0	112.2	R57 L99 R105	R57-E101 IonicContact CZ-OE1 3.34Å; R57-E101 IonicContact NE-OE1 3Å; R57-E101 PolarHBondContact NE-OE1 2.91Å; R57-E101 IonicContact NH2-OE1 2.78Å; R57-E101 PolarHBondContact NH2-OE1 3.47Å; L99-E101 VanDerWaalsContact C-N 3.31Å; L99-E101 PolarHBondContact O-N 3.5Å; E101-R105 WeakPolarHBondContact O-CB 3.34Å; E101-R105 PolarHBondContact O-N 2.88Å; E101-R105 VanDerWaalsContact O-N 3.09Å
102	V	93	Very high	93	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-71.3	-42.4	178.4	-179.6	0	0	0	0	110.2	L49 L93 C97 L99 Q100 A106	L49-V102 HydrophobicContact CD1-CG1 4.41Å; L93-V102 HydrophobicContact CB-CG1 4.45Å; L93-V102 HydrophobicContact CD1-CG1 4.22Å; L93-V102 HydrophobicContact CD2-CG1 4.16Å; C97-V102 HydrophobicContact CB-CG1 4.38Å; L99-V102 HydrophobicContact CB-CB 4.19Å; L99-V102 HydrophobicContact CB-CG2 3.91Å; L99-V102 HydrophobicContact CD1-CG2 4.13Å; L99-V102 PolarHBondContact O-N 3.28Å; Q100-V102 VanDerWaalsContact C-N 3.31Å; Q100-V102 PolarHBondContact O-N 3.21Å; V102-A106 VanDerWaalsContact O-CB 3.3Å; V102-A106 WeakPolarHBondContact O-CB 3.16Å; V102-A106 PolarHBondContact O-N 2.86Å
103	R	93.8	Very high	92.8	Very high	30 Å²	30	39 Å²	39	11%	0.113	19%	0.19	C	C	.	.	H	α-helix	trans	-61.2	-49.1	176.9	-71.7	-157.7	-57.1	-77.9	-6.4	112.4	L93 C97 P98 L99 Q100 R105 A106 T107 E140	L93-R103 WeakPolarHBondContact O-CG 3.28Å; C97-R103 HydrophobicContact CB-CG 3.76Å; C97-R103 WeakPolarHBondContact O-CD 3.29Å; C97-R103 WeakPolarHBondContact O-CG 3.42Å; C97-R103 PolarHBondContact O-NH1 2.92Å; P98-R103 PolarHBondContact O-NH1 3.02Å; L99-R103 PolarHBondContact O-N 3.15Å; Q100-R103 PolarHBondContact O-N 3.07Å; R103-R105 VanDerWaalsContact C-N 3.34Å; R103-A106 PolarHBondContact O-N 2.77Å; R103-T107 PolarHBondContact O-N 2.65Å; R103-T107 PolarHBondContact O-OG1 2.94Å; R103-E140 IonicContact CZ-OE1 3.73Å; R103-E140 IonicContact NH2-OE1 2.63Å; R103-E140 PolarHBondContact NH2-OE1 2.92Å
104	M	95	Very high	92.7	Very high	101 Å²	101	43.6 Å²	43.6	50%	0.498	21%	0.211	S	C	.	.	H	α-helix	trans	-60.4	-48.1	-178.9	-72.5	-59.5	-60.4	0	0	109.9	Q100 A106 T107 E108	Q100-M104 HydrophobicContact CG-CG 4.21Å; Q100-M104 WeakPolarHBondContact O-CB 3.43Å; Q100-M104 VanDerWaalsContact O-CG 3.27Å; Q100-M104 WeakPolarHBondContact O-CG 3.5Å; Q100-M104 PolarHBondContact O-N 3.3Å; M104-A106 PolarHBondContact O-N 3.4Å; M104-T107 WeakPolarHBondContact O-CB 3.3Å; M104-T107 PolarHBondContact O-N 2.76Å; M104-T107 VanDerWaalsContact O-N 3.14Å; M104-E108 WeakPolarHBondContact O-CG 3.27Å; M104-E108 PolarHBondContact O-N 3.44Å
105	R	94.5	Very high	92.6	Very high	73 Å²	73	50.1 Å²	50.1	28%	0.275	24%	0.24	S	C	.	.	H	α-helix	trans	-65.9	-40.1	-179.7	-170.4	55.7	170.1	178.4	-1.2	113.2	L61 S65 E101 R103 T107 E108 L109	L61-R105 HydrophobicContact CD1-CB 3.99Å; L61-R105 HydrophobicContact CD1-CG 3.85Å; L61-R105 HydrophobicContact CD2-CB 3.86Å; L61-R105 HydrophobicContact CD2-CG 4.1Å; L61-R105 HydrophobicContact CG-CB 4.13Å; L61-R105 HydrophobicContact CG-CG 3.88Å; S65-R105 VanDerWaalsContact CB-NH2 3.31Å; S65-R105 PolarHBondContact OG-NE 3.3Å; S65-R105 PolarHBondContact OG-NH2 2.81Å; E101-R105 WeakPolarHBondContact O-CB 3.34Å; E101-R105 PolarHBondContact O-N 2.88Å; E101-R105 VanDerWaalsContact O-N 3.09Å; R103-R105 VanDerWaalsContact C-N 3.34Å; R105-T107 VanDerWaalsContact C-N 3.28Å; R105-T107 PolarHBondContact O-N 2.83Å; R105-E108 VanDerWaalsContact CD-OE2 3.24Å; R105-E108 WeakPolarHBondContact CD-OE2 3.42Å; R105-E108 IonicContact CZ-OE2 2.85Å; R105-E108 IonicContact NE-OE2 3.68Å; R105-E108 IonicContact NH1-OE2 3.83Å; R105-E108 PolarHBondContact NH1-OE2 3.22Å; R105-E108 PolarHBondContact O-N 2.88Å; R105-L109 HydrophobicContact CG-CD1 4.22Å; R105-L109 VanDerWaalsContact O-CG 3.29Å; R105-L109 WeakPolarHBondContact O-CG 3.22Å; R105-L109 PolarHBondContact O-N 3.38Å
106	A	94	Very high	92.4	Very high	3 Å²	3	51 Å²	51	3%	0.025	25%	0.249	C	C	.	.	H	α-helix	trans	-62	-37.5	174.1	0	0	0	0	0	111.8	L90 L93 V102 R103 M104 L110	L90-A106 HydrophobicContact CD2-CB 4.28Å; L93-A106 HydrophobicContact CB-CB 3.78Å; V102-A106 VanDerWaalsContact O-CB 3.3Å; V102-A106 WeakPolarHBondContact O-CB 3.16Å; V102-A106 PolarHBondContact O-N 2.86Å; R103-A106 PolarHBondContact O-N 2.77Å; M104-A106 PolarHBondContact O-N 3.4Å; A106-L110 WeakPolarHBondContact O-CD1 3.43Å; A106-L110 VanDerWaalsContact O-CG 3.27Å; A106-L110 WeakPolarHBondContact O-CG 3.47Å; A106-L110 PolarHBondContact O-N 2.91Å; A106-L110 VanDerWaalsContact O-N 3.13Å
107	T	95.6	Very high	92.2	Very high	59 Å²	59	53.5 Å²	53.5	36%	0.362	28%	0.275	S	S	.	.	H	α-helix	trans	-63.7	-47.1	174.6	-54.1	0	0	0	0	111.2	S94 R103 M104 R105 L109 L110 C111	S94-T107 WeakPolarHBondContact CB-OG1 3.35Å; R103-T107 PolarHBondContact O-N 2.65Å; R103-T107 PolarHBondContact O-OG1 2.94Å; M104-T107 WeakPolarHBondContact O-CB 3.3Å; M104-T107 PolarHBondContact O-N 2.76Å; M104-T107 VanDerWaalsContact O-N 3.14Å; R105-T107 VanDerWaalsContact C-N 3.28Å; R105-T107 PolarHBondContact O-N 2.83Å; T107-L109 PolarHBondContact O-N 3.43Å; T107-L110 PolarHBondContact O-N 3Å; T107-C111 PolarHBondContact O-N 3.09Å; T107-C111 PolarHBondContact O-SG 3.18Å; T107-C111 VanDerWaalsContact O-SG 3.34Å
108	E	95.6	Very high	92	Very high	82 Å²	82	54.5 Å²	54.5	38%	0.383	28%	0.28	S	S	.	.	H	α-helix	trans	-57.9	-47.5	176.6	-71.2	169.1	-171.4	0	0	111.9	M104 R105 L110 C111 I112	M104-E108 WeakPolarHBondContact O-CG 3.27Å; M104-E108 PolarHBondContact O-N 3.44Å; R105-E108 VanDerWaalsContact CD-OE2 3.24Å; R105-E108 WeakPolarHBondContact CD-OE2 3.42Å; R105-E108 IonicContact CZ-OE2 2.85Å; R105-E108 IonicContact NE-OE2 3.68Å; R105-E108 IonicContact NH1-OE2 3.83Å; R105-E108 PolarHBondContact NH1-OE2 3.22Å; R105-E108 PolarHBondContact O-N 2.88Å; E108-L110 VanDerWaalsContact C-N 3.3Å; E108-L110 PolarHBondContact O-N 2.81Å; E108-C111 WeakPolarHBondContact O-CB 3.48Å; E108-C111 PolarHBondContact O-N 3.23Å; E108-C111 VanDerWaalsContact O-N 3.1Å; E108-I112 WeakPolarHBondContact O-CG1 3.32Å; E108-I112 PolarHBondContact O-N 3.28Å
109	L	93	Very high	91.9	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-63.4	-36	-179.5	-68.9	169	0	0	0	112.5	I68 L90 R105 T107 A113	I68-L109 HydrophobicContact CB-CD2 4.38Å; I68-L109 HydrophobicContact CD1-CD1 3.84Å; I68-L109 HydrophobicContact CG2-CD2 4.07Å; L90-L109 HydrophobicContact CD1-CB 4.42Å; L90-L109 HydrophobicContact CD2-CD1 4.17Å; R105-L109 HydrophobicContact CG-CD1 4.22Å; R105-L109 VanDerWaalsContact O-CG 3.29Å; R105-L109 WeakPolarHBondContact O-CG 3.22Å; R105-L109 PolarHBondContact O-N 3.38Å; T107-L109 PolarHBondContact O-N 3.43Å; L109-A113 WeakPolarHBondContact O-CB 3.47Å; L109-A113 PolarHBondContact O-N 3.09Å
110	L	93.4	Very high	91.9	Very high	15 Å²	15	58.8 Å²	58.8	8%	0.079	30%	0.3	C	S	.	.	H	α-helix	trans	-67	-40.3	172.8	-70.7	165.8	0	0	0	111.7	L87 L90 L91 A106 T107 E108 A113 Q114 V120	L87-L110 HydrophobicContact CD2-CD2 4.38Å; L90-L110 HydrophobicContact CB-CD1 4.21Å; L90-L110 HydrophobicContact CB-CD2 3.73Å; L90-L110 HydrophobicContact CB-CG 3.89Å; L90-L110 HydrophobicContact CD1-CD2 4.33Å; L91-L110 HydrophobicContact CB-CD1 4.5Å; A106-L110 WeakPolarHBondContact O-CD1 3.43Å; A106-L110 VanDerWaalsContact O-CG 3.27Å; A106-L110 WeakPolarHBondContact O-CG 3.47Å; A106-L110 PolarHBondContact O-N 2.91Å; A106-L110 VanDerWaalsContact O-N 3.13Å; T107-L110 PolarHBondContact O-N 3Å; E108-L110 VanDerWaalsContact C-N 3.3Å; E108-L110 PolarHBondContact O-N 2.81Å; L110-A113 PolarHBondContact O-N 3.32Å; L110-Q114 PolarHBondContact O-N 3.27Å; L110-V120 HydrophobicContact CB-CG1 4.02Å; L110-V120 HydrophobicContact CD2-CG1 3.36Å; L110-V120 HydrophobicContact CG-CG1 4.24Å
111	C	93.7	Very high	91.9	Very high	59 Å²	59	53.7 Å²	53.7	40%	0.399	28%	0.277	S	S	.	.	H	α-helix	trans	-62.3	-46.9	175.3	-69.7	0	0	0	0	111.5	T107 E108 A113 Q114 E115	T107-C111 PolarHBondContact O-N 3.09Å; T107-C111 PolarHBondContact O-SG 3.18Å; T107-C111 VanDerWaalsContact O-SG 3.34Å; E108-C111 WeakPolarHBondContact O-CB 3.48Å; E108-C111 PolarHBondContact O-N 3.23Å; E108-C111 VanDerWaalsContact O-N 3.1Å; C111-A113 PolarHBondContact O-N 3.1Å; C111-Q114 WeakPolarHBondContact O-CA 3.37Å; C111-Q114 WeakPolarHBondContact O-CB 3.24Å; C111-Q114 PolarHBondContact O-N 3.27Å; C111-Q114 VanDerWaalsContact O-N 3.09Å; C111-E115 WeakPolarHBondContact O-CG 3.44Å; C111-E115 PolarHBondContact O-N 3.37Å
112	I	91.8	Very high	91.9	Very high	48 Å²	48	56.2 Å²	56.2	25%	0.246	28%	0.283	C	S	.	.	H	α-helix	trans	-61.1	-45.5	178	-62.4	166	0	0	0	110.3	L69 L72 E108 Q114 E115 E116	L69-I112 HydrophobicContact CD2-CD1 4.1Å; L69-I112 HydrophobicContact CD2-CG2 4.02Å; L72-I112 HydrophobicContact CD1-CB 4.47Å; L72-I112 HydrophobicContact CD1-CG2 3.82Å; E108-I112 WeakPolarHBondContact O-CG1 3.32Å; E108-I112 PolarHBondContact O-N 3.28Å; I112-Q114 PolarHBondContact O-N 3.01Å; I112-E115 PolarHBondContact O-N 3.49Å; I112-E115 VanDerWaalsContact O-N 3.14Å; I112-E116 WeakPolarHBondContact O-CG 3.42Å; I112-E116 PolarHBondContact O-N 3.19Å
113	A	89.6	Confident	91.9	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.008	30%	0.295	C	S	.	.	H	α-helix	trans	-58	-38.5	175.6	0	0	0	0	0	112.1	L72 L82 L109 L110 C111 E116 G117 I118 V120	L72-A113 HydrophobicContact CD1-CB 4.35Å; L72-A113 HydrophobicContact CD2-CB 4.07Å; L82-A113 HydrophobicContact CD1-CB 4.22Å; L109-A113 WeakPolarHBondContact O-CB 3.47Å; L109-A113 PolarHBondContact O-N 3.09Å; L110-A113 PolarHBondContact O-N 3.32Å; C111-A113 PolarHBondContact O-N 3.1Å; A113-E116 PolarHBondContact O-N 2.72Å; A113-G117 PolarHBondContact O-N 3.33Å; A113-I118 HydrophobicContact CB-CB 4.32Å; A113-I118 WeakPolarHBondContact O-CA 3.35Å; A113-I118 VanDerWaalsContact O-CB 3.22Å; A113-I118 WeakPolarHBondContact O-CB 3.42Å; A113-I118 PolarHBondContact O-N 2.65Å; A113-V120 HydrophobicContact CB-CG2 4.19Å
114	Q	90.2	Very high	91.8	Very high	102 Å²	102	60.6 Å²	60.6	48%	0.477	31%	0.313	S	S	.	.	H	α-helix	trans	-67.6	-39.9	176.4	-166.3	-179.8	-14.3	0	0	112.5	L110 C111 I112 E116 G117 V120	L110-Q114 PolarHBondContact O-N 3.27Å; C111-Q114 WeakPolarHBondContact O-CA 3.37Å; C111-Q114 WeakPolarHBondContact O-CB 3.24Å; C111-Q114 PolarHBondContact O-N 3.27Å; C111-Q114 VanDerWaalsContact O-N 3.09Å; I112-Q114 PolarHBondContact O-N 3.01Å; Q114-E116 VanDerWaalsContact C-N 3.33Å; Q114-G117 PolarHBondContact O-N 3.18Å; Q114-G117 VanDerWaalsContact O-N 3.11Å; Q114-V120 HydrophobicContact CB-CG2 3.67Å; Q114-V120 HydrophobicContact CG-CG2 4.25Å
115	E	89.9	Confident	91.6	Very high	156 Å²	156	56.9 Å²	56.9	73%	0.729	30%	0.298	S	S	*	.	H	α-helix	trans	-64.4	-36.8	176.7	-72	172.9	174.9	0	0	111.9	C111 I112 G117	C111-E115 WeakPolarHBondContact O-CG 3.44Å; C111-E115 PolarHBondContact O-N 3.37Å; I112-E115 PolarHBondContact O-N 3.49Å; I112-E115 VanDerWaalsContact O-N 3.14Å; E115-G117 PolarHBondContact O-N 3.45Å
116	E	87.3	Confident	91.2	Very high	125 Å²	125	58.1 Å²	58.1	58%	0.584	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	8.4	172.9	-66.2	-57.9	143.3	0	0	113.6	I112 A113 Q114 I118	I112-E116 WeakPolarHBondContact O-CG 3.42Å; I112-E116 PolarHBondContact O-N 3.19Å; A113-E116 PolarHBondContact O-N 2.72Å; Q114-E116 VanDerWaalsContact C-N 3.33Å; E116-I118 VanDerWaalsContact C-N 3.33Å; E116-I118 PolarHBondContact O-N 2.87Å
117	G	85	Confident	91.1	Very high	57 Å²	57	58.5 Å²	58.5	59%	0.588	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	17.8	175.4	0	0	0	0	0	114.7	A113 Q114 E115	A113-G117 PolarHBondContact O-N 3.33Å; Q114-G117 PolarHBondContact O-N 3.18Å; Q114-G117 VanDerWaalsContact O-N 3.11Å; E115-G117 PolarHBondContact O-N 3.45Å
118	I	88	Confident	91.1	Very high	24 Å²	24	55.9 Å²	55.9	12%	0.123	31%	0.306	C	S	.	.			trans	-77.7	138.2	168.7	-56.7	-166.5	0	0	0	109.2	L72 L82 L87 A113 E116 V120	L72-I118 HydrophobicContact CD2-CD1 3.17Å; L72-I118 HydrophobicContact CD2-CG1 4.15Å; L82-I118 HydrophobicContact CB-CD1 4.45Å; L82-I118 HydrophobicContact CD1-CD1 4.22Å; L82-I118 HydrophobicContact CG-CD1 4.39Å; L87-I118 HydrophobicContact CD1-CG2 3.99Å; A113-I118 HydrophobicContact CB-CB 4.32Å; A113-I118 WeakPolarHBondContact O-CA 3.35Å; A113-I118 VanDerWaalsContact O-CB 3.22Å; A113-I118 WeakPolarHBondContact O-CB 3.42Å; A113-I118 PolarHBondContact O-N 2.65Å; E116-I118 VanDerWaalsContact C-N 3.33Å; E116-I118 PolarHBondContact O-N 2.87Å; I118-V120 VanDerWaalsContact O-CG2 3.31Å; I118-V120 WeakPolarHBondContact O-CG2 3.33Å; I118-V120 PolarHBondContact O-N 3.18Å
119	E	89.3	Confident	91.1	Very high	90 Å²	90	52.4 Å²	52.4	42%	0.421	29%	0.291	S	S	.	.			trans	-75.2	112.7	174.6	-161.6	177.1	-169.7	0	0	110	F310 H311	E119-F310 HydrophobicContact CB-CD1 4.28Å; E119-F310 HydrophobicContact CG-CB 4Å; E119-F310 HydrophobicContact CG-CD1 3.99Å; E119-F310 WeakPolarHBondContact O-CD1 3.37Å; E119-F310 WeakPolarHBondContact O-CE1 3.23Å; E119-F310 VanDerWaalsContact OE1-O 3.13Å; E119-H311 IonicContact OE1-CE1 3.28Å; E119-H311 PolarHBondContact OE1-CE1 3.37Å; E119-H311 IonicContact OE1-CG 2.83Å; E119-H311 IonicContact OE1-ND1 3.11Å; E119-H311 PolarHBondContact OE1-ND1 3.07Å; E119-H311 IonicContact OE2-CE1 2.8Å
120	V	91.5	Very high	91.3	Very high	16 Å²	16	55.1 Å²	55.1	10%	0.097	31%	0.313	C	S	.	.			trans	-101.5	133	-172.9	-167.1	0	0	0	0	110.3	L110 A113 Q114 I118	L110-V120 HydrophobicContact CB-CG1 4.02Å; L110-V120 HydrophobicContact CD2-CG1 3.36Å; L110-V120 HydrophobicContact CG-CG1 4.24Å; A113-V120 HydrophobicContact CB-CG2 4.19Å; Q114-V120 HydrophobicContact CB-CG2 3.67Å; Q114-V120 HydrophobicContact CG-CG2 4.25Å; I118-V120 VanDerWaalsContact O-CG2 3.31Å; I118-V120 WeakPolarHBondContact O-CG2 3.33Å; I118-V120 PolarHBondContact O-N 3.18Å
121	P	93.6	Very high	91.4	Very high	4 Å²	4	55 Å²	55	3%	0.026	31%	0.312	C	S	.	.			trans	-68.5	146.6	179.1	29.4	-34.4	0	0	0	111.1	L87 L88 L91 Y308 F310	L87-P121 HydrophobicContact CB-CG 3.89Å; L88-P121 HydrophobicContact CD2-CB 3.78Å; L88-P121 HydrophobicContact CD2-CG 3.92Å; L91-P121 HydrophobicContact CB-CG 4.26Å; L91-P121 HydrophobicContact CD2-CB 3.92Å; L91-P121 HydrophobicContact CD2-CG 4.11Å; P121-Y308 HydrophobicContact CB-CD2 4.35Å; P121-F310 HydrophobicContact CB-CD1 4.41Å; P121-F310 HydrophobicContact CB-CD2 4.38Å; P121-F310 HydrophobicContact CB-CE1 3.99Å; P121-F310 HydrophobicContact CB-CE2 3.93Å; P121-F310 HydrophobicContact CB-CZ 3.7Å; P121-F310 HydrophobicContact CG-CE1 4.16Å; P121-F310 HydrophobicContact CG-CZ 3.98Å
122	R	92.3	Very high	91.5	Very high	133 Å²	133	52.4 Å²	52.4	50%	0.502	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	135.2	176.4	-60.2	178.9	-178.6	-138.7	-3	109.5	L124 Y308 A309	R122-L124 PolarHBondContact O-N 2.85Å; R122-Y308 CarbonylContact O-C 3.51Å; R122-Y308 WeakPolarHBondContact O-CA 3.36Å; R122-A309 PolarHBondContact N-O 2.98Å; R122-A309 PolarHBondContact O-N 3.38Å
123	A	92.5	Very high	91.6	Very high	30 Å²	30	52.5 Å²	52.5	25%	0.248	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	132.5	174	0	0	0	0	0	110.1	L91 G307	L91-A123 HydrophobicContact CD1-CB 4.35Å; A123-G307 WeakPolarHBondContact CA-O 3.5Å
124	L	92.4	Very high	91.6	Very high	94 Å²	94	54.5 Å²	54.5	49%	0.492	32%	0.315	S	S	.	.	S	Bend	trans	-79.6	-25.2	178.1	-69.2	177	0	0	0	112.4	R122 G306 G307 A309	R122-L124 PolarHBondContact O-N 2.85Å; L124-G306 WeakPolarHBondContact CD1-O 3.31Å; L124-G307 PolarHBondContact N-O 2.96Å; L124-A309 HydrophobicContact CD2-CB 3.79Å; L124-A309 HydrophobicContact CG-CB 4.41Å
125	A	90.5	Very high	91.5	Very high	22 Å²	22	57.2 Å²	57.2	18%	0.182	33%	0.325	C	S	.	.	S	Bend	trans	-105.9	145.2	177.6	0	0	0	0	0	112	R95 N299	R95-A125 PolarHBondContact NH2-O 2.83Å; R95-A125 VanDerWaalsContact NH2-O 3.14Å; A125-N299 HydrophobicContact CB-CB 3.57Å
126	S	86.9	Confident	91.4	Very high	99 Å²	99	53.3 Å²	53.3	69%	0.692	31%	0.306	S	S	*	.	S	Bend	trans	-78.6	-19.5	178.6	55.4	0	0	0	0	113.6	R95	R95-S126 PolarHBondContact NH2-O 2.64Å
127	G	91.4	Very high	91.4	Very high	11 Å²	11	47.8 Å²	47.8	11%	0.113	28%	0.281	C	S	.	.	S	Bend	trans	-169.3	-170.2	-178.5	0	0	0	0	0	113.2	S129 N299	G127-S129 PolarHBondContact O-N 2.98Å; G127-N299 PolarHBondContact O-ND2 3.38Å
128	P	94.6	Very high	90.9	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.032	28%	0.279	C	S	.	.	S	Bend	trans	-70.3	-27.2	-167.6	-20.7	32.1	0	0	0	115.5	L137 H159 M162 V163 L298 N299	P128-L137 HydrophobicContact CB-CD1 4.04Å; P128-L137 HydrophobicContact CG-CB 4.24Å; P128-L137 HydrophobicContact CG-CD1 4.09Å; P128-H159 HydrophobicContact CB-CB 3.76Å; P128-M162 HydrophobicContact CB-CB 4.28Å; P128-M162 HydrophobicContact CB-SD 4.5Å; P128-M162 HydrophobicContact CG-CB 3.98Å; P128-M162 HydrophobicContact CG-CE 3.44Å; P128-M162 VanDerWaalsContact CG-CE 3.44Å; P128-M162 HydrophobicContact CG-CG 4.49Å; P128-M162 HydrophobicContact CG-SD 3.71Å; P128-V163 HydrophobicContact CB-CG2 4.06Å; P128-L298 CarbonylContact O-C 3.5Å; P128-L298 WeakPolarHBondContact O-CA 3.42Å; P128-N299 PolarHBondContact O-N 3.38Å
129	S	96.9	Very high	90.1	Very high	9 Å²	9	50.2 Å²	50.2	6%	0.063	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-127.3	143.5	-175.7	172.4	0	0	0	0	110.8	G127 F131 I132 C296 G297 N299	G127-S129 PolarHBondContact O-N 2.98Å; S129-F131 VanDerWaalsContact C-N 3.35Å; S129-F131 PolarHBondContact OG-N 3.34Å; S129-I132 PolarHBondContact OG-N 3.16Å; S129-C296 WeakPolarHBondContact CB-O 3.28Å; S129-C296 PolarHBondContact OG-O 3.41Å; S129-G297 CarbonylContact C-O 3.58Å; S129-G297 WeakPolarHBondContact CA-O 3.37Å; S129-N299 PolarHBondContact O-ND2 2.86Å
130	A	95.9	Very high	88.9	Confident	57 Å²	57	50.2 Å²	50.2	47%	0.471	28%	0.28	S	S	.	.	S	Bend	trans	-82.2	-14.1	168.4	0	0	0	0	0	112.7	G297 N299	A130-G297 PolarHBondContact N-O 3.43Å; A130-N299 PolarHBondContact N-ND2 3.06Å
131	F	96.1	Very high	87.9	Confident	12 Å²	12	51.6 Å²	51.6	5%	0.053	30%	0.297	C	S	.	.	S	Bend	trans	-102.9	-25.6	-176.1	-58.3	-10	0	0	0	112.6	S129 W294 G297 T513 A515 Y518 H519 H527	S129-F131 VanDerWaalsContact C-N 3.35Å; S129-F131 PolarHBondContact OG-N 3.34Å; F131-W294 WeakPolarHBondContact CE2-O 3.48Å; F131-G297 VanDerWaalsContact CD2-CA 3.48Å; F131-T513 HydrophobicContact CE2-CG2 4.07Å; F131-A515 HydrophobicContact CD1-CB 3.67Å; F131-A515 HydrophobicContact CE1-CB 3.77Å; F131-A515 VanDerWaalsContact CE1-N 3.32Å; F131-Y518 HydrophobicContact CB-CD1 3.7Å; F131-Y518 HydrophobicContact CB-CD2 4.35Å; F131-Y518 HydrophobicContact CB-CE1 3.9Å; F131-Y518 HydrophobicContact CB-CG 3.95Å; F131-Y518 HydrophobicContact CD2-CD1 4.34Å; F131-Y518 AromaticContact CD2-CD2 3.79Å; F131-Y518 HydrophobicContact CD2-CD2 3.79Å; F131-Y518 HydrophobicContact CD2-CE2 4.49Å; F131-Y518 AromaticContact CD2-CG 3.7Å; F131-Y518 HydrophobicContact CD2-CG 3.7Å; F131-Y518 HydrophobicContact CG-CD1 4.28Å; F131-Y518 HydrophobicContact CG-CD2 4.49Å; F131-Y518 HydrophobicContact CG-CG 4.08Å; F131-H519 PolarHBondContact O-CE1 3.02Å; F131-H519 VanDerWaalsContact O-CE1 3.23Å; F131-H527 PolarHBondContact O-CE1 2.93Å
132	I	95.8	Very high	86.6	Confident	5 Å²	5	59.9 Å²	59.9	3%	0.026	34%	0.34	C	S	.	.	S	Bend	trans	-110.1	127.6	-176.2	-54.3	170.4	0	0	0	108.6	S129 A134 E136 L137 V163 Y518 H527 V531	S129-I132 PolarHBondContact OG-N 3.16Å; I132-A134 PolarHBondContact O-N 3.49Å; I132-E136 HydrophobicContact CG2-CB 4.06Å; I132-L137 HydrophobicContact CB-CD1 3.97Å; I132-L137 HydrophobicContact CB-CG 4.41Å; I132-L137 HydrophobicContact CD1-CD1 4.49Å; I132-L137 HydrophobicContact CG2-CD1 3.96Å; I132-L137 HydrophobicContact CG2-CD2 4.25Å; I132-L137 HydrophobicContact CG2-CG 3.83Å; I132-V163 HydrophobicContact CD1-CG1 4.28Å; I132-Y518 WeakPolarHBondContact CG1-OH 3.28Å; I132-H527 HydrophobicContact CG1-CB 4.26Å; I132-H527 HydrophobicContact CG2-CB 3.84Å; I132-V531 HydrophobicContact CD1-CG2 3.57Å
133	P	93.5	Very high	86.1	Confident	51 Å²	51	55.2 Å²	55.2	33%	0.331	33%	0.326	S	S	.	.			trans	-55.8	134.3	176.2	-25.4	34.9	0	0	0	112.1	K135 E136 H527	P133-K135 HydrophobicContact CB-CG 4.03Å; P133-K135 PolarHBondContact O-N 3.4Å; P133-E136 HydrophobicContact CB-CG 4.47Å; P133-E136 WeakPolarHBondContact O-CB 3.45Å; P133-E136 PolarHBondContact O-N 3.43Å; P133-H527 WeakPolarHBondContact CD-NE2 3.38Å
134	A	89.6	Confident	85.7	Confident	43 Å²	43	56.8 Å²	56.8	36%	0.355	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-56.7	-29.7	-177.2	0	0	0	0	0	113.7	I132 E136 L137	I132-A134 PolarHBondContact O-N 3.49Å; A134-E136 PolarHBondContact O-N 3.37Å; A134-L137 CarbonylContact O-C 3.55Å; A134-L137 PolarHBondContact O-N 2.99Å; A134-L137 VanDerWaalsContact O-N 3.11Å
135	K	88.1	Confident	85.5	Confident	159 Å²	159	58.5 Å²	58.5	69%	0.691	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-64.9	-16.2	175.8	67.5	176.9	-177.5	177.4	0	114.4	P133 L138	P133-K135 HydrophobicContact CB-CG 4.03Å; P133-K135 PolarHBondContact O-N 3.4Å; K135-L138 VanDerWaalsContact O-CG 3.25Å; K135-L138 WeakPolarHBondContact O-CG 3.27Å
136	E	88.1	Confident	85.5	Confident	73 Å²	73	58.5 Å²	58.5	34%	0.341	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-93.9	-14.3	176.1	-63.9	-173.4	-139.5	0	0	112.2	I132 P133 A134 H527	I132-E136 HydrophobicContact CG2-CB 4.06Å; P133-E136 HydrophobicContact CB-CG 4.47Å; P133-E136 WeakPolarHBondContact O-CB 3.45Å; P133-E136 PolarHBondContact O-N 3.43Å; A134-E136 PolarHBondContact O-N 3.37Å; E136-H527 VanDerWaalsContact CD-CD2 3.46Å; E136-H527 IonicContact OE1-CD2 3.74Å; E136-H527 PolarHBondContact OE1-CD2 2.98Å; E136-H527 VanDerWaalsContact OE1-CD2 3.22Å; E136-H527 IonicContact OE1-NE2 2.68Å; E136-H527 WeakPolarHBondContact OE2-CB 3.49Å; E136-H527 IonicContact OE2-CD2 3.41Å; E136-H527 PolarHBondContact OE2-CD2 3.46Å; E136-H527 IonicContact OE2-CG 3.23Å
137	L	87.1	Confident	85.7	Confident	10 Å²	10	54 Å²	54	5%	0.052	30%	0.302	C	S	.	.	S	Bend	trans	-110.4	49.6	-179.8	-62.9	176.2	0	0	0	110.3	P128 I132 A134 V163 L166	P128-L137 HydrophobicContact CB-CD1 4.04Å; P128-L137 HydrophobicContact CG-CB 4.24Å; P128-L137 HydrophobicContact CG-CD1 4.09Å; I132-L137 HydrophobicContact CB-CD1 3.97Å; I132-L137 HydrophobicContact CB-CG 4.41Å; I132-L137 HydrophobicContact CD1-CD1 4.49Å; I132-L137 HydrophobicContact CG2-CD1 3.96Å; I132-L137 HydrophobicContact CG2-CD2 4.25Å; I132-L137 HydrophobicContact CG2-CG 3.83Å; A134-L137 CarbonylContact O-C 3.55Å; A134-L137 PolarHBondContact O-N 2.99Å; A134-L137 VanDerWaalsContact O-N 3.11Å; L137-V163 HydrophobicContact CD1-CG2 3.93Å; L137-V163 HydrophobicContact CD2-CG2 4.3Å; L137-L166 HydrophobicContact CD2-CD1 3.67Å; L137-L166 HydrophobicContact CD2-CD2 4.27Å; L137-L166 HydrophobicContact CD2-CG 3.96Å
138	L	75.1	Confident	85.7	Confident	106 Å²	106	54.9 Å²	54.9	56%	0.555	31%	0.305	S	S	*	.			trans	-70	132.3	-176.6	-58.7	175.9	0	0	0	111.1	K135 E140	K135-L138 VanDerWaalsContact O-CG 3.25Å; K135-L138 WeakPolarHBondContact O-CG 3.27Å; L138-E140 VanDerWaalsContact C-N 3.26Å; L138-E140 VanDerWaalsContact CB-O 3.26Å; L138-E140 WeakPolarHBondContact CB-O 3.22Å
139	I	70.6	Confident	85.5	Confident	26 Å²	26	56.1 Å²	56.1	13%	0.133	31%	0.311	C	S	.	.	S	Bend	trans	-68.4	-32.7	169.5	-63.4	166.9	0	0	0	110.4	R95 P98 M162	R95-I139 WeakPolarHBondContact O-CD1 3.35Å; P98-I139 HydrophobicContact CB-CG2 4.06Å; I139-M162 HydrophobicContact CD1-CE 3.75Å; I139-M162 HydrophobicContact CG1-CE 3.29Å; I139-M162 HydrophobicContact CG1-SD 4.49Å
140	E	64.6	Low	85.2	Confident	90 Å²	90	56 Å²	56	42%	0.421	31%	0.309	S	S	.	.	S	Bend	trans	-100.9	115.2	177.9	-60.9	-176.8	152.1	0	0	108.9	R103 L138	R103-E140 IonicContact CZ-OE1 3.73Å; R103-E140 IonicContact NH2-OE1 2.63Å; R103-E140 PolarHBondContact NH2-OE1 2.92Å; L138-E140 VanDerWaalsContact C-N 3.26Å; L138-E140 VanDerWaalsContact CB-O 3.26Å; L138-E140 WeakPolarHBondContact CB-O 3.22Å
141	G	70.7	Confident	85	Confident	45 Å²	45	53.4 Å²	53.4	46%	0.464	29%	0.288	S	S	.	.	S	Bend	trans	161.9	-162	-175.8	0	0	0	0	0	112.8	N143 Q144	G141-N143 PolarHBondContact O-N 2.88Å; G141-Q144 VanDerWaalsContact O-CB 3.3Å; G141-Q144 WeakPolarHBondContact O-CB 2.84Å; G141-Q144 PolarHBondContact O-N 3.4Å
142	L	66.3	Low	84.7	Confident	177 Å²	177	54.2 Å²	54.2	93%	0.927	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-21.6	-176.9	-67.8	169.9	0	0	0	114.2
143	N	80.6	Confident	84.2	Confident	36 Å²	36	56.2 Å²	56.2	19%	0.193	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	5.9	-176.3	-52.3	-36.4	0	0	0	112.7	G141 D145 I146 L147 A165 P168	G141-N143 PolarHBondContact O-N 2.88Å; N143-D145 VanDerWaalsContact C-N 3.31Å; N143-D145 PolarHBondContact O-N 3.27Å; N143-I146 HydrophobicContact CB-CG2 4.47Å; N143-I146 VanDerWaalsContact O-CG2 3.24Å; N143-I146 WeakPolarHBondContact O-CG2 3.47Å; N143-L147 WeakPolarHBondContact O-CG 3.46Å; N143-L147 PolarHBondContact O-N 3.42Å; N143-A165 HydrophobicContact CB-CB 4.14Å; N143-A165 PolarHBondContact ND2-O 3.08Å; N143-A165 PolarHBondContact OD1-O 3.13Å; N143-P168 VanDerWaalsContact OD1-CG 3.25Å; N143-P168 WeakPolarHBondContact OD1-CG 3.22Å
144	Q	84.3	Confident	83.8	Confident	63 Å²	63	58 Å²	58	29%	0.294	31%	0.313	S	S	.	.	H	α-helix	trans	-61.2	-38.9	-173.9	-174.3	172.4	7.9	0	0	112.3	G141 I146 L147 V148	G141-Q144 VanDerWaalsContact O-CB 3.3Å; G141-Q144 WeakPolarHBondContact O-CB 2.84Å; G141-Q144 PolarHBondContact O-N 3.4Å; Q144-I146 PolarHBondContact O-N 3Å; Q144-L147 PolarHBondContact O-N 3.39Å; Q144-V148 HydrophobicContact CG-CG2 4.05Å; Q144-V148 WeakPolarHBondContact O-CB 3.4Å; Q144-V148 VanDerWaalsContact O-CG2 3.31Å; Q144-V148 WeakPolarHBondContact O-CG2 3.19Å; Q144-V148 PolarHBondContact O-N 2.78Å
145	D	88.4	Confident	83.5	Confident	130 Å²	130	56.9 Å²	56.9	70%	0.695	31%	0.306	S	S	*	.	H	α-helix	trans	-61.8	-46.5	-175.8	-65.9	-22.4	0	0	0	112.6	N143 L147 V148 E149	N143-D145 VanDerWaalsContact C-N 3.31Å; N143-D145 PolarHBondContact O-N 3.27Å; D145-L147 VanDerWaalsContact C-N 3.32Å; D145-L147 PolarHBondContact O-N 3.21Å; D145-V148 PolarHBondContact O-N 3.3Å; D145-E149 WeakPolarHBondContact O-CB 3.32Å; D145-E149 PolarHBondContact O-N 3.38Å
146	I	90.1	Very high	83.5	Confident	22 Å²	22	52.4 Å²	52.4	11%	0.113	29%	0.285	C	S	.	.	H	α-helix	trans	-68.5	-33.4	178.4	-169.8	164.4	0	0	0	111.6	N143 Q144 S150 P168 L171	N143-I146 HydrophobicContact CB-CG2 4.47Å; N143-I146 VanDerWaalsContact O-CG2 3.24Å; N143-I146 WeakPolarHBondContact O-CG2 3.47Å; Q144-I146 PolarHBondContact O-N 3Å; I146-S150 WeakPolarHBondContact O-CB 3.47Å; I146-S150 PolarHBondContact O-N 3.33Å; I146-S150 PolarHBondContact O-OG 3.26Å; I146-P168 HydrophobicContact CD1-CB 4.28Å; I146-P168 WeakPolarHBondContact CD1-O 3.28Å; I146-P168 HydrophobicContact CG2-CB 4.32Å; I146-L171 HydrophobicContact CD1-CB 3.95Å; I146-L171 HydrophobicContact CD1-CD2 3.86Å; I146-L171 HydrophobicContact CD1-CG 3.83Å; I146-L171 HydrophobicContact CG1-CD2 3.95Å; I146-L171 HydrophobicContact CG1-CG 4.32Å; I146-L171 HydrophobicContact CG2-CD2 4.13Å
147	L	92	Very high	83.6	Confident	4 Å²	4	49.3 Å²	49.3	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-68.7	-43.7	175.1	-66.6	179.1	0	0	0	111.3	P98 N143 Q144 D145 S150 F151 V157 T161 A165	P98-L147 HydrophobicContact CB-CB 4.04Å; P98-L147 WeakPolarHBondContact CG-O 3.48Å; N143-L147 WeakPolarHBondContact O-CG 3.46Å; N143-L147 PolarHBondContact O-N 3.42Å; Q144-L147 PolarHBondContact O-N 3.39Å; D145-L147 VanDerWaalsContact C-N 3.32Å; D145-L147 PolarHBondContact O-N 3.21Å; L147-S150 WeakPolarHBondContact O-CB 3.38Å; L147-S150 PolarHBondContact O-N 2.8Å; L147-F151 PolarHBondContact O-N 3.49Å; L147-V157 HydrophobicContact CD2-CG1 3.79Å; L147-V157 WeakPolarHBondContact O-CG2 3.44Å; L147-T161 HydrophobicContact CD2-CG2 4.01Å; L147-A165 HydrophobicContact CD1-CB 4.36Å; L147-A165 HydrophobicContact CD2-CB 3.65Å; L147-A165 HydrophobicContact CG-CB 4.08Å
148	V	92.4	Very high	83.9	Confident	29 Å²	29	49.7 Å²	49.7	18%	0.176	27%	0.273	C	S	.	.	H	α-helix	trans	-58.3	-50	173.5	170	0	0	0	0	110	P98 L99 Q144 D145 S150 F151 L152	P98-V148 HydrophobicContact CB-CG2 3.75Å; P98-V148 HydrophobicContact CG-CB 4.44Å; P98-V148 HydrophobicContact CG-CG2 4.09Å; L99-V148 HydrophobicContact CD2-CG1 3.95Å; L99-V148 HydrophobicContact CD2-CG2 4.17Å; Q144-V148 HydrophobicContact CG-CG2 4.05Å; Q144-V148 WeakPolarHBondContact O-CB 3.4Å; Q144-V148 VanDerWaalsContact O-CG2 3.31Å; Q144-V148 WeakPolarHBondContact O-CG2 3.19Å; Q144-V148 PolarHBondContact O-N 2.78Å; D145-V148 PolarHBondContact O-N 3.3Å; V148-S150 VanDerWaalsContact C-N 3.29Å; V148-S150 PolarHBondContact O-N 3.19Å; V148-F151 WeakPolarHBondContact O-CB 3.38Å; V148-F151 PolarHBondContact O-N 3.17Å; V148-F151 VanDerWaalsContact O-N 3.11Å; V148-L152 HydrophobicContact CG1-CD1 3.76Å; V148-L152 HydrophobicContact CG1-CG 4.17Å; V148-L152 VanDerWaalsContact O-CG 3.29Å; V148-L152 WeakPolarHBondContact O-CG 3.48Å; V148-L152 PolarHBondContact O-N 3.17Å
149	E	90.3	Very high	84.9	Confident	32 Å²	32	45 Å²	45	15%	0.15	25%	0.248	C	C	.	.	H	α-helix	trans	-59.9	-40.2	179.1	-177.5	60.7	-165.7	0	0	112.3	F9 R52 D145 L152 S153	F9-E149 HydrophobicContact CB-CG 4.35Å; F9-E149 HydrophobicContact CD2-CG 4.47Å; F9-E149 HydrophobicContact CG-CG 4.3Å; R52-E149 IonicContact CZ-OE1 3.83Å; R52-E149 VanDerWaalsContact CZ-OE1 3.27Å; R52-E149 IonicContact CZ-OE2 3.52Å; R52-E149 VanDerWaalsContact NH1-CD 3.31Å; R52-E149 IonicContact NH1-OE1 3.65Å; R52-E149 PolarHBondContact NH1-OE1 2.93Å; R52-E149 IonicContact NH1-OE2 3.27Å; R52-E149 PolarHBondContact NH1-OE2 3.36Å; R52-E149 IonicContact NH2-OE1 3.48Å; R52-E149 PolarHBondContact NH2-OE1 3.47Å; R52-E149 IonicContact NH2-OE2 2.78Å; D145-E149 WeakPolarHBondContact O-CB 3.32Å; D145-E149 PolarHBondContact O-N 3.38Å; E149-L152 PolarHBondContact O-N 3.35Å; E149-S153 WeakPolarHBondContact O-CB 3.24Å; E149-S153 PolarHBondContact O-N 2.88Å; E149-S153 PolarHBondContact O-OG 3.34Å
150	S	89.2	Confident	86.1	Confident	5 Å²	5	44.1 Å²	44.1	4%	0.035	24%	0.243	C	C	.	.	H	α-helix	trans	-61.7	-44.8	174.3	-57.6	0	0	0	0	111.4	I146 L147 V148 S153 L154 L175	I146-S150 WeakPolarHBondContact O-CB 3.47Å; I146-S150 PolarHBondContact O-N 3.33Å; I146-S150 PolarHBondContact O-OG 3.26Å; L147-S150 WeakPolarHBondContact O-CB 3.38Å; L147-S150 PolarHBondContact O-N 2.8Å; V148-S150 VanDerWaalsContact C-N 3.29Å; V148-S150 PolarHBondContact O-N 3.19Å; S150-S153 PolarHBondContact O-N 3.11Å; S150-L154 WeakPolarHBondContact O-CB 3.47Å; S150-L154 PolarHBondContact O-N 2.89Å; S150-L175 WeakPolarHBondContact OG-CD1 3.39Å
151	F	91.6	Very high	87.6	Confident	4 Å²	4	40.2 Å²	40.2	2%	0.018	23%	0.226	C	C	.	.	H	α-helix	trans	-63	-44.8	176.8	-179.1	-102.3	0	0	0	112.6	L93 C97 P98 L99 L147 V148 S153 G155 V157	L93-F151 HydrophobicContact CD2-CE2 3.9Å; L93-F151 HydrophobicContact CD2-CZ 4.02Å; C97-F151 HydrophobicContact CB-CE2 4.43Å; C97-F151 VanDerWaalsContact SG-CZ 3.52Å; P98-F151 HydrophobicContact CG-CB 3.44Å; P98-F151 VanDerWaalsContact CG-CB 3.44Å; P98-F151 HydrophobicContact CG-CG 3.98Å; L99-F151 HydrophobicContact CD1-CD1 3.79Å; L99-F151 HydrophobicContact CD1-CE1 3.77Å; L99-F151 HydrophobicContact CG-CD1 4.3Å; L147-F151 PolarHBondContact O-N 3.49Å; V148-F151 WeakPolarHBondContact O-CB 3.38Å; V148-F151 PolarHBondContact O-N 3.17Å; V148-F151 VanDerWaalsContact O-N 3.11Å; F151-S153 PolarHBondContact O-N 3.27Å; F151-G155 WeakPolarHBondContact O-CA 3.31Å; F151-G155 PolarHBondContact O-N 3.41Å; F151-V157 HydrophobicContact CB-CG2 3.75Å; F151-V157 HydrophobicContact CD2-CG2 4.48Å
152	L	90.3	Very high	88.7	Confident	28 Å²	28	38.7 Å²	38.7	15%	0.147	21%	0.207	C	C	.	.	H	α-helix	trans	-65.6	-31	-179.9	-64.9	175.2	0	0	0	111.7	C50 R52 L99 V148 E149	C50-L152 WeakPolarHBondContact CB-O 3.37Å; C50-L152 WeakPolarHBondContact O-CD2 3.5Å; R52-L152 HydrophobicContact CG-CD1 4.32Å; L99-L152 HydrophobicContact CD1-CD2 4.22Å; V148-L152 HydrophobicContact CG1-CD1 3.76Å; V148-L152 HydrophobicContact CG1-CG 4.17Å; V148-L152 VanDerWaalsContact O-CG 3.29Å; V148-L152 WeakPolarHBondContact O-CG 3.48Å; V148-L152 PolarHBondContact O-N 3.17Å; E149-L152 PolarHBondContact O-N 3.35Å
153	S	85.9	Confident	90.2	Very high	47 Å²	47	30.3 Å²	30.3	33%	0.329	16%	0.163	S	C	.	.	H	α-helix	trans	-86.5	-39.7	-179	-55.3	0	0	0	0	113.3	E149 S150 F151	E149-S153 WeakPolarHBondContact O-CB 3.24Å; E149-S153 PolarHBondContact O-N 2.88Å; E149-S153 PolarHBondContact O-OG 3.34Å; S150-S153 PolarHBondContact O-N 3.11Å; F151-S153 PolarHBondContact O-N 3.27Å
154	L	83.8	Confident	91	Very high	89 Å²	89	28.6 Å²	28.6	47%	0.466	15%	0.154	S	C	.	.	H	α-helix	trans	-110.5	-7.8	-170.2	-57.2	176.3	0	0	0	113.8	S150 R156 L175	S150-L154 WeakPolarHBondContact O-CB 3.47Å; S150-L154 PolarHBondContact O-N 2.89Å; L154-R156 PolarHBondContact O-N 3.16Å; L154-L175 HydrophobicContact CD1-CD2 4.05Å
155	G	84.6	Confident	91.5	Very high	20 Å²	20	25.6 Å²	25.6	21%	0.206	14%	0.14	C	C	.	.	S	Bend	trans	67	11.6	-176.8	0	0	0	0	0	115.6	C50 R92 F151	C50-G155 WeakPolarHBondContact SG-CA 3.44Å; R92-G155 PolarHBondContact NH2-O 3.44Å; R92-G155 VanDerWaalsContact NH2-O 3.16Å; F151-G155 WeakPolarHBondContact O-CA 3.31Å; F151-G155 PolarHBondContact O-N 3.41Å
156	R	86.8	Confident	91.8	Very high	64 Å²	64	21 Å²	21	24%	0.242	12%	0.115	C	C	.	.			trans	-158.6	153.4	175.2	71.8	-179.1	-171	170.2	-6.1	112.2	L154	L154-R156 PolarHBondContact O-N 3.16Å
157	V	90.6	Very high	92.1	Very high	8 Å²	8	20.1 Å²	20.1	5%	0.048	11%	0.11	C	C	.	.			trans	-124.9	107	165.8	178.5	0	0	0	0	105.5	P98 L147 F151 T161 M162	P98-V157 HydrophobicContact CG-CG2 4.08Å; L147-V157 HydrophobicContact CD2-CG1 3.79Å; L147-V157 WeakPolarHBondContact O-CG2 3.44Å; F151-V157 HydrophobicContact CB-CG2 3.75Å; F151-V157 HydrophobicContact CD2-CG2 4.48Å; V157-T161 HydrophobicContact CG1-CG2 4.04Å; V157-M162 HydrophobicContact CG1-CG 3.63Å
158	D	93.4	Very high	92.2	Very high	18 Å²	18	22 Å²	22	10%	0.096	12%	0.123	C	C	.	.			trans	-86.9	166.2	179.4	65.7	10	0	0	0	111	L160 T161 M162 Q212	D158-L160 PolarHBondContact O-N 3.43Å; D158-T161 WeakPolarHBondContact O-CB 3.47Å; D158-T161 PolarHBondContact O-N 2.83Å; D158-T161 VanDerWaalsContact O-N 3.13Å; D158-T161 WeakPolarHBondContact OD1-CB 3.38Å; D158-T161 PolarHBondContact OD1-N 3.17Å; D158-T161 PolarHBondContact OD1-OG1 3.13Å; D158-M162 WeakPolarHBondContact O-CG 3.25Å; D158-M162 PolarHBondContact O-N 3.46Å; D158-Q212 PolarHBondContact OD2-NE2 3.2Å
159	H	95.9	Very high	92.3	Very high	8 Å²	8	23.5 Å²	23.5	4%	0.037	14%	0.135	C	C	.	.	H	α-helix	trans	-58.9	-32.3	-179	-69.2	165.9	0	0	0	112.5	P128 M162 V163 Y208 L298 N299 P300 E301	P128-H159 HydrophobicContact CB-CB 3.76Å; H159-M162 PolarHBondContact O-N 3Å; H159-V163 WeakPolarHBondContact O-CG2 3.5Å; H159-V163 PolarHBondContact O-N 3.18Å; H159-Y208 HydrophobicContact CB-CE2 4.24Å; H159-L298 HydrophobicContact CB-CG 4.46Å; H159-N299 PolarHBondContact ND1-O 2.94Å; H159-P300 PolarHBondContact CE1-O 3.39Å; H159-E301 WeakPolarHBondContact CB-OE1 3.38Å; H159-E301 IonicContact CD2-OE1 3.7Å; H159-E301 IonicContact CD2-OE2 2.92Å; H159-E301 IonicContact CG-OE1 2.76Å; H159-E301 PolarHBondContact N-OE1 2.88Å; H159-E301 IonicContact ND1-OE1 3.41Å
160	L	96.4	Very high	92.6	Very high	7 Å²	7	22 Å²	22	4%	0.037	13%	0.128	C	C	.	.	H	α-helix	trans	-60.8	-51.6	174	-176.4	151.8	0	0	0	111.4	D158 M162 V163 M164 F174 Y208 M209 L289 F292 V293 L298	D158-L160 PolarHBondContact O-N 3.43Å; L160-M162 VanDerWaalsContact C-N 3.31Å; L160-M162 PolarHBondContact O-N 3.42Å; L160-V163 PolarHBondContact O-N 3.49Å; L160-M164 HydrophobicContact CD2-CE 3.75Å; L160-M164 HydrophobicContact CD2-CG 4.39Å; L160-M164 HydrophobicContact CD2-SD 3.56Å; L160-M164 VanDerWaalsContact CD2-SD 3.56Å; L160-M164 HydrophobicContact CG-CE 4.2Å; L160-M164 HydrophobicContact CG-SD 4.42Å; L160-M164 WeakPolarHBondContact O-CB 3.28Å; L160-M164 WeakPolarHBondContact O-CG 3.39Å; L160-M164 PolarHBondContact O-N 3.01Å; L160-F174 HydrophobicContact CD2-CE1 3.66Å; L160-F174 HydrophobicContact CD2-CZ 3.7Å; L160-Y208 HydrophobicContact CB-CE1 4.16Å; L160-Y208 WeakPolarHBondContact CB-OH 3.23Å; L160-Y208 HydrophobicContact CD1-CE1 4.37Å; L160-Y208 PolarHBondContact N-OH 3.21Å; L160-Y208 VanDerWaalsContact N-OH 3.11Å; L160-M209 HydrophobicContact CD1-SD 4.15Å; L160-L289 HydrophobicContact CD1-CD2 3.94Å; L160-F292 HydrophobicContact CG-CD1 4.45Å; L160-V293 HydrophobicContact CD1-CG2 4.14Å; L160-L298 HydrophobicContact CB-CD2 3.79Å; L160-L298 HydrophobicContact CG-CD2 4.4Å
161	T	95.6	Very high	93	Very high	8 Å²	8	21.7 Å²	21.7	5%	0.049	13%	0.126	C	C	.	.	H	α-helix	trans	-59	-43.3	175.7	-57.1	0	0	0	0	110.8	L147 V157 D158 V163 M164 A165 L171	L147-T161 HydrophobicContact CD2-CG2 4.01Å; V157-T161 HydrophobicContact CG1-CG2 4.04Å; D158-T161 WeakPolarHBondContact O-CB 3.47Å; D158-T161 PolarHBondContact O-N 2.83Å; D158-T161 VanDerWaalsContact O-N 3.13Å; D158-T161 WeakPolarHBondContact OD1-CB 3.38Å; D158-T161 PolarHBondContact OD1-N 3.17Å; D158-T161 PolarHBondContact OD1-OG1 3.13Å; T161-V163 PolarHBondContact O-N 3.22Å; T161-M164 PolarHBondContact O-N 3.29Å; T161-A165 WeakPolarHBondContact O-CB 3.36Å; T161-A165 PolarHBondContact O-N 3.1Å; T161-L171 HydrophobicContact CG2-CD1 4.07Å; T161-L171 HydrophobicContact CG2-CD2 4.1Å
162	M	95	Very high	93.1	Very high	14 Å²	14	22.6 Å²	22.6	7%	0.069	13%	0.133	C	C	.	.	H	α-helix	trans	-61.6	-41.1	179.1	-66.4	-178.2	66.5	0	0	113.2	P128 I139 V157 D158 H159 L160 A165	P128-M162 HydrophobicContact CB-CB 4.28Å; P128-M162 HydrophobicContact CB-SD 4.5Å; P128-M162 HydrophobicContact CG-CB 3.98Å; P128-M162 HydrophobicContact CG-CE 3.44Å; P128-M162 VanDerWaalsContact CG-CE 3.44Å; P128-M162 HydrophobicContact CG-CG 4.49Å; P128-M162 HydrophobicContact CG-SD 3.71Å; I139-M162 HydrophobicContact CD1-CE 3.75Å; I139-M162 HydrophobicContact CG1-CE 3.29Å; I139-M162 HydrophobicContact CG1-SD 4.49Å; V157-M162 HydrophobicContact CG1-CG 3.63Å; D158-M162 WeakPolarHBondContact O-CG 3.25Å; D158-M162 PolarHBondContact O-N 3.46Å; H159-M162 PolarHBondContact O-N 3Å; L160-M162 VanDerWaalsContact C-N 3.31Å; L160-M162 PolarHBondContact O-N 3.42Å; M162-A165 WeakPolarHBondContact O-CB 3.21Å
163	V	97.1	Very high	93.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-72.9	-42.7	178	177.3	0	0	0	0	110.8	P128 I132 L137 H159 L160 T161 A165 L166 F292 C296 L298 V531	P128-V163 HydrophobicContact CB-CG2 4.06Å; I132-V163 HydrophobicContact CD1-CG1 4.28Å; L137-V163 HydrophobicContact CD1-CG2 3.93Å; L137-V163 HydrophobicContact CD2-CG2 4.3Å; H159-V163 WeakPolarHBondContact O-CG2 3.5Å; H159-V163 PolarHBondContact O-N 3.18Å; L160-V163 PolarHBondContact O-N 3.49Å; T161-V163 PolarHBondContact O-N 3.22Å; V163-A165 PolarHBondContact O-N 3.15Å; V163-L166 WeakPolarHBondContact O-CB 3.33Å; V163-L166 WeakPolarHBondContact O-CG 3.42Å; V163-L166 PolarHBondContact O-N 3.48Å; V163-F292 HydrophobicContact CB-CE1 4.35Å; V163-F292 HydrophobicContact CB-CZ 4.44Å; V163-F292 HydrophobicContact CG1-CE1 4.13Å; V163-F292 HydrophobicContact CG1-CZ 3.86Å; V163-C296 HydrophobicContact CG1-CB 4.04Å; V163-L298 HydrophobicContact CG2-CD1 4.16Å; V163-V531 HydrophobicContact CG1-CG1 4.01Å; V163-V531 HydrophobicContact CG1-CG2 3.89Å
164	M	96.8	Very high	94	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.9	-25.7	176.1	-73.9	-174	173.8	0	0	112.8	L160 T161 L166 H167 Y170 L171 F174 L289 F292 L535 M538	L160-M164 HydrophobicContact CD2-CE 3.75Å; L160-M164 HydrophobicContact CD2-CG 4.39Å; L160-M164 HydrophobicContact CD2-SD 3.56Å; L160-M164 VanDerWaalsContact CD2-SD 3.56Å; L160-M164 HydrophobicContact CG-CE 4.2Å; L160-M164 HydrophobicContact CG-SD 4.42Å; L160-M164 WeakPolarHBondContact O-CB 3.28Å; L160-M164 WeakPolarHBondContact O-CG 3.39Å; L160-M164 PolarHBondContact O-N 3.01Å; T161-M164 PolarHBondContact O-N 3.29Å; M164-L166 PolarHBondContact O-N 3.06Å; M164-L166 VanDerWaalsContact O-N 3.09Å; M164-H167 CarbonylContact O-C 3.6Å; M164-H167 PolarHBondContact O-N 3.32Å; M164-Y170 HydrophobicContact CE-CE1 4.22Å; M164-Y170 HydrophobicContact SD-CE1 4.04Å; M164-L171 HydrophobicContact CB-CB 4.41Å; M164-L171 HydrophobicContact CB-CD1 3.92Å; M164-F174 HydrophobicContact CE-CD2 4.18Å; M164-F174 HydrophobicContact CE-CE1 4.39Å; M164-F174 HydrophobicContact CE-CE2 3.97Å; M164-F174 HydrophobicContact CE-CG 4.48Å; M164-F174 HydrophobicContact CE-CZ 4.08Å; M164-F174 HydrophobicContact SD-CD1 3.62Å; M164-F174 HydrophobicContact SD-CD2 4.14Å; M164-F174 HydrophobicContact SD-CE1 3.72Å; M164-F174 HydrophobicContact SD-CE2 4.22Å; M164-F174 HydrophobicContact SD-CG 3.84Å; M164-F174 HydrophobicContact SD-CZ 4.02Å; M164-L289 HydrophobicContact CE-CD2 3.83Å; M164-F292 HydrophobicContact CE-CD1 3.85Å; M164-F292 HydrophobicContact CE-CD2 4.41Å; M164-F292 HydrophobicContact CE-CE1 3.9Å; M164-F292 HydrophobicContact CE-CE2 4.47Å; M164-F292 HydrophobicContact CE-CG 4.11Å; M164-F292 HydrophobicContact CE-CZ 4.21Å; M164-F292 HydrophobicContact CG-CE1 3.68Å; M164-F292 HydrophobicContact CG-CE2 4.37Å; M164-F292 HydrophobicContact CG-CZ 3.57Å; M164-L535 HydrophobicContact CE-CD2 4.47Å; M164-L535 HydrophobicContact CG-CD2 4.47Å; M164-M538 HydrophobicContact CE-CE 3.84Å; M164-M538 HydrophobicContact CE-SD 4.14Å
165	A	95.6	Very high	94.5	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.008	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-14.3	177.2	0	0	0	0	0	113.9	N143 L147 T161 M162 V163 H167 P168 L171	N143-A165 HydrophobicContact CB-CB 4.14Å; N143-A165 PolarHBondContact ND2-O 3.08Å; N143-A165 PolarHBondContact OD1-O 3.13Å; L147-A165 HydrophobicContact CD1-CB 4.36Å; L147-A165 HydrophobicContact CD2-CB 3.65Å; L147-A165 HydrophobicContact CG-CB 4.08Å; T161-A165 WeakPolarHBondContact O-CB 3.36Å; T161-A165 PolarHBondContact O-N 3.1Å; M162-A165 WeakPolarHBondContact O-CB 3.21Å; V163-A165 PolarHBondContact O-N 3.15Å; A165-H167 PolarHBondContact O-N 3.29Å; A165-H167 VanDerWaalsContact O-N 3.14Å; A165-P168 WeakPolarHBondContact O-CD 3.5Å; A165-P168 WeakPolarHBondContact O-CG 3.33Å; A165-L171 HydrophobicContact CB-CD2 3.81Å
166	L	94.9	Very high	95	Very high	34 Å²	34	19.3 Å²	19.3	18%	0.178	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-19.4	166.3	-68.5	174.9	0	0	0	112.8	L137 V163 M164 V531	L137-L166 HydrophobicContact CD2-CD1 3.67Å; L137-L166 HydrophobicContact CD2-CD2 4.27Å; L137-L166 HydrophobicContact CD2-CG 3.96Å; V163-L166 WeakPolarHBondContact O-CB 3.33Å; V163-L166 WeakPolarHBondContact O-CG 3.42Å; V163-L166 PolarHBondContact O-N 3.48Å; M164-L166 PolarHBondContact O-N 3.06Å; M164-L166 VanDerWaalsContact O-N 3.09Å; L166-V531 HydrophobicContact CD1-CB 4.19Å; L166-V531 HydrophobicContact CD1-CG1 4.42Å; L166-V531 HydrophobicContact CD1-CG2 3.86Å
167	H	96	Very high	95.5	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.009	9%	0.09	C	C	.	.	S	Bend	trans	-129	77.9	175.3	-57	-60.4	0	0	0	111.2	M164 A165 S169 Y170 L171 L451 Y453 S528 H532 L535	M164-H167 CarbonylContact O-C 3.6Å; M164-H167 PolarHBondContact O-N 3.32Å; A165-H167 PolarHBondContact O-N 3.29Å; A165-H167 VanDerWaalsContact O-N 3.14Å; H167-S169 VanDerWaalsContact C-N 3.29Å; H167-S169 PolarHBondContact O-N 3Å; H167-Y170 PolarHBondContact O-N 3.44Å; H167-L171 PolarHBondContact O-N 2.85Å; H167-L451 HydrophobicContact CB-CD2 4Å; H167-Y453 AromaticContact CE1-CE2 3.72Å; H167-Y453 AromaticContact ND1-CE2 3.31Å; H167-Y453 VanDerWaalsContact ND1-CE2 3.31Å; H167-Y453 WeakPolarHBondContact ND1-CE2 3.27Å; H167-Y453 AromaticContact ND1-CZ 3.52Å; H167-Y453 PolarHBondContact ND1-OH 3.49Å; H167-S528 PolarHBondContact CE1-O 2.89Å; H167-S528 VanDerWaalsContact CE1-O 3.29Å; H167-S528 PolarHBondContact NE2-O 3.41Å; H167-H532 PolarHBondContact NE2-N 3.04Å; H167-L535 HydrophobicContact CB-CD1 3.96Å
168	P	94.1	Very high	95.7	Very high	43 Å²	43	17.7 Å²	17.7	28%	0.279	10%	0.096	S	C	.	.	H	α-helix	trans	-58.5	-34.5	-172.3	-27.2	35.6	0	0	0	115.2	N143 I146 A165 Y170 L171 S172	N143-P168 VanDerWaalsContact OD1-CG 3.25Å; N143-P168 WeakPolarHBondContact OD1-CG 3.22Å; I146-P168 HydrophobicContact CD1-CB 4.28Å; I146-P168 WeakPolarHBondContact CD1-O 3.28Å; I146-P168 HydrophobicContact CG2-CB 4.32Å; A165-P168 WeakPolarHBondContact O-CD 3.5Å; A165-P168 WeakPolarHBondContact O-CG 3.33Å; P168-Y170 VanDerWaalsContact C-N 3.34Å; P168-L171 PolarHBondContact O-N 2.82Å; P168-S172 WeakPolarHBondContact O-CB 2.98Å; P168-S172 PolarHBondContact O-N 3.24Å
169	S	94.1	Very high	95.8	Very high	61 Å²	61	19.3 Å²	19.3	43%	0.427	10%	0.103	S	C	.	.	H	α-helix	trans	-60.7	-43.8	176.1	44.3	0	0	0	0	111.7	H167 L451	H167-S169 VanDerWaalsContact C-N 3.29Å; H167-S169 PolarHBondContact O-N 3Å; S169-L451 VanDerWaalsContact OG-CD1 3.3Å; S169-L451 WeakPolarHBondContact OG-CD1 3.3Å
170	Y	97.5	Very high	95.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-70.4	-45.2	174.8	177.3	-90.4	0	0	0	111.8	M164 H167 P168 S172 C173 F174 V447 V448 L535 M538 E539	M164-Y170 HydrophobicContact CE-CE1 4.22Å; M164-Y170 HydrophobicContact SD-CE1 4.04Å; H167-Y170 PolarHBondContact O-N 3.44Å; P168-Y170 VanDerWaalsContact C-N 3.34Å; Y170-S172 PolarHBondContact O-N 3.33Å; Y170-S172 VanDerWaalsContact O-N 3.16Å; Y170-C173 PolarHBondContact O-N 2.99Å; Y170-C173 PolarHBondContact O-SG 3.42Å; Y170-F174 HydrophobicContact CD1-CB 4.42Å; Y170-F174 HydrophobicContact CE1-CB 3.87Å; Y170-F174 HydrophobicContact CE1-CD2 4.41Å; Y170-F174 HydrophobicContact CE1-CG 4.29Å; Y170-F174 WeakPolarHBondContact O-CB 3.37Å; Y170-F174 PolarHBondContact O-N 3.39Å; Y170-V447 HydrophobicContact CD2-CG1 4.45Å; Y170-V448 HydrophobicContact CD2-CB 4.21Å; Y170-V448 HydrophobicContact CD2-CG2 3.9Å; Y170-V448 HydrophobicContact CE2-CB 4.37Å; Y170-V448 HydrophobicContact CE2-CG2 4.1Å; Y170-L535 HydrophobicContact CD1-CD1 3.66Å; Y170-L535 HydrophobicContact CD1-CD2 3.59Å; Y170-L535 HydrophobicContact CD1-CG 4.22Å; Y170-L535 HydrophobicContact CD2-CD1 4.41Å; Y170-L535 HydrophobicContact CE1-CD1 4.32Å; Y170-L535 HydrophobicContact CE1-CD2 3.39Å; Y170-L535 HydrophobicContact CE1-CG 4.4Å; Y170-L535 HydrophobicContact CG-CD1 3.75Å; Y170-L535 HydrophobicContact CG-CD2 4.32Å; Y170-M538 HydrophobicContact CE1-CE 4.13Å; Y170-M538 WeakPolarHBondContact OH-CE 3.46Å; Y170-E539 HydrophobicContact CE2-CG 4.05Å; Y170-E539 PolarHBondContact OH-OE1 3.4Å
171	L	96.5	Very high	95.8	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-56.2	-36.9	178.5	176.8	60.1	0	0	0	111.9	I146 T161 M164 A165 H167 P168 F174 L175	I146-L171 HydrophobicContact CD1-CB 3.95Å; I146-L171 HydrophobicContact CD1-CD2 3.86Å; I146-L171 HydrophobicContact CD1-CG 3.83Å; I146-L171 HydrophobicContact CG1-CD2 3.95Å; I146-L171 HydrophobicContact CG1-CG 4.32Å; I146-L171 HydrophobicContact CG2-CD2 4.13Å; T161-L171 HydrophobicContact CG2-CD1 4.07Å; T161-L171 HydrophobicContact CG2-CD2 4.1Å; M164-L171 HydrophobicContact CB-CB 4.41Å; M164-L171 HydrophobicContact CB-CD1 3.92Å; A165-L171 HydrophobicContact CB-CD2 3.81Å; H167-L171 PolarHBondContact O-N 2.85Å; P168-L171 PolarHBondContact O-N 2.82Å; L171-F174 HydrophobicContact CD1-CD1 4.14Å; L171-F174 PolarHBondContact O-N 3.35Å; L171-L175 HydrophobicContact CD1-CD1 3.84Å; L171-L175 HydrophobicContact CD1-CD2 4.17Å; L171-L175 HydrophobicContact CD1-CG 3.74Å; L171-L175 HydrophobicContact CG-CD1 3.87Å; L171-L175 HydrophobicContact CG-CG 4.23Å; L171-L175 VanDerWaalsContact O-CG 3.27Å; L171-L175 WeakPolarHBondContact O-CG 3.47Å; L171-L175 PolarHBondContact O-N 3.24Å
172	S	94.6	Very high	95.8	Very high	23 Å²	23	19 Å²	19	16%	0.161	10%	0.102	C	C	.	.	H	α-helix	trans	-62.5	-47.2	178.4	178.3	0	0	0	0	113.7	F9 P168 Y170 R176	F9-S172 WeakPolarHBondContact CZ-OG 3.15Å; P168-S172 WeakPolarHBondContact O-CB 2.98Å; P168-S172 PolarHBondContact O-N 3.24Å; Y170-S172 PolarHBondContact O-N 3.33Å; Y170-S172 VanDerWaalsContact O-N 3.16Å; S172-R176 PolarHBondContact O-N 3.4Å; S172-R176 PolarHBondContact O-NE 3.39Å
173	C	96.5	Very high	95.7	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.007	12%	0.117	C	C	.	.	H	α-helix	trans	-69.9	-39.5	175.5	56.7	0	0	0	0	111.3	Y170 L175 R176 T177 E443 E444 V447	Y170-C173 PolarHBondContact O-N 2.99Å; Y170-C173 PolarHBondContact O-SG 3.42Å; C173-L175 PolarHBondContact O-N 2.96Å; C173-R176 WeakPolarHBondContact O-CB 3.28Å; C173-R176 PolarHBondContact O-N 2.99Å; C173-R176 VanDerWaalsContact O-N 3.12Å; C173-T177 PolarHBondContact O-N 2.8Å; C173-T177 PolarHBondContact O-OG1 3.1Å; C173-E443 HydrophobicContact CB-CG 4.09Å; C173-E444 HydrophobicContact CB-CG 4.08Å; C173-V447 HydrophobicContact CB-CG2 4.5Å
174	F	97.6	Very high	95.5	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.018	14%	0.136	C	C	.	.	H	α-helix	trans	-56.2	-47.8	176.5	172.2	-97	0	0	0	113.4	L160 M164 Y170 L171 R176 T177 Q178 H285 L289 E444	L160-F174 HydrophobicContact CD2-CE1 3.66Å; L160-F174 HydrophobicContact CD2-CZ 3.7Å; M164-F174 HydrophobicContact CE-CD2 4.18Å; M164-F174 HydrophobicContact CE-CE1 4.39Å; M164-F174 HydrophobicContact CE-CE2 3.97Å; M164-F174 HydrophobicContact CE-CG 4.48Å; M164-F174 HydrophobicContact CE-CZ 4.08Å; M164-F174 HydrophobicContact SD-CD1 3.62Å; M164-F174 HydrophobicContact SD-CD2 4.14Å; M164-F174 HydrophobicContact SD-CE1 3.72Å; M164-F174 HydrophobicContact SD-CE2 4.22Å; M164-F174 HydrophobicContact SD-CG 3.84Å; M164-F174 HydrophobicContact SD-CZ 4.02Å; Y170-F174 HydrophobicContact CD1-CB 4.42Å; Y170-F174 HydrophobicContact CE1-CB 3.87Å; Y170-F174 HydrophobicContact CE1-CD2 4.41Å; Y170-F174 HydrophobicContact CE1-CG 4.29Å; Y170-F174 WeakPolarHBondContact O-CB 3.37Å; Y170-F174 PolarHBondContact O-N 3.39Å; L171-F174 HydrophobicContact CD1-CD1 4.14Å; L171-F174 PolarHBondContact O-N 3.35Å; F174-R176 VanDerWaalsContact C-N 3.28Å; F174-R176 PolarHBondContact O-N 3.02Å; F174-T177 PolarHBondContact O-N 3.11Å; F174-Q178 HydrophobicContact CD1-CG 4.18Å; F174-Q178 HydrophobicContact CD2-CG 4.43Å; F174-Q178 HydrophobicContact CE1-CG 3.64Å; F174-Q178 HydrophobicContact CE2-CG 3.92Å; F174-Q178 HydrophobicContact CZ-CG 3.49Å; F174-Q178 VanDerWaalsContact CZ-CG 3.49Å; F174-Q178 WeakPolarHBondContact O-CG 3.36Å; F174-Q178 PolarHBondContact O-N 2.74Å; F174-H285 AromaticContact CE2-CE1 3.94Å; F174-H285 AromaticContact CE2-NE2 3.77Å; F174-L289 HydrophobicContact CE2-CD1 4.3Å; F174-L289 HydrophobicContact CE2-CD2 3.55Å; F174-L289 HydrophobicContact CE2-CG 4.34Å; F174-L289 HydrophobicContact CZ-CD1 4.27Å; F174-L289 HydrophobicContact CZ-CD2 3.81Å; F174-E444 VanDerWaalsContact CA-OE1 3.27Å; F174-E444 WeakPolarHBondContact CA-OE1 3.46Å
175	L	95.4	Very high	95.4	Very high	31 Å²	31	34.1 Å²	34.1	16%	0.162	18%	0.18	C	C	.	.	H	α-helix	trans	-64.5	-33.5	179.3	-69.8	171.7	0	0	0	112.3	S150 L154 L171 C173 H179	S150-L175 WeakPolarHBondContact OG-CD1 3.39Å; L154-L175 HydrophobicContact CD1-CD2 4.05Å; L171-L175 HydrophobicContact CD1-CD1 3.84Å; L171-L175 HydrophobicContact CD1-CD2 4.17Å; L171-L175 HydrophobicContact CD1-CG 3.74Å; L171-L175 HydrophobicContact CG-CD1 3.87Å; L171-L175 HydrophobicContact CG-CG 4.23Å; L171-L175 VanDerWaalsContact O-CG 3.27Å; L171-L175 WeakPolarHBondContact O-CG 3.47Å; L171-L175 PolarHBondContact O-N 3.24Å; C173-L175 PolarHBondContact O-N 2.96Å; L175-H179 WeakPolarHBondContact O-CB 3.42Å; L175-H179 PolarHBondContact O-N 2.85Å
176	R	95.4	Very high	95.3	Very high	79 Å²	79	35.7 Å²	35.7	30%	0.298	20%	0.196	S	C	.	.	H	α-helix	trans	-68.1	-44.7	174.6	-75.3	-176.6	-72.3	149.8	-2.3	111.5	S172 C173 F174 Q178 H179 A180 F440 E443	S172-R176 PolarHBondContact O-N 3.4Å; S172-R176 PolarHBondContact O-NE 3.39Å; C173-R176 WeakPolarHBondContact O-CB 3.28Å; C173-R176 PolarHBondContact O-N 2.99Å; C173-R176 VanDerWaalsContact O-N 3.12Å; F174-R176 VanDerWaalsContact C-N 3.28Å; F174-R176 PolarHBondContact O-N 3.02Å; R176-Q178 PolarHBondContact O-N 3.04Å; R176-H179 PolarHBondContact O-N 2.9Å; R176-A180 WeakPolarHBondContact O-CB 3.36Å; R176-A180 PolarHBondContact O-N 2.98Å; R176-F440 HydrophobicContact CB-CD1 4.25Å; R176-F440 HydrophobicContact CB-CE1 4.17Å; R176-E443 IonicContact CZ-OE1 2.79Å; R176-E443 IonicContact CZ-OE2 3.04Å; R176-E443 VanDerWaalsContact NH1-CD 3.33Å; R176-E443 IonicContact NH1-OE1 3.55Å; R176-E443 PolarHBondContact NH1-OE1 3.22Å; R176-E443 VanDerWaalsContact NH1-OE1 3.12Å; R176-E443 IonicContact NH1-OE2 3.76Å; R176-E443 PolarHBondContact NH1-OE2 2.82Å; R176-E443 IonicContact NH2-OE1 3.93Å; R176-E443 PolarHBondContact NH2-OE1 3.38Å; R176-E443 IonicContact NH2-OE2 2.58Å; R176-E443 PolarHBondContact NH2-OE2 3.44Å; R176-E443 VanDerWaalsContact NH2-OE2 3.15Å
177	T	97.1	Very high	95.4	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-62.7	-42.5	174.8	-54.3	0	0	0	0	111.5	C173 F174 H179 A180 L181 M437 F440 L441 E444	C173-T177 PolarHBondContact O-N 2.8Å; C173-T177 PolarHBondContact O-OG1 3.1Å; F174-T177 PolarHBondContact O-N 3.11Å; T177-H179 VanDerWaalsContact C-N 3.35Å; T177-H179 PolarHBondContact O-N 2.73Å; T177-A180 PolarHBondContact O-N 2.81Å; T177-L181 HydrophobicContact CG2-CD1 3.84Å; T177-L181 HydrophobicContact CG2-CG 4.17Å; T177-L181 WeakPolarHBondContact O-CB 3.38Å; T177-L181 WeakPolarHBondContact O-CG 3.5Å; T177-L181 PolarHBondContact O-N 2.95Å; T177-M437 HydrophobicContact CG2-SD 4.33Å; T177-F440 HydrophobicContact CG2-CB 4.28Å; T177-L441 HydrophobicContact CG2-CD2 4.33Å; T177-E444 WeakPolarHBondContact CB-OE2 3.48Å; T177-E444 WeakPolarHBondContact CG2-OE2 3.27Å; T177-E444 PolarHBondContact OG1-OE2 3.05Å
178	Q	95.2	Very high	95.5	Very high	37 Å²	37	36.2 Å²	36.2	17%	0.173	20%	0.202	C	C	.	.	H	α-helix	trans	-56.5	-48.3	174.7	-77.4	-62.7	-80.9	0	0	112.1	F174 R176 A180 L181 F182 H285	F174-Q178 HydrophobicContact CD1-CG 4.18Å; F174-Q178 HydrophobicContact CD2-CG 4.43Å; F174-Q178 HydrophobicContact CE1-CG 3.64Å; F174-Q178 HydrophobicContact CE2-CG 3.92Å; F174-Q178 HydrophobicContact CZ-CG 3.49Å; F174-Q178 VanDerWaalsContact CZ-CG 3.49Å; F174-Q178 WeakPolarHBondContact O-CG 3.36Å; F174-Q178 PolarHBondContact O-N 2.74Å; R176-Q178 PolarHBondContact O-N 3.04Å; Q178-A180 PolarHBondContact O-N 3.42Å; Q178-L181 PolarHBondContact O-N 3.25Å; Q178-F182 WeakPolarHBondContact O-CD2 3.47Å; Q178-F182 PolarHBondContact O-N 3.04Å; Q178-F182 VanDerWaalsContact O-N 3.08Å; Q178-H285 PolarHBondContact NE2-CD2 3.37Å; Q178-H285 PolarHBondContact NE2-NE2 3.4Å
179	H	94.5	Very high	95.7	Very high	52 Å²	52	37.1 Å²	37.1	24%	0.241	21%	0.208	C	C	.	.	H	α-helix	trans	-62.1	-44.1	177.5	-175.1	77	0	0	0	111.7	F11 L175 R176 T177 L181 F182 E183 L184	F11-H179 AromaticContact CE1-CD2 3.6Å; F11-H179 AromaticContact CE1-CE1 3.8Å; F11-H179 AromaticContact CE1-CG 3.82Å; F11-H179 AromaticContact CE1-ND1 3.94Å; F11-H179 AromaticContact CE1-NE2 3.58Å; F11-H179 HydrophobicContact CZ-CB 4.44Å; L175-H179 WeakPolarHBondContact O-CB 3.42Å; L175-H179 PolarHBondContact O-N 2.85Å; R176-H179 PolarHBondContact O-N 2.9Å; T177-H179 VanDerWaalsContact C-N 3.35Å; T177-H179 PolarHBondContact O-N 2.73Å; H179-L181 VanDerWaalsContact C-N 3.33Å; H179-L181 PolarHBondContact O-N 2.73Å; H179-F182 PolarHBondContact O-N 3.11Å; H179-E183 VanDerWaalsContact CE1-CB 3.44Å; H179-E183 WeakPolarHBondContact CE1-CB 3.5Å; H179-E183 WeakPolarHBondContact ND1-CB 3.23Å; H179-E183 WeakPolarHBondContact O-CA 3.48Å; H179-E183 WeakPolarHBondContact O-CB 3.33Å; H179-E183 PolarHBondContact O-N 2.98Å; H179-L184 WeakPolarHBondContact NE2-CD2 3.34Å; H179-L184 PolarHBondContact O-N 2.75Å
180	A	95.9	Very high	95.9	Very high	9 Å²	9	38.5 Å²	38.5	7%	0.074	20%	0.204	C	C	.	.	H	α-helix	trans	-61.5	-40.3	176.9	0	0	0	0	0	112.7	R176 T177 Q178 L184 M437 F440	R176-A180 WeakPolarHBondContact O-CB 3.36Å; R176-A180 PolarHBondContact O-N 2.98Å; T177-A180 PolarHBondContact O-N 2.81Å; Q178-A180 PolarHBondContact O-N 3.42Å; A180-L184 HydrophobicContact CB-CD1 4.04Å; A180-M437 HydrophobicContact CB-CE 3.82Å; A180-F440 HydrophobicContact CB-CD2 3.58Å; A180-F440 HydrophobicContact CB-CE2 3.54Å; A180-F440 HydrophobicContact CB-CG 4.17Å; A180-F440 HydrophobicContact CB-CZ 4.1Å
181	L	96.6	Very high	95.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-68.7	-43	-178.8	-79.1	171	0	0	0	112.5	T177 Q178 H179 R193 H278 I281 L282 H285 M437	T177-L181 HydrophobicContact CG2-CD1 3.84Å; T177-L181 HydrophobicContact CG2-CG 4.17Å; T177-L181 WeakPolarHBondContact O-CB 3.38Å; T177-L181 WeakPolarHBondContact O-CG 3.5Å; T177-L181 PolarHBondContact O-N 2.95Å; Q178-L181 PolarHBondContact O-N 3.25Å; H179-L181 VanDerWaalsContact C-N 3.33Å; H179-L181 PolarHBondContact O-N 2.73Å; L181-R193 VanDerWaalsContact O-CD 3.25Å; L181-R193 WeakPolarHBondContact O-CD 3.49Å; L181-R193 PolarHBondContact O-NH1 3.07Å; L181-H278 PolarHBondContact O-NE2 3.07Å; L181-I281 HydrophobicContact CD2-CB 4.46Å; L181-I281 HydrophobicContact CD2-CG2 3.63Å; L181-L282 HydrophobicContact CB-CD2 4.22Å; L181-L282 HydrophobicContact CD2-CD2 4.27Å; L181-H285 HydrophobicContact CD1-CB 4.31Å; L181-M437 HydrophobicContact CB-CE 4.48Å; L181-M437 HydrophobicContact CD2-CE 3.55Å; L181-M437 HydrophobicContact CD2-SD 3.68Å; L181-M437 HydrophobicContact CG-CE 3.8Å; L181-M437 HydrophobicContact CG-SD 3.96Å
182	F	95.8	Very high	96	Very high	8 Å²	8	42.5 Å²	42.5	4%	0.035	22%	0.221	C	C	.	.	H	α-helix	trans	-107.9	-28.7	-167.5	-67.9	-75	0	0	0	114.9	Q178 H179 R193 H194 S197 H213 L282	Q178-F182 WeakPolarHBondContact O-CD2 3.47Å; Q178-F182 PolarHBondContact O-N 3.04Å; Q178-F182 VanDerWaalsContact O-N 3.08Å; H179-F182 PolarHBondContact O-N 3.11Å; F182-R193 HydrophobicContact CD1-CB 3.99Å; F182-R193 HydrophobicContact CE1-CB 4.25Å; F182-H194 AromaticContact CD1-CE1 3.25Å; F182-H194 WeakPolarHBondContact CD1-CE1 3.24Å; F182-H194 AromaticContact CD1-ND1 3.25Å; F182-H194 VanDerWaalsContact CD1-ND1 3.25Å; F182-H194 WeakPolarHBondContact CD1-ND1 3.11Å; F182-H194 AromaticContact CE1-CE1 3.95Å; F182-H194 AromaticContact CE1-ND1 3.5Å; F182-H194 AromaticContact CG-CE1 3.65Å; F182-S197 WeakPolarHBondContact CZ-OG 3.13Å; F182-H213 AromaticContact CE1-CE1 3.93Å; F182-H213 AromaticContact CE2-CE1 3.99Å; F182-H213 AromaticContact CZ-CE1 3.47Å; F182-H213 VanDerWaalsContact CZ-CE1 3.47Å; F182-H213 WeakPolarHBondContact CZ-CE1 3.44Å; F182-L282 HydrophobicContact CD1-CD2 4.1Å; F182-L282 HydrophobicContact CE1-CD2 3.46Å; F182-L282 VanDerWaalsContact CE1-CD2 3.46Å; F182-L282 HydrophobicContact CE2-CD2 4.21Å; F182-L282 HydrophobicContact CZ-CD2 3.52Å
183	E	92.3	Very high	96.2	Very high	80 Å²	80	42 Å²	42	37%	0.374	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-34.2	-170.4	-58	-58.8	154.4	0	0	113.5	H179 R190	H179-E183 VanDerWaalsContact CE1-CB 3.44Å; H179-E183 WeakPolarHBondContact CE1-CB 3.5Å; H179-E183 WeakPolarHBondContact ND1-CB 3.23Å; H179-E183 WeakPolarHBondContact O-CA 3.48Å; H179-E183 WeakPolarHBondContact O-CB 3.33Å; H179-E183 PolarHBondContact O-N 2.98Å; E183-R190 IonicContact OE1-CZ 3.11Å; E183-R190 IonicContact OE1-NE 3.67Å; E183-R190 PolarHBondContact OE1-NE 3.45Å; E183-R190 IonicContact OE1-NH2 2.76Å; E183-R190 PolarHBondContact OE1-NH2 2.88Å; E183-R190 IonicContact OE2-CZ 2.77Å; E183-R190 VanDerWaalsContact OE2-CZ 3.28Å; E183-R190 IonicContact OE2-NE 2.83Å; E183-R190 PolarHBondContact OE2-NE 3.23Å; E183-R190 IonicContact OE2-NH2 2.65Å; E183-R190 PolarHBondContact OE2-NH2 2.74Å; E183-R190 VanDerWaalsContact OE2-NH2 3.11Å
184	L	94	Very high	96.3	Very high	77 Å²	77	42.3 Å²	42.3	40%	0.403	22%	0.217	S	C	.	.	S	Bend	trans	-71.6	155.2	178.1	-62.4	-173.9	0	0	0	112.3	H179 A180 G186 R193	H179-L184 WeakPolarHBondContact NE2-CD2 3.34Å; H179-L184 PolarHBondContact O-N 2.75Å; A180-L184 HydrophobicContact CB-CD1 4.04Å; L184-G186 PolarHBondContact O-N 3.38Å; L184-R193 VanDerWaalsContact O-CZ 3.25Å; L184-R193 PolarHBondContact O-NH1 3.03Å; L184-R193 PolarHBondContact O-NH2 2.84Å
185	D	93.2	Very high	96.4	Very high	173 Å²	173	42.1 Å²	42.1	93%	0.925	22%	0.216	S	C	*	.			trans	-57.8	138.9	174.4	-73.5	-28.8	0	0	0	111
186	G	94.6	Very high	96.5	Very high	34 Å²	34	40.7 Å²	40.7	35%	0.351	21%	0.209	S	C	.	.			trans	-167	173.8	-174.8	0	0	0	0	0	112.3	L184 L188 R193	L184-G186 PolarHBondContact O-N 3.38Å; G186-L188 PolarHBondContact O-N 3.03Å; G186-R193 VanDerWaalsContact N-NH2 3.12Å
187	P	97.4	Very high	96.7	Very high	44 Å²	44	36.9 Å²	36.9	29%	0.286	19%	0.194	S	C	.	.	S	Bend	trans	-59.1	-30.5	-173.3	-27.9	36.1	0	0	0	114.8	A274 E275 L434	P187-A274 HydrophobicContact CB-CB 4.2Å; P187-A274 HydrophobicContact CG-CB 3.85Å; P187-E275 HydrophobicContact CB-CB 4.47Å; P187-E275 HydrophobicContact CB-CG 4Å; P187-L434 VanDerWaalsContact CD-CD1 3.44Å; P187-L434 HydrophobicContact CG-CD1 3.86Å
188	L	98.1	Very high	96.8	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.016	19%	0.194	C	C	.	.	S	Bend	trans	-101.6	142.4	-179.2	-65.2	175.1	0	0	0	112.5	G186 R193 W271 E275 H278 A279 L282	G186-L188 PolarHBondContact O-N 3.03Å; L188-R193 HydrophobicContact CB-CG 3.83Å; L188-R193 PolarHBondContact O-NE 2.75Å; L188-R193 PolarHBondContact O-NH2 3.21Å; L188-W271 HydrophobicContact CD1-CZ3 4.26Å; L188-W271 HydrophobicContact CD2-CH2 4.17Å; L188-W271 HydrophobicContact CD2-CZ3 3.71Å; L188-E275 HydrophobicContact CD2-CB 3.98Å; L188-E275 HydrophobicContact CD2-CG 4Å; L188-H278 HydrophobicContact CD1-CB 4.11Å; L188-H278 HydrophobicContact CG-CB 4.39Å; L188-A279 HydrophobicContact CD1-CB 4.1Å; L188-L282 HydrophobicContact CD1-CD1 4.2Å
189	P	97.8	Very high	96.9	Very high	63 Å²	63	35.2 Å²	35.2	41%	0.409	19%	0.186	S	C	.	.			trans	-58.1	147.1	167.9	-24.6	35.1	0	0	0	112.5	D191 W192 R193	P189-D191 WeakPolarHBondContact CB-OD1 3.36Å; P189-D191 PolarHBondContact O-N 3.46Å; P189-W192 HydrophobicContact CB-CB 4.3Å; P189-W192 HydrophobicContact CB-CG 4.13Å; P189-W192 HydrophobicContact CG-CD2 4.47Å; P189-W192 HydrophobicContact CG-CG 4.15Å; P189-W192 WeakPolarHBondContact O-CB 2.91Å; P189-W192 PolarHBondContact O-N 2.83Å; P189-R193 WeakPolarHBondContact O-CG 3.45Å; P189-R193 PolarHBondContact O-N 3.42Å
190	R	97.8	Very high	97.1	Very high	90 Å²	90	32.7 Å²	32.7	34%	0.34	18%	0.175	S	C	.	.	H	α-helix	trans	-57.6	-44.7	-173.3	-176.1	172.7	179.5	-117.2	-1.6	113.4	E183 R193 H194 A220	E183-R190 IonicContact OE1-CZ 3.11Å; E183-R190 IonicContact OE1-NE 3.67Å; E183-R190 PolarHBondContact OE1-NE 3.45Å; E183-R190 IonicContact OE1-NH2 2.76Å; E183-R190 PolarHBondContact OE1-NH2 2.88Å; E183-R190 IonicContact OE2-CZ 2.77Å; E183-R190 VanDerWaalsContact OE2-CZ 3.28Å; E183-R190 IonicContact OE2-NE 2.83Å; E183-R190 PolarHBondContact OE2-NE 3.23Å; E183-R190 IonicContact OE2-NH2 2.65Å; E183-R190 PolarHBondContact OE2-NH2 2.74Å; E183-R190 VanDerWaalsContact OE2-NH2 3.11Å; R190-R193 WeakPolarHBondContact O-CB 3.38Å; R190-R193 PolarHBondContact O-N 3.06Å; R190-H194 PolarHBondContact O-CD2 3.37Å; R190-H194 PolarHBondContact O-N 2.98Å; R190-A220 HydrophobicContact CB-CB 4.25Å; R190-A220 HydrophobicContact CG-CB 3.88Å
191	D	98.1	Very high	97.2	Very high	31 Å²	31	32.3 Å²	32.3	17%	0.166	17%	0.171	C	C	.	.	H	α-helix	trans	-60	-45.5	173.8	61.5	-36	0	0	0	111.2	P189 R193 H194 Y195 F217 A220	P189-D191 WeakPolarHBondContact CB-OD1 3.36Å; P189-D191 PolarHBondContact O-N 3.46Å; D191-R193 VanDerWaalsContact C-N 3.28Å; D191-R193 PolarHBondContact O-N 2.87Å; D191-H194 PolarHBondContact O-N 3.28Å; D191-Y195 PolarHBondContact O-N 3.08Å; D191-F217 HydrophobicContact CB-CD2 3.86Å; D191-F217 HydrophobicContact CB-CE2 4.01Å; D191-F217 VanDerWaalsContact O-CD2 3.24Å; D191-F217 WeakPolarHBondContact O-CD2 3.42Å; D191-A220 HydrophobicContact CB-CB 3.93Å
192	W	98.6	Very high	97.3	Very high	53 Å²	53	32.3 Å²	32.3	20%	0.201	17%	0.171	C	C	.	.	H	α-helix	trans	-59.8	-39.2	177.4	-72.8	43.1	0	0	0	112.1	P189 H194 Y195 V196 W226 P234 K236 L237	P189-W192 HydrophobicContact CB-CB 4.3Å; P189-W192 HydrophobicContact CB-CG 4.13Å; P189-W192 HydrophobicContact CG-CD2 4.47Å; P189-W192 HydrophobicContact CG-CG 4.15Å; P189-W192 WeakPolarHBondContact O-CB 2.91Å; P189-W192 PolarHBondContact O-N 2.83Å; W192-H194 PolarHBondContact O-N 3.5Å; W192-Y195 PolarHBondContact O-N 2.96Å; W192-V196 VanDerWaalsContact O-CG2 3.32Å; W192-V196 WeakPolarHBondContact O-CG2 3.36Å; W192-V196 PolarHBondContact O-N 3.32Å; W192-W226 AromaticContact NE1-CH2 3.66Å; W192-P234 HydrophobicContact CH2-CB 4.45Å; W192-P234 HydrophobicContact CZ2-CG 4.33Å; W192-K236 HydrophobicContact CH2-CB 4.27Å; W192-K236 HydrophobicContact CH2-CD 4.33Å; W192-K236 HydrophobicContact CZ3-CB 4.15Å; W192-K236 HydrophobicContact CZ3-CD 3.97Å; W192-K236 HydrophobicContact CZ3-CG 4.17Å; W192-L237 HydrophobicContact CD2-CD1 3.98Å; W192-L237 HydrophobicContact CD2-CD2 4.28Å; W192-L237 HydrophobicContact CD2-CG 4.28Å; W192-L237 HydrophobicContact CE3-CD1 4.02Å; W192-L237 HydrophobicContact CE3-CD2 3.63Å; W192-L237 HydrophobicContact CE3-CG 3.79Å; W192-L237 HydrophobicContact CG-CD1 4.29Å; W192-L237 HydrophobicContact CZ3-CD1 4.48Å; W192-L237 HydrophobicContact CZ3-CD2 4.16Å; W192-L237 HydrophobicContact CZ3-CG 3.99Å
193	R	98.7	Very high	97.3	Very high	11 Å²	11	32 Å²	32	4%	0.042	17%	0.17	C	C	.	.	H	α-helix	trans	-60	-46.8	177.2	-59.6	174.4	-159.6	-171.7	9.7	111.4	L181 F182 L184 G186 L188 P189 R190 D191 V196 S197 H278 L282	L181-R193 VanDerWaalsContact O-CD 3.25Å; L181-R193 WeakPolarHBondContact O-CD 3.49Å; L181-R193 PolarHBondContact O-NH1 3.07Å; F182-R193 HydrophobicContact CD1-CB 3.99Å; F182-R193 HydrophobicContact CE1-CB 4.25Å; L184-R193 VanDerWaalsContact O-CZ 3.25Å; L184-R193 PolarHBondContact O-NH1 3.03Å; L184-R193 PolarHBondContact O-NH2 2.84Å; G186-R193 VanDerWaalsContact N-NH2 3.12Å; L188-R193 HydrophobicContact CB-CG 3.83Å; L188-R193 PolarHBondContact O-NE 2.75Å; L188-R193 PolarHBondContact O-NH2 3.21Å; P189-R193 WeakPolarHBondContact O-CG 3.45Å; P189-R193 PolarHBondContact O-N 3.42Å; R190-R193 WeakPolarHBondContact O-CB 3.38Å; R190-R193 PolarHBondContact O-N 3.06Å; D191-R193 VanDerWaalsContact C-N 3.28Å; D191-R193 PolarHBondContact O-N 2.87Å; R193-V196 PolarHBondContact O-N 2.92Å; R193-S197 PolarHBondContact O-N 2.83Å; R193-S197 VanDerWaalsContact O-N 3.14Å; R193-S197 PolarHBondContact O-OG 3.34Å; R193-H278 PolarHBondContact NE-CE1 3.21Å; R193-H278 VanDerWaalsContact NE-CE1 3.34Å; R193-L282 HydrophobicContact CB-CD1 3.75Å; R193-L282 HydrophobicContact CB-CD2 4.33Å; R193-L282 HydrophobicContact CG-CD1 3.88Å
194	H	98.7	Very high	97.5	Very high	8 Å²	8	28.2 Å²	28.2	4%	0.037	15%	0.152	C	C	.	.	H	α-helix	trans	-65.9	-39.1	177.2	-69.4	-48.7	0	0	0	112.2	F182 R190 D191 W192 V196 S197 V198 H213 A216 F217	F182-H194 AromaticContact CD1-CE1 3.25Å; F182-H194 WeakPolarHBondContact CD1-CE1 3.24Å; F182-H194 AromaticContact CD1-ND1 3.25Å; F182-H194 VanDerWaalsContact CD1-ND1 3.25Å; F182-H194 WeakPolarHBondContact CD1-ND1 3.11Å; F182-H194 AromaticContact CE1-CE1 3.95Å; F182-H194 AromaticContact CE1-ND1 3.5Å; F182-H194 AromaticContact CG-CE1 3.65Å; R190-H194 PolarHBondContact O-CD2 3.37Å; R190-H194 PolarHBondContact O-N 2.98Å; D191-H194 PolarHBondContact O-N 3.28Å; W192-H194 PolarHBondContact O-N 3.5Å; H194-V196 PolarHBondContact O-N 3.21Å; H194-S197 CarbonylContact O-C 3.2Å; H194-S197 WeakPolarHBondContact O-CB 3.18Å; H194-S197 PolarHBondContact O-N 3.19Å; H194-V198 WeakPolarHBondContact O-CG2 3.42Å; H194-V198 PolarHBondContact O-N 3.06Å; H194-H213 AromaticContact ND1-ND1 3.48Å; H194-H213 PolarHBondContact ND1-ND1 3.43Å; H194-A216 PolarHBondContact CD2-O 3.47Å; H194-F217 HydrophobicContact CB-CB 3.83Å
195	Y	98.8	Very high	97.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.1	-37.7	176.7	-166.6	-93.9	0	0	0	112.8	D191 W192 S197 V198 M199 F217 W226 L227 A233 L237	D191-Y195 PolarHBondContact O-N 3.08Å; W192-Y195 PolarHBondContact O-N 2.96Å; Y195-S197 VanDerWaalsContact C-N 3.29Å; Y195-S197 PolarHBondContact O-N 3.03Å; Y195-V198 WeakPolarHBondContact O-CB 3.16Å; Y195-V198 PolarHBondContact O-N 3.37Å; Y195-V198 VanDerWaalsContact O-N 3.15Å; Y195-M199 HydrophobicContact CD1-CG 4.15Å; Y195-M199 HydrophobicContact CD1-SD 3.85Å; Y195-M199 HydrophobicContact CE1-CG 3.8Å; Y195-M199 HydrophobicContact CE1-SD 3.58Å; Y195-M199 VanDerWaalsContact CE1-SD 3.58Å; Y195-M199 WeakPolarHBondContact O-CG 3.46Å; Y195-M199 PolarHBondContact O-N 2.88Å; Y195-F217 HydrophobicContact CD2-CD2 4.46Å; Y195-F217 HydrophobicContact CD2-CE1 4.43Å; Y195-F217 HydrophobicContact CD2-CE2 4.19Å; Y195-F217 HydrophobicContact CD2-CZ 4.15Å; Y195-F217 HydrophobicContact CG-CE2 4.4Å; Y195-W226 HydrophobicContact CD1-CE3 4.16Å; Y195-W226 HydrophobicContact CD2-CB 4Å; Y195-W226 AromaticContact CD2-CE3 3.97Å; Y195-W226 HydrophobicContact CD2-CE3 3.97Å; Y195-W226 HydrophobicContact CE1-CE3 4.49Å; Y195-W226 HydrophobicContact CE2-CB 3.43Å; Y195-W226 VanDerWaalsContact CE2-CB 3.43Å; Y195-W226 HydrophobicContact CE2-CE3 4.35Å; Y195-W226 AromaticContact CG-CE3 3.88Å; Y195-W226 HydrophobicContact CG-CE3 3.88Å; Y195-W226 HydrophobicContact CG-CZ3 4.48Å; Y195-W226 PolarHBondContact OH-O 3.33Å; Y195-W226 VanDerWaalsContact OH-O 3.07Å; Y195-L227 HydrophobicContact CD2-CD2 4.2Å; Y195-L227 HydrophobicContact CE2-CD2 4.13Å; Y195-A233 HydrophobicContact CD1-CB 4.49Å; Y195-A233 HydrophobicContact CE1-CB 3.51Å; Y195-L237 HydrophobicContact CD1-CD1 3.83Å
196	V	98.8	Very high	97.7	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.006	10%	0.095	C	C	.	.	H	α-helix	trans	-58.2	-43.8	171	169.6	0	0	0	0	110.6	W192 R193 H194 M199 A200 L237 L240 L282 M283	W192-V196 VanDerWaalsContact O-CG2 3.32Å; W192-V196 WeakPolarHBondContact O-CG2 3.36Å; W192-V196 PolarHBondContact O-N 3.32Å; R193-V196 PolarHBondContact O-N 2.92Å; H194-V196 PolarHBondContact O-N 3.21Å; V196-M199 PolarHBondContact O-N 3.19Å; V196-A200 PolarHBondContact O-N 3.33Å; V196-L237 HydrophobicContact CG2-CD2 3.67Å; V196-L240 HydrophobicContact CG2-CD1 4.03Å; V196-L282 HydrophobicContact CG1-CB 3.98Å; V196-M283 HydrophobicContact CG1-CG 3.54Å; V196-M283 HydrophobicContact CG1-SD 4.48Å
197	S	98.8	Very high	97.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-65.9	-34.5	174.7	-69.1	0	0	0	0	113.3	F182 R193 H194 Y195 A200 A201 H213 T286	F182-S197 WeakPolarHBondContact CZ-OG 3.13Å; R193-S197 PolarHBondContact O-N 2.83Å; R193-S197 VanDerWaalsContact O-N 3.14Å; R193-S197 PolarHBondContact O-OG 3.34Å; H194-S197 CarbonylContact O-C 3.2Å; H194-S197 WeakPolarHBondContact O-CB 3.18Å; H194-S197 PolarHBondContact O-N 3.19Å; Y195-S197 VanDerWaalsContact C-N 3.29Å; Y195-S197 PolarHBondContact O-N 3.03Å; S197-A200 PolarHBondContact O-N 3.03Å; S197-A201 VanDerWaalsContact O-CB 3.31Å; S197-A201 WeakPolarHBondContact O-CB 3.32Å; S197-A201 PolarHBondContact O-N 3.44Å; S197-H213 VanDerWaalsContact CB-CD2 3.41Å; S197-H213 WeakPolarHBondContact CB-CD2 3.49Å; S197-T286 VanDerWaalsContact CB-OG1 3.31Å; S197-T286 WeakPolarHBondContact CB-OG1 3.27Å; S197-T286 WeakPolarHBondContact O-CG2 3.24Å; S197-T286 PolarHBondContact OG-OG1 2.73Å
198	V	98.7	Very high	97.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-59.1	-48.1	171.5	169	0	0	0	0	110.7	H194 Y195 A200 A201 A202 V210 H213 L227 L393	H194-V198 WeakPolarHBondContact O-CG2 3.42Å; H194-V198 PolarHBondContact O-N 3.06Å; Y195-V198 WeakPolarHBondContact O-CB 3.16Å; Y195-V198 PolarHBondContact O-N 3.37Å; Y195-V198 VanDerWaalsContact O-N 3.15Å; V198-A200 VanDerWaalsContact C-N 3.34Å; V198-A200 PolarHBondContact O-N 2.82Å; V198-A201 PolarHBondContact O-N 2.91Å; V198-A202 WeakPolarHBondContact O-CB 3.19Å; V198-A202 PolarHBondContact O-N 3.34Å; V198-A202 VanDerWaalsContact O-N 3.08Å; V198-V210 HydrophobicContact CG1-CG1 4.36Å; V198-H213 HydrophobicContact CG2-CB 3.63Å; V198-L227 HydrophobicContact CG1-CD2 4.4Å; V198-L227 HydrophobicContact CG2-CD2 4.48Å; V198-L393 HydrophobicContact CG1-CD1 3.68Å; V198-L393 HydrophobicContact CG1-CD2 4.11Å; V198-L393 HydrophobicContact CG1-CG 4.4Å
199	M	98.4	Very high	97.7	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.01	8%	0.081	C	C	.	.	H	α-helix	trans	-62.2	-40.1	177.8	-67.8	173.9	56.1	0	0	112.3	Y195 V196 I230 L237 N244	Y195-M199 HydrophobicContact CD1-CG 4.15Å; Y195-M199 HydrophobicContact CD1-SD 3.85Å; Y195-M199 HydrophobicContact CE1-CG 3.8Å; Y195-M199 HydrophobicContact CE1-SD 3.58Å; Y195-M199 VanDerWaalsContact CE1-SD 3.58Å; Y195-M199 WeakPolarHBondContact O-CG 3.46Å; Y195-M199 PolarHBondContact O-N 2.88Å; V196-M199 PolarHBondContact O-N 3.19Å; M199-I230 HydrophobicContact CE-CD1 3.82Å; M199-L237 HydrophobicContact SD-CB 4.48Å; M199-N244 PolarHBondContact O-ND2 2.93Å; M199-N244 VanDerWaalsContact O-ND2 3.08Å
200	A	98.7	Very high	97.7	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-66.4	-48.4	177.4	0	0	0	0	0	111.7	V196 S197 V198 A202 R203 M283 T286 H287	V196-A200 PolarHBondContact O-N 3.33Å; S197-A200 PolarHBondContact O-N 3.03Å; V198-A200 VanDerWaalsContact C-N 3.34Å; V198-A200 PolarHBondContact O-N 2.82Å; A200-A202 VanDerWaalsContact C-N 3.26Å; A200-A202 PolarHBondContact O-N 3.48Å; A200-R203 VanDerWaalsContact O-CB 3.31Å; A200-R203 WeakPolarHBondContact O-CB 3.38Å; A200-R203 PolarHBondContact O-N 3.45Å; A200-M283 HydrophobicContact CB-CB 4.19Å; A200-M283 HydrophobicContact CB-CG 4.17Å; A200-T286 HydrophobicContact CB-CG2 4.04Å; A200-H287 WeakPolarHBondContact CA-NE2 3.32Å; A200-H287 WeakPolarHBondContact CB-NE2 3.02Å; A200-H287 PolarHBondContact O-CD2 2.96Å; A200-H287 VanDerWaalsContact O-CD2 3.25Å; A200-H287 PolarHBondContact O-NE2 3.34Å
201	A	98.5	Very high	97.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-60	-36.5	179.1	0	0	0	0	0	113.1	S197 V198 R203 H204 H205 C206 M209 V210 T286	S197-A201 VanDerWaalsContact O-CB 3.31Å; S197-A201 WeakPolarHBondContact O-CB 3.32Å; S197-A201 PolarHBondContact O-N 3.44Å; V198-A201 PolarHBondContact O-N 2.91Å; A201-R203 PolarHBondContact O-N 3.19Å; A201-H204 PolarHBondContact O-N 3.18Å; A201-H204 VanDerWaalsContact O-N 3.15Å; A201-H205 PolarHBondContact O-N 3.08Å; A201-C206 PolarHBondContact O-N 2.96Å; A201-C206 VanDerWaalsContact O-N 3.16Å; A201-M209 HydrophobicContact CB-CB 3.56Å; A201-V210 HydrophobicContact CB-CG2 3.75Å; A201-T286 HydrophobicContact CB-CG2 3.86Å
202	A	97.6	Very high	97.5	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-63.1	-27.3	177.3	0	0	0	0	0	113	V198 A200 H204 H205 V210 V390 L393 V394	V198-A202 WeakPolarHBondContact O-CB 3.19Å; V198-A202 PolarHBondContact O-N 3.34Å; V198-A202 VanDerWaalsContact O-N 3.08Å; A200-A202 VanDerWaalsContact C-N 3.26Å; A200-A202 PolarHBondContact O-N 3.48Å; A202-H204 PolarHBondContact O-N 3.41Å; A202-H204 VanDerWaalsContact O-N 3.13Å; A202-H205 PolarHBondContact O-N 3.44Å; A202-H205 VanDerWaalsContact O-N 3.08Å; A202-V210 HydrophobicContact CB-CG2 4.26Å; A202-V390 HydrophobicContact CB-CG1 4.09Å; A202-L393 HydrophobicContact CB-CB 3.94Å; A202-V394 HydrophobicContact CB-CG1 3.49Å; A202-V394 VanDerWaalsContact CB-CG1 3.49Å
203	R	96.8	Very high	97.5	Very high	3 Å²	3	8.6 Å²	8.6	1%	0.011	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.7	174.2	-65.9	-55	-55.2	168.1	3.7	113.5	A200 A201 A248 H249 V394 E395 E396 F399 R400	A200-R203 VanDerWaalsContact O-CB 3.31Å; A200-R203 WeakPolarHBondContact O-CB 3.38Å; A200-R203 PolarHBondContact O-N 3.45Å; A201-R203 PolarHBondContact O-N 3.19Å; R203-A248 HydrophobicContact CB-CB 3.8Å; R203-A248 HydrophobicContact CG-CB 4.05Å; R203-H249 PolarHBondContact NE-NE2 3.4Å; R203-H249 PolarHBondContact O-CE1 2.98Å; R203-H249 PolarHBondContact O-NE2 3.44Å; R203-V394 HydrophobicContact CG-CG1 4.37Å; R203-E395 PolarHBondContact NH1-O 3.09Å; R203-E396 PolarHBondContact NH1-O 2.97Å; R203-E396 PolarHBondContact NH2-O 2.9Å; R203-F399 PolarHBondContact NH2-O 3.44Å; R203-R400 PolarHBondContact O-NH1 2.89Å
204	H	96	Very high	97.5	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	18	177.6	-66.7	-61.3	0	0	0	113.3	A201 A202 C206 H249 H287 C290 W294 P510 E511 R541	A201-H204 PolarHBondContact O-N 3.18Å; A201-H204 VanDerWaalsContact O-N 3.15Å; A202-H204 PolarHBondContact O-N 3.41Å; A202-H204 VanDerWaalsContact O-N 3.13Å; H204-C206 PolarHBondContact O-N 2.94Å; H204-H249 AromaticContact CE1-CE1 3.47Å; H204-H249 PolarHBondContact CE1-CE1 3.21Å; H204-H249 VanDerWaalsContact CE1-CE1 3.47Å; H204-H249 AromaticContact CE1-ND1 3.84Å; H204-H249 AromaticContact ND1-CE1 3.87Å; H204-H287 AromaticContact CD2-CD2 3.87Å; H204-H287 AromaticContact NE2-CD2 3.96Å; H204-C290 HydrophobicContact CB-CB 3.89Å; H204-W294 PolarHBondContact O-NE1 3.35Å; H204-P510 HydrophobicContact CB-CG 3.92Å; H204-P510 VanDerWaalsContact ND1-CG 3.33Å; H204-P510 WeakPolarHBondContact ND1-CG 3.26Å; H204-E511 IonicContact ND1-OE2 3.33Å; H204-R541 PolarHBondContact CE1-NH2 3.14Å; H204-R541 PolarHBondContact NE2-NH2 3.39Å
205	H	95.1	Very high	97.3	Very high	27 Å²	27	11.3 Å²	11.3	13%	0.125	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	27	-179.2	-54.8	162.1	0	0	0	113.6	A201 A202 S207 P386 R400	A201-H205 PolarHBondContact O-N 3.08Å; A202-H205 PolarHBondContact O-N 3.44Å; A202-H205 VanDerWaalsContact O-N 3.08Å; H205-S207 VanDerWaalsContact C-N 3.35Å; H205-S207 PolarHBondContact O-N 3.2Å; H205-P386 HydrophobicContact CB-CB 3.84Å; H205-P386 HydrophobicContact CB-CG 4.48Å; H205-R400 PolarHBondContact CE1-NH2 3.28Å; H205-R400 PolarHBondContact NE2-NH2 3.46Å
206	C	96.4	Very high	97.1	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.007	6%	0.063	C	C	.	.			trans	-82.8	82.5	-169.9	-170.3	0	0	0	0	109.9	A201 H204 Y208 M209 V210 C290	A201-C206 PolarHBondContact O-N 2.96Å; A201-C206 VanDerWaalsContact O-N 3.16Å; H204-C206 PolarHBondContact O-N 2.94Å; C206-Y208 PolarHBondContact O-N 2.97Å; C206-Y208 VanDerWaalsContact O-N 3.16Å; C206-M209 HydrophobicContact CB-CB 4.31Å; C206-M209 PolarHBondContact O-N 3.36Å; C206-M209 VanDerWaalsContact O-N 3.11Å; C206-M209 VanDerWaalsContact SG-CG 3.55Å; C206-V210 WeakPolarHBondContact O-CG2 3.48Å; C206-V210 PolarHBondContact O-N 2.97Å; C206-C290 HydrophobicContact CB-CB 3.91Å; C206-C290 WeakPolarHBondContact CB-SG 3.2Å
207	S	95.3	Very high	97.1	Very high	37 Å²	37	11.8 Å²	11.8	26%	0.259	6%	0.063	S	C	.	.	H	α-helix	trans	-59.7	-27.9	-176.9	-62.1	0	0	0	0	112.8	H205 Q211	H205-S207 VanDerWaalsContact C-N 3.35Å; H205-S207 PolarHBondContact O-N 3.2Å; S207-Q211 WeakPolarHBondContact O-CB 3.42Å; S207-Q211 VanDerWaalsContact O-CG 3.27Å; S207-Q211 WeakPolarHBondContact O-CG 3.4Å; S207-Q211 PolarHBondContact O-N 3.23Å; S207-Q211 PolarHBondContact O-NE2 2.74Å
208	Y	96.6	Very high	97	Very high	14 Å²	14	15.3 Å²	15.3	6%	0.055	8%	0.081	C	C	.	.	H	α-helix	trans	-61.2	-55.3	173.1	-179.8	-81.4	0	0	0	110.9	H159 L160 C206 Q211 Q212 V293 L298 E301	H159-Y208 HydrophobicContact CB-CE2 4.24Å; L160-Y208 HydrophobicContact CB-CE1 4.16Å; L160-Y208 WeakPolarHBondContact CB-OH 3.23Å; L160-Y208 HydrophobicContact CD1-CE1 4.37Å; L160-Y208 PolarHBondContact N-OH 3.21Å; L160-Y208 VanDerWaalsContact N-OH 3.11Å; C206-Y208 PolarHBondContact O-N 2.97Å; C206-Y208 VanDerWaalsContact O-N 3.16Å; Y208-Q211 PolarHBondContact O-N 3.13Å; Y208-Q212 WeakPolarHBondContact O-CB 3.41Å; Y208-Q212 PolarHBondContact O-N 2.88Å; Y208-V293 HydrophobicContact CD1-CG1 4.22Å; Y208-V293 HydrophobicContact CD1-CG2 3.87Å; Y208-V293 HydrophobicContact CE1-CG2 4.31Å; Y208-V293 HydrophobicContact CG-CG1 4.06Å; Y208-L298 HydrophobicContact CE1-CD2 4.4Å; Y208-L298 HydrophobicContact CE2-CD2 4.39Å; Y208-E301 HydrophobicContact CE2-CG 3.99Å; Y208-E301 WeakPolarHBondContact CE2-OE1 3.37Å; Y208-E301 PolarHBondContact OH-OE1 2.93Å
209	M	97.9	Very high	96.7	Very high	6 Å²	6	20.9 Å²	20.9	3%	0.03	11%	0.107	C	C	.	.	H	α-helix	trans	-70	-35.9	-178.6	-68	-56.7	-65.7	0	0	112.4	L160 A201 C206 Q212 H213 T286 L289 V293	L160-M209 HydrophobicContact CD1-SD 4.15Å; A201-M209 HydrophobicContact CB-CB 3.56Å; C206-M209 HydrophobicContact CB-CB 4.31Å; C206-M209 PolarHBondContact O-N 3.36Å; C206-M209 VanDerWaalsContact O-N 3.11Å; C206-M209 VanDerWaalsContact SG-CG 3.55Å; M209-Q212 PolarHBondContact O-N 3.43Å; M209-H213 WeakPolarHBondContact CE-NE2 3.5Å; M209-H213 PolarHBondContact O-CD2 3.24Å; M209-H213 PolarHBondContact O-N 3.12Å; M209-T286 HydrophobicContact CE-CG2 4.32Å; M209-L289 HydrophobicContact CE-CB 4.03Å; M209-L289 HydrophobicContact CE-CD1 3.57Å; M209-L289 HydrophobicContact CE-CG 4.47Å; M209-L289 HydrophobicContact SD-CB 4.42Å; M209-V293 HydrophobicContact CG-CG2 3.93Å; M209-V293 HydrophobicContact SD-CG2 4.02Å
210	V	98	Very high	96.5	Very high	11 Å²	11	22.1 Å²	22.1	7%	0.067	12%	0.118	C	C	.	.	H	α-helix	trans	-58.3	-50.4	173.5	169.2	0	0	0	0	110.3	V198 A201 A202 C206 S214 V390 L393	V198-V210 HydrophobicContact CG1-CG1 4.36Å; A201-V210 HydrophobicContact CB-CG2 3.75Å; A202-V210 HydrophobicContact CB-CG2 4.26Å; C206-V210 WeakPolarHBondContact O-CG2 3.48Å; C206-V210 PolarHBondContact O-N 2.97Å; V210-S214 WeakPolarHBondContact O-CB 3.34Å; V210-S214 PolarHBondContact O-N 3.43Å; V210-S214 PolarHBondContact O-OG 3.45Å; V210-V390 HydrophobicContact CG2-CG1 4.39Å; V210-L393 HydrophobicContact CG1-CD1 3.92Å
211	Q	96.5	Very high	96.4	Very high	43 Å²	43	25.3 Å²	25.3	20%	0.201	15%	0.15	C	C	.	.	H	α-helix	trans	-65.2	-41.2	178.9	-73	-178	85.5	0	0	112.2	S207 Y208 H213 S214 K215 I305	S207-Q211 WeakPolarHBondContact O-CB 3.42Å; S207-Q211 VanDerWaalsContact O-CG 3.27Å; S207-Q211 WeakPolarHBondContact O-CG 3.4Å; S207-Q211 PolarHBondContact O-N 3.23Å; S207-Q211 PolarHBondContact O-NE2 2.74Å; Y208-Q211 PolarHBondContact O-N 3.13Å; Q211-H213 PolarHBondContact O-N 3.29Å; Q211-S214 PolarHBondContact O-N 3.15Å; Q211-K215 PolarHBondContact O-N 3.18Å; Q211-I305 PolarHBondContact NE2-O 3.41Å
212	Q	95.4	Very high	96.4	Very high	7 Å²	7	25.8 Å²	25.8	3%	0.033	16%	0.155	C	C	.	.	H	α-helix	trans	-60.1	-47.1	-179.1	-162.7	71.7	-40	0	0	112.2	D158 Y208 M209 A216 H304	D158-Q212 PolarHBondContact OD2-NE2 3.2Å; Y208-Q212 WeakPolarHBondContact O-CB 3.41Å; Y208-Q212 PolarHBondContact O-N 2.88Å; M209-Q212 PolarHBondContact O-N 3.43Å; Q212-A216 PolarHBondContact O-N 3.24Å; Q212-H304 PolarHBondContact OE1-CE1 3.35Å; Q212-H304 PolarHBondContact OE1-NE2 3.42Å
213	H	97.9	Very high	96.4	Very high	10 Å²	10	29.8 Å²	29.8	5%	0.046	18%	0.176	C	C	.	.	H	α-helix	trans	-79.5	-27.2	177.8	-70.7	-60.7	0	0	0	113.2	F182 H194 S197 V198 M209 Q211 A216 F217	F182-H213 AromaticContact CE1-CE1 3.93Å; F182-H213 AromaticContact CE2-CE1 3.99Å; F182-H213 AromaticContact CZ-CE1 3.47Å; F182-H213 VanDerWaalsContact CZ-CE1 3.47Å; F182-H213 WeakPolarHBondContact CZ-CE1 3.44Å; H194-H213 AromaticContact ND1-ND1 3.48Å; H194-H213 PolarHBondContact ND1-ND1 3.43Å; S197-H213 VanDerWaalsContact CB-CD2 3.41Å; S197-H213 WeakPolarHBondContact CB-CD2 3.49Å; V198-H213 HydrophobicContact CG2-CB 3.63Å; M209-H213 WeakPolarHBondContact CE-NE2 3.5Å; M209-H213 PolarHBondContact O-CD2 3.24Å; M209-H213 PolarHBondContact O-N 3.12Å; Q211-H213 PolarHBondContact O-N 3.29Å; H213-A216 PolarHBondContact O-N 3.34Å; H213-F217 WeakPolarHBondContact O-CB 3.45Å; H213-F217 PolarHBondContact O-N 2.95Å
214	S	97.8	Very high	96.4	Very high	19 Å²	19	36.3 Å²	36.3	13%	0.133	21%	0.207	C	C	.	.	H	α-helix	trans	-63.2	-43	172.5	-62.7	0	0	0	0	111.2	V210 Q211 F217 L218	V210-S214 WeakPolarHBondContact O-CB 3.34Å; V210-S214 PolarHBondContact O-N 3.43Å; V210-S214 PolarHBondContact O-OG 3.45Å; Q211-S214 PolarHBondContact O-N 3.15Å; S214-F217 WeakPolarHBondContact O-CB 3.27Å; S214-F217 PolarHBondContact O-N 3.25Å; S214-L218 WeakPolarHBondContact O-CG 3.41Å; S214-L218 PolarHBondContact O-N 3.21Å; S214-L218 VanDerWaalsContact O-N 3.13Å
215	K	94.4	Very high	96.5	Very high	57 Å²	57	38.6 Å²	38.6	25%	0.248	22%	0.223	C	C	.	.	H	α-helix	trans	-62	-49.5	174.9	-176.6	174.6	-178.9	169.8	0	111.5	Q211 F217 L218 E219 D303	Q211-K215 PolarHBondContact O-N 3.18Å; K215-F217 VanDerWaalsContact C-N 3.3Å; K215-F217 PolarHBondContact O-N 2.88Å; K215-L218 PolarHBondContact O-N 3.49Å; K215-E219 WeakPolarHBondContact CE-OE1 3.42Å; K215-E219 WeakPolarHBondContact O-CG 3.43Å; K215-E219 PolarHBondContact O-N 3.08Å; K215-D303 IonicContact NZ-OD2 3.95Å; K215-D303 PolarHBondContact NZ-OD2 3.01Å
216	A	95.1	Very high	96.6	Very high	11 Å²	11	38.6 Å²	38.6	9%	0.091	22%	0.222	C	C	.	.	H	α-helix	trans	-64.2	-33.7	179.4	0	0	0	0	0	112.9	H194 Q212 H213 E219 A220	H194-A216 PolarHBondContact CD2-O 3.47Å; Q212-A216 PolarHBondContact O-N 3.24Å; H213-A216 PolarHBondContact O-N 3.34Å; A216-E219 PolarHBondContact O-N 3.36Å; A216-A220 VanDerWaalsContact O-CB 3.31Å; A216-A220 WeakPolarHBondContact O-CB 3.36Å; A216-A220 PolarHBondContact O-N 3.11Å
217	F	98.1	Very high	96.6	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.4	-48.5	172.2	167.5	-107.3	0	0	0	111.9	D191 H194 Y195 H213 S214 K215 A220 G221 G222 D223 W226 L227	D191-F217 HydrophobicContact CB-CD2 3.86Å; D191-F217 HydrophobicContact CB-CE2 4.01Å; D191-F217 VanDerWaalsContact O-CD2 3.24Å; D191-F217 WeakPolarHBondContact O-CD2 3.42Å; H194-F217 HydrophobicContact CB-CB 3.83Å; Y195-F217 HydrophobicContact CD2-CD2 4.46Å; Y195-F217 HydrophobicContact CD2-CE1 4.43Å; Y195-F217 HydrophobicContact CD2-CE2 4.19Å; Y195-F217 HydrophobicContact CD2-CZ 4.15Å; Y195-F217 HydrophobicContact CG-CE2 4.4Å; H213-F217 WeakPolarHBondContact O-CB 3.45Å; H213-F217 PolarHBondContact O-N 2.95Å; S214-F217 WeakPolarHBondContact O-CB 3.27Å; S214-F217 PolarHBondContact O-N 3.25Å; K215-F217 VanDerWaalsContact C-N 3.3Å; K215-F217 PolarHBondContact O-N 2.88Å; F217-A220 PolarHBondContact O-N 3.21Å; F217-G221 PolarHBondContact O-N 3.21Å; F217-G222 VanDerWaalsContact CE2-CA 3.42Å; F217-G222 VanDerWaalsContact CZ-C 3.49Å; F217-G222 WeakPolarHBondContact O-CA 3.47Å; F217-G222 PolarHBondContact O-N 2.96Å; F217-D223 VanDerWaalsContact CE1-O 3.24Å; F217-D223 WeakPolarHBondContact CE1-O 3.27Å; F217-D223 VanDerWaalsContact CZ-N 3.34Å; F217-D223 WeakPolarHBondContact CZ-O 3.21Å; F217-W226 HydrophobicContact CE1-CB 4.47Å; F217-W226 HydrophobicContact CE2-CD2 4.5Å; F217-W226 AromaticContact CE2-CE3 3.74Å; F217-W226 HydrophobicContact CE2-CE3 3.74Å; F217-W226 AromaticContact CE2-CZ3 3.96Å; F217-W226 HydrophobicContact CE2-CZ3 3.96Å; F217-W226 HydrophobicContact CZ-CB 4.18Å; F217-W226 AromaticContact CZ-CD2 3.93Å; F217-W226 HydrophobicContact CZ-CD2 3.93Å; F217-W226 AromaticContact CZ-CE3 3.6Å; F217-W226 HydrophobicContact CZ-CE3 3.6Å; F217-W226 HydrophobicContact CZ-CG 4.23Å; F217-W226 HydrophobicContact CZ-CZ3 4.21Å; F217-L227 HydrophobicContact CD1-CD1 4.07Å; F217-L227 HydrophobicContact CD1-CD2 3.96Å; F217-L227 HydrophobicContact CD1-CG 4.01Å; F217-L227 HydrophobicContact CE1-CD1 4.44Å; F217-L227 HydrophobicContact CE1-CD2 4.27Å; F217-L227 HydrophobicContact CE1-CG 4.05Å
218	L	96.9	Very high	96.6	Very high	74 Å²	74	42 Å²	42	39%	0.387	24%	0.243	S	C	.	.	H	α-helix	trans	-65.7	-41.7	177.6	-64.7	173.3	0	0	0	111.6	S214 K215 A220 G221 E224 L227	S214-L218 WeakPolarHBondContact O-CG 3.41Å; S214-L218 PolarHBondContact O-N 3.21Å; S214-L218 VanDerWaalsContact O-N 3.13Å; K215-L218 PolarHBondContact O-N 3.49Å; L218-A220 PolarHBondContact O-N 2.94Å; L218-G221 PolarHBondContact O-N 3.14Å; L218-E224 HydrophobicContact CD2-CB 3.84Å; L218-E224 HydrophobicContact CD2-CG 4.22Å; L218-L227 HydrophobicContact CD1-CD1 4.1Å; L218-L227 HydrophobicContact CD2-CD1 4.11Å; L218-L227 HydrophobicContact CG-CD1 4.06Å
219	E	92.7	Very high	96.4	Very high	117 Å²	117	41.5 Å²	41.5	55%	0.547	24%	0.242	S	C	.	.	H	α-helix	trans	-62.1	-27.3	174.6	-72.2	173	179.2	0	0	112.6	K215 A216 G221	K215-E219 WeakPolarHBondContact CE-OE1 3.42Å; K215-E219 WeakPolarHBondContact O-CG 3.43Å; K215-E219 PolarHBondContact O-N 3.08Å; A216-E219 PolarHBondContact O-N 3.36Å; E219-G221 VanDerWaalsContact C-N 3.27Å
220	A	95.2	Very high	96.2	Very high	28 Å²	28	41.9 Å²	41.9	23%	0.231	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	3.1	173.7	0	0	0	0	0	113.8	R190 D191 A216 F217 L218	R190-A220 HydrophobicContact CB-CB 4.25Å; R190-A220 HydrophobicContact CG-CB 3.88Å; D191-A220 HydrophobicContact CB-CB 3.93Å; A216-A220 VanDerWaalsContact O-CB 3.31Å; A216-A220 WeakPolarHBondContact O-CB 3.36Å; A216-A220 PolarHBondContact O-N 3.11Å; F217-A220 PolarHBondContact O-N 3.21Å; L218-A220 PolarHBondContact O-N 2.94Å
221	G	96.8	Very high	96.1	Very high	66 Å²	66	48.4 Å²	48.4	68%	0.68	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.1	16.4	-180	0	0	0	0	0	114.5	F217 L218 E219	F217-G221 PolarHBondContact O-N 3.21Å; L218-G221 PolarHBondContact O-N 3.14Å; E219-G221 VanDerWaalsContact C-N 3.27Å
222	G	97.8	Very high	96.1	Very high	10 Å²	10	50.3 Å²	50.3	10%	0.103	28%	0.28	C	S	.	.			trans	-64	147.5	176.4	0	0	0	0	0	113.4	F217 E224	F217-G222 VanDerWaalsContact CE2-CA 3.42Å; F217-G222 VanDerWaalsContact CZ-C 3.49Å; F217-G222 WeakPolarHBondContact O-CA 3.47Å; F217-G222 PolarHBondContact O-N 2.96Å; G222-E224 PolarHBondContact O-N 3.16Å
223	D	97.9	Very high	96.2	Very high	84 Å²	84	50.2 Å²	50.2	45%	0.449	28%	0.28	S	S	.	.			trans	-74.5	113.1	178.1	178.4	-9.8	0	0	0	111.4	F217 S225 W226	F217-D223 VanDerWaalsContact CE1-O 3.24Å; F217-D223 WeakPolarHBondContact CE1-O 3.27Å; F217-D223 VanDerWaalsContact CZ-N 3.34Å; F217-D223 WeakPolarHBondContact CZ-O 3.21Å; D223-S225 PolarHBondContact O-N 3.05Å; D223-S225 VanDerWaalsContact OD1-CB 3.25Å; D223-S225 WeakPolarHBondContact OD1-CB 3.46Å; D223-S225 PolarHBondContact OD1-N 2.95Å; D223-S225 PolarHBondContact OD1-OG 2.94Å; D223-S225 PolarHBondContact OD2-OG 3.2Å; D223-S225 VanDerWaalsContact OD2-OG 3.09Å; D223-W226 HydrophobicContact CB-CG 4.4Å; D223-W226 WeakPolarHBondContact O-CB 3.12Å; D223-W226 PolarHBondContact O-N 3.35Å; D223-W226 PolarHBondContact OD2-NE1 3.48Å
224	E	97.1	Very high	96.1	Very high	140 Å²	140	51.4 Å²	51.4	65%	0.654	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-52.3	-29.9	-179.3	-172.5	179	-174.1	0	0	113.5	L218 G222 W226 L227	L218-E224 HydrophobicContact CD2-CB 3.84Å; L218-E224 HydrophobicContact CD2-CG 4.22Å; G222-E224 PolarHBondContact O-N 3.16Å; E224-W226 PolarHBondContact O-N 2.97Å; E224-W226 VanDerWaalsContact O-N 3.14Å; E224-L227 WeakPolarHBondContact O-CB 3.36Å; E224-L227 PolarHBondContact O-N 3Å
225	S	97.1	Very high	96.1	Very high	48 Å²	48	54.4 Å²	54.4	34%	0.336	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-60.2	-26.9	179.6	71	0	0	0	0	113	D223 L227 S228 H232	D223-S225 PolarHBondContact O-N 3.05Å; D223-S225 VanDerWaalsContact OD1-CB 3.25Å; D223-S225 WeakPolarHBondContact OD1-CB 3.46Å; D223-S225 PolarHBondContact OD1-N 2.95Å; D223-S225 PolarHBondContact OD1-OG 2.94Å; D223-S225 PolarHBondContact OD2-OG 3.2Å; D223-S225 VanDerWaalsContact OD2-OG 3.09Å; S225-L227 VanDerWaalsContact C-N 3.28Å; S225-L227 PolarHBondContact O-N 3.3Å; S225-S228 WeakPolarHBondContact O-CB 3.36Å; S225-S228 PolarHBondContact O-N 2.99Å; S225-H232 VanDerWaalsContact O-CB 3.27Å; S225-H232 WeakPolarHBondContact O-CB 3.4Å
226	W	97.6	Very high	96.2	Very high	28 Å²	28	53.3 Å²	53.3	11%	0.106	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-65.5	-34.4	178.7	-60.7	11.6	0	0	0	111.3	W192 Y195 F217 D223 E224 S228 G229 P234 L237	W192-W226 AromaticContact NE1-CH2 3.66Å; Y195-W226 HydrophobicContact CD1-CE3 4.16Å; Y195-W226 HydrophobicContact CD2-CB 4Å; Y195-W226 AromaticContact CD2-CE3 3.97Å; Y195-W226 HydrophobicContact CD2-CE3 3.97Å; Y195-W226 HydrophobicContact CE1-CE3 4.49Å; Y195-W226 HydrophobicContact CE2-CB 3.43Å; Y195-W226 VanDerWaalsContact CE2-CB 3.43Å; Y195-W226 HydrophobicContact CE2-CE3 4.35Å; Y195-W226 AromaticContact CG-CE3 3.88Å; Y195-W226 HydrophobicContact CG-CE3 3.88Å; Y195-W226 HydrophobicContact CG-CZ3 4.48Å; Y195-W226 PolarHBondContact OH-O 3.33Å; Y195-W226 VanDerWaalsContact OH-O 3.07Å; F217-W226 HydrophobicContact CE1-CB 4.47Å; F217-W226 HydrophobicContact CE2-CD2 4.5Å; F217-W226 AromaticContact CE2-CE3 3.74Å; F217-W226 HydrophobicContact CE2-CE3 3.74Å; F217-W226 AromaticContact CE2-CZ3 3.96Å; F217-W226 HydrophobicContact CE2-CZ3 3.96Å; F217-W226 HydrophobicContact CZ-CB 4.18Å; F217-W226 AromaticContact CZ-CD2 3.93Å; F217-W226 HydrophobicContact CZ-CD2 3.93Å; F217-W226 AromaticContact CZ-CE3 3.6Å; F217-W226 HydrophobicContact CZ-CE3 3.6Å; F217-W226 HydrophobicContact CZ-CG 4.23Å; F217-W226 HydrophobicContact CZ-CZ3 4.21Å; D223-W226 HydrophobicContact CB-CG 4.4Å; D223-W226 WeakPolarHBondContact O-CB 3.12Å; D223-W226 PolarHBondContact O-N 3.35Å; D223-W226 PolarHBondContact OD2-NE1 3.48Å; E224-W226 PolarHBondContact O-N 2.97Å; E224-W226 VanDerWaalsContact O-N 3.14Å; W226-S228 PolarHBondContact O-N 2.99Å; W226-G229 PolarHBondContact O-N 3.07Å; W226-P234 HydrophobicContact CH2-CG 3.39Å; W226-P234 HydrophobicContact CZ2-CG 3.28Å; W226-P234 HydrophobicContact CZ3-CG 4.05Å; W226-L237 HydrophobicContact CE3-CD1 4.1Å; W226-L237 HydrophobicContact CH2-CD1 4.2Å; W226-L237 HydrophobicContact CZ3-CD1 3.49Å; W226-L237 VanDerWaalsContact CZ3-CD1 3.49Å
227	L	96.8	Very high	96.3	Very high	31 Å²	31	52.8 Å²	52.8	16%	0.162	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-70.1	-13.8	179.5	-59	178.8	0	0	0	113	Y195 V198 F217 L218 E224 S225 G229	Y195-L227 HydrophobicContact CD2-CD2 4.2Å; Y195-L227 HydrophobicContact CE2-CD2 4.13Å; V198-L227 HydrophobicContact CG1-CD2 4.4Å; V198-L227 HydrophobicContact CG2-CD2 4.48Å; F217-L227 HydrophobicContact CD1-CD1 4.07Å; F217-L227 HydrophobicContact CD1-CD2 3.96Å; F217-L227 HydrophobicContact CD1-CG 4.01Å; F217-L227 HydrophobicContact CE1-CD1 4.44Å; F217-L227 HydrophobicContact CE1-CD2 4.27Å; F217-L227 HydrophobicContact CE1-CG 4.05Å; L218-L227 HydrophobicContact CD1-CD1 4.1Å; L218-L227 HydrophobicContact CD2-CD1 4.11Å; L218-L227 HydrophobicContact CG-CD1 4.06Å; E224-L227 WeakPolarHBondContact O-CB 3.36Å; E224-L227 PolarHBondContact O-N 3Å; S225-L227 VanDerWaalsContact C-N 3.28Å; S225-L227 PolarHBondContact O-N 3.3Å; L227-G229 PolarHBondContact O-N 3.16Å
228	S	94.5	Very high	96.3	Very high	79 Å²	79	56.4 Å²	56.4	55%	0.552	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-76.4	-4.7	175.1	-61	0	0	0	0	113.3	S225 W226	S225-S228 WeakPolarHBondContact O-CB 3.36Å; S225-S228 PolarHBondContact O-N 2.99Å; W226-S228 PolarHBondContact O-N 2.99Å
229	G	93.3	Very high	96.3	Very high	3 Å²	3	54.6 Å²	54.6	3%	0.031	31%	0.305	C	S	.	.			trans	142.9	154.4	171.2	0	0	0	0	0	112.6	W226 L227 K231 H232 G392	W226-G229 PolarHBondContact O-N 3.07Å; L227-G229 PolarHBondContact O-N 3.16Å; G229-K231 PolarHBondContact O-N 2.88Å; G229-H232 PolarHBondContact O-N 3.03Å; G229-H232 PolarHBondContact O-ND1 3.16Å; G229-H232 VanDerWaalsContact O-ND1 3.14Å; G229-G392 CarbonylContact C-O 3.46Å; G229-G392 WeakPolarHBondContact CA-O 3.46Å
230	I	94.3	Very high	96.5	Very high	14 Å²	14	49 Å²	49	7%	0.072	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-54.2	-31.6	-169.8	-168.2	165.7	0	0	0	113.4	M199 H232 A233 R238 G392 E395	M199-I230 HydrophobicContact CE-CD1 3.82Å; I230-H232 PolarHBondContact O-N 3.07Å; I230-H232 VanDerWaalsContact O-N 3.16Å; I230-A233 WeakPolarHBondContact O-CB 3.37Å; I230-A233 PolarHBondContact O-N 2.87Å; I230-R238 HydrophobicContact CG1-CG 4Å; I230-R238 WeakPolarHBondContact O-CD 3.46Å; I230-R238 WeakPolarHBondContact O-CG 3.4Å; I230-G392 PolarHBondContact N-O 3.07Å; I230-E395 HydrophobicContact CD1-CG 4.42Å; I230-E395 HydrophobicContact CG2-CG 4.29Å
231	K	95.5	Very high	96.6	Very high	148 Å²	148	49.9 Å²	49.9	64%	0.643	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-60.3	-23.3	178.8	66.8	-179.5	-179	-179.5	0	114.6	G229 R238	G229-K231 PolarHBondContact O-N 2.88Å; K231-R238 PolarHBondContact O-NH1 3.15Å
232	H	96.3	Very high	96.6	Very high	83 Å²	83	48.3 Å²	48.3	38%	0.384	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-87.2	-15.2	178.9	-54	103.7	0	0	0	112.5	S225 G229 I230	S225-H232 VanDerWaalsContact O-CB 3.27Å; S225-H232 WeakPolarHBondContact O-CB 3.4Å; G229-H232 PolarHBondContact O-N 3.03Å; G229-H232 PolarHBondContact O-ND1 3.16Å; G229-H232 VanDerWaalsContact O-ND1 3.14Å; I230-H232 PolarHBondContact O-N 3.07Å; I230-H232 VanDerWaalsContact O-N 3.16Å
233	A	96.7	Very high	96.6	Very high	4 Å²	4	48 Å²	48	3%	0.033	25%	0.251	C	S	.	.	S	Bend	trans	-72.4	154.2	177.4	0	0	0	0	0	112	Y195 I230 R238	Y195-A233 HydrophobicContact CD1-CB 4.49Å; Y195-A233 HydrophobicContact CE1-CB 3.51Å; I230-A233 WeakPolarHBondContact O-CB 3.37Å; I230-A233 PolarHBondContact O-N 2.87Å; A233-R238 HydrophobicContact CB-CG 4.26Å
234	P	97	Very high	96.6	Very high	36 Å²	36	44.1 Å²	44.1	23%	0.234	23%	0.23	C	C	.	.			trans	-50.3	142.5	172.2	-28	32.6	0	0	0	112.1	W192 W226 K236 L237 R238	W192-P234 HydrophobicContact CH2-CB 4.45Å; W192-P234 HydrophobicContact CZ2-CG 4.33Å; W226-P234 HydrophobicContact CH2-CG 3.39Å; W226-P234 HydrophobicContact CZ2-CG 3.28Å; W226-P234 HydrophobicContact CZ3-CG 4.05Å; P234-K236 PolarHBondContact O-N 3.08Å; P234-L237 HydrophobicContact CG-CD1 4.35Å; P234-L237 PolarHBondContact O-N 3.09Å; P234-R238 PolarHBondContact O-N 2.92Å; P234-R238 VanDerWaalsContact O-N 3.1Å
235	V	96.4	Very high	96.7	Very high	82 Å²	82	38.5 Å²	38.5	50%	0.497	20%	0.204	S	C	.	.	H	α-helix	trans	-51.4	-34	177.1	-175.7	0	0	0	0	111.1	R238 S239 P269	V235-R238 PolarHBondContact O-N 3.02Å; V235-S239 PolarHBondContact O-N 3.29Å; V235-P269 HydrophobicContact CB-CG 4.28Å; V235-P269 HydrophobicContact CG1-CG 4.12Å
236	K	97.4	Very high	96.7	Very high	33 Å²	33	36.6 Å²	36.6	14%	0.143	19%	0.19	C	C	.	.	H	α-helix	trans	-64	-43.9	-179.5	-167.9	170.7	175	177.8	0	112.6	W192 P234 S239 P269 R270 W271 E275	W192-K236 HydrophobicContact CH2-CB 4.27Å; W192-K236 HydrophobicContact CH2-CD 4.33Å; W192-K236 HydrophobicContact CZ3-CB 4.15Å; W192-K236 HydrophobicContact CZ3-CD 3.97Å; W192-K236 HydrophobicContact CZ3-CG 4.17Å; P234-K236 PolarHBondContact O-N 3.08Å; K236-S239 PolarHBondContact O-N 3.27Å; K236-S239 PolarHBondContact O-OG 2.87Å; K236-P269 HydrophobicContact CB-CB 3.81Å; K236-P269 HydrophobicContact CB-CG 3.45Å; K236-P269 VanDerWaalsContact CB-CG 3.45Å; K236-P269 HydrophobicContact CD-CB 4.29Å; K236-P269 HydrophobicContact CG-CB 4.01Å; K236-P269 HydrophobicContact CG-CG 3.91Å; K236-R270 WeakPolarHBondContact CE-O 3.09Å; K236-R270 PolarHBondContact NZ-O 3.44Å; K236-R270 VanDerWaalsContact NZ-O 3.08Å; K236-W271 HydrophobicContact CG-CD2 4.32Å; K236-W271 HydrophobicContact CG-CZ2 3.7Å; K236-W271 WeakPolarHBondContact O-CZ2 3.17Å; K236-W271 PolarHBondContact O-NE1 3Å; K236-E275 IonicContact NZ-OE1 2.54Å; K236-E275 PolarHBondContact NZ-OE1 3.36Å; K236-E275 IonicContact NZ-OE2 2.81Å; K236-E275 PolarHBondContact NZ-OE2 3.4Å
237	L	97.8	Very high	96.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-70.9	-38.6	176.1	-68.7	172.8	0	0	0	111.2	W192 Y195 V196 M199 W226 P234 S239 L240 W271	W192-L237 HydrophobicContact CD2-CD1 3.98Å; W192-L237 HydrophobicContact CD2-CD2 4.28Å; W192-L237 HydrophobicContact CD2-CG 4.28Å; W192-L237 HydrophobicContact CE3-CD1 4.02Å; W192-L237 HydrophobicContact CE3-CD2 3.63Å; W192-L237 HydrophobicContact CE3-CG 3.79Å; W192-L237 HydrophobicContact CG-CD1 4.29Å; W192-L237 HydrophobicContact CZ3-CD1 4.48Å; W192-L237 HydrophobicContact CZ3-CD2 4.16Å; W192-L237 HydrophobicContact CZ3-CG 3.99Å; Y195-L237 HydrophobicContact CD1-CD1 3.83Å; V196-L237 HydrophobicContact CG2-CD2 3.67Å; M199-L237 HydrophobicContact SD-CB 4.48Å; W226-L237 HydrophobicContact CE3-CD1 4.1Å; W226-L237 HydrophobicContact CH2-CD1 4.2Å; W226-L237 HydrophobicContact CZ3-CD1 3.49Å; W226-L237 VanDerWaalsContact CZ3-CD1 3.49Å; P234-L237 HydrophobicContact CG-CD1 4.35Å; P234-L237 PolarHBondContact O-N 3.09Å; L237-S239 VanDerWaalsContact C-N 3.27Å; L237-S239 PolarHBondContact O-N 3.08Å; L237-L240 WeakPolarHBondContact O-CB 3.48Å; L237-L240 PolarHBondContact O-N 3.19Å; L237-L240 VanDerWaalsContact O-N 3.16Å; L237-W271 HydrophobicContact CD2-CH2 4.15Å; L237-W271 HydrophobicContact CD2-CZ2 4.34Å
238	R	96.8	Very high	96.8	Very high	77 Å²	77	33.9 Å²	33.9	29%	0.291	18%	0.177	S	C	.	.	H	α-helix	trans	-61.5	-33.7	175.9	-64.8	-166.1	-69.7	-161.9	-10.5	113.2	I230 K231 A233 P234 V235 L240 H241	I230-R238 HydrophobicContact CG1-CG 4Å; I230-R238 WeakPolarHBondContact O-CD 3.46Å; I230-R238 WeakPolarHBondContact O-CG 3.4Å; K231-R238 PolarHBondContact O-NH1 3.15Å; A233-R238 HydrophobicContact CB-CG 4.26Å; P234-R238 PolarHBondContact O-N 2.92Å; P234-R238 VanDerWaalsContact O-N 3.1Å; V235-R238 PolarHBondContact O-N 3.02Å; R238-L240 PolarHBondContact O-N 3.16Å; R238-H241 WeakPolarHBondContact O-CB 3.35Å; R238-H241 PolarHBondContact O-CD2 3.34Å; R238-H241 VanDerWaalsContact O-CD2 3.3Å; R238-H241 PolarHBondContact O-N 3.44Å
239	S	96.6	Very high	96.9	Very high	35 Å²	35	30.1 Å²	30.1	25%	0.245	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.2	178.8	80.3	0	0	0	0	113	V235 K236 L237 H241 L262 W271	V235-S239 PolarHBondContact O-N 3.29Å; K236-S239 PolarHBondContact O-N 3.27Å; K236-S239 PolarHBondContact O-OG 2.87Å; L237-S239 VanDerWaalsContact C-N 3.27Å; L237-S239 PolarHBondContact O-N 3.08Å; S239-H241 VanDerWaalsContact C-N 3.26Å; S239-H241 PolarHBondContact O-N 3.42Å; S239-L262 WeakPolarHBondContact O-CD2 3.43Å; S239-L262 WeakPolarHBondContact OG-CD2 3.42Å; S239-W271 PolarHBondContact OG-NE1 3.25Å
240	L	97.6	Very high	97.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-10.8	174.4	-64.1	175.4	0	0	0	114.1	V196 L237 R238 T242 L243 N244 L262 W271 L276 A279 M283	V196-L240 HydrophobicContact CG2-CD1 4.03Å; L237-L240 WeakPolarHBondContact O-CB 3.48Å; L237-L240 PolarHBondContact O-N 3.19Å; L237-L240 VanDerWaalsContact O-N 3.16Å; R238-L240 PolarHBondContact O-N 3.16Å; L240-T242 VanDerWaalsContact C-N 3.28Å; L240-T242 PolarHBondContact O-N 3.02Å; L240-T242 VanDerWaalsContact O-N 3.17Å; L240-L243 PolarHBondContact O-N 3.17Å; L240-L243 VanDerWaalsContact O-N 3.1Å; L240-N244 WeakPolarHBondContact O-CB 3.36Å; L240-N244 PolarHBondContact O-N 2.89Å; L240-L262 HydrophobicContact CD2-CD1 4.33Å; L240-W271 HydrophobicContact CD1-CH2 3.58Å; L240-W271 HydrophobicContact CD1-CZ2 3.56Å; L240-W271 HydrophobicContact CD1-CZ3 4.41Å; L240-W271 HydrophobicContact CD2-CD2 4.36Å; L240-W271 HydrophobicContact CD2-CH2 4.27Å; L240-W271 HydrophobicContact CD2-CZ2 3.89Å; L240-W271 HydrophobicContact CG-CH2 4.09Å; L240-W271 HydrophobicContact CG-CZ2 3.59Å; L240-L276 HydrophobicContact CD2-CD1 4.11Å; L240-A279 HydrophobicContact CD1-CB 3.91Å; L240-A279 HydrophobicContact CD2-CB 4.34Å; L240-M283 HydrophobicContact CB-SD 4.48Å; L240-M283 HydrophobicContact CD2-CE 4.38Å
241	H	96.5	Very high	97.2	Very high	46 Å²	46	31 Å²	31	21%	0.213	15%	0.152	C	C	.	.	H	α-helix	trans	-53.9	-41.4	-170.9	79.2	116.5	0	0	0	113.5	R238 S239 N244 K245 E395	R238-H241 WeakPolarHBondContact O-CB 3.35Å; R238-H241 PolarHBondContact O-CD2 3.34Å; R238-H241 VanDerWaalsContact O-CD2 3.3Å; R238-H241 PolarHBondContact O-N 3.44Å; S239-H241 VanDerWaalsContact C-N 3.26Å; S239-H241 PolarHBondContact O-N 3.42Å; H241-N244 PolarHBondContact O-N 3.36Å; H241-K245 PolarHBondContact O-N 3.45Å; H241-E395 IonicContact CE1-OE2 2.77Å; H241-E395 PolarHBondContact CE1-OE2 2.98Å; H241-E395 VanDerWaalsContact CE1-OE2 3.28Å; H241-E395 IonicContact CG-OE2 2.72Å; H241-E395 IonicContact ND1-OE2 3.15Å; H241-E395 PolarHBondContact ND1-OE2 2.83Å
242	T	97.8	Very high	97.3	Very high	33 Å²	33	25 Å²	25	20%	0.202	13%	0.126	C	C	.	.	H	α-helix	trans	-67.2	-47.3	179.6	-71.6	0	0	0	0	110.5	L240 N244 K245 L246	L240-T242 VanDerWaalsContact C-N 3.28Å; L240-T242 PolarHBondContact O-N 3.02Å; L240-T242 VanDerWaalsContact O-N 3.17Å; T242-N244 VanDerWaalsContact C-N 3.31Å; T242-N244 PolarHBondContact O-N 3.15Å; T242-K245 VanDerWaalsContact O-CG 3.28Å; T242-K245 WeakPolarHBondContact O-CG 3.41Å; T242-K245 PolarHBondContact O-N 3.18Å; T242-L246 HydrophobicContact CG2-CD1 4.1Å; T242-L246 VanDerWaalsContact O-CG 3.24Å; T242-L246 WeakPolarHBondContact O-CG 3.37Å; T242-L246 PolarHBondContact O-N 3.08Å; T242-L246 VanDerWaalsContact O-N 3.13Å
243	L	98	Very high	97.2	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.016	12%	0.124	C	C	.	.	H	α-helix	trans	-65.1	-38.4	177.8	-166.1	60.9	0	0	0	111.6	L240 L246 L247 I254 L262 L276 V280 M283 T549	L240-L243 PolarHBondContact O-N 3.17Å; L240-L243 VanDerWaalsContact O-N 3.1Å; L243-L246 PolarHBondContact O-N 3.16Å; L243-L247 HydrophobicContact CG-CD1 4Å; L243-L247 HydrophobicContact CG-CG 4.42Å; L243-L247 VanDerWaalsContact O-CB 3.28Å; L243-L247 WeakPolarHBondContact O-CB 3.43Å; L243-L247 WeakPolarHBondContact O-CG 3.5Å; L243-L247 PolarHBondContact O-N 2.9Å; L243-I254 HydrophobicContact CD1-CD1 3.87Å; L243-I254 HydrophobicContact CD1-CG1 4.07Å; L243-I254 HydrophobicContact CD1-CG2 3.82Å; L243-L262 HydrophobicContact CB-CD1 4.49Å; L243-L262 HydrophobicContact CD2-CD1 4.04Å; L243-L276 HydrophobicContact CD2-CD1 3.85Å; L243-V280 HydrophobicContact CD2-CG2 3.61Å; L243-M283 HydrophobicContact CD2-CE 4.36Å; L243-M283 HydrophobicContact CG-CE 4.45Å; L243-T549 HydrophobicContact CD1-CG2 4.33Å
244	N	98.6	Very high	97.3	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.021	12%	0.123	C	C	.	.	H	α-helix	trans	-59.3	-51.6	176.9	-171.6	22.7	0	0	0	112	M199 L240 H241 T242 L246 L247 A248 M283 H287	M199-N244 PolarHBondContact O-ND2 2.93Å; M199-N244 VanDerWaalsContact O-ND2 3.08Å; L240-N244 WeakPolarHBondContact O-CB 3.36Å; L240-N244 PolarHBondContact O-N 2.89Å; H241-N244 PolarHBondContact O-N 3.36Å; T242-N244 VanDerWaalsContact C-N 3.31Å; T242-N244 PolarHBondContact O-N 3.15Å; N244-L246 VanDerWaalsContact C-N 3.32Å; N244-L246 PolarHBondContact O-N 3.18Å; N244-L247 PolarHBondContact O-N 2.81Å; N244-A248 WeakPolarHBondContact O-CB 3.47Å; N244-A248 PolarHBondContact O-N 3.45Å; N244-M283 HydrophobicContact CB-SD 3.49Å; N244-M283 WeakPolarHBondContact CB-SD 3.49Å; N244-H287 PolarHBondContact O-CE1 2.83Å; N244-H287 PolarHBondContact OD1-CE1 3.31Å; N244-H287 PolarHBondContact OD1-NE2 3.31Å
245	K	98	Very high	97.3	Very high	22 Å²	22	25.3 Å²	25.3	10%	0.096	13%	0.129	C	C	.	.	H	α-helix	trans	-64.6	-36.9	179.8	73.1	179.3	-178.4	-175.9	0	112.1	H241 T242 H249 E396 F399	H241-K245 PolarHBondContact O-N 3.45Å; T242-K245 VanDerWaalsContact O-CG 3.28Å; T242-K245 WeakPolarHBondContact O-CG 3.41Å; T242-K245 PolarHBondContact O-N 3.18Å; K245-H249 WeakPolarHBondContact O-CB 3.32Å; K245-H249 PolarHBondContact O-CD2 3.49Å; K245-H249 PolarHBondContact O-N 3.11Å; K245-E396 IonicContact NZ-OE1 3.01Å; K245-E396 PolarHBondContact NZ-OE1 3.38Å; K245-E396 IonicContact NZ-OE2 3.22Å; K245-E396 PolarHBondContact NZ-OE2 2.71Å; K245-F399 HydrophobicContact CB-CD1 4.06Å; K245-F399 HydrophobicContact CB-CE1 4.42Å; K245-F399 HydrophobicContact CB-CG 4.45Å; K245-F399 HydrophobicContact CD-CB 4.48Å; K245-F399 HydrophobicContact CD-CD1 4.4Å; K245-F399 HydrophobicContact CD-CD2 4.02Å; K245-F399 HydrophobicContact CD-CE2 4.32Å; K245-F399 HydrophobicContact CD-CG 4.08Å; K245-F399 HydrophobicContact CG-CD1 4.26Å; K245-F399 HydrophobicContact CG-CE1 4.32Å; K245-F399 HydrophobicContact CG-CG 4.43Å; K245-F399 WeakPolarHBondContact O-CE1 3.25Å
246	L	98.3	Very high	97.3	Very high	8 Å²	8	25.3 Å²	25.3	4%	0.042	12%	0.124	C	C	.	.	H	α-helix	trans	-68.1	-49.5	177.1	-66.3	-180	0	0	0	111.1	T242 L243 N244 A248 H249 R250 P251 L253 I254 F399	T242-L246 HydrophobicContact CG2-CD1 4.1Å; T242-L246 VanDerWaalsContact O-CG 3.24Å; T242-L246 WeakPolarHBondContact O-CG 3.37Å; T242-L246 PolarHBondContact O-N 3.08Å; T242-L246 VanDerWaalsContact O-N 3.13Å; L243-L246 PolarHBondContact O-N 3.16Å; N244-L246 VanDerWaalsContact C-N 3.32Å; N244-L246 PolarHBondContact O-N 3.18Å; L246-A248 VanDerWaalsContact C-N 3.29Å; L246-A248 PolarHBondContact O-N 3.11Å; L246-H249 PolarHBondContact O-N 3.12Å; L246-R250 CarbonylContact O-C 3.51Å; L246-R250 WeakPolarHBondContact O-CA 3.44Å; L246-R250 PolarHBondContact O-N 3.33Å; L246-P251 WeakPolarHBondContact O-CA 3.31Å; L246-L253 HydrophobicContact CD2-CB 4.01Å; L246-L253 HydrophobicContact CD2-CD1 4.36Å; L246-I254 HydrophobicContact CB-CD1 4.12Å; L246-I254 HydrophobicContact CB-CG1 3.65Å; L246-I254 HydrophobicContact CD1-CG1 4Å; L246-I254 HydrophobicContact CG-CG1 4.46Å; L246-F399 HydrophobicContact CD2-CE1 4.28Å; L246-F399 HydrophobicContact CD2-CE2 4.38Å; L246-F399 HydrophobicContact CD2-CZ 3.61Å
247	L	98.1	Very high	97.2	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-55.1	-43.2	176.2	-84.7	168.8	0	0	0	112.7	L243 N244 I254 V280 M283 A545 T549	L243-L247 HydrophobicContact CG-CD1 4Å; L243-L247 HydrophobicContact CG-CG 4.42Å; L243-L247 VanDerWaalsContact O-CB 3.28Å; L243-L247 WeakPolarHBondContact O-CB 3.43Å; L243-L247 WeakPolarHBondContact O-CG 3.5Å; L243-L247 PolarHBondContact O-N 2.9Å; N244-L247 PolarHBondContact O-N 2.81Å; L247-I254 HydrophobicContact CD2-CD1 3.94Å; L247-I254 HydrophobicContact CG-CD1 3.89Å; L247-V280 HydrophobicContact CD1-CG1 4.35Å; L247-V280 HydrophobicContact CD1-CG2 4.46Å; L247-M283 HydrophobicContact CD1-CB 4.06Å; L247-M283 HydrophobicContact CD1-CE 3.75Å; L247-M283 HydrophobicContact CD1-SD 4.41Å; L247-A545 HydrophobicContact CD2-CB 4.1Å; L247-T549 WeakPolarHBondContact CD2-OG1 3.47Å
248	A	98.1	Very high	97.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.7	-39.8	-178.6	0	0	0	0	0	112.7	R203 N244 L246 H287 R541	R203-A248 HydrophobicContact CB-CB 3.8Å; R203-A248 HydrophobicContact CG-CB 4.05Å; N244-A248 WeakPolarHBondContact O-CB 3.47Å; N244-A248 PolarHBondContact O-N 3.45Å; L246-A248 VanDerWaalsContact C-N 3.29Å; L246-A248 PolarHBondContact O-N 3.11Å; A248-H287 WeakPolarHBondContact CA-ND1 3.32Å; A248-R541 PolarHBondContact O-NH2 3.01Å
249	H	97	Very high	97.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-125.5	-39.1	-158.9	-65.7	-59.1	0	0	0	114.3	R203 H204 K245 L246 F399 Y401	R203-H249 PolarHBondContact NE-NE2 3.4Å; R203-H249 PolarHBondContact O-CE1 2.98Å; R203-H249 PolarHBondContact O-NE2 3.44Å; H204-H249 AromaticContact CE1-CE1 3.47Å; H204-H249 PolarHBondContact CE1-CE1 3.21Å; H204-H249 VanDerWaalsContact CE1-CE1 3.47Å; H204-H249 AromaticContact CE1-ND1 3.84Å; H204-H249 AromaticContact ND1-CE1 3.87Å; K245-H249 WeakPolarHBondContact O-CB 3.32Å; K245-H249 PolarHBondContact O-CD2 3.49Å; K245-H249 PolarHBondContact O-N 3.11Å; L246-H249 PolarHBondContact O-N 3.12Å; H249-F399 HydrophobicContact CB-CD1 3.96Å; H249-F399 HydrophobicContact CB-CE1 3.85Å; H249-F399 AromaticContact CD2-CD1 3.93Å; H249-F399 PolarHBondContact CD2-O 3.41Å; H249-F399 PolarHBondContact NE2-O 3.13Å; H249-Y401 PolarHBondContact ND1-N 3.34Å; H249-Y401 WeakPolarHBondContact O-CA 3.25Å; H249-Y401 WeakPolarHBondContact O-CD2 3.49Å
250	R	96.6	Very high	97.2	Very high	35 Å²	35	30.7 Å²	30.7	13%	0.132	15%	0.149	C	C	.	.			trans	-145	62.8	-173.1	-64.4	-172.9	-87.5	-167	-13.6	110.7	L246 W252 L253 F399 R400 E402	L246-R250 CarbonylContact O-C 3.51Å; L246-R250 WeakPolarHBondContact O-CA 3.44Å; L246-R250 PolarHBondContact O-N 3.33Å; R250-W252 HydrophobicContact CB-CD2 4.46Å; R250-W252 HydrophobicContact CB-CH2 4.26Å; R250-W252 HydrophobicContact CB-CZ2 3.88Å; R250-W252 HydrophobicContact CG-CH2 4.03Å; R250-W252 HydrophobicContact CG-CZ2 3.68Å; R250-W252 PolarHBondContact O-N 2.9Å; R250-W252 VanDerWaalsContact O-N 3.14Å; R250-L253 HydrophobicContact CB-CD1 3.79Å; R250-L253 HydrophobicContact CB-CG 4.11Å; R250-L253 HydrophobicContact CG-CD1 4.46Å; R250-L253 WeakPolarHBondContact O-CB 3.4Å; R250-L253 PolarHBondContact O-N 3.42Å; R250-L253 VanDerWaalsContact O-N 3.08Å; R250-F399 HydrophobicContact CB-CE1 4.36Å; R250-F399 HydrophobicContact CB-CZ 4.39Å; R250-F399 HydrophobicContact CG-CE1 4.31Å; R250-F399 HydrophobicContact CG-CZ 4.48Å; R250-F399 VanDerWaalsContact NE-CE1 3.32Å; R250-R400 PolarHBondContact NE-O 2.8Å; R250-E402 IonicContact CZ-OE1 2.58Å; R250-E402 IonicContact CZ-OE2 2.99Å; R250-E402 IonicContact NH1-OE1 3.34Å; R250-E402 PolarHBondContact NH1-OE1 3.28Å; R250-E402 IonicContact NH1-OE2 2.69Å; R250-E402 PolarHBondContact NH1-OE2 3.49Å; R250-E402 IonicContact NH2-OE1 3.02Å
251	P	97.3	Very high	97.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-63.7	-23.7	-171.1	24.4	-35.2	0	0	0	113.1	L246 L253 I254 Y479 A545 Y548	L246-P251 WeakPolarHBondContact O-CA 3.31Å; P251-L253 PolarHBondContact O-N 3.02Å; P251-I254 HydrophobicContact CB-CD1 4.3Å; P251-I254 WeakPolarHBondContact O-CB 3.44Å; P251-I254 VanDerWaalsContact O-CG1 3.25Å; P251-I254 WeakPolarHBondContact O-CG1 3.41Å; P251-I254 PolarHBondContact O-N 2.91Å; P251-I254 VanDerWaalsContact O-N 3.09Å; P251-Y479 HydrophobicContact CG-CD1 3.52Å; P251-Y479 HydrophobicContact CG-CE1 3.8Å; P251-A545 HydrophobicContact CB-CB 4.42Å; P251-Y548 HydrophobicContact CB-CD2 3.96Å; P251-Y548 HydrophobicContact CB-CG 4.39Å; P251-Y548 HydrophobicContact CG-CD2 4.06Å; P251-Y548 VanDerWaalsContact O-CB 3.28Å; P251-Y548 WeakPolarHBondContact O-CB 3.28Å
252	W	95.9	Very high	97.2	Very high	24 Å²	24	34 Å²	34	9%	0.091	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-65.7	-15.6	175.9	58.9	87.4	0	0	0	115	R250 I254 Y401 E402 F404 Y479 Y548	R250-W252 HydrophobicContact CB-CD2 4.46Å; R250-W252 HydrophobicContact CB-CH2 4.26Å; R250-W252 HydrophobicContact CB-CZ2 3.88Å; R250-W252 HydrophobicContact CG-CH2 4.03Å; R250-W252 HydrophobicContact CG-CZ2 3.68Å; R250-W252 PolarHBondContact O-N 2.9Å; R250-W252 VanDerWaalsContact O-N 3.14Å; W252-I254 VanDerWaalsContact C-N 3.3Å; W252-Y401 AromaticContact CH2-CD2 3.86Å; W252-Y401 HydrophobicContact CH2-CD2 3.86Å; W252-Y401 AromaticContact CH2-CE2 3.49Å; W252-Y401 HydrophobicContact CH2-CE2 3.49Å; W252-Y401 VanDerWaalsContact CH2-CE2 3.49Å; W252-Y401 HydrophobicContact CZ3-CD2 4.3Å; W252-Y401 AromaticContact CZ3-CE2 3.81Å; W252-Y401 HydrophobicContact CZ3-CE2 3.81Å; W252-E402 VanDerWaalsContact CH2-O 3.31Å; W252-E402 WeakPolarHBondContact CH2-O 3.5Å; W252-E402 WeakPolarHBondContact CZ2-O 3.14Å; W252-F404 HydrophobicContact CB-CD2 4.07Å; W252-F404 HydrophobicContact CB-CE2 3.5Å; W252-F404 VanDerWaalsContact CB-CE2 3.5Å; W252-F404 AromaticContact CD1-CD2 3.95Å; W252-F404 AromaticContact CD1-CE2 3.83Å; W252-F404 AromaticContact CD2-CD2 3.36Å; W252-F404 HydrophobicContact CD2-CD2 3.36Å; W252-F404 AromaticContact CD2-CE2 3.78Å; W252-F404 HydrophobicContact CD2-CE2 3.78Å; W252-F404 HydrophobicContact CD2-CG 4.46Å; W252-F404 AromaticContact CE2-CD2 3.72Å; W252-F404 AromaticContact CE3-CD2 3.64Å; W252-F404 HydrophobicContact CE3-CD2 3.64Å; W252-F404 HydrophobicContact CE3-CE2 4.26Å; W252-F404 AromaticContact CG-CD2 3.55Å; W252-F404 HydrophobicContact CG-CD2 3.55Å; W252-F404 AromaticContact CG-CE2 3.41Å; W252-F404 HydrophobicContact CG-CE2 3.41Å; W252-F404 VanDerWaalsContact CG-CE2 3.41Å; W252-F404 HydrophobicContact CH2-CB 4.4Å; W252-F404 HydrophobicContact CZ2-CB 4.36Å; W252-F404 HydrophobicContact CZ2-CD2 4.29Å; W252-F404 HydrophobicContact CZ3-CD2 4.21Å; W252-Y479 HydrophobicContact CE3-CD1 4.06Å; W252-Y479 AromaticContact CZ3-CD1 3.66Å; W252-Y479 HydrophobicContact CZ3-CD1 3.66Å; W252-Y479 HydrophobicContact CZ3-CE1 4.21Å; W252-Y479 HydrophobicContact CZ3-CG 4.48Å; W252-Y548 HydrophobicContact CB-CD1 4.12Å; W252-Y548 HydrophobicContact CB-CD2 4.46Å; W252-Y548 HydrophobicContact CB-CE1 3.67Å; W252-Y548 HydrophobicContact CB-CE2 4.06Å
253	L	95.9	Very high	97.1	Very high	66 Å²	66	33.2 Å²	33.2	35%	0.346	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-84.3	-4.9	174.7	-62.1	-179.2	0	0	0	113	L246 R250 P251 T255 H258	L246-L253 HydrophobicContact CD2-CB 4.01Å; L246-L253 HydrophobicContact CD2-CD1 4.36Å; R250-L253 HydrophobicContact CB-CD1 3.79Å; R250-L253 HydrophobicContact CB-CG 4.11Å; R250-L253 HydrophobicContact CG-CD1 4.46Å; R250-L253 WeakPolarHBondContact O-CB 3.4Å; R250-L253 PolarHBondContact O-N 3.42Å; R250-L253 VanDerWaalsContact O-N 3.08Å; P251-L253 PolarHBondContact O-N 3.02Å; L253-T255 WeakPolarHBondContact O-CG2 3.43Å; L253-H258 PolarHBondContact O-CE1 3.25Å; L253-H258 VanDerWaalsContact O-CE1 3.27Å
254	I	97.3	Very high	96.9	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	17%	0.17	C	C	.	.			trans	-69.8	133.8	175.9	-59.1	169.7	0	0	0	108.4	L243 L246 L247 P251 W252 T549 S552	L243-I254 HydrophobicContact CD1-CD1 3.87Å; L243-I254 HydrophobicContact CD1-CG1 4.07Å; L243-I254 HydrophobicContact CD1-CG2 3.82Å; L246-I254 HydrophobicContact CB-CD1 4.12Å; L246-I254 HydrophobicContact CB-CG1 3.65Å; L246-I254 HydrophobicContact CD1-CG1 4Å; L246-I254 HydrophobicContact CG-CG1 4.46Å; L247-I254 HydrophobicContact CD2-CD1 3.94Å; L247-I254 HydrophobicContact CG-CD1 3.89Å; P251-I254 HydrophobicContact CB-CD1 4.3Å; P251-I254 WeakPolarHBondContact O-CB 3.44Å; P251-I254 VanDerWaalsContact O-CG1 3.25Å; P251-I254 WeakPolarHBondContact O-CG1 3.41Å; P251-I254 PolarHBondContact O-N 2.91Å; P251-I254 VanDerWaalsContact O-N 3.09Å; W252-I254 VanDerWaalsContact C-N 3.3Å; I254-T549 WeakPolarHBondContact CD1-OG1 3.32Å; I254-T549 HydrophobicContact CG2-CG2 4.49Å; I254-S552 PolarHBondContact O-OG 3.18Å
255	T	96.7	Very high	96.1	Very high	60 Å²	60	38.6 Å²	38.6	37%	0.368	20%	0.203	S	C	.	.			trans	-133.2	167.3	-174.9	68.5	0	0	0	0	110	L253 Q257 H258 I259	L253-T255 WeakPolarHBondContact O-CG2 3.43Å; T255-Q257 PolarHBondContact O-N 3.39Å; T255-Q257 PolarHBondContact OG1-N 3.46Å; T255-H258 PolarHBondContact N-ND1 3.16Å; T255-H258 VanDerWaalsContact N-ND1 3.16Å; T255-H258 PolarHBondContact O-N 2.9Å; T255-H258 PolarHBondContact OG1-ND1 2.91Å; T255-I259 PolarHBondContact O-N 3.33Å
256	Q	96.3	Very high	95.3	Very high	83 Å²	83	40.9 Å²	40.9	39%	0.388	23%	0.233	S	C	.	.	H	α-helix	trans	-54.2	-34.5	172.7	177.6	175.3	2.1	0	0	112.8	I259 Q260 A555 Y556	Q256-I259 WeakPolarHBondContact O-CB 3.42Å; Q256-I259 PolarHBondContact O-N 3.5Å; Q256-Q260 WeakPolarHBondContact O-CB 3.16Å; Q256-Q260 PolarHBondContact O-N 3.3Å; Q256-A555 HydrophobicContact CB-CB 4.48Å; Q256-A555 PolarHBondContact NE2-O 3.48Å; Q256-Y556 HydrophobicContact CG-CD2 4.26Å
257	Q	96.8	Very high	94.7	Very high	119 Å²	119	41 Å²	41	56%	0.556	24%	0.236	S	C	*	.	H	α-helix	trans	-62.8	-44.5	-179.9	-175.4	-177.1	-17.3	0	0	111.6	T255 I259 Q260 E261	T255-Q257 PolarHBondContact O-N 3.39Å; T255-Q257 PolarHBondContact OG1-N 3.46Å; Q257-I259 PolarHBondContact O-N 3.1Å; Q257-Q260 WeakPolarHBondContact O-CB 3.33Å; Q257-Q260 PolarHBondContact O-N 3.25Å; Q257-Q260 VanDerWaalsContact O-N 3.11Å; Q257-E261 HydrophobicContact CG-CG 4.46Å; Q257-E261 WeakPolarHBondContact CG-OE1 3.07Å; Q257-E261 PolarHBondContact NE2-OE1 3.09Å; Q257-E261 WeakPolarHBondContact O-CG 3.29Å; Q257-E261 PolarHBondContact O-N 2.98Å
258	H	97.4	Very high	94.1	Very high	44 Å²	44	49.9 Å²	49.9	20%	0.204	28%	0.277	C	S	.	.	H	α-helix	trans	-59.5	-34	176.2	-61.7	113.1	0	0	0	112.2	L253 T255	L253-H258 PolarHBondContact O-CE1 3.25Å; L253-H258 VanDerWaalsContact O-CE1 3.27Å; T255-H258 PolarHBondContact N-ND1 3.16Å; T255-H258 VanDerWaalsContact N-ND1 3.16Å; T255-H258 PolarHBondContact O-N 2.9Å; T255-H258 PolarHBondContact OG1-ND1 2.91Å
259	I	97.9	Very high	93.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-71.5	-47.2	174.2	-53.1	-53.6	0	0	0	110.3	T255 Q256 Q257 E261 L262 V263 L276 T549 I553 Y556	T255-I259 PolarHBondContact O-N 3.33Å; Q256-I259 WeakPolarHBondContact O-CB 3.42Å; Q256-I259 PolarHBondContact O-N 3.5Å; Q257-I259 PolarHBondContact O-N 3.1Å; I259-E261 VanDerWaalsContact C-N 3.32Å; I259-E261 PolarHBondContact O-N 3.31Å; I259-L262 PolarHBondContact O-N 3.41Å; I259-L262 VanDerWaalsContact O-N 3.09Å; I259-V263 HydrophobicContact CG2-CG2 4.23Å; I259-V263 WeakPolarHBondContact O-CG2 3.43Å; I259-V263 PolarHBondContact O-N 3.44Å; I259-V263 VanDerWaalsContact O-N 3.16Å; I259-L276 HydrophobicContact CD1-CD2 4.36Å; I259-L276 HydrophobicContact CG2-CD2 4.05Å; I259-T549 HydrophobicContact CD1-CG2 4.3Å; I259-I553 HydrophobicContact CD1-CG1 3.79Å; I259-I553 HydrophobicContact CG1-CG1 4.06Å; I259-I553 HydrophobicContact CG2-CG1 4.08Å; I259-Y556 HydrophobicContact CG2-CD1 4.17Å; I259-Y556 HydrophobicContact CG2-CG 3.97Å
260	Q	96.3	Very high	93.6	Very high	94 Å²	94	58.3 Å²	58.3	44%	0.439	31%	0.314	S	S	.	.	H	α-helix	trans	-57.6	-42.3	-179.4	179.7	176.7	-5.1	0	0	112.4	Q256 Q257 L262 V263 C264 Y556	Q256-Q260 WeakPolarHBondContact O-CB 3.16Å; Q256-Q260 PolarHBondContact O-N 3.3Å; Q257-Q260 WeakPolarHBondContact O-CB 3.33Å; Q257-Q260 PolarHBondContact O-N 3.25Å; Q257-Q260 VanDerWaalsContact O-N 3.11Å; Q260-L262 PolarHBondContact O-N 3.22Å; Q260-V263 PolarHBondContact O-N 3.42Å; Q260-C264 HydrophobicContact CG-CB 4.01Å; Q260-C264 WeakPolarHBondContact O-CB 3.4Å; Q260-C264 PolarHBondContact O-N 3.18Å; Q260-C264 PolarHBondContact O-SG 3.46Å; Q260-Y556 HydrophobicContact CB-CD2 3.93Å; Q260-Y556 HydrophobicContact CB-CE2 3.78Å; Q260-Y556 HydrophobicContact CG-CE2 3.96Å
261	E	95.7	Very high	93.7	Very high	105 Å²	105	56.7 Å²	56.7	49%	0.491	31%	0.308	S	S	.	.	H	α-helix	trans	-58.8	-28	178.4	-74.9	170.1	-174.5	0	0	112.8	Q257 I259 A267	Q257-E261 HydrophobicContact CG-CG 4.46Å; Q257-E261 WeakPolarHBondContact CG-OE1 3.07Å; Q257-E261 PolarHBondContact NE2-OE1 3.09Å; Q257-E261 WeakPolarHBondContact O-CG 3.29Å; Q257-E261 PolarHBondContact O-N 2.98Å; I259-E261 VanDerWaalsContact C-N 3.32Å; I259-E261 PolarHBondContact O-N 3.31Å; E261-A267 WeakPolarHBondContact O-CB 3.42Å
262	L	97.1	Very high	93.7	Very high	12 Å²	12	59.2 Å²	59.2	6%	0.063	33%	0.326	C	S	.	.	H	α-helix	trans	-90.6	-34.6	-179.9	-66.4	171.8	0	0	0	113.5	S239 L240 L243 I259 Q260 W271 L276	S239-L262 WeakPolarHBondContact O-CD2 3.43Å; S239-L262 WeakPolarHBondContact OG-CD2 3.42Å; L240-L262 HydrophobicContact CD2-CD1 4.33Å; L243-L262 HydrophobicContact CB-CD1 4.49Å; L243-L262 HydrophobicContact CD2-CD1 4.04Å; I259-L262 PolarHBondContact O-N 3.41Å; I259-L262 VanDerWaalsContact O-N 3.09Å; Q260-L262 PolarHBondContact O-N 3.22Å; L262-W271 HydrophobicContact CB-CB 4.44Å; L262-W271 WeakPolarHBondContact O-CB 3.35Å; L262-W271 PolarHBondContact O-N 2.88Å; L262-L276 HydrophobicContact CB-CD2 4.5Å; L262-L276 HydrophobicContact CD1-CD1 3.7Å; L262-L276 HydrophobicContact CD1-CD2 4.44Å
263	V	96.5	Very high	93.8	Very high	15 Å²	15	60.3 Å²	60.3	9%	0.091	33%	0.333	C	S	.	.	H	α-helix	trans	-113.5	-10.3	-167.4	-49.1	0	0	0	0	115	I259 Q260 W271 L273 L276 Y556	I259-V263 HydrophobicContact CG2-CG2 4.23Å; I259-V263 WeakPolarHBondContact O-CG2 3.43Å; I259-V263 PolarHBondContact O-N 3.44Å; I259-V263 VanDerWaalsContact O-N 3.16Å; Q260-V263 PolarHBondContact O-N 3.42Å; V263-W271 WeakPolarHBondContact CA-O 3.17Å; V263-W271 WeakPolarHBondContact CB-O 3.3Å; V263-W271 HydrophobicContact CG1-CB 4.27Å; V263-W271 WeakPolarHBondContact CG1-O 3.27Å; V263-L273 HydrophobicContact CG1-CD2 4.25Å; V263-L273 HydrophobicContact CG2-CD2 4.38Å; V263-L276 HydrophobicContact CG1-CB 4.36Å; V263-L276 HydrophobicContact CG1-CD2 3.54Å; V263-Y556 HydrophobicContact CG2-CD1 3.88Å; V263-Y556 HydrophobicContact CG2-CE1 3.23Å; V263-Y556 HydrophobicContact CG2-CE2 4.1Å
264	C	92.4	Very high	93.9	Very high	33 Å²	33	58.7 Å²	58.7	22%	0.223	33%	0.329	C	S	.	.	S	Bend	trans	-64.3	154.4	-178	72.4	0	0	0	0	112.3	Q260 G266 A267	Q260-C264 HydrophobicContact CG-CB 4.01Å; Q260-C264 WeakPolarHBondContact O-CB 3.4Å; Q260-C264 PolarHBondContact O-N 3.18Å; Q260-C264 PolarHBondContact O-SG 3.46Å; C264-G266 PolarHBondContact O-N 3.18Å; C264-G266 VanDerWaalsContact O-N 3.11Å; C264-A267 WeakPolarHBondContact O-CB 3.45Å; C264-A267 PolarHBondContact O-N 3.01Å
265	A	82.7	Confident	93.9	Very high	87 Å²	87	60.4 Å²	60.4	72%	0.719	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-32.2	-174.5	0	0	0	0	0	113.5	R270	A265-R270 PolarHBondContact O-NE 3.01Å; A265-R270 PolarHBondContact O-NH2 3.38Å
266	G	81.9	Confident	94	Very high	71 Å²	71	57.6 Å²	57.6	73%	0.732	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	0.6	178.5	0	0	0	0	0	115.6	C264	C264-G266 PolarHBondContact O-N 3.18Å; C264-G266 VanDerWaalsContact O-N 3.11Å
267	A	83.9	Confident	94.1	Very high	11 Å²	11	53.6 Å²	53.6	9%	0.091	30%	0.301	C	S	.	.			trans	-69.9	130.7	175.3	0	0	0	0	0	110.5	E261 C264 R270	E261-A267 WeakPolarHBondContact O-CB 3.42Å; C264-A267 WeakPolarHBondContact O-CB 3.45Å; C264-A267 PolarHBondContact O-N 3.01Å; A267-R270 HydrophobicContact CB-CG 4.41Å; A267-R270 WeakPolarHBondContact O-CB 3.32Å; A267-R270 PolarHBondContact O-N 3.07Å
268	E	86.3	Confident	94.2	Very high	187 Å²	187	48 Å²	48	87%	0.874	28%	0.275	S	S	*	.	S	Bend	trans	-126.2	113.1	171.2	-70.1	-159.3	167	0	0	110.1
269	P	89.4	Confident	94.3	Very high	41 Å²	41	46 Å²	46	27%	0.266	27%	0.265	S	S	.	.	S	Bend	cis	-80.2	147.3	-4.7	32.7	-35	0	0	0	113	V235 K236	V235-P269 HydrophobicContact CB-CG 4.28Å; V235-P269 HydrophobicContact CG1-CG 4.12Å; K236-P269 HydrophobicContact CB-CB 3.81Å; K236-P269 HydrophobicContact CB-CG 3.45Å; K236-P269 VanDerWaalsContact CB-CG 3.45Å; K236-P269 HydrophobicContact CD-CB 4.29Å; K236-P269 HydrophobicContact CG-CB 4.01Å; K236-P269 HydrophobicContact CG-CG 3.91Å
270	R	95.3	Very high	94.3	Very high	136 Å²	136	46 Å²	46	51%	0.513	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-87.8	137.4	-178.3	-160	-174.6	-43.6	109.5	7.3	112.6	K236 A265 A267	K236-R270 WeakPolarHBondContact CE-O 3.09Å; K236-R270 PolarHBondContact NZ-O 3.44Å; K236-R270 VanDerWaalsContact NZ-O 3.08Å; A265-R270 PolarHBondContact O-NE 3.01Å; A265-R270 PolarHBondContact O-NH2 3.38Å; A267-R270 HydrophobicContact CB-CG 4.41Å; A267-R270 WeakPolarHBondContact O-CB 3.32Å; A267-R270 PolarHBondContact O-N 3.07Å
271	W	98.1	Very high	94.5	Very high	1 Å²	1	41.5 Å²	41.5	0%	0.004	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-96.9	134.7	166.5	-71.4	81.1	0	0	0	110.4	L188 K236 L237 S239 L240 L262 V263 E275 L276 A279	L188-W271 HydrophobicContact CD1-CZ3 4.26Å; L188-W271 HydrophobicContact CD2-CH2 4.17Å; L188-W271 HydrophobicContact CD2-CZ3 3.71Å; K236-W271 HydrophobicContact CG-CD2 4.32Å; K236-W271 HydrophobicContact CG-CZ2 3.7Å; K236-W271 WeakPolarHBondContact O-CZ2 3.17Å; K236-W271 PolarHBondContact O-NE1 3Å; L237-W271 HydrophobicContact CD2-CH2 4.15Å; L237-W271 HydrophobicContact CD2-CZ2 4.34Å; S239-W271 PolarHBondContact OG-NE1 3.25Å; L240-W271 HydrophobicContact CD1-CH2 3.58Å; L240-W271 HydrophobicContact CD1-CZ2 3.56Å; L240-W271 HydrophobicContact CD1-CZ3 4.41Å; L240-W271 HydrophobicContact CD2-CD2 4.36Å; L240-W271 HydrophobicContact CD2-CH2 4.27Å; L240-W271 HydrophobicContact CD2-CZ2 3.89Å; L240-W271 HydrophobicContact CG-CH2 4.09Å; L240-W271 HydrophobicContact CG-CZ2 3.59Å; L262-W271 HydrophobicContact CB-CB 4.44Å; L262-W271 WeakPolarHBondContact O-CB 3.35Å; L262-W271 PolarHBondContact O-N 2.88Å; V263-W271 WeakPolarHBondContact CA-O 3.17Å; V263-W271 WeakPolarHBondContact CB-O 3.3Å; V263-W271 HydrophobicContact CG1-CB 4.27Å; V263-W271 WeakPolarHBondContact CG1-O 3.27Å; W271-E275 HydrophobicContact CE3-CB 3.54Å; W271-E275 HydrophobicContact CZ3-CB 3.9Å; W271-L276 HydrophobicContact CB-CB 4.39Å; W271-A279 HydrophobicContact CH2-CB 4.3Å; W271-A279 HydrophobicContact CZ3-CB 3.93Å
272	S	97.7	Very high	94.6	Very high	53 Å²	53	36.5 Å²	36.5	37%	0.371	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-73	158.7	161.6	68.9	0	0	0	0	110.1	A274 E275 L276	S272-A274 PolarHBondContact O-N 3.15Å; S272-E275 PolarHBondContact N-OE2 2.8Å; S272-E275 PolarHBondContact O-N 3.13Å; S272-E275 WeakPolarHBondContact OG-CB 3.41Å; S272-E275 WeakPolarHBondContact OG-CG 3.33Å; S272-E275 PolarHBondContact OG-N 3.44Å; S272-E275 VanDerWaalsContact OG-N 3.09Å; S272-E275 PolarHBondContact OG-OE2 2.97Å; S272-E275 VanDerWaalsContact OG-OE2 3.14Å; S272-L276 WeakPolarHBondContact O-CB 3.4Å; S272-L276 PolarHBondContact O-N 2.89Å
273	L	97.9	Very high	94.7	Very high	47 Å²	47	36 Å²	36	25%	0.246	22%	0.218	C	C	.	.	H	α-helix	trans	-61.1	-32.7	174.8	-73.4	169.5	0	0	0	112.3	V263 I277 L433 I553 Y556 I557	V263-L273 HydrophobicContact CG1-CD2 4.25Å; V263-L273 HydrophobicContact CG2-CD2 4.38Å; L273-I277 WeakPolarHBondContact O-CB 3.35Å; L273-I277 WeakPolarHBondContact O-CG2 3.24Å; L273-I277 PolarHBondContact O-N 3.24Å; L273-L433 HydrophobicContact CB-CD1 4.38Å; L273-L433 HydrophobicContact CB-CD2 4.03Å; L273-I553 HydrophobicContact CD2-CG2 4.15Å; L273-Y556 HydrophobicContact CD2-CD1 4.4Å; L273-I557 HydrophobicContact CD1-CD1 3.92Å; L273-I557 HydrophobicContact CD1-CG1 3.88Å
274	A	98.1	Very high	94.8	Very high	32 Å²	32	35.3 Å²	35.3	26%	0.264	22%	0.215	S	C	.	.	H	α-helix	trans	-69.1	-44.1	176.8	0	0	0	0	0	112.1	P187 S272 I277 H278	P187-A274 HydrophobicContact CB-CB 4.2Å; P187-A274 HydrophobicContact CG-CB 3.85Å; S272-A274 PolarHBondContact O-N 3.15Å; A274-I277 WeakPolarHBondContact O-CG2 3.05Å; A274-H278 WeakPolarHBondContact O-CB 3.45Å; A274-H278 PolarHBondContact O-N 3.31Å
275	E	98.5	Very high	95.1	Very high	38 Å²	38	33.8 Å²	33.8	18%	0.178	20%	0.204	C	C	.	.	H	α-helix	trans	-64.7	-42.4	173.4	-69.7	168.8	133.3	0	0	111.3	P187 L188 K236 W271 S272 H278 A279	P187-E275 HydrophobicContact CB-CB 4.47Å; P187-E275 HydrophobicContact CB-CG 4Å; L188-E275 HydrophobicContact CD2-CB 3.98Å; L188-E275 HydrophobicContact CD2-CG 4Å; K236-E275 IonicContact NZ-OE1 2.54Å; K236-E275 PolarHBondContact NZ-OE1 3.36Å; K236-E275 IonicContact NZ-OE2 2.81Å; K236-E275 PolarHBondContact NZ-OE2 3.4Å; W271-E275 HydrophobicContact CE3-CB 3.54Å; W271-E275 HydrophobicContact CZ3-CB 3.9Å; S272-E275 PolarHBondContact N-OE2 2.8Å; S272-E275 PolarHBondContact O-N 3.13Å; S272-E275 WeakPolarHBondContact OG-CB 3.41Å; S272-E275 WeakPolarHBondContact OG-CG 3.33Å; S272-E275 PolarHBondContact OG-N 3.44Å; S272-E275 VanDerWaalsContact OG-N 3.09Å; S272-E275 PolarHBondContact OG-OE2 2.97Å; S272-E275 VanDerWaalsContact OG-OE2 3.14Å; E275-H278 PolarHBondContact O-N 2.77Å; E275-A279 PolarHBondContact O-N 3.37Å
276	L	98.6	Very high	95.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.2	-45.5	-178.6	-179.3	60.7	0	0	0	111.4	L240 L243 I259 L262 V263 W271 S272 H278 A279 V280	L240-L276 HydrophobicContact CD2-CD1 4.11Å; L243-L276 HydrophobicContact CD2-CD1 3.85Å; I259-L276 HydrophobicContact CD1-CD2 4.36Å; I259-L276 HydrophobicContact CG2-CD2 4.05Å; L262-L276 HydrophobicContact CB-CD2 4.5Å; L262-L276 HydrophobicContact CD1-CD1 3.7Å; L262-L276 HydrophobicContact CD1-CD2 4.44Å; V263-L276 HydrophobicContact CG1-CB 4.36Å; V263-L276 HydrophobicContact CG1-CD2 3.54Å; W271-L276 HydrophobicContact CB-CB 4.39Å; S272-L276 WeakPolarHBondContact O-CB 3.4Å; S272-L276 PolarHBondContact O-N 2.89Å; L276-H278 VanDerWaalsContact C-N 3.27Å; L276-H278 PolarHBondContact O-N 3.2Å; L276-A279 PolarHBondContact O-N 3.37Å; L276-V280 HydrophobicContact CD1-CG2 4.19Å; L276-V280 HydrophobicContact CG-CG2 4.34Å; L276-V280 WeakPolarHBondContact O-CB 3.2Å; L276-V280 VanDerWaalsContact O-CG2 3.28Å; L276-V280 WeakPolarHBondContact O-CG2 3.41Å; L276-V280 PolarHBondContact O-N 2.91Å
277	I	98.4	Very high	96.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.8	-38	179.1	-167.4	63.4	0	0	0	111.2	L273 A274 V280 I281 V430 L433 L434 L550 I553	L273-I277 WeakPolarHBondContact O-CB 3.35Å; L273-I277 WeakPolarHBondContact O-CG2 3.24Å; L273-I277 PolarHBondContact O-N 3.24Å; A274-I277 WeakPolarHBondContact O-CG2 3.05Å; I277-V280 PolarHBondContact O-N 3.05Å; I277-I281 HydrophobicContact CG1-CD1 4.08Å; I277-I281 WeakPolarHBondContact O-CG1 3.27Å; I277-I281 PolarHBondContact O-N 3.35Å; I277-V430 HydrophobicContact CD1-CG2 4.41Å; I277-L433 HydrophobicContact CB-CB 4.24Å; I277-L433 HydrophobicContact CB-CD1 4.39Å; I277-L433 HydrophobicContact CG1-CB 4.41Å; I277-L433 HydrophobicContact CG2-CB 3.7Å; I277-L434 HydrophobicContact CG2-CB 3.8Å; I277-L550 HydrophobicContact CD1-CD2 3.38Å; I277-I553 HydrophobicContact CD1-CD1 4.05Å
278	H	98.7	Very high	97.4	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.009	13%	0.132	C	C	.	.	H	α-helix	trans	-64	-46.5	176.5	-166.4	179.8	0	0	0	110.9	L181 L188 R193 A274 E275 L276 V280 I281 L282 L434	L181-H278 PolarHBondContact O-NE2 3.07Å; L188-H278 HydrophobicContact CD1-CB 4.11Å; L188-H278 HydrophobicContact CG-CB 4.39Å; R193-H278 PolarHBondContact NE-CE1 3.21Å; R193-H278 VanDerWaalsContact NE-CE1 3.34Å; A274-H278 WeakPolarHBondContact O-CB 3.45Å; A274-H278 PolarHBondContact O-N 3.31Å; E275-H278 PolarHBondContact O-N 2.77Å; L276-H278 VanDerWaalsContact C-N 3.27Å; L276-H278 PolarHBondContact O-N 3.2Å; H278-V280 PolarHBondContact O-N 2.97Å; H278-I281 PolarHBondContact O-N 3.15Å; H278-L282 WeakPolarHBondContact O-CB 3.43Å; H278-L282 VanDerWaalsContact O-CG 3.27Å; H278-L282 WeakPolarHBondContact O-CG 3.3Å; H278-L282 PolarHBondContact O-N 2.68Å; H278-L434 HydrophobicContact CB-CD2 4.1Å
279	A	98.8	Very high	98	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.6	-41.4	175.6	0	0	0	0	0	112.7	L188 L240 W271 E275 L276 L282 M283	L188-A279 HydrophobicContact CD1-CB 4.1Å; L240-A279 HydrophobicContact CD1-CB 3.91Å; L240-A279 HydrophobicContact CD2-CB 4.34Å; W271-A279 HydrophobicContact CH2-CB 4.3Å; W271-A279 HydrophobicContact CZ3-CB 3.93Å; E275-A279 PolarHBondContact O-N 3.37Å; L276-A279 PolarHBondContact O-N 3.37Å; A279-L282 PolarHBondContact O-N 2.95Å; A279-M283 HydrophobicContact CB-CE 4.43Å; A279-M283 WeakPolarHBondContact O-CB 3.47Å; A279-M283 WeakPolarHBondContact O-CE 3.5Å; A279-M283 WeakPolarHBondContact O-CG 3.42Å; A279-M283 PolarHBondContact O-N 3.02Å
280	V	98.8	Very high	98.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60.6	-47	177.4	165.2	0	0	0	0	111.1	L243 L247 L276 I277 H278 M283 A284 L546 T549	L243-V280 HydrophobicContact CD2-CG2 3.61Å; L247-V280 HydrophobicContact CD1-CG1 4.35Å; L247-V280 HydrophobicContact CD1-CG2 4.46Å; L276-V280 HydrophobicContact CD1-CG2 4.19Å; L276-V280 HydrophobicContact CG-CG2 4.34Å; L276-V280 WeakPolarHBondContact O-CB 3.2Å; L276-V280 VanDerWaalsContact O-CG2 3.28Å; L276-V280 WeakPolarHBondContact O-CG2 3.41Å; L276-V280 PolarHBondContact O-N 2.91Å; I277-V280 PolarHBondContact O-N 3.05Å; H278-V280 PolarHBondContact O-N 2.97Å; V280-M283 HydrophobicContact CG2-CE 4.47Å; V280-M283 PolarHBondContact O-N 3.05Å; V280-A284 WeakPolarHBondContact O-CB 3.49Å; V280-A284 PolarHBondContact O-N 3.33Å; V280-L546 HydrophobicContact CG1-CD2 4Å; V280-T549 HydrophobicContact CB-CG2 4.4Å; V280-T549 HydrophobicContact CG1-CG2 3.69Å; V280-T549 HydrophobicContact CG2-CG2 3.76Å
281	I	98.8	Very high	98.6	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-64.8	-44.5	178.7	-64.8	165.6	0	0	0	110.2	L181 I277 H278 M283 A284 H285 V430 L434 M437 L441 L546	L181-I281 HydrophobicContact CD2-CB 4.46Å; L181-I281 HydrophobicContact CD2-CG2 3.63Å; I277-I281 HydrophobicContact CG1-CD1 4.08Å; I277-I281 WeakPolarHBondContact O-CG1 3.27Å; I277-I281 PolarHBondContact O-N 3.35Å; H278-I281 PolarHBondContact O-N 3.15Å; I281-M283 PolarHBondContact O-N 3.37Å; I281-A284 PolarHBondContact O-N 3.33Å; I281-H285 WeakPolarHBondContact O-CB 3.35Å; I281-H285 PolarHBondContact O-N 2.91Å; I281-V430 HydrophobicContact CD1-CG1 3.9Å; I281-V430 HydrophobicContact CD1-CG2 4.41Å; I281-L434 HydrophobicContact CD1-CD2 4.06Å; I281-M437 HydrophobicContact CD1-CG 3.85Å; I281-L441 HydrophobicContact CD1-CD1 4.1Å; I281-L441 HydrophobicContact CG1-CD1 4.33Å; I281-L441 HydrophobicContact CG2-CD1 4.1Å; I281-L441 HydrophobicContact CG2-CD2 4.44Å; I281-L546 HydrophobicContact CG1-CD2 3.96Å
282	L	98.9	Very high	98.6	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-58.1	-45.8	176.2	-73.1	165.4	0	0	0	112.5	L181 F182 L188 R193 V196 H278 A279 T286	L181-L282 HydrophobicContact CB-CD2 4.22Å; L181-L282 HydrophobicContact CD2-CD2 4.27Å; F182-L282 HydrophobicContact CD1-CD2 4.1Å; F182-L282 HydrophobicContact CE1-CD2 3.46Å; F182-L282 VanDerWaalsContact CE1-CD2 3.46Å; F182-L282 HydrophobicContact CE2-CD2 4.21Å; F182-L282 HydrophobicContact CZ-CD2 3.52Å; L188-L282 HydrophobicContact CD1-CD1 4.2Å; R193-L282 HydrophobicContact CB-CD1 3.75Å; R193-L282 HydrophobicContact CB-CD2 4.33Å; R193-L282 HydrophobicContact CG-CD1 3.88Å; V196-L282 HydrophobicContact CG1-CB 3.98Å; H278-L282 WeakPolarHBondContact O-CB 3.43Å; H278-L282 VanDerWaalsContact O-CG 3.27Å; H278-L282 WeakPolarHBondContact O-CG 3.3Å; H278-L282 PolarHBondContact O-N 2.68Å; A279-L282 PolarHBondContact O-N 2.95Å; L282-T286 WeakPolarHBondContact O-CB 3.11Å; L282-T286 PolarHBondContact O-N 3.5Å; L282-T286 PolarHBondContact O-OG1 2.76Å
283	M	98.9	Very high	98.6	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.005	4%	0.037	C	C	.	.	H	α-helix	trans	-64.5	-51.4	178	-71.4	-175.2	-72.2	0	0	111.3	V196 A200 L240 L243 N244 L247 A279 V280 I281 H285 T286 H287	V196-M283 HydrophobicContact CG1-CG 3.54Å; V196-M283 HydrophobicContact CG1-SD 4.48Å; A200-M283 HydrophobicContact CB-CB 4.19Å; A200-M283 HydrophobicContact CB-CG 4.17Å; L240-M283 HydrophobicContact CB-SD 4.48Å; L240-M283 HydrophobicContact CD2-CE 4.38Å; L243-M283 HydrophobicContact CD2-CE 4.36Å; L243-M283 HydrophobicContact CG-CE 4.45Å; N244-M283 HydrophobicContact CB-SD 3.49Å; N244-M283 WeakPolarHBondContact CB-SD 3.49Å; L247-M283 HydrophobicContact CD1-CB 4.06Å; L247-M283 HydrophobicContact CD1-CE 3.75Å; L247-M283 HydrophobicContact CD1-SD 4.41Å; A279-M283 HydrophobicContact CB-CE 4.43Å; A279-M283 WeakPolarHBondContact O-CB 3.47Å; A279-M283 WeakPolarHBondContact O-CE 3.5Å; A279-M283 WeakPolarHBondContact O-CG 3.42Å; A279-M283 PolarHBondContact O-N 3.02Å; V280-M283 HydrophobicContact CG2-CE 4.47Å; V280-M283 PolarHBondContact O-N 3.05Å; I281-M283 PolarHBondContact O-N 3.37Å; M283-H285 PolarHBondContact O-N 3.28Å; M283-T286 PolarHBondContact O-N 3Å; M283-H287 PolarHBondContact O-N 3.04Å; M283-H287 PolarHBondContact O-ND1 3.16Å; M283-H287 VanDerWaalsContact O-ND1 3.12Å
284	A	98.8	Very high	98.6	Very high	2 Å²	2	6.3 Å²	6.3	2%	0.017	3%	0.034	C	C	.	.	H	α-helix	trans	-61.4	-43.4	-179.1	0	0	0	0	0	111.9	V280 I281 T286 H287 S288 L542 A545 L546	V280-A284 WeakPolarHBondContact O-CB 3.49Å; V280-A284 PolarHBondContact O-N 3.33Å; I281-A284 PolarHBondContact O-N 3.33Å; A284-T286 PolarHBondContact O-N 3.48Å; A284-H287 PolarHBondContact O-N 3.2Å; A284-S288 PolarHBondContact O-N 3.47Å; A284-L542 VanDerWaalsContact C-CD1 3.47Å; A284-L542 HydrophobicContact CB-CD1 3.59Å; A284-A545 HydrophobicContact CB-CB 4.33Å; A284-L546 HydrophobicContact CB-CD2 3.89Å; A284-L546 HydrophobicContact CB-CG 4.22Å
285	H	98.8	Very high	98.6	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-60.9	-42.8	175.3	-171.9	80.1	0	0	0	112	F174 Q178 L181 I281 M283 S288 L289	F174-H285 AromaticContact CE2-CE1 3.94Å; F174-H285 AromaticContact CE2-NE2 3.77Å; Q178-H285 PolarHBondContact NE2-CD2 3.37Å; Q178-H285 PolarHBondContact NE2-NE2 3.4Å; L181-H285 HydrophobicContact CD1-CB 4.31Å; I281-H285 WeakPolarHBondContact O-CB 3.35Å; I281-H285 PolarHBondContact O-N 2.91Å; M283-H285 PolarHBondContact O-N 3.28Å; H285-S288 PolarHBondContact O-N 3.23Å; H285-S288 PolarHBondContact O-OG 3.2Å; H285-L289 WeakPolarHBondContact NE2-CD1 3.18Å; H285-L289 WeakPolarHBondContact O-CB 3.4Å; H285-L289 WeakPolarHBondContact O-CG 3.45Å; H285-L289 PolarHBondContact O-N 3.17Å
286	T	98.9	Very high	98.6	Very high	0 Å²	0	3 Å²	3	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-70.9	-36.6	179.5	-51.5	0	0	0	0	111.5	S197 A200 A201 M209 L282 M283 A284 L289 C290	S197-T286 VanDerWaalsContact CB-OG1 3.31Å; S197-T286 WeakPolarHBondContact CB-OG1 3.27Å; S197-T286 WeakPolarHBondContact O-CG2 3.24Å; S197-T286 PolarHBondContact OG-OG1 2.73Å; A200-T286 HydrophobicContact CB-CG2 4.04Å; A201-T286 HydrophobicContact CB-CG2 3.86Å; M209-T286 HydrophobicContact CE-CG2 4.32Å; L282-T286 WeakPolarHBondContact O-CB 3.11Å; L282-T286 PolarHBondContact O-N 3.5Å; L282-T286 PolarHBondContact O-OG1 2.76Å; M283-T286 PolarHBondContact O-N 3Å; A284-T286 PolarHBondContact O-N 3.48Å; T286-L289 PolarHBondContact O-N 3.01Å; T286-C290 PolarHBondContact O-N 2.84Å; T286-C290 PolarHBondContact O-SG 3.48Å
287	H	98.8	Very high	98.5	Very high	3 Å²	3	3.3 Å²	3.3	1%	0.014	2%	0.017	C	C	.	.	H	α-helix	trans	-61.9	-45	173.7	-62.8	148.8	0	0	0	111.9	A200 H204 N244 A248 M283 A284 C290 S291 R541	A200-H287 WeakPolarHBondContact CA-NE2 3.32Å; A200-H287 WeakPolarHBondContact CB-NE2 3.02Å; A200-H287 PolarHBondContact O-CD2 2.96Å; A200-H287 VanDerWaalsContact O-CD2 3.25Å; A200-H287 PolarHBondContact O-NE2 3.34Å; H204-H287 AromaticContact CD2-CD2 3.87Å; H204-H287 AromaticContact NE2-CD2 3.96Å; N244-H287 PolarHBondContact O-CE1 2.83Å; N244-H287 PolarHBondContact OD1-CE1 3.31Å; N244-H287 PolarHBondContact OD1-NE2 3.31Å; A248-H287 WeakPolarHBondContact CA-ND1 3.32Å; M283-H287 PolarHBondContact O-N 3.04Å; M283-H287 PolarHBondContact O-ND1 3.16Å; M283-H287 VanDerWaalsContact O-ND1 3.12Å; A284-H287 PolarHBondContact O-N 3.2Å; H287-C290 WeakPolarHBondContact O-CB 3.47Å; H287-C290 PolarHBondContact O-N 2.69Å; H287-S291 PolarHBondContact O-N 3.02Å; H287-S291 PolarHBondContact O-OG 3.08Å; H287-R541 PolarHBondContact O-NH1 2.88Å
288	S	98.6	Very high	98.5	Very high	1 Å²	1	4.3 Å²	4.3	1%	0.007	2%	0.022	C	C	.	.	H	α-helix	trans	-62.2	-46.6	177.5	71	0	0	0	0	110.4	A284 H285 C290 S291 F292 M538	A284-S288 PolarHBondContact O-N 3.47Å; H285-S288 PolarHBondContact O-N 3.23Å; H285-S288 PolarHBondContact O-OG 3.2Å; S288-C290 VanDerWaalsContact C-N 3.3Å; S288-C290 PolarHBondContact O-N 3.38Å; S288-S291 WeakPolarHBondContact O-CA 3.44Å; S288-S291 WeakPolarHBondContact O-CB 3.38Å; S288-S291 PolarHBondContact O-N 3.03Å; S288-S291 PolarHBondContact O-OG 3.22Å; S288-F292 PolarHBondContact O-N 3.19Å; S288-M538 VanDerWaalsContact CB-O 3.3Å; S288-M538 WeakPolarHBondContact CB-O 3.26Å; S288-M538 WeakPolarHBondContact O-CG 3.25Å
289	L	98.7	Very high	98.4	Very high	2 Å²	2	5.5 Å²	5.5	1%	0.01	3%	0.028	C	C	.	.	H	α-helix	trans	-57.6	-38.3	174.5	-79.1	-178.5	0	0	0	113.3	L160 M164 F174 M209 H285 T286 S291 F292 V293 M538	L160-L289 HydrophobicContact CD1-CD2 3.94Å; M164-L289 HydrophobicContact CE-CD2 3.83Å; F174-L289 HydrophobicContact CE2-CD1 4.3Å; F174-L289 HydrophobicContact CE2-CD2 3.55Å; F174-L289 HydrophobicContact CE2-CG 4.34Å; F174-L289 HydrophobicContact CZ-CD1 4.27Å; F174-L289 HydrophobicContact CZ-CD2 3.81Å; M209-L289 HydrophobicContact CE-CB 4.03Å; M209-L289 HydrophobicContact CE-CD1 3.57Å; M209-L289 HydrophobicContact CE-CG 4.47Å; M209-L289 HydrophobicContact SD-CB 4.42Å; H285-L289 WeakPolarHBondContact NE2-CD1 3.18Å; H285-L289 WeakPolarHBondContact O-CB 3.4Å; H285-L289 WeakPolarHBondContact O-CG 3.45Å; H285-L289 PolarHBondContact O-N 3.17Å; T286-L289 PolarHBondContact O-N 3.01Å; L289-S291 PolarHBondContact O-N 3.1Å; L289-F292 WeakPolarHBondContact O-CB 3.35Å; L289-F292 PolarHBondContact O-N 3.09Å; L289-V293 VanDerWaalsContact O-CG2 3.3Å; L289-V293 WeakPolarHBondContact O-CG2 3.4Å; L289-V293 PolarHBondContact O-N 3.07Å; L289-M538 HydrophobicContact CD2-SD 3.69Å; L289-M538 HydrophobicContact CG-SD 4.47Å
290	C	98.6	Very high	98.2	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-59.5	-37	173.6	-67.2	0	0	0	0	111.9	H204 C206 T286 H287 S288 F292 V293 W294	H204-C290 HydrophobicContact CB-CB 3.89Å; C206-C290 HydrophobicContact CB-CB 3.91Å; C206-C290 WeakPolarHBondContact CB-SG 3.2Å; T286-C290 PolarHBondContact O-N 2.84Å; T286-C290 PolarHBondContact O-SG 3.48Å; H287-C290 WeakPolarHBondContact O-CB 3.47Å; H287-C290 PolarHBondContact O-N 2.69Å; S288-C290 VanDerWaalsContact C-N 3.3Å; S288-C290 PolarHBondContact O-N 3.38Å; C290-F292 VanDerWaalsContact C-N 3.34Å; C290-V293 PolarHBondContact O-N 3.18Å; C290-W294 PolarHBondContact O-N 3.07Å; C290-W294 VanDerWaalsContact O-N 3.1Å
291	S	98.4	Very high	97.9	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-58.2	-48.1	172.1	-29.3	0	0	0	0	110.9	H287 S288 L289 W294 G295 M506 R541	H287-S291 PolarHBondContact O-N 3.02Å; H287-S291 PolarHBondContact O-OG 3.08Å; S288-S291 WeakPolarHBondContact O-CA 3.44Å; S288-S291 WeakPolarHBondContact O-CB 3.38Å; S288-S291 PolarHBondContact O-N 3.03Å; S288-S291 PolarHBondContact O-OG 3.22Å; L289-S291 PolarHBondContact O-N 3.1Å; S291-W294 PolarHBondContact O-N 3.02Å; S291-G295 WeakPolarHBondContact O-CA 3.32Å; S291-G295 PolarHBondContact O-N 2.89Å; S291-M506 VanDerWaalsContact C-CE 3.41Å; S291-M506 WeakPolarHBondContact CB-O 3.1Å; S291-M506 VanDerWaalsContact O-CE 3.24Å; S291-M506 WeakPolarHBondContact O-CE 2.95Å; S291-M506 WeakPolarHBondContact O-CG 3.34Å; S291-R541 WeakPolarHBondContact OG-CD 3.37Å; S291-R541 PolarHBondContact OG-NH1 2.98Å
292	F	98.8	Very high	97.6	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-63.9	-45.4	179.8	-172.8	-92.6	0	0	0	112.7	L160 V163 M164 S288 L289 C290 W294 G295 C296 M506 V531 N534 L535 M538	L160-F292 HydrophobicContact CG-CD1 4.45Å; V163-F292 HydrophobicContact CB-CE1 4.35Å; V163-F292 HydrophobicContact CB-CZ 4.44Å; V163-F292 HydrophobicContact CG1-CE1 4.13Å; V163-F292 HydrophobicContact CG1-CZ 3.86Å; M164-F292 HydrophobicContact CE-CD1 3.85Å; M164-F292 HydrophobicContact CE-CD2 4.41Å; M164-F292 HydrophobicContact CE-CE1 3.9Å; M164-F292 HydrophobicContact CE-CE2 4.47Å; M164-F292 HydrophobicContact CE-CG 4.11Å; M164-F292 HydrophobicContact CE-CZ 4.21Å; M164-F292 HydrophobicContact CG-CE1 3.68Å; M164-F292 HydrophobicContact CG-CE2 4.37Å; M164-F292 HydrophobicContact CG-CZ 3.57Å; S288-F292 PolarHBondContact O-N 3.19Å; L289-F292 WeakPolarHBondContact O-CB 3.35Å; L289-F292 PolarHBondContact O-N 3.09Å; C290-F292 VanDerWaalsContact C-N 3.34Å; F292-W294 VanDerWaalsContact C-N 3.33Å; F292-W294 PolarHBondContact O-N 3.31Å; F292-G295 PolarHBondContact O-N 3.31Å; F292-C296 WeakPolarHBondContact O-CB 3.44Å; F292-C296 PolarHBondContact O-N 2.63Å; F292-M506 HydrophobicContact CB-CE 4.46Å; F292-V531 HydrophobicContact CE2-CG1 4.07Å; F292-V531 HydrophobicContact CZ-CG1 4.03Å; F292-N534 HydrophobicContact CD2-CB 3.85Å; F292-N534 HydrophobicContact CE2-CB 3.98Å; F292-L535 HydrophobicContact CD2-CD2 3.92Å; F292-L535 HydrophobicContact CE2-CD2 3.44Å; F292-L535 VanDerWaalsContact CE2-CD2 3.44Å; F292-L535 HydrophobicContact CE2-CG 4.11Å; F292-L535 HydrophobicContact CZ-CD2 4.19Å; F292-M538 HydrophobicContact CB-CG 4.45Å; F292-M538 HydrophobicContact CB-SD 3.52Å; F292-M538 VanDerWaalsContact CB-SD 3.52Å; F292-M538 HydrophobicContact CD2-SD 4.28Å; F292-M538 HydrophobicContact CG-SD 4.07Å
293	V	98.6	Very high	97.2	Very high	6 Å²	6	9.4 Å²	9.4	4%	0.036	5%	0.052	C	C	.	.	H	α-helix	trans	-55.7	-49	177.2	170.9	0	0	0	0	110.9	L160 Y208 M209 L289 C290 G297 L298	L160-V293 HydrophobicContact CD1-CG2 4.14Å; Y208-V293 HydrophobicContact CD1-CG1 4.22Å; Y208-V293 HydrophobicContact CD1-CG2 3.87Å; Y208-V293 HydrophobicContact CE1-CG2 4.31Å; Y208-V293 HydrophobicContact CG-CG1 4.06Å; M209-V293 HydrophobicContact CG-CG2 3.93Å; M209-V293 HydrophobicContact SD-CG2 4.02Å; L289-V293 VanDerWaalsContact O-CG2 3.3Å; L289-V293 WeakPolarHBondContact O-CG2 3.4Å; L289-V293 PolarHBondContact O-N 3.07Å; C290-V293 PolarHBondContact O-N 3.18Å; V293-G297 PolarHBondContact O-N 2.91Å; V293-G297 VanDerWaalsContact O-N 3.13Å; V293-L298 HydrophobicContact CB-CD2 4.36Å; V293-L298 HydrophobicContact CG1-CB 4.09Å; V293-L298 HydrophobicContact CG1-CD2 4.41Å; V293-L298 HydrophobicContact CG2-CD2 4.02Å; V293-L298 PolarHBondContact O-N 3.14Å
294	W	97.6	Very high	96.9	Very high	45 Å²	45	9.7 Å²	9.7	17%	0.17	5%	0.053	C	C	.	.	H	α-helix	trans	-72.8	-40	179.3	-76.3	119.7	0	0	0	112.9	F131 H204 C290 S291 F292 G297 R383 P510 E511 T513	F131-W294 WeakPolarHBondContact CE2-O 3.48Å; H204-W294 PolarHBondContact O-NE1 3.35Å; C290-W294 PolarHBondContact O-N 3.07Å; C290-W294 VanDerWaalsContact O-N 3.1Å; S291-W294 PolarHBondContact O-N 3.02Å; F292-W294 VanDerWaalsContact C-N 3.33Å; F292-W294 PolarHBondContact O-N 3.31Å; W294-G297 PolarHBondContact O-N 3.15Å; W294-G297 VanDerWaalsContact O-N 3.15Å; W294-R383 VanDerWaalsContact CZ3-CZ 3.43Å; W294-P510 HydrophobicContact CB-CB 3.96Å; W294-P510 WeakPolarHBondContact CB-O 3.3Å; W294-P510 HydrophobicContact CG-CB 4.09Å; W294-P510 VanDerWaalsContact CG-O 3.32Å; W294-E511 HydrophobicContact CZ2-CB 4.28Å; W294-T513 WeakPolarHBondContact O-CG2 3.39Å
295	G	97.7	Very high	96.5	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.7	-40.5	-179	0	0	0	0	0	113.5	S291 F292 Y518 N534	S291-G295 WeakPolarHBondContact O-CA 3.32Å; S291-G295 PolarHBondContact O-N 2.89Å; F292-G295 PolarHBondContact O-N 3.31Å; G295-Y518 WeakPolarHBondContact O-CD2 3.4Å; G295-N534 WeakPolarHBondContact CA-OD1 3.47Å; G295-N534 PolarHBondContact O-OD1 2.85Å
296	C	98.2	Very high	96	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-1.5	174.9	-67.8	0	0	0	0	113.1	S129 V163 F292 L298 N534	S129-C296 WeakPolarHBondContact CB-O 3.28Å; S129-C296 PolarHBondContact OG-O 3.41Å; V163-C296 HydrophobicContact CG1-CB 4.04Å; F292-C296 WeakPolarHBondContact O-CB 3.44Å; F292-C296 PolarHBondContact O-N 2.63Å; C296-L298 HydrophobicContact CB-CD1 3.32Å; C296-L298 PolarHBondContact O-N 3.26Å; C296-N534 PolarHBondContact N-OD1 3.5Å
297	G	97.3	Very high	95.7	Very high	8 Å²	8	18 Å²	18	8%	0.082	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	45.2	176.5	0	0	0	0	0	113.6	S129 A130 F131 V293 W294 N299	S129-G297 CarbonylContact C-O 3.58Å; S129-G297 WeakPolarHBondContact CA-O 3.37Å; A130-G297 PolarHBondContact N-O 3.43Å; F131-G297 VanDerWaalsContact CD2-CA 3.48Å; V293-G297 PolarHBondContact O-N 2.91Å; V293-G297 VanDerWaalsContact O-N 3.13Å; W294-G297 PolarHBondContact O-N 3.15Å; W294-G297 VanDerWaalsContact O-N 3.15Å; G297-N299 PolarHBondContact O-N 2.98Å
298	L	97.5	Very high	95.5	Very high	20 Å²	20	19.7 Å²	19.7	11%	0.105	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-60.6	134.4	-176.5	-86.2	55.9	0	0	0	111.2	P128 H159 L160 V163 Y208 V293 C296	P128-L298 CarbonylContact O-C 3.5Å; P128-L298 WeakPolarHBondContact O-CA 3.42Å; H159-L298 HydrophobicContact CB-CG 4.46Å; L160-L298 HydrophobicContact CB-CD2 3.79Å; L160-L298 HydrophobicContact CG-CD2 4.4Å; V163-L298 HydrophobicContact CG2-CD1 4.16Å; Y208-L298 HydrophobicContact CE1-CD2 4.4Å; Y208-L298 HydrophobicContact CE2-CD2 4.39Å; V293-L298 HydrophobicContact CB-CD2 4.36Å; V293-L298 HydrophobicContact CG1-CB 4.09Å; V293-L298 HydrophobicContact CG1-CD2 4.41Å; V293-L298 HydrophobicContact CG2-CD2 4.02Å; V293-L298 PolarHBondContact O-N 3.14Å; C296-L298 HydrophobicContact CB-CD1 3.32Å; C296-L298 PolarHBondContact O-N 3.26Å
299	N	96.3	Very high	95.2	Very high	28 Å²	28	21.1 Å²	21.1	15%	0.15	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-76.4	151.2	171.2	-71.8	-49.3	0	0	0	110.1	A125 G127 P128 S129 A130 H159 G297	A125-N299 HydrophobicContact CB-CB 3.57Å; G127-N299 PolarHBondContact O-ND2 3.38Å; P128-N299 PolarHBondContact O-N 3.38Å; S129-N299 PolarHBondContact O-ND2 2.86Å; A130-N299 PolarHBondContact N-ND2 3.06Å; H159-N299 PolarHBondContact ND1-O 2.94Å; G297-N299 PolarHBondContact O-N 2.98Å
300	P	94.6	Very high	94.7	Very high	48 Å²	48	23 Å²	23	31%	0.312	13%	0.134	S	C	.	.	P	Polyproline II helix	trans	-54.3	145.4	168.9	-22.3	33.1	0	0	0	111.4	H159 H304	H159-P300 PolarHBondContact CE1-O 3.39Å; P300-H304 HydrophobicContact CB-CB 4.34Å
301	E	94.3	Very high	93.9	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.019	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-60.3	150.2	174.3	-64.8	-60.8	136	0	0	111.3	H159 Y208 D303 H304 G307	H159-E301 WeakPolarHBondContact CB-OE1 3.38Å; H159-E301 IonicContact CD2-OE1 3.7Å; H159-E301 IonicContact CD2-OE2 2.92Å; H159-E301 IonicContact CG-OE1 2.76Å; H159-E301 PolarHBondContact N-OE1 2.88Å; H159-E301 IonicContact ND1-OE1 3.41Å; Y208-E301 HydrophobicContact CE2-CG 3.99Å; Y208-E301 WeakPolarHBondContact CE2-OE1 3.37Å; Y208-E301 PolarHBondContact OH-OE1 2.93Å; E301-D303 WeakPolarHBondContact CB-OD1 3.27Å; E301-D303 PolarHBondContact O-N 3Å; E301-H304 HydrophobicContact CB-CB 4.08Å; E301-H304 WeakPolarHBondContact O-CB 3.41Å; E301-H304 PolarHBondContact O-N 3.38Å; E301-G307 WeakPolarHBondContact O-CA 3.32Å
302	P	91.9	Very high	92.4	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.032	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-18	178	-23.1	33.4	0	0	0	114.8	L91 R95 Y308	L91-P302 HydrophobicContact CD2-CB 4.09Å; L91-P302 HydrophobicContact CG-CB 3.99Å; R95-P302 HydrophobicContact CB-CG 4.45Å; P302-Y308 WeakPolarHBondContact O-CB 3.33Å; P302-Y308 VanDerWaalsContact O-CD1 3.29Å; P302-Y308 WeakPolarHBondContact O-CD1 3.27Å
303	D	89.6	Confident	90.5	Very high	25 Å²	25	38.4 Å²	38.4	13%	0.134	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	1.1	174.5	62.1	-26.4	0	0	0	113.6	L88 K215 E301	L88-D303 HydrophobicContact CB-CB 4.01Å; K215-D303 IonicContact NZ-OD2 3.95Å; K215-D303 PolarHBondContact NZ-OD2 3.01Å; E301-D303 WeakPolarHBondContact CB-OD1 3.27Å; E301-D303 PolarHBondContact O-N 3Å
304	H	92.1	Very high	88.3	Confident	7 Å²	7	41.4 Å²	41.4	3%	0.032	24%	0.244	C	C	.	.	S	Bend	trans	-86.9	153.1	173.2	-75.9	-175.7	0	0	0	112.4	Q212 P300 E301 G306 G307 Y308	Q212-H304 PolarHBondContact OE1-CE1 3.35Å; Q212-H304 PolarHBondContact OE1-NE2 3.42Å; P300-H304 HydrophobicContact CB-CB 4.34Å; E301-H304 HydrophobicContact CB-CB 4.08Å; E301-H304 WeakPolarHBondContact O-CB 3.41Å; E301-H304 PolarHBondContact O-N 3.38Å; H304-G306 PolarHBondContact O-N 2.92Å; H304-G307 PolarHBondContact O-N 2.67Å; H304-Y308 WeakPolarHBondContact O-CD1 3.33Å; H304-Y308 VanDerWaalsContact O-CE1 3.25Å; H304-Y308 WeakPolarHBondContact O-CE1 3.38Å
305	I	90.3	Very high	86.2	Confident	128 Å²	128	45.4 Å²	45.4	66%	0.656	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	127.7	168.2	-58	174	0	0	0	108.4	Q211 G307	Q211-I305 PolarHBondContact NE2-O 3.41Å; I305-G307 VanDerWaalsContact C-N 3.32Å
306	G	89.9	Confident	83.7	Confident	47 Å²	47	50.5 Å²	50.5	49%	0.485	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	-1.1	-174.5	0	0	0	0	0	114.7	L124 H304	L124-G306 WeakPolarHBondContact CD1-O 3.31Å; H304-G306 PolarHBondContact O-N 2.92Å
307	G	92.1	Very high	81	Confident	2 Å²	2	57.4 Å²	57.4	2%	0.021	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-14.1	174.3	0	0	0	0	0	115	A123 L124 E301 H304 I305	A123-G307 WeakPolarHBondContact CA-O 3.5Å; L124-G307 PolarHBondContact N-O 2.96Å; E301-G307 WeakPolarHBondContact O-CA 3.32Å; H304-G307 PolarHBondContact O-N 2.67Å; I305-G307 VanDerWaalsContact C-N 3.32Å
308	Y	93.9	Very high	78.1	Confident	37 Å²	37	63.4 Å²	63.4	15%	0.145	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	160.3	179.7	64.9	-91.3	0	0	0	113.6	K84 L88 P121 R122 P302 H304 F310	K84-Y308 WeakPolarHBondContact CE-OH 3.39Å; K84-Y308 PolarHBondContact NZ-OH 2.88Å; L88-Y308 HydrophobicContact CD1-CD1 4.34Å; L88-Y308 HydrophobicContact CD1-CE1 3.7Å; L88-Y308 HydrophobicContact CD1-CE2 4.31Å; L88-Y308 HydrophobicContact CD2-CD1 3.4Å; L88-Y308 VanDerWaalsContact CD2-CD1 3.4Å; L88-Y308 HydrophobicContact CD2-CD2 3.64Å; L88-Y308 HydrophobicContact CD2-CE1 3.63Å; L88-Y308 HydrophobicContact CD2-CE2 3.89Å; L88-Y308 HydrophobicContact CD2-CG 3.39Å; L88-Y308 HydrophobicContact CG-CE1 4.33Å; P121-Y308 HydrophobicContact CB-CD2 4.35Å; R122-Y308 CarbonylContact O-C 3.51Å; R122-Y308 WeakPolarHBondContact O-CA 3.36Å; P302-Y308 WeakPolarHBondContact O-CB 3.33Å; P302-Y308 VanDerWaalsContact O-CD1 3.29Å; P302-Y308 WeakPolarHBondContact O-CD1 3.27Å; H304-Y308 WeakPolarHBondContact O-CD1 3.33Å; H304-Y308 VanDerWaalsContact O-CE1 3.25Å; H304-Y308 WeakPolarHBondContact O-CE1 3.38Å; Y308-F310 AromaticContact CD2-CD2 3.98Å; Y308-F310 HydrophobicContact CD2-CD2 3.98Å; Y308-F310 AromaticContact CD2-CE2 3.71Å; Y308-F310 HydrophobicContact CD2-CE2 3.71Å; Y308-F310 AromaticContact CE2-CD2 3.98Å; Y308-F310 HydrophobicContact CE2-CD2 3.98Å; Y308-F310 AromaticContact CE2-CE2 3.55Å; Y308-F310 HydrophobicContact CE2-CE2 3.55Å
309	A	93.4	Very high	75.3	Confident	31 Å²	31	67 Å²	67	26%	0.256	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	145.6	165.3	0	0	0	0	0	111	R122 L124	R122-A309 PolarHBondContact N-O 2.98Å; R122-A309 PolarHBondContact O-N 3.38Å; L124-A309 HydrophobicContact CD2-CB 3.79Å; L124-A309 HydrophobicContact CG-CB 4.41Å
310	F	88.6	Confident	72.4	Confident	43 Å²	43	76.8 Å²	76.8	19%	0.189	43%	0.432	C	S	.	.	S	Bend	trans	-86.5	-27.4	174.6	-79.3	-93.2	0	0	0	112	K84 L87 E119 P121 Y308	K84-F310 HydrophobicContact CD-CE2 4.27Å; K84-F310 HydrophobicContact CD-CZ 4.41Å; K84-F310 HydrophobicContact CG-CE2 4.1Å; K84-F310 HydrophobicContact CG-CZ 3.8Å; L87-F310 HydrophobicContact CD1-CE1 4.21Å; E119-F310 HydrophobicContact CB-CD1 4.28Å; E119-F310 HydrophobicContact CG-CB 4Å; E119-F310 HydrophobicContact CG-CD1 3.99Å; E119-F310 WeakPolarHBondContact O-CD1 3.37Å; E119-F310 WeakPolarHBondContact O-CE1 3.23Å; E119-F310 VanDerWaalsContact OE1-O 3.13Å; P121-F310 HydrophobicContact CB-CD1 4.41Å; P121-F310 HydrophobicContact CB-CD2 4.38Å; P121-F310 HydrophobicContact CB-CE1 3.99Å; P121-F310 HydrophobicContact CB-CE2 3.93Å; P121-F310 HydrophobicContact CB-CZ 3.7Å; P121-F310 HydrophobicContact CG-CE1 4.16Å; P121-F310 HydrophobicContact CG-CZ 3.98Å; Y308-F310 AromaticContact CD2-CD2 3.98Å; Y308-F310 HydrophobicContact CD2-CD2 3.98Å; Y308-F310 AromaticContact CD2-CE2 3.71Å; Y308-F310 HydrophobicContact CD2-CE2 3.71Å; Y308-F310 AromaticContact CE2-CD2 3.98Å; Y308-F310 HydrophobicContact CE2-CD2 3.98Å; Y308-F310 AromaticContact CE2-CE2 3.55Å; Y308-F310 HydrophobicContact CE2-CE2 3.55Å
311	H	80.3	Confident	69.6	Low	129 Å²	129	78 Å²	78	60%	0.597	44%	0.441	S	S	*	.	S	Bend	trans	-96	147.8	176.8	-55.2	-41.1	0	0	0	111.8	E119	E119-H311 IonicContact OE1-CE1 3.28Å; E119-H311 PolarHBondContact OE1-CE1 3.37Å; E119-H311 IonicContact OE1-CG 2.83Å; E119-H311 IonicContact OE1-ND1 3.11Å; E119-H311 PolarHBondContact OE1-ND1 3.07Å; E119-H311 IonicContact OE2-CE1 2.8Å
312	P	67.1	Low	66.9	Low	91 Å²	91	81.8 Å²	81.8	59%	0.591	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-59.2	145.7	167.7	24.4	-31.3	0	0	0	110.2	S314	P312-S314 PolarHBondContact O-N 3.01Å
313	P	59	Low	64.1	Low	102 Å²	102	88.9 Å²	88.9	66%	0.662	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-57.5	126.2	179.7	22.2	-31	0	0	0	109.5
314	S	53.5	Low	61.2	Low	70 Å²	70	92.1 Å²	92.1	49%	0.49	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-58.6	141.5	169.9	-68	0	0	0	0	108.6	P312 S316 H317	P312-S314 PolarHBondContact O-N 3.01Å; S314-S316 PolarHBondContact O-N 2.92Å; S314-H317 PolarHBondContact O-N 3.47Å
315	P	53.8	Low	58.5	Low	128 Å²	128	96.7 Å²	96.7	83%	0.831	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.3	-19.9	-178.8	-16.5	20.3	0	0	0	114.2
316	S	44.6	Very low	55.6	Low	107 Å²	107	94.7 Å²	94.7	75%	0.748	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-12.1	177	48.6	0	0	0	0	114.9	S314	S314-S316 PolarHBondContact O-N 2.92Å
317	H	40.8	Very low	53	Low	146 Å²	146	101.7 Å²	101.7	68%	0.676	58%	0.576	S	S	*	*			trans	-119.3	63.1	178.7	-98.4	-82.7	0	0	0	110	S314 P319	S314-H317 PolarHBondContact O-N 3.47Å; H317-P319 VanDerWaalsContact O-CD 3.29Å; H317-P319 WeakPolarHBondContact O-CD 3.44Å
318	I	36.9	Very low	50.6	Low	133 Å²	133	108.7 Å²	108.7	68%	0.682	61%	0.608	S	S	*	*			trans	-68.9	116.6	155.9	-58.1	171.6	0	0	0	104.8	R320	I318-R320 PolarHBondContact O-N 3.36Å
319	P	38	Very low	47.9	Very low	96 Å²	96	113.9 Å²	113.9	62%	0.623	64%	0.638	S	S	*	*			trans	-56.6	112.4	166.8	-13.2	26.9	0	0	0	105	H317 S321	H317-P319 VanDerWaalsContact O-CD 3.29Å; H317-P319 WeakPolarHBondContact O-CD 3.44Å; P319-S321 PolarHBondContact O-N 3.29Å
320	R	36.8	Very low	45.3	Very low	234 Å²	234	116.3 Å²	116.3	88%	0.883	67%	0.666	S	S	*	*			trans	-60.8	96.8	171.1	-78.4	-178.9	173.6	171.7	-1.5	105.4	I318 P322	I318-R320 PolarHBondContact O-N 3.36Å; R320-P322 VanDerWaalsContact O-CD 3.24Å; R320-P322 WeakPolarHBondContact O-CD 3.49Å
321	S	35	Very low	43.2	Very low	74 Å²	74	124.2 Å²	124.2	52%	0.517	70%	0.695	S	S	.	*			trans	-48.5	115.1	151.9	-175.6	0	0	0	0	104.6	P319 H323	P319-S321 PolarHBondContact O-N 3.29Å; S321-H323 PolarHBondContact O-N 2.91Å
322	P	36.9	Very low	41.5	Very low	83 Å²	83	123.5 Å²	123.5	54%	0.539	70%	0.701	S	S	.	*	S	Bend	trans	-69	90.5	176.2	0	14.9	0	0	0	105.6	R320	R320-P322 VanDerWaalsContact O-CD 3.24Å; R320-P322 WeakPolarHBondContact O-CD 3.49Å
323	H	33.1	Very low	40.7	Very low	154 Å²	154	124.5 Å²	124.5	71%	0.713	70%	0.698	S	S	*	*			trans	63.9	90.8	179	-51.2	-76	0	0	0	114.4	S321 P325	S321-H323 PolarHBondContact O-N 2.91Å; H323-P325 WeakPolarHBondContact O-CD 3.08Å
324	S	29.7	Very low	40.4	Very low	93 Å²	93	127 Å²	127	65%	0.65	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-56.1	125	137.6	-62.2	0	0	0	0	106.5	A326	S324-A326 PolarHBondContact O-N 3.35Å
325	P	35.1	Very low	40.6	Very low	102 Å²	102	128.8 Å²	128.8	66%	0.662	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-54.5	130.9	166.2	-15.1	27.9	0	0	0	106.2	H323 H327	H323-P325 WeakPolarHBondContact O-CD 3.08Å; P325-H327 PolarHBondContact O-N 3.44Å
326	A	29.8	Very low	41	Very low	87 Å²	87	128.1 Å²	128.1	72%	0.719	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-50.2	142.9	166.4	0	0	0	0	0	107.8	S324 E328	S324-A326 PolarHBondContact O-N 3.35Å; A326-E328 PolarHBondContact O-N 3.31Å
327	H	35.2	Very low	42	Very low	193 Å²	193	123.1 Å²	123.1	89%	0.894	67%	0.667	S	S	*	*			trans	-38.2	111.2	168.9	-116	-86.4	0	0	0	109	P325 D329	P325-H327 PolarHBondContact O-N 3.44Å; H327-D329 PolarHBondContact O-N 2.83Å
328	E	41.1	Very low	43.6	Very low	150 Å²	150	117.3 Å²	117.3	70%	0.701	64%	0.644	S	S	*	*			trans	-66.5	104.5	172.1	-85.6	-176.3	178.7	0	0	107	A326 G330	A326-E328 PolarHBondContact O-N 3.31Å; E328-G330 PolarHBondContact O-N 2.96Å
329	D	36.8	Very low	45.8	Very low	146 Å²	146	114.5 Å²	114.5	78%	0.781	63%	0.634	S	S	*	*			trans	-58.7	121.2	166.5	-160.2	14.6	0	0	0	107.1	H327 R331	H327-D329 PolarHBondContact O-N 2.83Å; D329-R331 VanDerWaalsContact C-N 3.33Å; D329-R331 PolarHBondContact O-N 3.44Å
330	G	38.2	Very low	48.2	Very low	81 Å²	81	114.7 Å²	114.7	84%	0.835	63%	0.626	S	S	*	*			trans	-63.8	79.4	-165.8	0	0	0	0	0	114.6	E328	E328-G330 PolarHBondContact O-N 2.96Å
331	R	44.7	Very low	50.8	Low	210 Å²	210	103.7 Å²	103.7	79%	0.792	59%	0.585	S	S	*	*			trans	-98	154.1	163.1	-77.2	-167.5	-166.6	-139.1	3.8	110.6	D329 E333	D329-R331 VanDerWaalsContact C-N 3.33Å; D329-R331 PolarHBondContact O-N 3.44Å; R331-E333 VanDerWaalsContact C-N 3.34Å; R331-E333 PolarHBondContact O-N 3Å
332	P	45.8	Very low	53.5	Low	113 Å²	113	105 Å²	105	73%	0.734	58%	0.583	S	S	*	*			trans	-78.1	77.1	-170	32.1	-34.5	0	0	0	112
333	E	49.9	Very low	56.2	Low	113 Å²	113	104 Å²	104	53%	0.528	58%	0.575	S	S	.	*			trans	-80.8	-14.9	170.5	-73.4	-174.4	164.9	0	0	113.1	R331 V335 D336 G337	R331-E333 VanDerWaalsContact C-N 3.34Å; R331-E333 PolarHBondContact O-N 3Å; E333-V335 VanDerWaalsContact C-N 3.25Å; E333-V335 PolarHBondContact O-N 3.47Å; E333-D336 PolarHBondContact O-N 2.83Å; E333-G337 PolarHBondContact O-N 3.02Å
334	L	53.3	Low	59.2	Low	155 Å²	155	97.4 Å²	97.4	81%	0.812	55%	0.545	S	S	*	.	H	α-helix	trans	-62.4	-28.3	-178.3	-72.7	164.6	0	0	0	113.9
335	V	56.8	Low	62.3	Low	107 Å²	107	95.1 Å²	95.1	65%	0.648	52%	0.524	S	S	*	.	H	α-helix	trans	-78.8	-38.5	-178.8	-176.6	0	0	0	0	111.1	E333 V339	E333-V335 VanDerWaalsContact C-N 3.25Å; E333-V335 PolarHBondContact O-N 3.47Å; V335-V339 WeakPolarHBondContact O-CG2 3.36Å
336	D	63	Low	65.1	Low	114 Å²	114	96.6 Å²	96.6	61%	0.61	52%	0.52	S	S	*	.	H	α-helix	trans	-71	-39.7	-179.7	-159.1	26.4	0	0	0	111.1	E333 A338 V339 E340	E333-D336 PolarHBondContact O-N 2.83Å; D336-A338 PolarHBondContact O-N 3.38Å; D336-V339 WeakPolarHBondContact O-CB 3.3Å; D336-V339 PolarHBondContact O-N 3.33Å; D336-E340 PolarHBondContact O-N 3.09Å
337	G	65.1	Low	68.2	Low	1 Å²	1	97.8 Å²	97.8	1%	0.01	51%	0.506	C	S	.	.	H	α-helix	trans	-69.2	-28.8	178.8	0	0	0	0	0	115.6	E333 V339 V341 H524	E333-G337 PolarHBondContact O-N 3.02Å; G337-V339 VanDerWaalsContact C-N 3.35Å; G337-V341 WeakPolarHBondContact O-CG2 3.48Å; G337-V341 PolarHBondContact O-N 2.88Å; G337-H524 WeakPolarHBondContact CA-CD2 3.49Å; G337-H524 VanDerWaalsContact CA-CE1 3.41Å; G337-H524 WeakPolarHBondContact CA-CE1 3.33Å; G337-H524 VanDerWaalsContact CA-CG 3.49Å; G337-H524 WeakPolarHBondContact CA-NE2 3.41Å
338	A	74.7	Confident	71	Confident	24 Å²	24	88.9 Å²	88.9	20%	0.198	47%	0.465	C	S	.	.	H	α-helix	trans	-66.2	-39.6	171.5	0	0	0	0	0	112	D336 E340 V341 E342 M458	D336-A338 PolarHBondContact O-N 3.38Å; A338-E340 PolarHBondContact O-N 3.36Å; A338-V341 PolarHBondContact O-N 3.07Å; A338-E342 WeakPolarHBondContact O-CB 3.42Å; A338-E342 VanDerWaalsContact O-CG 3.27Å; A338-E342 WeakPolarHBondContact O-CG 3.3Å; A338-E342 PolarHBondContact O-N 2.83Å; A338-M458 HydrophobicContact CB-CE 3.6Å
339	V	83.3	Confident	73.4	Confident	75 Å²	75	85.1 Å²	85.1	46%	0.455	45%	0.452	S	S	.	.	H	α-helix	trans	-64.7	-40.8	178.7	177.7	0	0	0	0	111.2	V335 D336 G337 V341 E342 V343	V335-V339 WeakPolarHBondContact O-CG2 3.36Å; D336-V339 WeakPolarHBondContact O-CB 3.3Å; D336-V339 PolarHBondContact O-N 3.33Å; G337-V339 VanDerWaalsContact C-N 3.35Å; V339-V341 PolarHBondContact O-N 2.84Å; V339-E342 PolarHBondContact O-N 3.5Å; V339-V343 HydrophobicContact CG1-CG2 4.37Å; V339-V343 WeakPolarHBondContact O-CB 3.38Å; V339-V343 WeakPolarHBondContact O-CG2 3.21Å; V339-V343 PolarHBondContact O-N 3.02Å
340	E	87.4	Confident	76.1	Confident	99 Å²	99	81.8 Å²	81.8	46%	0.463	43%	0.432	S	S	.	.	H	α-helix	trans	-61.7	-43.9	178.4	-69.1	-169.6	163.6	0	0	113	D336 A338 V343 L344 H524	D336-E340 PolarHBondContact O-N 3.09Å; A338-E340 PolarHBondContact O-N 3.36Å; E340-V343 PolarHBondContact O-N 3.42Å; E340-L344 PolarHBondContact O-N 2.89Å; E340-H524 IonicContact OE2-CD2 2.94Å; E340-H524 IonicContact OE2-NE2 3.92Å
341	V	91.3	Very high	78.6	Confident	3 Å²	3	78.4 Å²	78.4	2%	0.018	40%	0.395	C	S	.	.	H	α-helix	trans	-68.7	-43.1	179.2	-179.5	0	0	0	0	110.8	G337 A338 V339 V343 L344 M345 M456 A457 M458 H524 F525	G337-V341 WeakPolarHBondContact O-CG2 3.48Å; G337-V341 PolarHBondContact O-N 2.88Å; A338-V341 PolarHBondContact O-N 3.07Å; V339-V341 PolarHBondContact O-N 2.84Å; V341-V343 VanDerWaalsContact C-N 3.3Å; V341-V343 PolarHBondContact O-N 3.11Å; V341-L344 WeakPolarHBondContact O-CB 3.34Å; V341-L344 PolarHBondContact O-N 3.35Å; V341-L344 VanDerWaalsContact O-N 3.14Å; V341-M345 HydrophobicContact CG1-SD 4.28Å; V341-M345 WeakPolarHBondContact O-CG 3.36Å; V341-M345 PolarHBondContact O-N 2.61Å; V341-M456 HydrophobicContact CG1-CG 3.82Å; V341-M456 HydrophobicContact CG1-SD 4.15Å; V341-A457 HydrophobicContact CG1-CB 4.12Å; V341-A457 HydrophobicContact CG2-CB 4.03Å; V341-M458 HydrophobicContact CG2-CE 4.48Å; V341-H524 HydrophobicContact CG2-CB 4.1Å; V341-F525 HydrophobicContact CG2-CD2 4.46Å; V341-F525 HydrophobicContact CG2-CE2 3.97Å
342	E	92.8	Very high	80.6	Confident	101 Å²	101	71.3 Å²	71.3	47%	0.472	37%	0.371	S	S	.	.	H	α-helix	trans	-61.6	-37.3	176.4	-74.1	176.9	-177.9	0	0	112.2	A338 V339 M345 K346 H459	A338-E342 WeakPolarHBondContact O-CB 3.42Å; A338-E342 VanDerWaalsContact O-CG 3.27Å; A338-E342 WeakPolarHBondContact O-CG 3.3Å; A338-E342 PolarHBondContact O-N 2.83Å; V339-E342 PolarHBondContact O-N 3.5Å; E342-M345 PolarHBondContact O-N 3.36Å; E342-K346 WeakPolarHBondContact O-CB 3.45Å; E342-K346 PolarHBondContact O-N 3.02Å; E342-H459 IonicContact OE1-CE1 3.79Å
343	V	93.7	Very high	82.6	Confident	62 Å²	62	70.8 Å²	70.8	38%	0.376	36%	0.358	S	S	.	.	H	α-helix	trans	-63	-42	173.9	167.9	0	0	0	0	111.2	V339 E340 V341 K346 R347	V339-V343 HydrophobicContact CG1-CG2 4.37Å; V339-V343 WeakPolarHBondContact O-CB 3.38Å; V339-V343 WeakPolarHBondContact O-CG2 3.21Å; V339-V343 PolarHBondContact O-N 3.02Å; E340-V343 PolarHBondContact O-N 3.42Å; V341-V343 VanDerWaalsContact C-N 3.3Å; V341-V343 PolarHBondContact O-N 3.11Å; V343-K346 PolarHBondContact O-N 2.81Å; V343-R347 WeakPolarHBondContact O-CG 2.81Å; V343-R347 PolarHBondContact O-N 3.24Å
344	L	94.8	Very high	84.3	Confident	17 Å²	17	70.2 Å²	70.2	9%	0.089	36%	0.356	C	S	.	.	H	α-helix	trans	-64	-44.6	175.1	177.4	60	0	0	0	111.5	E340 V341 K346 R347 M348 M456 L467 L494 F525	E340-L344 PolarHBondContact O-N 2.89Å; V341-L344 WeakPolarHBondContact O-CB 3.34Å; V341-L344 PolarHBondContact O-N 3.35Å; V341-L344 VanDerWaalsContact O-N 3.14Å; L344-K346 VanDerWaalsContact C-N 3.32Å; L344-K346 PolarHBondContact O-N 2.87Å; L344-R347 WeakPolarHBondContact O-CB 3.44Å; L344-R347 PolarHBondContact O-N 3.46Å; L344-M348 HydrophobicContact CG-SD 4.34Å; L344-M348 WeakPolarHBondContact O-CG 3.46Å; L344-M348 PolarHBondContact O-N 3.42Å; L344-M456 HydrophobicContact CD2-SD 4.05Å; L344-M456 HydrophobicContact CG-SD 4.32Å; L344-L467 HydrophobicContact CD2-CD2 4.25Å; L344-L494 HydrophobicContact CD1-CD2 4.07Å; L344-L494 WeakPolarHBondContact CD1-O 3.41Å; L344-F525 HydrophobicContact CD2-CZ 4.09Å
345	M	94.6	Very high	85.6	Confident	44 Å²	44	67.3 Å²	67.3	22%	0.217	34%	0.338	C	S	.	.	H	α-helix	trans	-59.1	-43.6	176.1	-70	174.9	58.6	0	0	111.5	V341 E342 R347 M348 V349 M456 H459 V462	V341-M345 HydrophobicContact CG1-SD 4.28Å; V341-M345 WeakPolarHBondContact O-CG 3.36Å; V341-M345 PolarHBondContact O-N 2.61Å; E342-M345 PolarHBondContact O-N 3.36Å; M345-R347 PolarHBondContact O-N 2.97Å; M345-M348 WeakPolarHBondContact O-CB 3.46Å; M345-M348 PolarHBondContact O-N 3.41Å; M345-V349 PolarHBondContact O-N 3.43Å; M345-V349 VanDerWaalsContact O-N 3.13Å; M345-M456 HydrophobicContact CG-SD 3.67Å; M345-H459 HydrophobicContact CE-CB 4.11Å; M345-H459 HydrophobicContact SD-CB 3.84Å; M345-V462 HydrophobicContact CE-CB 4.46Å; M345-V462 HydrophobicContact CE-CG1 4.16Å; M345-V462 HydrophobicContact CE-CG2 3.45Å; M345-V462 VanDerWaalsContact CE-CG2 3.45Å; M345-V462 HydrophobicContact CG-CG1 4.37Å; M345-V462 HydrophobicContact SD-CG2 4.15Å
346	K	94.4	Very high	86.7	Confident	133 Å²	133	70.3 Å²	70.3	58%	0.578	35%	0.345	S	S	*	.	H	α-helix	trans	-60.5	-45.2	175.7	-178.1	174.1	170	176.5	0	111.8	E342 V343 L344 M348 V349 E350	E342-K346 WeakPolarHBondContact O-CB 3.45Å; E342-K346 PolarHBondContact O-N 3.02Å; V343-K346 PolarHBondContact O-N 2.81Å; L344-K346 VanDerWaalsContact C-N 3.32Å; L344-K346 PolarHBondContact O-N 2.87Å; K346-M348 VanDerWaalsContact C-N 3.28Å; K346-M348 PolarHBondContact O-N 3.03Å; K346-V349 PolarHBondContact O-N 2.99Å; K346-E350 WeakPolarHBondContact CE-OE1 3.42Å; K346-E350 HydrophobicContact CG-CG 4.41Å; K346-E350 IonicContact NZ-OE1 3.16Å; K346-E350 WeakPolarHBondContact O-CG 3.47Å; K346-E350 PolarHBondContact O-N 2.55Å
347	R	94.7	Very high	87.4	Confident	113 Å²	113	72.7 Å²	72.7	43%	0.426	35%	0.352	S	S	.	.	H	α-helix	trans	-60.4	-36.6	175.6	-72.7	174.9	-171.6	176.1	7.3	112.6	V343 L344 M345 L351 V493	V343-R347 WeakPolarHBondContact O-CG 2.81Å; V343-R347 PolarHBondContact O-N 3.24Å; L344-R347 WeakPolarHBondContact O-CB 3.44Å; L344-R347 PolarHBondContact O-N 3.46Å; M345-R347 PolarHBondContact O-N 2.97Å; R347-L351 WeakPolarHBondContact O-CB 3.14Å; R347-L351 VanDerWaalsContact O-CG 3.28Å; R347-L351 WeakPolarHBondContact O-CG 3.37Å; R347-L351 PolarHBondContact O-N 3.37Å; R347-V493 HydrophobicContact CB-CG1 3.97Å; R347-V493 WeakPolarHBondContact CD-O 3.41Å; R347-V493 HydrophobicContact CG-CG1 4.22Å; R347-V493 PolarHBondContact NH1-O 3.17Å
348	M	94.4	Very high	87.8	Confident	5 Å²	5	79.6 Å²	79.6	3%	0.025	38%	0.384	C	S	.	.	H	α-helix	trans	-64.2	-43.8	176.6	-71.8	167.7	57.1	0	0	111.9	L344 M345 K346 Q352 M456 D463 L467 L494	L344-M348 HydrophobicContact CG-SD 4.34Å; L344-M348 WeakPolarHBondContact O-CG 3.46Å; L344-M348 PolarHBondContact O-N 3.42Å; M345-M348 WeakPolarHBondContact O-CB 3.46Å; M345-M348 PolarHBondContact O-N 3.41Å; K346-M348 VanDerWaalsContact C-N 3.28Å; K346-M348 PolarHBondContact O-N 3.03Å; M348-Q352 WeakPolarHBondContact O-CG 3.38Å; M348-Q352 PolarHBondContact O-N 3.47Å; M348-Q352 VanDerWaalsContact O-N 3.12Å; M348-M456 HydrophobicContact CE-CE 3.92Å; M348-M456 HydrophobicContact SD-CE 3.45Å; M348-M456 WeakPolarHBondContact SD-CE 3.38Å; M348-M456 HydrophobicContact SD-SD 4.27Å; M348-D463 WeakPolarHBondContact CE-O 3.38Å; M348-L467 HydrophobicContact CE-CB 4.18Å; M348-L467 HydrophobicContact SD-CB 4.13Å; M348-L494 HydrophobicContact CB-CD2 4.35Å; M348-L494 HydrophobicContact CG-CD2 3.37Å
349	V	92.6	Very high	87.7	Confident	71 Å²	71	88 Å²	88	43%	0.43	42%	0.419	S	S	.	.	H	α-helix	trans	-65.9	-45.6	177.2	175.2	0	0	0	0	111.1	M345 K346 L351 Q352 Q353	M345-V349 PolarHBondContact O-N 3.43Å; M345-V349 VanDerWaalsContact O-N 3.13Å; K346-V349 PolarHBondContact O-N 2.99Å; V349-L351 VanDerWaalsContact C-N 3.33Å; V349-L351 PolarHBondContact O-N 2.98Å; V349-Q352 PolarHBondContact O-N 3.43Å; V349-Q353 WeakPolarHBondContact O-CG 3.39Å; V349-Q353 PolarHBondContact O-N 3.11Å; V349-Q353 VanDerWaalsContact O-N 3.08Å
350	E	92.4	Very high	87.5	Confident	77 Å²	77	86.2 Å²	86.2	36%	0.36	41%	0.41	S	S	.	.	H	α-helix	trans	-60.9	-41.2	177.9	-72.5	173.3	169	0	0	111.9	K346 Q353 Q354	K346-E350 WeakPolarHBondContact CE-OE1 3.42Å; K346-E350 HydrophobicContact CG-CG 4.41Å; K346-E350 IonicContact NZ-OE1 3.16Å; K346-E350 WeakPolarHBondContact O-CG 3.47Å; K346-E350 PolarHBondContact O-N 2.55Å; E350-Q353 PolarHBondContact O-N 3.13Å; E350-Q354 WeakPolarHBondContact O-CB 3.33Å; E350-Q354 VanDerWaalsContact O-CG 3.27Å; E350-Q354 WeakPolarHBondContact O-CG 3.49Å; E350-Q354 PolarHBondContact O-N 3.22Å
351	L	91	Very high	87.5	Confident	9 Å²	9	85.5 Å²	85.5	5%	0.047	41%	0.413	C	S	.	.	H	α-helix	trans	-64.5	-39.6	176.2	-81.3	171.8	0	0	0	112.8	R347 V349 Q353 Q354 Q355 V493 L494	R347-L351 WeakPolarHBondContact O-CB 3.14Å; R347-L351 VanDerWaalsContact O-CG 3.28Å; R347-L351 WeakPolarHBondContact O-CG 3.37Å; R347-L351 PolarHBondContact O-N 3.37Å; V349-L351 VanDerWaalsContact C-N 3.33Å; V349-L351 PolarHBondContact O-N 2.98Å; L351-Q353 VanDerWaalsContact C-N 3.35Å; L351-Q354 PolarHBondContact O-N 3.26Å; L351-Q355 WeakPolarHBondContact O-CB 3.43Å; L351-Q355 VanDerWaalsContact O-CG 3.26Å; L351-Q355 WeakPolarHBondContact O-CG 3.43Å; L351-Q355 PolarHBondContact O-N 2.89Å; L351-V493 HydrophobicContact CD1-CB 3.88Å; L351-V493 HydrophobicContact CD1-CG1 3.52Å; L351-V493 HydrophobicContact CD2-CB 4.41Å; L351-V493 HydrophobicContact CD2-CG1 4.22Å; L351-V493 HydrophobicContact CD2-CG2 4.36Å; L351-V493 HydrophobicContact CG-CB 4.48Å; L351-V493 HydrophobicContact CG-CG1 3.91Å; L351-L494 HydrophobicContact CD1-CD1 3.82Å; L351-L494 HydrophobicContact CD1-CD2 3.61Å; L351-L494 HydrophobicContact CD1-CG 3.52Å
352	Q	87.5	Confident	87.2	Confident	62 Å²	62	90.8 Å²	90.8	29%	0.29	44%	0.437	S	S	.	.	H	α-helix	trans	-63	-44	176.8	-75	172.2	-31.3	0	0	110.8	M348 V349 Q355 E356 T466	M348-Q352 WeakPolarHBondContact O-CG 3.38Å; M348-Q352 PolarHBondContact O-N 3.47Å; M348-Q352 VanDerWaalsContact O-N 3.12Å; V349-Q352 PolarHBondContact O-N 3.43Å; Q352-Q355 PolarHBondContact O-N 3.22Å; Q352-E356 PolarHBondContact O-N 3.13Å; Q352-T466 PolarHBondContact NE2-OG1 3.02Å
353	Q	87.3	Confident	87.1	Confident	101 Å²	101	93.7 Å²	93.7	47%	0.472	45%	0.451	S	S	.	.	H	α-helix	trans	-63.8	-44.1	176.3	-68.8	170.2	-3.3	0	0	111.8	V349 E350 L351 Q355 E356 E357	V349-Q353 WeakPolarHBondContact O-CG 3.39Å; V349-Q353 PolarHBondContact O-N 3.11Å; V349-Q353 VanDerWaalsContact O-N 3.08Å; E350-Q353 PolarHBondContact O-N 3.13Å; L351-Q353 VanDerWaalsContact C-N 3.35Å; Q353-Q355 VanDerWaalsContact C-N 3.32Å; Q353-Q355 PolarHBondContact O-N 3.33Å; Q353-E356 PolarHBondContact O-N 3.01Å; Q353-E357 WeakPolarHBondContact O-CG 3.47Å; Q353-E357 PolarHBondContact O-N 2.9Å; Q353-E357 VanDerWaalsContact O-N 3.15Å
354	Q	84.4	Confident	86.9	Confident	101 Å²	101	94.7 Å²	94.7	47%	0.472	45%	0.451	S	S	.	.	H	α-helix	trans	-62	-38.3	177.3	-75.7	171	1.2	0	0	112.7	E350 L351 E356 E357 E358	E350-Q354 WeakPolarHBondContact O-CB 3.33Å; E350-Q354 VanDerWaalsContact O-CG 3.27Å; E350-Q354 WeakPolarHBondContact O-CG 3.49Å; E350-Q354 PolarHBondContact O-N 3.22Å; L351-Q354 PolarHBondContact O-N 3.26Å; Q354-E356 VanDerWaalsContact C-N 3.26Å; Q354-E356 PolarHBondContact O-N 2.87Å; Q354-E357 PolarHBondContact O-N 3.4Å; Q354-E358 PolarHBondContact O-N 3.29Å
355	Q	81.1	Confident	86.6	Confident	94 Å²	94	94.8 Å²	94.8	44%	0.439	45%	0.451	S	S	.	.	H	α-helix	trans	-68.2	-25	177.9	-75.6	174.8	-8.5	0	0	113.1	L351 Q352 Q353	L351-Q355 WeakPolarHBondContact O-CB 3.43Å; L351-Q355 VanDerWaalsContact O-CG 3.26Å; L351-Q355 WeakPolarHBondContact O-CG 3.43Å; L351-Q355 PolarHBondContact O-N 2.89Å; Q352-Q355 PolarHBondContact O-N 3.22Å; Q353-Q355 VanDerWaalsContact C-N 3.32Å; Q353-Q355 PolarHBondContact O-N 3.33Å
356	E	79.5	Confident	86.4	Confident	170 Å²	170	94.9 Å²	94.9	79%	0.794	45%	0.454	S	S	*	.	H	α-helix	trans	-81.1	-29.2	174	-69.2	176.5	-177.1	0	0	112.4	Q352 Q353 Q354	Q352-E356 PolarHBondContact O-N 3.13Å; Q353-E356 PolarHBondContact O-N 3.01Å; Q354-E356 VanDerWaalsContact C-N 3.26Å; Q354-E356 PolarHBondContact O-N 2.87Å
357	E	78.1	Confident	86.2	Confident	165 Å²	165	92.8 Å²	92.8	77%	0.771	45%	0.453	S	S	*	.	H	α-helix	trans	-96.7	-32	-173.7	-68	-179.2	178.4	0	0	114.5	Q353 Q354	Q353-E357 WeakPolarHBondContact O-CG 3.47Å; Q353-E357 PolarHBondContact O-N 2.9Å; Q353-E357 VanDerWaalsContact O-N 3.15Å; Q354-E357 PolarHBondContact O-N 3.4Å
358	E	72.8	Confident	86.1	Confident	146 Å²	146	90.9 Å²	90.9	68%	0.682	45%	0.446	S	S	*	.			trans	-119.8	119.2	-174.1	-67.4	-173.5	168	0	0	112.9	Q354 C360	Q354-E358 PolarHBondContact O-N 3.29Å; E358-C360 PolarHBondContact O-N 3.39Å
359	E	73.7	Confident	85.9	Confident	199 Å²	199	90.6 Å²	90.6	93%	0.93	44%	0.444	S	S	*	.			trans	-85.3	110.1	169.7	-76.1	-172.4	167	0	0	111
360	C	79.6	Confident	85.8	Confident	38 Å²	38	89.7 Å²	89.7	26%	0.257	44%	0.435	S	S	.	.			trans	-71.6	132.1	171	-172.5	0	0	0	0	110.4	E358 E364 M365	E358-C360 PolarHBondContact O-N 3.39Å; C360-E364 VanDerWaalsContact SG-CB 3.58Å; C360-E364 VanDerWaalsContact SG-CD 3.58Å; C360-E364 VanDerWaalsContact SG-CG 3.54Å; C360-M365 HydrophobicContact CB-CG 4.08Å; C360-M365 HydrophobicContact CB-SD 3.68Å
361	T	87.1	Confident	85.6	Confident	85 Å²	85	95 Å²	95	52%	0.521	45%	0.452	S	S	.	.			trans	-65.4	151.2	177.1	67.7	0	0	0	0	111.5	E363 E364 M365	T361-E363 VanDerWaalsContact C-N 3.29Å; T361-E363 PolarHBondContact O-N 2.66Å; T361-E364 PolarHBondContact O-N 2.97Å; T361-E364 VanDerWaalsContact O-N 3.11Å; T361-E364 WeakPolarHBondContact OG1-CB 3.27Å; T361-E364 PolarHBondContact OG1-N 2.82Å; T361-M365 VanDerWaalsContact O-CG 3.28Å; T361-M365 WeakPolarHBondContact O-CG 3.47Å; T361-M365 PolarHBondContact O-N 3.01Å
362	Q	85.6	Confident	85.5	Confident	113 Å²	113	94.8 Å²	94.8	53%	0.528	45%	0.451	S	S	.	.	H	α-helix	trans	-56.9	-40	177.9	-74.3	-67.8	-33.9	0	0	112.6	E364 M365 V366 D484	Q362-E364 VanDerWaalsContact C-N 3.33Å; Q362-E364 PolarHBondContact O-N 3.1Å; Q362-M365 PolarHBondContact O-N 3.44Å; Q362-V366 WeakPolarHBondContact O-CG2 3.07Å; Q362-V366 PolarHBondContact O-N 2.99Å; Q362-D484 PolarHBondContact NE2-O 3.11Å
363	E	89.4	Confident	85.3	Confident	162 Å²	162	93.4 Å²	93.4	76%	0.757	44%	0.443	S	S	*	.	H	α-helix	trans	-63.6	-38.4	177.5	-66	-176.3	173.9	0	0	112.5	T361 V366 T367	T361-E363 VanDerWaalsContact C-N 3.29Å; T361-E363 PolarHBondContact O-N 2.66Å; E363-V366 PolarHBondContact O-N 3.32Å; E363-T367 PolarHBondContact O-N 3.32Å; E363-T367 PolarHBondContact O-OG1 2.9Å
364	E	89.3	Confident	85.2	Confident	83 Å²	83	91.1 Å²	91.1	39%	0.388	44%	0.438	S	S	.	.	H	α-helix	trans	-69.6	-39.3	176.6	-174.6	175.5	-178.8	0	0	111.6	C360 T361 Q362 V366 T367 R368	C360-E364 VanDerWaalsContact SG-CB 3.58Å; C360-E364 VanDerWaalsContact SG-CD 3.58Å; C360-E364 VanDerWaalsContact SG-CG 3.54Å; T361-E364 PolarHBondContact O-N 2.97Å; T361-E364 VanDerWaalsContact O-N 3.11Å; T361-E364 WeakPolarHBondContact OG1-CB 3.27Å; T361-E364 PolarHBondContact OG1-N 2.82Å; Q362-E364 VanDerWaalsContact C-N 3.33Å; Q362-E364 PolarHBondContact O-N 3.1Å; E364-V366 VanDerWaalsContact C-N 3.34Å; E364-V366 PolarHBondContact O-N 2.9Å; E364-T367 WeakPolarHBondContact O-CB 3.28Å; E364-T367 PolarHBondContact O-N 2.67Å; E364-T367 VanDerWaalsContact O-N 3.09Å; E364-R368 HydrophobicContact CG-CG 4.44Å; E364-R368 WeakPolarHBondContact O-CG 3.2Å; E364-R368 PolarHBondContact O-N 3.24Å; E364-R368 IonicContact OE1-CZ 3.13Å; E364-R368 IonicContact OE1-NE 3.56Å; E364-R368 PolarHBondContact OE1-NE 3.22Å; E364-R368 IonicContact OE1-NH2 3.22Å; E364-R368 PolarHBondContact OE1-NH2 3.47Å
365	M	89.3	Confident	85.2	Confident	19 Å²	19	89.2 Å²	89.2	9%	0.094	43%	0.429	C	S	.	.	H	α-helix	trans	-59.8	-43.7	174.8	-64.2	-70.3	-91.4	0	0	111.7	C360 T361 Q362 T367 R368 F369 Y486 D487	C360-M365 HydrophobicContact CB-CG 4.08Å; C360-M365 HydrophobicContact CB-SD 3.68Å; T361-M365 VanDerWaalsContact O-CG 3.28Å; T361-M365 WeakPolarHBondContact O-CG 3.47Å; T361-M365 PolarHBondContact O-N 3.01Å; Q362-M365 PolarHBondContact O-N 3.44Å; M365-T367 VanDerWaalsContact C-N 3.35Å; M365-T367 PolarHBondContact O-N 3.17Å; M365-R368 PolarHBondContact O-N 2.75Å; M365-F369 PolarHBondContact O-N 3.34Å; M365-Y486 VanDerWaalsContact CE-O 3.24Å; M365-Y486 WeakPolarHBondContact CE-O 3.44Å; M365-D487 VanDerWaalsContact CE-CA 3.5Å; M365-D487 HydrophobicContact CE-CB 3.91Å; M365-D487 VanDerWaalsContact CE-N 3.25Å; M365-D487 HydrophobicContact SD-CB 3.81Å
366	V	90.3	Very high	85.1	Confident	46 Å²	46	88.1 Å²	88.1	28%	0.279	43%	0.432	S	S	.	.	H	α-helix	trans	-60.3	-46	172.5	176.1	0	0	0	0	110.7	Q362 E363 E364 R368 F369 E370 R482	Q362-V366 WeakPolarHBondContact O-CG2 3.07Å; Q362-V366 PolarHBondContact O-N 2.99Å; E363-V366 PolarHBondContact O-N 3.32Å; E364-V366 VanDerWaalsContact C-N 3.34Å; E364-V366 PolarHBondContact O-N 2.9Å; V366-R368 VanDerWaalsContact C-N 3.34Å; V366-R368 PolarHBondContact O-N 3.27Å; V366-F369 WeakPolarHBondContact O-CB 3.42Å; V366-F369 PolarHBondContact O-N 3.04Å; V366-E370 HydrophobicContact CG1-CG 4.3Å; V366-E370 WeakPolarHBondContact O-CG 3.24Å; V366-E370 PolarHBondContact O-N 2.91Å; V366-R482 VanDerWaalsContact CG2-NH1 3.29Å
367	T	90.3	Very high	85.2	Confident	89 Å²	89	80.4 Å²	80.4	55%	0.546	40%	0.396	S	S	.	.	H	α-helix	trans	-61.6	-40.8	179.8	-57.8	0	0	0	0	112.2	E363 E364 M365 E370 R371	E363-T367 PolarHBondContact O-N 3.32Å; E363-T367 PolarHBondContact O-OG1 2.9Å; E364-T367 WeakPolarHBondContact O-CB 3.28Å; E364-T367 PolarHBondContact O-N 2.67Å; E364-T367 VanDerWaalsContact O-N 3.09Å; M365-T367 VanDerWaalsContact C-N 3.35Å; M365-T367 PolarHBondContact O-N 3.17Å; T367-E370 PolarHBondContact O-N 2.9Å; T367-R371 WeakPolarHBondContact O-CB 3.39Å; T367-R371 PolarHBondContact O-N 2.85Å
368	R	91.7	Very high	85.2	Confident	73 Å²	73	76.4 Å²	76.4	28%	0.275	39%	0.385	S	S	.	.	H	α-helix	trans	-66.7	-41.3	177	-69.6	178.2	-175.7	-168.5	4.7	111.7	E364 M365 V366 R371 Q372 D487	E364-R368 HydrophobicContact CG-CG 4.44Å; E364-R368 WeakPolarHBondContact O-CG 3.2Å; E364-R368 PolarHBondContact O-N 3.24Å; E364-R368 IonicContact OE1-CZ 3.13Å; E364-R368 IonicContact OE1-NE 3.56Å; E364-R368 PolarHBondContact OE1-NE 3.22Å; E364-R368 IonicContact OE1-NH2 3.22Å; E364-R368 PolarHBondContact OE1-NH2 3.47Å; M365-R368 PolarHBondContact O-N 2.75Å; V366-R368 VanDerWaalsContact C-N 3.34Å; V366-R368 PolarHBondContact O-N 3.27Å; R368-R371 PolarHBondContact O-N 3.34Å; R368-Q372 PolarHBondContact O-N 3.14Å; R368-D487 WeakPolarHBondContact CD-OD1 3.5Å; R368-D487 IonicContact CZ-OD1 3.21Å; R368-D487 IonicContact NE-OD1 2.65Å; R368-D487 IonicContact NH1-OD1 3.36Å; R368-D487 PolarHBondContact NH1-OD1 3.28Å; R368-D487 IonicContact NH1-OD2 2.93Å; R368-D487 PolarHBondContact NH1-OD2 3.02Å
369	F	91.6	Very high	85.3	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-58.7	-48.8	171.6	171.8	-97.6	0	0	0	111.6	M365 V366 R371 Q372 R373 T414 C477 R482 Y488	M365-F369 PolarHBondContact O-N 3.34Å; V366-F369 WeakPolarHBondContact O-CB 3.42Å; V366-F369 PolarHBondContact O-N 3.04Å; F369-R371 VanDerWaalsContact C-N 3.3Å; F369-R371 PolarHBondContact O-N 3.06Å; F369-Q372 PolarHBondContact O-N 3.09Å; F369-Q372 VanDerWaalsContact O-N 3.15Å; F369-R373 HydrophobicContact CE1-CB 4.48Å; F369-R373 VanDerWaalsContact O-CB 3.29Å; F369-R373 WeakPolarHBondContact O-CB 3.21Å; F369-R373 PolarHBondContact O-N 3.13Å; F369-T414 HydrophobicContact CD1-CG2 4.35Å; F369-T414 HydrophobicContact CE1-CG2 3.42Å; F369-T414 VanDerWaalsContact CE1-CG2 3.42Å; F369-T414 HydrophobicContact CZ-CG2 3.63Å; F369-C477 HydrophobicContact CE2-CB 4.11Å; F369-R482 HydrophobicContact CB-CG 4.16Å; F369-R482 HydrophobicContact CD1-CB 4.32Å; F369-R482 HydrophobicContact CD1-CG 4.12Å; F369-R482 HydrophobicContact CD2-CB 3.91Å; F369-R482 HydrophobicContact CD2-CG 3.65Å; F369-R482 HydrophobicContact CE1-CB 4.15Å; F369-R482 HydrophobicContact CE1-CG 4.46Å; F369-R482 HydrophobicContact CE2-CB 3.69Å; F369-R482 HydrophobicContact CE2-CG 4Å; F369-R482 HydrophobicContact CG-CB 4.2Å; F369-R482 HydrophobicContact CG-CG 3.69Å; F369-R482 HydrophobicContact CZ-CB 3.82Å; F369-R482 HydrophobicContact CZ-CG 4.39Å; F369-Y488 HydrophobicContact CB-CD2 3.77Å; F369-Y488 HydrophobicContact CB-CE2 4.21Å; F369-Y488 HydrophobicContact CB-CG 4.11Å; F369-Y488 HydrophobicContact CD2-CD1 4.05Å; F369-Y488 AromaticContact CD2-CD2 3.88Å; F369-Y488 HydrophobicContact CD2-CD2 3.88Å; F369-Y488 AromaticContact CD2-CE1 3.82Å; F369-Y488 HydrophobicContact CD2-CE1 3.82Å; F369-Y488 AromaticContact CD2-CE2 3.62Å; F369-Y488 HydrophobicContact CD2-CE2 3.62Å; F369-Y488 HydrophobicContact CD2-CG 4.08Å; F369-Y488 AromaticContact CD2-CZ 3.57Å; F369-Y488 HydrophobicContact CE2-CE1 4.29Å; F369-Y488 HydrophobicContact CE2-CE2 4.48Å; F369-Y488 HydrophobicContact CG-CD2 4.32Å; F369-Y488 HydrophobicContact CG-CE2 4.34Å
370	E	89.1	Confident	84.6	Confident	52 Å²	52	65.4 Å²	65.4	24%	0.243	35%	0.351	C	S	.	.	H	α-helix	trans	-61.8	-38.6	-179.3	-73.2	-58.8	153	0	0	112.5	V366 T367 R373 S374	V366-E370 HydrophobicContact CG1-CG 4.3Å; V366-E370 WeakPolarHBondContact O-CG 3.24Å; V366-E370 PolarHBondContact O-N 2.91Å; T367-E370 PolarHBondContact O-N 2.9Å; E370-R373 IonicContact OE1-CZ 2.71Å; E370-R373 IonicContact OE1-NE 3.46Å; E370-R373 IonicContact OE1-NH1 3.23Å; E370-R373 IonicContact OE1-NH2 3.06Å; E370-R373 PolarHBondContact OE1-NH2 3.28Å; E370-R373 IonicContact OE2-CZ 3.86Å; E370-R373 IonicContact OE2-NE 3.6Å; E370-R373 PolarHBondContact OE2-NE 2.73Å; E370-R373 IonicContact OE2-NH2 3.4Å; E370-R373 PolarHBondContact OE2-NH2 2.88Å; E370-S374 VanDerWaalsContact O-CB 3.3Å; E370-S374 WeakPolarHBondContact O-CB 3.43Å; E370-S374 PolarHBondContact O-N 3.18Å; E370-S374 PolarHBondContact O-OG 3.28Å
371	R	88.8	Confident	83.8	Confident	188 Å²	188	65.5 Å²	65.5	71%	0.709	35%	0.35	S	S	*	.	H	α-helix	trans	-62.8	-47.7	172.6	-179.9	-177.7	-79.4	179.3	-3	111.5	T367 R368 F369 R373 S374 E375	T367-R371 WeakPolarHBondContact O-CB 3.39Å; T367-R371 PolarHBondContact O-N 2.85Å; R368-R371 PolarHBondContact O-N 3.34Å; F369-R371 VanDerWaalsContact C-N 3.3Å; F369-R371 PolarHBondContact O-N 3.06Å; R371-R373 VanDerWaalsContact C-N 3.35Å; R371-S374 PolarHBondContact O-N 3.17Å; R371-E375 PolarHBondContact O-N 3.5Å
372	Q	89.4	Confident	82.5	Confident	5 Å²	5	68.4 Å²	68.4	2%	0.023	37%	0.367	C	S	.	.	H	α-helix	trans	-62.9	-43.7	-179.7	-172.9	63.5	14.4	0	0	111.6	R368 F369 S374 E375 Y474 N492	R368-Q372 PolarHBondContact O-N 3.14Å; F369-Q372 PolarHBondContact O-N 3.09Å; F369-Q372 VanDerWaalsContact O-N 3.15Å; Q372-S374 VanDerWaalsContact C-N 3.31Å; Q372-S374 PolarHBondContact O-N 3.26Å; Q372-E375 WeakPolarHBondContact O-CB 3.36Å; Q372-E375 PolarHBondContact O-N 3.14Å; Q372-Y474 HydrophobicContact CG-CD2 4.27Å; Q372-Y474 HydrophobicContact CG-CE2 4.49Å; Q372-Y474 VanDerWaalsContact NE2-CE2 3.32Å; Q372-N492 VanDerWaalsContact OE1-CG 3.24Å; Q372-N492 PolarHBondContact OE1-ND2 3.27Å; Q372-N492 PolarHBondContact OE1-OD1 3.16Å; Q372-N492 VanDerWaalsContact OE1-OD1 3.12Å
373	R	84	Confident	81.5	Confident	32 Å²	32	68 Å²	68	12%	0.121	36%	0.361	C	S	.	.	H	α-helix	trans	-62.9	-36.2	178.7	-173.8	-178.6	73.4	149	9	112.7	F369 E370 R371 E375 F404 A405 T414	F369-R373 HydrophobicContact CE1-CB 4.48Å; F369-R373 VanDerWaalsContact O-CB 3.29Å; F369-R373 WeakPolarHBondContact O-CB 3.21Å; F369-R373 PolarHBondContact O-N 3.13Å; E370-R373 IonicContact OE1-CZ 2.71Å; E370-R373 IonicContact OE1-NE 3.46Å; E370-R373 IonicContact OE1-NH1 3.23Å; E370-R373 IonicContact OE1-NH2 3.06Å; E370-R373 PolarHBondContact OE1-NH2 3.28Å; E370-R373 IonicContact OE2-CZ 3.86Å; E370-R373 IonicContact OE2-NE 3.6Å; E370-R373 PolarHBondContact OE2-NE 2.73Å; E370-R373 IonicContact OE2-NH2 3.4Å; E370-R373 PolarHBondContact OE2-NH2 2.88Å; R371-R373 VanDerWaalsContact C-N 3.35Å; R373-E375 VanDerWaalsContact C-N 3.3Å; R373-E375 PolarHBondContact O-N 3.43Å; R373-F404 HydrophobicContact CG-CD1 4.5Å; R373-A405 HydrophobicContact CG-CB 4.09Å; R373-T414 PolarHBondContact NH1-OG1 2.93Å
374	S	83.3	Confident	80.2	Confident	53 Å²	53	63.6 Å²	63.6	37%	0.371	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	0.3	-177.1	-54.6	0	0	0	0	113.9	E370 R371 Q372 S376	E370-S374 VanDerWaalsContact O-CB 3.3Å; E370-S374 WeakPolarHBondContact O-CB 3.43Å; E370-S374 PolarHBondContact O-N 3.18Å; E370-S374 PolarHBondContact O-OG 3.28Å; R371-S374 PolarHBondContact O-N 3.17Å; Q372-S374 VanDerWaalsContact C-N 3.31Å; Q372-S374 PolarHBondContact O-N 3.26Å; S374-S376 PolarHBondContact O-N 3.48Å
375	E	84.4	Confident	79.4	Confident	61 Å²	61	64.2 Å²	64.2	29%	0.285	38%	0.378	S	S	.	.			trans	-70.8	120.3	-179.7	-171.3	-176.8	171.8	0	0	111.2	R371 Q372 R373 I377 K500	R371-E375 PolarHBondContact O-N 3.5Å; Q372-E375 WeakPolarHBondContact O-CB 3.36Å; Q372-E375 PolarHBondContact O-N 3.14Å; R373-E375 VanDerWaalsContact C-N 3.3Å; R373-E375 PolarHBondContact O-N 3.43Å; E375-I377 HydrophobicContact CG-CG1 4.16Å; E375-I377 PolarHBondContact O-N 3.29Å; E375-K500 IonicContact OE1-NZ 3.55Å; E375-K500 PolarHBondContact OE1-NZ 3.48Å; E375-K500 IonicContact OE2-NZ 3.64Å; E375-K500 PolarHBondContact OE2-NZ 3.03Å
376	S	79.6	Confident	78.9	Confident	72 Å²	72	64.6 Å²	64.6	50%	0.503	38%	0.382	S	S	.	.			trans	-82.8	111.7	176.8	-174.8	0	0	0	0	109.6	S374	S374-S376 PolarHBondContact O-N 3.48Å
377	I	81.9	Confident	78.5	Confident	7 Å²	7	65.7 Å²	65.7	4%	0.036	39%	0.39	C	S	.	.			trans	-110.2	120.2	173.3	-56.2	-170.1	0	0	0	108.3	E375 T379 Y474 K500 V501 K504	E375-I377 HydrophobicContact CG-CG1 4.16Å; E375-I377 PolarHBondContact O-N 3.29Å; I377-T379 PolarHBondContact O-N 3.23Å; I377-Y474 WeakPolarHBondContact CD1-OH 3.47Å; I377-K500 HydrophobicContact CD1-CB 3.54Å; I377-K500 HydrophobicContact CD1-CD 4.43Å; I377-V501 HydrophobicContact CG2-CB 4.16Å; I377-V501 HydrophobicContact CG2-CG2 3.44Å; I377-V501 VanDerWaalsContact CG2-CG2 3.44Å; I377-K504 HydrophobicContact CB-CD 3.82Å; I377-K504 HydrophobicContact CG2-CD 4.38Å
378	P	78.6	Confident	78.3	Confident	81 Å²	81	69.7 Å²	69.7	53%	0.526	40%	0.402	S	S	.	.			trans	-70.9	122.1	-177.9	27.9	-32.7	0	0	0	110.4
379	T	74.2	Confident	77.9	Confident	22 Å²	22	72 Å²	72	14%	0.135	42%	0.419	C	S	.	.			trans	-106.8	-15	175.3	47.4	0	0	0	0	113	I377 V381 K504 Q512	I377-T379 PolarHBondContact O-N 3.23Å; T379-V381 PolarHBondContact O-N 2.92Å; T379-K504 HydrophobicContact CG2-CB 4.21Å; T379-K504 HydrophobicContact CG2-CD 3.97Å; T379-K504 HydrophobicContact CG2-CG 3.86Å; T379-Q512 PolarHBondContact O-OE1 3.27Å
380	A	58.6	Low	77.9	Confident	93 Å²	93	72.3 Å²	72.3	77%	0.769	42%	0.422	S	S	*	.			trans	-64.8	99.8	-166.4	0	0	0	0	0	114.1
381	V	63.7	Low	77.9	Confident	39 Å²	39	72.6 Å²	72.6	24%	0.236	42%	0.424	C	S	.	.			trans	-120	120.1	158.7	-178.2	0	0	0	0	107.6	T379 R383 Q512 T514 I517	T379-V381 PolarHBondContact O-N 2.92Å; V381-R383 PolarHBondContact O-N 2.63Å; V381-Q512 WeakPolarHBondContact O-CG 3.19Å; V381-T514 HydrophobicContact CG1-CG2 4.24Å; V381-I517 HydrophobicContact CG2-CD1 4.3Å
382	V	58.9	Low	78.1	Confident	146 Å²	146	65.2 Å²	65.2	89%	0.885	41%	0.407	S	S	*	.			trans	-74.6	108.7	175.5	-175.8	0	0	0	0	108.5
383	R	65.8	Low	78.4	Confident	106 Å²	106	65.2 Å²	65.2	40%	0.4	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-82.8	159.8	163.8	-83.4	-146.9	-174.7	-154.9	3.2	110.5	W294 V381 E511 T513	W294-R383 VanDerWaalsContact CZ3-CZ 3.43Å; V381-R383 PolarHBondContact O-N 2.63Å; R383-E511 WeakPolarHBondContact CD-O 3.24Å; R383-E511 WeakPolarHBondContact CG-O 3.21Å; R383-E511 PolarHBondContact NE-O 3Å; R383-T513 PolarHBondContact NH2-O 2.98Å
384	G	62.4	Low	78.8	Confident	69 Å²	69	64.3 Å²	64.3	71%	0.711	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-58.9	156.9	172.4	0	0	0	0	0	112.1
385	A	72.2	Confident	79.3	Confident	95 Å²	95	65.5 Å²	65.5	79%	0.785	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-56.9	135.9	177.7	0	0	0	0	0	110.4
386	P	78.6	Confident	79.7	Confident	27 Å²	27	66.1 Å²	66.1	18%	0.175	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-64.7	162	173.9	32.1	-39.4	0	0	0	111	H205 E388 L391	H205-P386 HydrophobicContact CB-CB 3.84Å; H205-P386 HydrophobicContact CB-CG 4.48Å; P386-E388 PolarHBondContact O-N 3.29Å; P386-L391 HydrophobicContact CG-CD1 3.89Å; P386-L391 HydrophobicContact CG-CD2 3.49Å; P386-L391 VanDerWaalsContact CG-CD2 3.49Å; P386-L391 HydrophobicContact CG-CG 3.61Å
387	P	82.1	Confident	80.3	Confident	69 Å²	69	64.6 Å²	64.6	45%	0.448	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-56	139.9	174.6	-22.4	32.7	0	0	0	111.6	L389 V390 L391	P387-L389 PolarHBondContact O-N 3.29Å; P387-V390 HydrophobicContact CB-CG2 4.2Å; P387-V390 HydrophobicContact CG-CG2 4.26Å; P387-V390 WeakPolarHBondContact O-CB 3.46Å; P387-V390 PolarHBondContact O-N 2.98Å; P387-L391 PolarHBondContact O-N 3.48Å
388	E	84.8	Confident	80.7	Confident	173 Å²	173	70.5 Å²	70.5	81%	0.808	42%	0.423	S	S	*	.	H	α-helix	trans	-55.5	-36.4	-179.2	-68.6	-175.3	168.8	0	0	112.7	P386 V390 L391 G392	P386-E388 PolarHBondContact O-N 3.29Å; E388-V390 VanDerWaalsContact C-N 3.28Å; E388-V390 PolarHBondContact O-N 3.45Å; E388-L391 PolarHBondContact O-N 3.23Å; E388-L391 VanDerWaalsContact O-N 3.17Å; E388-G392 PolarHBondContact O-N 3.43Å
389	L	84.3	Confident	81.4	Confident	121 Å²	121	67.9 Å²	67.9	63%	0.634	40%	0.404	S	S	*	.	H	α-helix	trans	-58.9	-38.5	175.4	-70.2	170.8	0	0	0	112.3	P387 G392 L393	P387-L389 PolarHBondContact O-N 3.29Å; L389-G392 PolarHBondContact O-N 2.77Å; L389-L393 WeakPolarHBondContact O-CG 3.36Å
390	V	90.6	Very high	82.2	Confident	8 Å²	8	69.2 Å²	69.2	5%	0.048	41%	0.406	C	S	.	.	H	α-helix	trans	-70.5	-38	178	179.1	0	0	0	0	110.8	A202 V210 P387 E388 L393	A202-V390 HydrophobicContact CB-CG1 4.09Å; V210-V390 HydrophobicContact CG2-CG1 4.39Å; P387-V390 HydrophobicContact CB-CG2 4.2Å; P387-V390 HydrophobicContact CG-CG2 4.26Å; P387-V390 WeakPolarHBondContact O-CB 3.46Å; P387-V390 PolarHBondContact O-N 2.98Å; E388-V390 VanDerWaalsContact C-N 3.28Å; E388-V390 PolarHBondContact O-N 3.45Å; V390-L393 PolarHBondContact O-N 3.09Å
391	L	90.2	Very high	83.8	Confident	57 Å²	57	65.3 Å²	65.3	30%	0.298	37%	0.372	S	S	.	.	H	α-helix	trans	-67.1	-36.9	175.7	-68.2	174.2	0	0	0	112.1	P386 P387 E388 L393 V394 P397	P386-L391 HydrophobicContact CG-CD1 3.89Å; P386-L391 HydrophobicContact CG-CD2 3.49Å; P386-L391 VanDerWaalsContact CG-CD2 3.49Å; P386-L391 HydrophobicContact CG-CG 3.61Å; P387-L391 PolarHBondContact O-N 3.48Å; E388-L391 PolarHBondContact O-N 3.23Å; E388-L391 VanDerWaalsContact O-N 3.17Å; L391-L393 PolarHBondContact O-N 3.13Å; L391-L393 VanDerWaalsContact O-N 3.16Å; L391-V394 PolarHBondContact O-N 3.31Å; L391-P397 HydrophobicContact CD2-CB 3.88Å
392	G	93.1	Very high	85	Confident	34 Å²	34	68.1 Å²	68.1	35%	0.351	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-13.1	178.8	0	0	0	0	0	114.5	G229 I230 E388 L389	G229-G392 CarbonylContact C-O 3.46Å; G229-G392 WeakPolarHBondContact CA-O 3.46Å; I230-G392 PolarHBondContact N-O 3.07Å; E388-G392 PolarHBondContact O-N 3.43Å; L389-G392 PolarHBondContact O-N 2.77Å
393	L	94.8	Very high	86.2	Confident	5 Å²	5	63.6 Å²	63.6	3%	0.026	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-1.9	-179	-68.6	165.4	0	0	0	113.9	V198 A202 V210 L389 V390 L391	V198-L393 HydrophobicContact CG1-CD1 3.68Å; V198-L393 HydrophobicContact CG1-CD2 4.11Å; V198-L393 HydrophobicContact CG1-CG 4.4Å; A202-L393 HydrophobicContact CB-CB 3.94Å; V210-L393 HydrophobicContact CG1-CD1 3.92Å; L389-L393 WeakPolarHBondContact O-CG 3.36Å; V390-L393 PolarHBondContact O-N 3.09Å; L391-L393 PolarHBondContact O-N 3.13Å; L391-L393 VanDerWaalsContact O-N 3.16Å
394	V	93.6	Very high	86.9	Confident	12 Å²	12	58.7 Å²	58.7	7%	0.073	34%	0.335	C	S	.	.	S	Bend	trans	-137.5	153.8	-178.9	-64.4	0	0	0	0	112	A202 R203 L391 P397	A202-V394 HydrophobicContact CB-CG1 3.49Å; A202-V394 VanDerWaalsContact CB-CG1 3.49Å; R203-V394 HydrophobicContact CG-CG1 4.37Å; L391-V394 PolarHBondContact O-N 3.31Å; V394-P397 HydrophobicContact CG2-CB 4.23Å
395	E	92.6	Very high	87.4	Confident	79 Å²	79	55.9 Å²	55.9	37%	0.369	31%	0.305	S	S	.	.	S	Bend	trans	-96.1	151.3	167.7	-66.9	-179.9	-172.7	0	0	110.3	R203 I230 H241	R203-E395 PolarHBondContact NH1-O 3.09Å; I230-E395 HydrophobicContact CD1-CG 4.42Å; I230-E395 HydrophobicContact CG2-CG 4.29Å; H241-E395 IonicContact CE1-OE2 2.77Å; H241-E395 PolarHBondContact CE1-OE2 2.98Å; H241-E395 VanDerWaalsContact CE1-OE2 3.28Å; H241-E395 IonicContact CG-OE2 2.72Å; H241-E395 IonicContact ND1-OE2 3.15Å; H241-E395 PolarHBondContact ND1-OE2 2.83Å
396	E	93.6	Very high	87.1	Confident	73 Å²	73	53.3 Å²	53.3	34%	0.341	28%	0.28	S	S	.	.			trans	48.2	61.5	-177.9	-63	166.9	-107.3	0	0	112	R203 K245 E398 F399	R203-E396 PolarHBondContact NH1-O 2.97Å; R203-E396 PolarHBondContact NH2-O 2.9Å; K245-E396 IonicContact NZ-OE1 3.01Å; K245-E396 PolarHBondContact NZ-OE1 3.38Å; K245-E396 IonicContact NZ-OE2 3.22Å; K245-E396 PolarHBondContact NZ-OE2 2.71Å; E396-E398 WeakPolarHBondContact CA-OE1 3.11Å; E396-E398 WeakPolarHBondContact CB-OE1 3.47Å; E396-E398 PolarHBondContact O-N 3.04Å; E396-F399 HydrophobicContact CB-CB 4.33Å; E396-F399 WeakPolarHBondContact O-CB 3.47Å; E396-F399 PolarHBondContact O-N 3.26Å; E396-F399 VanDerWaalsContact O-N 3.12Å
397	P	90.8	Very high	86.4	Confident	40 Å²	40	61.8 Å²	61.8	26%	0.26	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-25.7	-179.8	26.1	-35.1	0	0	0	112	L391 V394 F399 R400	L391-P397 HydrophobicContact CD2-CB 3.88Å; V394-P397 HydrophobicContact CG2-CB 4.23Å; P397-F399 VanDerWaalsContact C-N 3.29Å; P397-F399 PolarHBondContact O-N 3.23Å; P397-R400 PolarHBondContact O-NE 3.25Å; P397-R400 PolarHBondContact O-NH2 2.87Å
398	E	90.4	Very high	85.2	Confident	131 Å²	131	62.6 Å²	62.6	61%	0.612	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-15.9	177.2	68.2	-69.5	159.7	0	0	114.6	E396 R400	E396-E398 WeakPolarHBondContact CA-OE1 3.11Å; E396-E398 WeakPolarHBondContact CB-OE1 3.47Å; E396-E398 PolarHBondContact O-N 3.04Å; E398-R400 WeakPolarHBondContact O-CG 3.21Å; E398-R400 PolarHBondContact O-N 2.74Å; E398-R400 VanDerWaalsContact O-N 3.14Å
399	F	93.8	Very high	84	Confident	27 Å²	27	61.2 Å²	61.2	12%	0.118	32%	0.323	C	S	.	.			trans	-68.5	111.9	176.8	-173.7	-72.5	0	0	0	110.1	R203 K245 L246 H249 R250 E396 P397	R203-F399 PolarHBondContact NH2-O 3.44Å; K245-F399 HydrophobicContact CB-CD1 4.06Å; K245-F399 HydrophobicContact CB-CE1 4.42Å; K245-F399 HydrophobicContact CB-CG 4.45Å; K245-F399 HydrophobicContact CD-CB 4.48Å; K245-F399 HydrophobicContact CD-CD1 4.4Å; K245-F399 HydrophobicContact CD-CD2 4.02Å; K245-F399 HydrophobicContact CD-CE2 4.32Å; K245-F399 HydrophobicContact CD-CG 4.08Å; K245-F399 HydrophobicContact CG-CD1 4.26Å; K245-F399 HydrophobicContact CG-CE1 4.32Å; K245-F399 HydrophobicContact CG-CG 4.43Å; K245-F399 WeakPolarHBondContact O-CE1 3.25Å; L246-F399 HydrophobicContact CD2-CE1 4.28Å; L246-F399 HydrophobicContact CD2-CE2 4.38Å; L246-F399 HydrophobicContact CD2-CZ 3.61Å; H249-F399 HydrophobicContact CB-CD1 3.96Å; H249-F399 HydrophobicContact CB-CE1 3.85Å; H249-F399 AromaticContact CD2-CD1 3.93Å; H249-F399 PolarHBondContact CD2-O 3.41Å; H249-F399 PolarHBondContact NE2-O 3.13Å; R250-F399 HydrophobicContact CB-CE1 4.36Å; R250-F399 HydrophobicContact CB-CZ 4.39Å; R250-F399 HydrophobicContact CG-CE1 4.31Å; R250-F399 HydrophobicContact CG-CZ 4.48Å; R250-F399 VanDerWaalsContact NE-CE1 3.32Å; E396-F399 HydrophobicContact CB-CB 4.33Å; E396-F399 WeakPolarHBondContact O-CB 3.47Å; E396-F399 PolarHBondContact O-N 3.26Å; E396-F399 VanDerWaalsContact O-N 3.12Å; P397-F399 VanDerWaalsContact C-N 3.29Å; P397-F399 PolarHBondContact O-N 3.23Å
400	R	91.8	Very high	82.8	Confident	49 Å²	49	64.8 Å²	64.8	19%	0.185	34%	0.337	C	S	.	.			trans	-124.3	173.7	-177.5	-61.1	-58.6	173	-164.7	-6.5	111.8	R203 H205 R250 P397 E398 E402	R203-R400 PolarHBondContact O-NH1 2.89Å; H205-R400 PolarHBondContact CE1-NH2 3.28Å; H205-R400 PolarHBondContact NE2-NH2 3.46Å; R250-R400 PolarHBondContact NE-O 2.8Å; P397-R400 PolarHBondContact O-NE 3.25Å; P397-R400 PolarHBondContact O-NH2 2.87Å; E398-R400 WeakPolarHBondContact O-CG 3.21Å; E398-R400 PolarHBondContact O-N 2.74Å; E398-R400 VanDerWaalsContact O-N 3.14Å; R400-E402 PolarHBondContact O-N 2.93Å
401	Y	91.9	Very high	81.7	Confident	11 Å²	11	66.9 Å²	66.9	4%	0.043	35%	0.351	C	S	.	.			trans	-56.7	136.4	166.6	178.1	-85.5	0	0	0	109.6	H249 W252 D403 L478 Y479 C508 H509	H249-Y401 PolarHBondContact ND1-N 3.34Å; H249-Y401 WeakPolarHBondContact O-CA 3.25Å; H249-Y401 WeakPolarHBondContact O-CD2 3.49Å; W252-Y401 AromaticContact CH2-CD2 3.86Å; W252-Y401 HydrophobicContact CH2-CD2 3.86Å; W252-Y401 AromaticContact CH2-CE2 3.49Å; W252-Y401 HydrophobicContact CH2-CE2 3.49Å; W252-Y401 VanDerWaalsContact CH2-CE2 3.49Å; W252-Y401 HydrophobicContact CZ3-CD2 4.3Å; W252-Y401 AromaticContact CZ3-CE2 3.81Å; W252-Y401 HydrophobicContact CZ3-CE2 3.81Å; Y401-D403 WeakPolarHBondContact CE1-OD1 3.49Å; Y401-L478 PolarHBondContact OH-O 2.96Å; Y401-Y479 HydrophobicContact CE2-CE1 4.43Å; Y401-C508 WeakPolarHBondContact CB-O 3.17Å; Y401-C508 HydrophobicContact CD1-CB 3.53Å; Y401-C508 HydrophobicContact CD2-CB 3.78Å; Y401-C508 HydrophobicContact CE1-CB 3.88Å; Y401-C508 HydrophobicContact CE2-CB 4.13Å; Y401-C508 WeakPolarHBondContact CE2-SG 3.37Å; Y401-C508 HydrophobicContact CG-CB 3.49Å; Y401-C508 VanDerWaalsContact CG-CB 3.49Å; Y401-H509 AromaticContact CD1-NE2 3.64Å; Y401-H509 PolarHBondContact O-CE1 2.74Å
402	E	88.6	Confident	81.1	Confident	98 Å²	98	66 Å²	66	46%	0.458	35%	0.349	S	S	.	.			trans	-123.7	144.9	165.3	-71.6	166.3	-158.1	0	0	106.2	R250 W252 R400 F404	R250-E402 IonicContact CZ-OE1 2.58Å; R250-E402 IonicContact CZ-OE2 2.99Å; R250-E402 IonicContact NH1-OE1 3.34Å; R250-E402 PolarHBondContact NH1-OE1 3.28Å; R250-E402 IonicContact NH1-OE2 2.69Å; R250-E402 PolarHBondContact NH1-OE2 3.49Å; R250-E402 IonicContact NH2-OE1 3.02Å; W252-E402 VanDerWaalsContact CH2-O 3.31Å; W252-E402 WeakPolarHBondContact CH2-O 3.5Å; W252-E402 WeakPolarHBondContact CZ2-O 3.14Å; R400-E402 PolarHBondContact O-N 2.93Å; E402-F404 PolarHBondContact O-N 2.65Å
403	D	85.1	Confident	80.7	Confident	51 Å²	51	68.8 Å²	68.8	27%	0.273	36%	0.363	S	S	.	.			trans	-51.5	131.2	179.3	-76.1	-7.1	0	0	0	109.3	Y401 A405 P406 K504	Y401-D403 WeakPolarHBondContact CE1-OD1 3.49Å; D403-A405 PolarHBondContact O-N 3.03Å; D403-P406 VanDerWaalsContact O-CD 3.22Å; D403-P406 WeakPolarHBondContact O-CD 3.17Å; D403-K504 WeakPolarHBondContact OD1-CE 3.33Å; D403-K504 IonicContact OD1-NZ 3.75Å; D403-K504 PolarHBondContact OD1-NZ 3.11Å; D403-K504 IonicContact OD2-NZ 3.78Å; D403-K504 PolarHBondContact OD2-NZ 3.23Å
404	F	79.3	Confident	80.5	Confident	4 Å²	4	70.1 Å²	70.1	2%	0.018	37%	0.371	C	S	.	.	S	Bend	trans	-51.5	-36.9	-178.1	-176.7	-83.1	0	0	0	112	W252 R373 E402 P406 P412 Y479	W252-F404 HydrophobicContact CB-CD2 4.07Å; W252-F404 HydrophobicContact CB-CE2 3.5Å; W252-F404 VanDerWaalsContact CB-CE2 3.5Å; W252-F404 AromaticContact CD1-CD2 3.95Å; W252-F404 AromaticContact CD1-CE2 3.83Å; W252-F404 AromaticContact CD2-CD2 3.36Å; W252-F404 HydrophobicContact CD2-CD2 3.36Å; W252-F404 AromaticContact CD2-CE2 3.78Å; W252-F404 HydrophobicContact CD2-CE2 3.78Å; W252-F404 HydrophobicContact CD2-CG 4.46Å; W252-F404 AromaticContact CE2-CD2 3.72Å; W252-F404 AromaticContact CE3-CD2 3.64Å; W252-F404 HydrophobicContact CE3-CD2 3.64Å; W252-F404 HydrophobicContact CE3-CE2 4.26Å; W252-F404 AromaticContact CG-CD2 3.55Å; W252-F404 HydrophobicContact CG-CD2 3.55Å; W252-F404 AromaticContact CG-CE2 3.41Å; W252-F404 HydrophobicContact CG-CE2 3.41Å; W252-F404 VanDerWaalsContact CG-CE2 3.41Å; W252-F404 HydrophobicContact CH2-CB 4.4Å; W252-F404 HydrophobicContact CZ2-CB 4.36Å; W252-F404 HydrophobicContact CZ2-CD2 4.29Å; W252-F404 HydrophobicContact CZ3-CD2 4.21Å; R373-F404 HydrophobicContact CG-CD1 4.5Å; E402-F404 PolarHBondContact O-N 2.65Å; F404-P406 WeakPolarHBondContact O-CD 3.44Å; F404-P412 HydrophobicContact CE1-CB 4.06Å; F404-P412 VanDerWaalsContact CE1-O 3.25Å; F404-P412 WeakPolarHBondContact CE1-O 3.29Å; F404-P412 HydrophobicContact CE2-CB 4.12Å; F404-P412 HydrophobicContact CZ-CB 3.76Å; F404-P412 WeakPolarHBondContact O-CD 3.19Å; F404-Y479 VanDerWaalsContact CD2-O 3.29Å; F404-Y479 WeakPolarHBondContact CD2-O 3.25Å; F404-Y479 WeakPolarHBondContact CE2-O 3.33Å
405	A	73.8	Confident	80.5	Confident	10 Å²	10	69.6 Å²	69.6	8%	0.083	37%	0.368	C	S	.	.	S	Bend	trans	-117.4	81.1	174.8	0	0	0	0	0	110.7	R373 D403	R373-A405 HydrophobicContact CG-CB 4.09Å; D403-A405 PolarHBondContact O-N 3.03Å
406	P	66.4	Low	80.6	Confident	40 Å²	40	70.4 Å²	70.4	26%	0.26	37%	0.368	S	S	.	.			trans	-68.3	139.7	177.3	27.6	-26.5	0	0	0	109.6	D403 F404 G408 E409	D403-P406 VanDerWaalsContact O-CD 3.22Å; D403-P406 WeakPolarHBondContact O-CD 3.17Å; F404-P406 WeakPolarHBondContact O-CD 3.44Å; P406-G408 PolarHBondContact O-N 3.41Å; P406-E409 HydrophobicContact CG-CB 4.44Å
407	R	63.7	Low	80.7	Confident	206 Å²	206	67.3 Å²	67.3	78%	0.777	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	121	-177.9	-67	-175.9	-168.7	-131.4	-6.3	110.3
408	G	56.4	Low	80.7	Confident	86 Å²	86	69.1 Å²	69.1	89%	0.887	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.8	0.8	168.8	0	0	0	0	0	116.5	P406	P406-G408 PolarHBondContact O-N 3.41Å
409	E	59.5	Low	80.9	Confident	144 Å²	144	67.2 Å²	67.2	67%	0.673	35%	0.354	S	S	*	.	S	Bend	trans	-113.9	167.8	175.6	-70.9	-179	172.8	0	0	112.2	P406 S411	P406-E409 HydrophobicContact CG-CB 4.44Å; E409-S411 PolarHBondContact O-N 3.06Å
410	Q	59.8	Low	81.1	Confident	196 Å²	196	66.3 Å²	66.3	92%	0.916	35%	0.35	S	S	*	.			trans	-64.6	103.1	167.6	-74.7	-174.4	-5.2	0	0	108.5
411	S	66	Low	81.4	Confident	51 Å²	51	64.9 Å²	64.9	36%	0.357	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-59	137.6	176.3	-54.4	0	0	0	0	110.4	E409	E409-S411 PolarHBondContact O-N 3.06Å
412	P	79.3	Confident	81.7	Confident	39 Å²	39	64.8 Å²	64.8	25%	0.253	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-50.5	151.2	168.2	-19.7	30.7	0	0	0	111.7	F404 T414	F404-P412 HydrophobicContact CE1-CB 4.06Å; F404-P412 VanDerWaalsContact CE1-O 3.25Å; F404-P412 WeakPolarHBondContact CE1-O 3.29Å; F404-P412 HydrophobicContact CE2-CB 4.12Å; F404-P412 HydrophobicContact CZ-CB 3.76Å; F404-P412 WeakPolarHBondContact O-CD 3.19Å; P412-T414 PolarHBondContact O-N 3.34Å
413	S	83.7	Confident	82	Confident	92 Å²	92	67 Å²	67	64%	0.643	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-65.5	121.5	178.8	60.3	0	0	0	0	110.8	M415	S413-M415 PolarHBondContact O-N 3.49Å
414	T	90.6	Very high	82.6	Confident	33 Å²	33	69.9 Å²	69.9	20%	0.202	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-53.6	133.7	170.4	-60.3	0	0	0	0	110.3	F369 R373 P412 R482	F369-T414 HydrophobicContact CD1-CG2 4.35Å; F369-T414 HydrophobicContact CE1-CG2 3.42Å; F369-T414 VanDerWaalsContact CE1-CG2 3.42Å; F369-T414 HydrophobicContact CZ-CG2 3.63Å; R373-T414 PolarHBondContact NH1-OG1 2.93Å; P412-T414 PolarHBondContact O-N 3.34Å; T414-R482 HydrophobicContact CG2-CB 3.7Å
415	M	94.1	Very high	83.5	Confident	1 Å²	1	72.8 Å²	72.8	1%	0.005	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	121.5	171.6	-177.2	172.4	85.2	0	0	109.2	S413 G480 I481 R482 L547 Y548 R551	S413-M415 PolarHBondContact O-N 3.49Å; M415-G480 PolarHBondContact N-O 3.5Å; M415-I481 HydrophobicContact CE-CB 4.33Å; M415-I481 HydrophobicContact CE-CD1 3.5Å; M415-I481 VanDerWaalsContact CE-CD1 3.5Å; M415-I481 HydrophobicContact CE-CG1 3.59Å; M415-I481 HydrophobicContact CE-CG2 3.96Å; M415-I481 CarbonylContact O-C 3.38Å; M415-I481 WeakPolarHBondContact O-CA 3.49Å; M415-R482 PolarHBondContact O-N 3.16Å; M415-L547 HydrophobicContact CE-CB 3.91Å; M415-L547 HydrophobicContact CE-CD1 4.32Å; M415-Y548 HydrophobicContact CB-CE1 3.93Å; M415-Y548 HydrophobicContact CE-CE1 4.34Å; M415-Y548 HydrophobicContact CG-CE1 4.47Å; M415-Y548 HydrophobicContact SD-CD1 3.96Å; M415-Y548 HydrophobicContact SD-CE1 3.73Å; M415-R551 PolarHBondContact SD-NH1 3.24Å
416	R	95	Very high	84.7	Confident	96 Å²	96	72.3 Å²	72.3	36%	0.362	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	133.2	169.1	-60.6	167.3	64.4	-146.7	10.5	108.5	Q418 D419 R482 D484	R416-Q418 PolarHBondContact O-N 3.44Å; R416-D419 HydrophobicContact CB-CB 4.42Å; R416-D419 WeakPolarHBondContact CB-OD2 3.4Å; R416-D419 IonicContact CZ-OD1 2.73Å; R416-D419 IonicContact NH1-OD1 2.85Å; R416-D419 PolarHBondContact NH1-OD1 3.04Å; R416-D419 WeakPolarHBondContact O-CB 3.32Å; R416-D419 PolarHBondContact O-N 3.15Å; R416-R482 WeakPolarHBondContact CA-O 3.47Å; R416-D484 IonicContact CZ-OD2 2.63Å; R416-D484 IonicContact NE-OD1 3.87Å; R416-D484 IonicContact NE-OD2 2.92Å; R416-D484 PolarHBondContact NE-OD2 3.41Å; R416-D484 IonicContact NH2-OD2 3.78Å; R416-D484 PolarHBondContact NH2-OD2 3.22Å
417	A	94.1	Very high	86.2	Confident	8 Å²	8	73.4 Å²	73.4	7%	0.066	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-31.1	178.4	0	0	0	0	0	111.6	D419 Y420 S421 I481 R482 Y483	A417-D419 VanDerWaalsContact C-N 3.31Å; A417-D419 PolarHBondContact O-N 3.14Å; A417-Y420 CarbonylContact O-C 3.54Å; A417-Y420 PolarHBondContact O-N 2.98Å; A417-S421 WeakPolarHBondContact O-CA 3.37Å; A417-S421 WeakPolarHBondContact O-CB 3.43Å; A417-S421 PolarHBondContact O-N 3.38Å; A417-I481 HydrophobicContact CB-CG2 4.31Å; A417-R482 WeakPolarHBondContact CB-O 3.46Å; A417-R482 PolarHBondContact N-O 3.43Å; A417-Y483 HydrophobicContact CB-CD1 3.43Å; A417-Y483 VanDerWaalsContact CB-CD1 3.43Å; A417-Y483 HydrophobicContact CB-CE1 3.5Å; A417-Y483 VanDerWaalsContact CB-CE1 3.5Å; A417-Y483 HydrophobicContact CB-CG 4.09Å
418	Q	91.9	Very high	87.8	Confident	79 Å²	79	66.8 Å²	66.8	37%	0.369	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-26.3	176.6	-64.3	75.8	13.4	0	0	113.3	R416 D484	R416-Q418 PolarHBondContact O-N 3.44Å; Q418-D484 PolarHBondContact OE1-OD2 2.93Å
419	D	95.3	Very high	89.8	Confident	91 Å²	91	62.9 Å²	62.9	49%	0.487	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-28.9	179	-61	-17.9	0	0	0	111.1	R416 A417	R416-D419 HydrophobicContact CB-CB 4.42Å; R416-D419 WeakPolarHBondContact CB-OD2 3.4Å; R416-D419 IonicContact CZ-OD1 2.73Å; R416-D419 IonicContact NH1-OD1 2.85Å; R416-D419 PolarHBondContact NH1-OD1 3.04Å; R416-D419 WeakPolarHBondContact O-CB 3.32Å; R416-D419 PolarHBondContact O-N 3.15Å; A417-D419 VanDerWaalsContact C-N 3.31Å; A417-D419 PolarHBondContact O-N 3.14Å
420	Y	97.4	Very high	91.7	Very high	8 Å²	8	56 Å²	56	3%	0.031	30%	0.295	C	S	.	.	S	Bend	trans	-159.2	91.3	175.9	-159.2	-84.6	0	0	0	111.7	A417 H425 L547 L550 R551 T554	A417-Y420 CarbonylContact O-C 3.54Å; A417-Y420 PolarHBondContact O-N 2.98Å; Y420-H425 HydrophobicContact CD1-CB 4.14Å; Y420-H425 HydrophobicContact CD2-CB 3.83Å; Y420-H425 AromaticContact CD2-CG 3.88Å; Y420-H425 HydrophobicContact CE1-CB 3.86Å; Y420-H425 HydrophobicContact CE2-CB 3.55Å; Y420-H425 HydrophobicContact CG-CB 4.13Å; Y420-L547 HydrophobicContact CD1-CD2 4.07Å; Y420-L547 HydrophobicContact CE1-CD2 4.31Å; Y420-L550 HydrophobicContact CE1-CB 3.77Å; Y420-L550 WeakPolarHBondContact OH-CB 3.5Å; Y420-L550 PolarHBondContact OH-O 3.28Å; Y420-R551 HydrophobicContact CD1-CB 3.93Å; Y420-R551 HydrophobicContact CD1-CG 4.48Å; Y420-R551 HydrophobicContact CD2-CB 3.95Å; Y420-R551 HydrophobicContact CD2-CG 3.8Å; Y420-R551 HydrophobicContact CE1-CB 4.12Å; Y420-R551 HydrophobicContact CE2-CB 4.11Å; Y420-R551 HydrophobicContact CE2-CG 4.29Å; Y420-R551 HydrophobicContact CG-CB 3.83Å; Y420-R551 HydrophobicContact CG-CG 3.89Å; Y420-T554 HydrophobicContact CE2-CG2 4.24Å; Y420-T554 WeakPolarHBondContact CE2-OG1 3.33Å; Y420-T554 PolarHBondContact OH-OG1 3.48Å
421	S	97.4	Very high	93.5	Very high	19 Å²	19	49 Å²	49	13%	0.133	26%	0.262	C	S	.	.			trans	-94.2	162.6	177.7	67.6	0	0	0	0	112.5	A417 D424 H425 G426	A417-S421 WeakPolarHBondContact O-CA 3.37Å; A417-S421 WeakPolarHBondContact O-CB 3.43Å; A417-S421 PolarHBondContact O-N 3.38Å; S421-D424 WeakPolarHBondContact OG-CB 3.41Å; S421-D424 VanDerWaalsContact OG-CG 3.22Å; S421-D424 PolarHBondContact OG-N 3.42Å; S421-D424 PolarHBondContact OG-OD2 3.39Å; S421-H425 PolarHBondContact N-ND1 3.43Å; S421-H425 WeakPolarHBondContact O-CB 3.48Å; S421-H425 PolarHBondContact O-N 3.31Å; S421-G426 PolarHBondContact O-N 3.01Å
422	W	97.9	Very high	95	Very high	9 Å²	9	53.8 Å²	53.8	3%	0.034	27%	0.272	C	S	.	.	I	π-helix	trans	-63.7	-48.4	170.5	173.5	-103.2	0	0	0	110.8	D424 G426 F427 V430 L441 D442 F445 Q543 L547 L550	W422-D424 PolarHBondContact O-N 3.44Å; W422-G426 PolarHBondContact O-N 3.44Å; W422-G426 VanDerWaalsContact O-N 3.11Å; W422-F427 HydrophobicContact CD2-CB 4.41Å; W422-F427 HydrophobicContact CZ2-CB 4.18Å; W422-F427 HydrophobicContact CZ2-CD2 4.08Å; W422-F427 WeakPolarHBondContact O-CB 3.43Å; W422-F427 PolarHBondContact O-N 2.83Å; W422-V430 HydrophobicContact CH2-CB 4.47Å; W422-V430 HydrophobicContact CH2-CG2 4.16Å; W422-V430 HydrophobicContact CZ3-CG2 4.07Å; W422-L441 HydrophobicContact CH2-CB 3.82Å; W422-L441 HydrophobicContact CH2-CD1 3.96Å; W422-L441 HydrophobicContact CZ2-CB 3.87Å; W422-D442 HydrophobicContact CZ2-CB 4.26Å; W422-D442 PolarHBondContact NE1-OD1 3.13Å; W422-F445 HydrophobicContact CD2-CD2 4.13Å; W422-F445 AromaticContact CD2-CE2 3.89Å; W422-F445 HydrophobicContact CD2-CE2 3.89Å; W422-F445 AromaticContact CE2-CD2 3.87Å; W422-F445 AromaticContact CE2-CE2 3.85Å; W422-F445 HydrophobicContact CE3-CE2 4.1Å; W422-F445 HydrophobicContact CG-CD2 4.32Å; W422-F445 HydrophobicContact CG-CE2 4.42Å; W422-F445 HydrophobicContact CH2-CE2 4.26Å; W422-F445 HydrophobicContact CZ2-CD2 4.31Å; W422-F445 HydrophobicContact CZ2-CE2 4.05Å; W422-F445 HydrophobicContact CZ3-CE2 4.28Å; W422-F445 AromaticContact NE1-CD2 3.88Å; W422-Q543 HydrophobicContact CB-CG 4.46Å; W422-L547 HydrophobicContact CB-CD2 4.17Å; W422-L550 HydrophobicContact CE3-CD1 4.36Å; W422-L550 HydrophobicContact CZ3-CD1 4.06Å
423	E	96.6	Very high	95.8	Very high	144 Å²	144	53.1 Å²	53.1	67%	0.673	27%	0.267	S	S	*	.	I	π-helix	trans	-61.4	-46.4	-175	-64	175.2	-173.2	0	0	112.5
424	D	96.8	Very high	96.5	Very high	111 Å²	111	49.4 Å²	49.4	59%	0.594	24%	0.239	S	C	*	.	I	π-helix	trans	-86.3	-27.9	-174.7	-54.8	-55.4	0	0	0	112.8	S421 W422	S421-D424 WeakPolarHBondContact OG-CB 3.41Å; S421-D424 VanDerWaalsContact OG-CG 3.22Å; S421-D424 PolarHBondContact OG-N 3.42Å; S421-D424 PolarHBondContact OG-OD2 3.39Å; W422-D424 PolarHBondContact O-N 3.44Å
425	H	98.2	Very high	96.7	Very high	66 Å²	66	51.8 Å²	51.8	31%	0.306	26%	0.256	S	S	.	.	I	π-helix	trans	-129.1	-57.4	-169.1	-52	88	0	0	0	113.3	Y420 S421 F427 S428 L429	Y420-H425 HydrophobicContact CD1-CB 4.14Å; Y420-H425 HydrophobicContact CD2-CB 3.83Å; Y420-H425 AromaticContact CD2-CG 3.88Å; Y420-H425 HydrophobicContact CE1-CB 3.86Å; Y420-H425 HydrophobicContact CE2-CB 3.55Å; Y420-H425 HydrophobicContact CG-CB 4.13Å; S421-H425 PolarHBondContact N-ND1 3.43Å; S421-H425 WeakPolarHBondContact O-CB 3.48Å; S421-H425 PolarHBondContact O-N 3.31Å; H425-F427 PolarHBondContact O-N 3.01Å; H425-S428 PolarHBondContact O-N 3.37Å; H425-S428 PolarHBondContact O-OG 3.26Å; H425-L429 PolarHBondContact O-N 3.23Å; H425-L429 VanDerWaalsContact O-N 3.09Å
426	G	98.1	Very high	96.7	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.278	C	S	.	.	I	π-helix	trans	-59	-48.8	-169.9	0	0	0	0	0	113	S421 W422 S428 L429 V430	S421-G426 PolarHBondContact O-N 3.01Å; W422-G426 PolarHBondContact O-N 3.44Å; W422-G426 VanDerWaalsContact O-N 3.11Å; G426-S428 PolarHBondContact O-N 3.39Å; G426-L429 PolarHBondContact O-N 2.89Å; G426-V430 WeakPolarHBondContact O-CG2 3.21Å; G426-V430 PolarHBondContact O-N 3.31Å
427	F	98.4	Very high	96.8	Very high	62 Å²	62	51.8 Å²	51.8	27%	0.272	26%	0.263	S	S	.	.	H	α-helix	trans	-55.5	-52.5	178.5	175.4	-93	0	0	0	111.8	W422 H425 L429 V430 Q431 G438 Q439 D442	W422-F427 HydrophobicContact CD2-CB 4.41Å; W422-F427 HydrophobicContact CZ2-CB 4.18Å; W422-F427 HydrophobicContact CZ2-CD2 4.08Å; W422-F427 WeakPolarHBondContact O-CB 3.43Å; W422-F427 PolarHBondContact O-N 2.83Å; H425-F427 PolarHBondContact O-N 3.01Å; F427-L429 VanDerWaalsContact C-N 3.32Å; F427-L429 PolarHBondContact O-N 2.87Å; F427-V430 PolarHBondContact O-N 3.09Å; F427-Q431 WeakPolarHBondContact O-CB 3.2Å; F427-Q431 PolarHBondContact O-N 3.37Å; F427-G438 WeakPolarHBondContact CD2-O 3.34Å; F427-G438 VanDerWaalsContact CE2-C 3.45Å; F427-G438 WeakPolarHBondContact CE2-O 3.39Å; F427-Q439 HydrophobicContact CE2-CG 4.35Å; F427-Q439 HydrophobicContact CZ-CG 4.25Å; F427-D442 HydrophobicContact CD2-CB 3.89Å; F427-D442 HydrophobicContact CE2-CB 3.96Å
428	S	97.9	Very high	96.9	Very high	67 Å²	67	51.4 Å²	51.4	47%	0.469	26%	0.26	S	S	.	.	H	α-helix	trans	-65.2	-36	-176.4	71	0	0	0	0	112.3	H425 G426 R432	H425-S428 PolarHBondContact O-N 3.37Å; H425-S428 PolarHBondContact O-OG 3.26Å; G426-S428 PolarHBondContact O-N 3.39Å; S428-R432 WeakPolarHBondContact O-CB 3.41Å; S428-R432 PolarHBondContact O-N 2.94Å; S428-R432 VanDerWaalsContact O-N 3.09Å
429	L	98.4	Very high	97.2	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-65.7	-47.5	175.6	-179.8	62.9	0	0	0	111.5	H425 G426 F427 R432 L433 L550 I553 I557	H425-L429 PolarHBondContact O-N 3.23Å; H425-L429 VanDerWaalsContact O-N 3.09Å; G426-L429 PolarHBondContact O-N 2.89Å; F427-L429 VanDerWaalsContact C-N 3.32Å; F427-L429 PolarHBondContact O-N 2.87Å; L429-R432 PolarHBondContact O-N 3.14Å; L429-L433 HydrophobicContact CD1-CD1 3.66Å; L429-L433 HydrophobicContact CD1-CG 4.06Å; L429-L433 HydrophobicContact CG-CD1 4.07Å; L429-L433 WeakPolarHBondContact O-CG 3.27Å; L429-L433 PolarHBondContact O-N 3.42Å; L429-L433 VanDerWaalsContact O-N 3.09Å; L429-L550 HydrophobicContact CD2-CB 4.03Å; L429-L550 HydrophobicContact CD2-CD2 3.8Å; L429-L550 WeakPolarHBondContact CD2-O 3.31Å; L429-L550 HydrophobicContact CG-CD2 4.33Å; L429-I553 HydrophobicContact CD1-CG2 4.45Å; L429-I553 HydrophobicContact CD2-CB 4.15Å; L429-I553 HydrophobicContact CD2-CG2 3.96Å; L429-I557 HydrophobicContact CD1-CD1 4.09Å
430	V	98.3	Very high	97.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.3	-50.3	178	174	0	0	0	0	109.8	I277 I281 W422 G426 F427 R432 L433 L434 M437 L550	I277-V430 HydrophobicContact CD1-CG2 4.41Å; I281-V430 HydrophobicContact CD1-CG1 3.9Å; I281-V430 HydrophobicContact CD1-CG2 4.41Å; W422-V430 HydrophobicContact CH2-CB 4.47Å; W422-V430 HydrophobicContact CH2-CG2 4.16Å; W422-V430 HydrophobicContact CZ3-CG2 4.07Å; G426-V430 WeakPolarHBondContact O-CG2 3.21Å; G426-V430 PolarHBondContact O-N 3.31Å; F427-V430 PolarHBondContact O-N 3.09Å; V430-R432 PolarHBondContact O-N 2.85Å; V430-R432 VanDerWaalsContact O-N 3.13Å; V430-L433 PolarHBondContact O-N 2.93Å; V430-L433 VanDerWaalsContact O-N 3.07Å; V430-L434 CarbonylContact O-C 3.59Å; V430-L434 WeakPolarHBondContact O-CA 3.14Å; V430-L434 PolarHBondContact O-N 3.05Å; V430-L434 VanDerWaalsContact O-O 3.07Å; V430-M437 HydrophobicContact CG1-CB 4.09Å; V430-M437 HydrophobicContact CG1-CG 4.3Å; V430-L550 HydrophobicContact CG2-CD1 4.06Å; V430-L550 HydrophobicContact CG2-CD2 3.78Å
431	Q	97.3	Very high	97.4	Very high	48 Å²	48	50.4 Å²	50.4	22%	0.224	25%	0.251	C	S	.	.	H	α-helix	trans	-57.9	-32.4	-179.9	-171.7	64.2	26.5	0	0	112.7	F427 P435 D436	F427-Q431 WeakPolarHBondContact O-CB 3.2Å; F427-Q431 PolarHBondContact O-N 3.37Å; Q431-P435 WeakPolarHBondContact O-CA 3.21Å; Q431-D436 VanDerWaalsContact NE2-N 3.15Å
432	R	97.6	Very high	97.4	Very high	152 Å²	152	51.7 Å²	51.7	57%	0.574	26%	0.257	S	S	*	.	H	α-helix	trans	-75.1	-37.9	177.2	-177.8	175.4	61.4	145.2	0.3	113.3	S428 L429 V430	S428-R432 WeakPolarHBondContact O-CB 3.41Å; S428-R432 PolarHBondContact O-N 2.94Å; S428-R432 VanDerWaalsContact O-N 3.09Å; L429-R432 PolarHBondContact O-N 3.14Å; V430-R432 PolarHBondContact O-N 2.85Å; V430-R432 VanDerWaalsContact O-N 3.13Å
433	L	97.8	Very high	97.4	Very high	26 Å²	26	54.3 Å²	54.3	14%	0.136	27%	0.27	C	S	.	.	H	α-helix	trans	-94.5	-27.5	-173.7	-64.5	-179.3	0	0	0	113.5	L273 I277 L429 V430 I553 I557	L273-L433 HydrophobicContact CB-CD1 4.38Å; L273-L433 HydrophobicContact CB-CD2 4.03Å; I277-L433 HydrophobicContact CB-CB 4.24Å; I277-L433 HydrophobicContact CB-CD1 4.39Å; I277-L433 HydrophobicContact CG1-CB 4.41Å; I277-L433 HydrophobicContact CG2-CB 3.7Å; L429-L433 HydrophobicContact CD1-CD1 3.66Å; L429-L433 HydrophobicContact CD1-CG 4.06Å; L429-L433 HydrophobicContact CG-CD1 4.07Å; L429-L433 WeakPolarHBondContact O-CG 3.27Å; L429-L433 PolarHBondContact O-N 3.42Å; L429-L433 VanDerWaalsContact O-N 3.09Å; V430-L433 PolarHBondContact O-N 2.93Å; V430-L433 VanDerWaalsContact O-N 3.07Å; L433-I553 HydrophobicContact CD1-CG2 4.06Å; L433-I557 HydrophobicContact CD1-CD1 4.46Å
434	L	97.3	Very high	97.5	Very high	13 Å²	13	47.5 Å²	47.5	7%	0.068	24%	0.238	C	C	.	.	S	Bend	trans	-142.4	87.5	176.8	-175	62.6	0	0	0	108.3	P187 I277 H278 I281 V430 M437	P187-L434 VanDerWaalsContact CD-CD1 3.44Å; P187-L434 HydrophobicContact CG-CD1 3.86Å; I277-L434 HydrophobicContact CG2-CB 3.8Å; H278-L434 HydrophobicContact CB-CD2 4.1Å; I281-L434 HydrophobicContact CD1-CD2 4.06Å; V430-L434 CarbonylContact O-C 3.59Å; V430-L434 WeakPolarHBondContact O-CA 3.14Å; V430-L434 PolarHBondContact O-N 3.05Å; V430-L434 VanDerWaalsContact O-O 3.07Å; L434-M437 HydrophobicContact CB-CB 4.34Å; L434-M437 HydrophobicContact CD2-CB 3.77Å; L434-M437 HydrophobicContact CD2-CE 4.47Å; L434-M437 HydrophobicContact CD2-CG 3.82Å; L434-M437 HydrophobicContact CG-CB 3.77Å; L434-M437 HydrophobicContact CG-CG 4.39Å; L434-M437 WeakPolarHBondContact O-CB 3.05Å; L434-M437 PolarHBondContact O-N 3.11Å
435	P	95.4	Very high	97.5	Very high	84 Å²	84	42.4 Å²	42.4	55%	0.545	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	146.7	-176.9	-28.4	36.1	0	0	0	113.2	Q431 M437	Q431-P435 WeakPolarHBondContact O-CA 3.21Å; P435-M437 PolarHBondContact O-N 3.23Å
436	D	93.6	Very high	97.5	Very high	88 Å²	88	42.6 Å²	42.6	47%	0.471	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	-26.5	179.2	-51.3	-32.6	0	0	0	115.1	Q431 G438 Q439 F440	Q431-D436 VanDerWaalsContact NE2-N 3.15Å; D436-G438 PolarHBondContact O-N 2.65Å; D436-Q439 WeakPolarHBondContact O-CB 3.3Å; D436-Q439 PolarHBondContact O-N 2.9Å; D436-F440 HydrophobicContact CB-CE2 4.18Å; D436-F440 VanDerWaalsContact O-CD2 3.24Å; D436-F440 WeakPolarHBondContact O-CD2 3.49Å; D436-F440 PolarHBondContact O-N 2.9Å
437	M	97.2	Very high	97.5	Very high	9 Å²	9	44.3 Å²	44.3	4%	0.044	22%	0.221	C	C	.	.	H	α-helix	trans	-61.4	-30.6	176.5	-168.4	57.4	58.9	0	0	112.9	T177 A180 L181 I281 V430 L434 P435 Q439 F440 L441	T177-M437 HydrophobicContact CG2-SD 4.33Å; A180-M437 HydrophobicContact CB-CE 3.82Å; L181-M437 HydrophobicContact CB-CE 4.48Å; L181-M437 HydrophobicContact CD2-CE 3.55Å; L181-M437 HydrophobicContact CD2-SD 3.68Å; L181-M437 HydrophobicContact CG-CE 3.8Å; L181-M437 HydrophobicContact CG-SD 3.96Å; I281-M437 HydrophobicContact CD1-CG 3.85Å; V430-M437 HydrophobicContact CG1-CB 4.09Å; V430-M437 HydrophobicContact CG1-CG 4.3Å; L434-M437 HydrophobicContact CB-CB 4.34Å; L434-M437 HydrophobicContact CD2-CB 3.77Å; L434-M437 HydrophobicContact CD2-CE 4.47Å; L434-M437 HydrophobicContact CD2-CG 3.82Å; L434-M437 HydrophobicContact CG-CB 3.77Å; L434-M437 HydrophobicContact CG-CG 4.39Å; L434-M437 WeakPolarHBondContact O-CB 3.05Å; L434-M437 PolarHBondContact O-N 3.11Å; P435-M437 PolarHBondContact O-N 3.23Å; M437-Q439 VanDerWaalsContact C-N 3.27Å; M437-Q439 PolarHBondContact O-N 3.13Å; M437-F440 PolarHBondContact O-N 3Å; M437-F440 HydrophobicContact SD-CB 4.45Å; M437-L441 HydrophobicContact CG-CD1 4.15Å; M437-L441 HydrophobicContact CG-CG 4.42Å; M437-L441 WeakPolarHBondContact O-CG 3.25Å; M437-L441 PolarHBondContact O-N 3Å; M437-L441 VanDerWaalsContact O-N 3.13Å; M437-L441 HydrophobicContact SD-CG 4.43Å
438	G	96.5	Very high	97.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.4	-40.3	173.8	0	0	0	0	0	111.9	F427 D436 D442	F427-G438 WeakPolarHBondContact CD2-O 3.34Å; F427-G438 VanDerWaalsContact CE2-C 3.45Å; F427-G438 WeakPolarHBondContact CE2-O 3.39Å; D436-G438 PolarHBondContact O-N 2.65Å; G438-D442 VanDerWaalsContact O-CB 3.25Å; G438-D442 WeakPolarHBondContact O-CB 3.34Å; G438-D442 PolarHBondContact O-N 2.97Å
439	Q	97.8	Very high	97.3	Very high	109 Å²	109	40 Å²	40	51%	0.509	20%	0.199	S	C	.	.	H	α-helix	trans	-70.6	-42.8	179.9	-62.3	177.1	10.3	0	0	112.2	F427 D436 M437 D442 E443	F427-Q439 HydrophobicContact CE2-CG 4.35Å; F427-Q439 HydrophobicContact CZ-CG 4.25Å; D436-Q439 WeakPolarHBondContact O-CB 3.3Å; D436-Q439 PolarHBondContact O-N 2.9Å; M437-Q439 VanDerWaalsContact C-N 3.27Å; M437-Q439 PolarHBondContact O-N 3.13Å; Q439-D442 PolarHBondContact O-N 3.48Å; Q439-E443 WeakPolarHBondContact O-CB 3.42Å; Q439-E443 PolarHBondContact O-N 2.81Å
440	F	98.1	Very high	97.3	Very high	47 Å²	47	44.4 Å²	44.4	21%	0.206	22%	0.223	C	C	.	.	H	α-helix	trans	-62.2	-45.7	178.4	-69.8	-62.4	0	0	0	112.2	R176 T177 A180 D436 M437 E443 E444	R176-F440 HydrophobicContact CB-CD1 4.25Å; R176-F440 HydrophobicContact CB-CE1 4.17Å; T177-F440 HydrophobicContact CG2-CB 4.28Å; A180-F440 HydrophobicContact CB-CD2 3.58Å; A180-F440 HydrophobicContact CB-CE2 3.54Å; A180-F440 HydrophobicContact CB-CG 4.17Å; A180-F440 HydrophobicContact CB-CZ 4.1Å; D436-F440 HydrophobicContact CB-CE2 4.18Å; D436-F440 VanDerWaalsContact O-CD2 3.24Å; D436-F440 WeakPolarHBondContact O-CD2 3.49Å; D436-F440 PolarHBondContact O-N 2.9Å; M437-F440 PolarHBondContact O-N 3Å; M437-F440 HydrophobicContact SD-CB 4.45Å; F440-E443 PolarHBondContact O-N 2.92Å; F440-E444 PolarHBondContact O-N 2.96Å; F440-E444 VanDerWaalsContact O-N 3.15Å
441	L	98.3	Very high	97.2	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66.4	-41.3	177	-69.3	173	0	0	0	112.3	T177 I281 W422 M437 E443 E444 F445 L542 L546	T177-L441 HydrophobicContact CG2-CD2 4.33Å; I281-L441 HydrophobicContact CD1-CD1 4.1Å; I281-L441 HydrophobicContact CG1-CD1 4.33Å; I281-L441 HydrophobicContact CG2-CD1 4.1Å; I281-L441 HydrophobicContact CG2-CD2 4.44Å; W422-L441 HydrophobicContact CH2-CB 3.82Å; W422-L441 HydrophobicContact CH2-CD1 3.96Å; W422-L441 HydrophobicContact CZ2-CB 3.87Å; M437-L441 HydrophobicContact CG-CD1 4.15Å; M437-L441 HydrophobicContact CG-CG 4.42Å; M437-L441 WeakPolarHBondContact O-CG 3.25Å; M437-L441 PolarHBondContact O-N 3Å; M437-L441 VanDerWaalsContact O-N 3.13Å; M437-L441 HydrophobicContact SD-CG 4.43Å; L441-E443 VanDerWaalsContact C-N 3.33Å; L441-E443 PolarHBondContact O-N 3.42Å; L441-E444 PolarHBondContact O-N 3.28Å; L441-F445 HydrophobicContact CB-CE2 4.27Å; L441-F445 WeakPolarHBondContact O-CD2 3.21Å; L441-F445 VanDerWaalsContact O-CG 3.3Å; L441-F445 WeakPolarHBondContact O-CG 3.41Å; L441-F445 PolarHBondContact O-N 3.2Å; L441-L542 HydrophobicContact CD2-CD2 4.29Å; L441-L546 HydrophobicContact CD1-CD1 4.15Å
442	D	98.5	Very high	97.2	Very high	46 Å²	46	44.8 Å²	44.8	25%	0.246	23%	0.228	C	C	.	.	H	α-helix	trans	-61.7	-43.7	177.1	-169.6	65.3	0	0	0	111.5	W422 F427 G438 Q439 E444 F445 Q446	W422-D442 HydrophobicContact CZ2-CB 4.26Å; W422-D442 PolarHBondContact NE1-OD1 3.13Å; F427-D442 HydrophobicContact CD2-CB 3.89Å; F427-D442 HydrophobicContact CE2-CB 3.96Å; G438-D442 VanDerWaalsContact O-CB 3.25Å; G438-D442 WeakPolarHBondContact O-CB 3.34Å; G438-D442 PolarHBondContact O-N 2.97Å; Q439-D442 PolarHBondContact O-N 3.48Å; D442-E444 PolarHBondContact O-N 3.35Å; D442-F445 PolarHBondContact O-N 2.91Å; D442-Q446 WeakPolarHBondContact O-CB 3.35Å; D442-Q446 VanDerWaalsContact O-CG 3.26Å; D442-Q446 WeakPolarHBondContact O-CG 3.26Å; D442-Q446 PolarHBondContact O-N 3.18Å
443	E	98.2	Very high	97.2	Very high	65 Å²	65	42.9 Å²	42.9	30%	0.304	22%	0.221	S	C	.	.	H	α-helix	trans	-60.3	-43.7	176.6	-174.6	174.3	-161.4	0	0	112	C173 R176 Q439 F440 L441 Q446 V447	C173-E443 HydrophobicContact CB-CG 4.09Å; R176-E443 IonicContact CZ-OE1 2.79Å; R176-E443 IonicContact CZ-OE2 3.04Å; R176-E443 VanDerWaalsContact NH1-CD 3.33Å; R176-E443 IonicContact NH1-OE1 3.55Å; R176-E443 PolarHBondContact NH1-OE1 3.22Å; R176-E443 VanDerWaalsContact NH1-OE1 3.12Å; R176-E443 IonicContact NH1-OE2 3.76Å; R176-E443 PolarHBondContact NH1-OE2 2.82Å; R176-E443 IonicContact NH2-OE1 3.93Å; R176-E443 PolarHBondContact NH2-OE1 3.38Å; R176-E443 IonicContact NH2-OE2 2.58Å; R176-E443 PolarHBondContact NH2-OE2 3.44Å; R176-E443 VanDerWaalsContact NH2-OE2 3.15Å; Q439-E443 WeakPolarHBondContact O-CB 3.42Å; Q439-E443 PolarHBondContact O-N 2.81Å; F440-E443 PolarHBondContact O-N 2.92Å; L441-E443 VanDerWaalsContact C-N 3.33Å; L441-E443 PolarHBondContact O-N 3.42Å; E443-Q446 PolarHBondContact O-N 3.47Å; E443-V447 HydrophobicContact CG-CG2 4.21Å; E443-V447 WeakPolarHBondContact O-CB 3.42Å; E443-V447 WeakPolarHBondContact O-CG2 3.47Å; E443-V447 PolarHBondContact O-N 2.94Å
444	E	97.5	Very high	97.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.3	-46.9	175.7	-79.3	-175.7	111.4	0	0	112.5	C173 F174 T177 F440 L441 D442 Q446 V447 V448	C173-E444 HydrophobicContact CB-CG 4.08Å; F174-E444 VanDerWaalsContact CA-OE1 3.27Å; F174-E444 WeakPolarHBondContact CA-OE1 3.46Å; T177-E444 WeakPolarHBondContact CB-OE2 3.48Å; T177-E444 WeakPolarHBondContact CG2-OE2 3.27Å; T177-E444 PolarHBondContact OG1-OE2 3.05Å; F440-E444 PolarHBondContact O-N 2.96Å; F440-E444 VanDerWaalsContact O-N 3.15Å; L441-E444 PolarHBondContact O-N 3.28Å; D442-E444 PolarHBondContact O-N 3.35Å; E444-Q446 VanDerWaalsContact C-N 3.33Å; E444-Q446 PolarHBondContact O-N 3.36Å; E444-V447 PolarHBondContact O-N 3.34Å; E444-V448 PolarHBondContact O-N 2.77Å
445	F	98.3	Very high	96.9	Very high	5 Å²	5	49.1 Å²	49.1	2%	0.022	25%	0.248	C	C	.	.	H	α-helix	trans	-60.3	-43.6	177.2	-63.2	-32.8	0	0	0	111.6	W422 L441 D442 S449 W472 E539 L542 Q543 L546	W422-F445 HydrophobicContact CD2-CD2 4.13Å; W422-F445 AromaticContact CD2-CE2 3.89Å; W422-F445 HydrophobicContact CD2-CE2 3.89Å; W422-F445 AromaticContact CE2-CD2 3.87Å; W422-F445 AromaticContact CE2-CE2 3.85Å; W422-F445 HydrophobicContact CE3-CE2 4.1Å; W422-F445 HydrophobicContact CG-CD2 4.32Å; W422-F445 HydrophobicContact CG-CE2 4.42Å; W422-F445 HydrophobicContact CH2-CE2 4.26Å; W422-F445 HydrophobicContact CZ2-CD2 4.31Å; W422-F445 HydrophobicContact CZ2-CE2 4.05Å; W422-F445 HydrophobicContact CZ3-CE2 4.28Å; W422-F445 AromaticContact NE1-CD2 3.88Å; L441-F445 HydrophobicContact CB-CE2 4.27Å; L441-F445 WeakPolarHBondContact O-CD2 3.21Å; L441-F445 VanDerWaalsContact O-CG 3.3Å; L441-F445 WeakPolarHBondContact O-CG 3.41Å; L441-F445 PolarHBondContact O-N 3.2Å; D442-F445 PolarHBondContact O-N 2.91Å; F445-S449 WeakPolarHBondContact O-CB 3.31Å; F445-S449 PolarHBondContact O-N 3.5Å; F445-W472 HydrophobicContact CD1-CH2 4.16Å; F445-E539 HydrophobicContact CD1-CB 4.26Å; F445-E539 WeakPolarHBondContact CD1-OE2 3.45Å; F445-E539 VanDerWaalsContact CE1-OE2 3.3Å; F445-E539 WeakPolarHBondContact CE1-OE2 3.3Å; F445-L542 HydrophobicContact CE1-CB 4.38Å; F445-L542 HydrophobicContact CE1-CD2 4.11Å; F445-L542 HydrophobicContact CE1-CG 4.13Å; F445-L542 HydrophobicContact CZ-CD2 4.36Å; F445-L542 HydrophobicContact CZ-CG 4.17Å; F445-Q543 HydrophobicContact CD1-CB 4.43Å; F445-Q543 HydrophobicContact CE1-CB 3.84Å; F445-Q543 HydrophobicContact CE2-CB 4.26Å; F445-Q543 HydrophobicContact CE2-CG 4.1Å; F445-Q543 HydrophobicContact CZ-CB 3.75Å; F445-Q543 HydrophobicContact CZ-CG 4.1Å; F445-L546 HydrophobicContact CZ-CD1 4.3Å
446	Q	98.1	Very high	96.9	Very high	70 Å²	70	45.3 Å²	45.3	33%	0.327	22%	0.223	S	C	.	.	H	α-helix	trans	-68	-43.3	178.7	-70.1	-60.2	-27.1	0	0	112.2	D442 E443 E444 S449 N450	D442-Q446 WeakPolarHBondContact O-CB 3.35Å; D442-Q446 VanDerWaalsContact O-CG 3.26Å; D442-Q446 WeakPolarHBondContact O-CG 3.26Å; D442-Q446 PolarHBondContact O-N 3.18Å; E443-Q446 PolarHBondContact O-N 3.47Å; E444-Q446 VanDerWaalsContact C-N 3.33Å; E444-Q446 PolarHBondContact O-N 3.36Å; Q446-S449 PolarHBondContact O-N 3.08Å; Q446-N450 VanDerWaalsContact O-CB 3.3Å; Q446-N450 WeakPolarHBondContact O-CB 3.47Å; Q446-N450 VanDerWaalsContact O-CG 3.31Å; Q446-N450 PolarHBondContact O-N 3.25Å; Q446-N450 PolarHBondContact O-ND2 2.94Å; Q446-N450 PolarHBondContact OE1-ND2 2.71Å
447	V	98.1	Very high	96.9	Very high	35 Å²	35	41.2 Å²	41.2	21%	0.212	20%	0.202	C	C	.	.	H	α-helix	trans	-61.3	-48	178.9	168.2	0	0	0	0	110.2	Y170 C173 E443 E444 N450 L451	Y170-V447 HydrophobicContact CD2-CG1 4.45Å; C173-V447 HydrophobicContact CB-CG2 4.5Å; E443-V447 HydrophobicContact CG-CG2 4.21Å; E443-V447 WeakPolarHBondContact O-CB 3.42Å; E443-V447 WeakPolarHBondContact O-CG2 3.47Å; E443-V447 PolarHBondContact O-N 2.94Å; E444-V447 PolarHBondContact O-N 3.34Å; V447-N450 PolarHBondContact O-N 3.38Å; V447-L451 VanDerWaalsContact O-CB 3.27Å; V447-L451 WeakPolarHBondContact O-CB 3.25Å; V447-L451 PolarHBondContact O-N 3.04Å
448	V	96.7	Very high	96.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68	-37.5	179.7	104.5	0	0	0	0	112	Y170 E444 N450 L451 W472 L535 I536 E539	Y170-V448 HydrophobicContact CD2-CB 4.21Å; Y170-V448 HydrophobicContact CD2-CG2 3.9Å; Y170-V448 HydrophobicContact CE2-CB 4.37Å; Y170-V448 HydrophobicContact CE2-CG2 4.1Å; E444-V448 PolarHBondContact O-N 2.77Å; V448-N450 VanDerWaalsContact C-N 3.28Å; V448-N450 PolarHBondContact O-N 2.94Å; V448-L451 PolarHBondContact O-N 2.86Å; V448-W472 HydrophobicContact CG1-CE3 4.37Å; V448-W472 HydrophobicContact CG1-CZ3 3.71Å; V448-L535 HydrophobicContact CG2-CB 3.65Å; V448-I536 HydrophobicContact CG2-CG1 4.5Å; V448-E539 HydrophobicContact CB-CG 4.03Å; V448-E539 HydrophobicContact CG1-CB 3.75Å; V448-E539 HydrophobicContact CG1-CG 3.8Å; V448-E539 HydrophobicContact CG2-CG 4.13Å
449	S	95.1	Very high	96.4	Very high	38 Å²	38	47.6 Å²	47.6	27%	0.266	23%	0.232	S	C	.	.	H	α-helix	trans	-66.6	-31.5	178.6	-179.3	0	0	0	0	112	F445 Q446 R468	F445-S449 WeakPolarHBondContact O-CB 3.31Å; F445-S449 PolarHBondContact O-N 3.5Å; Q446-S449 PolarHBondContact O-N 3.08Å; S449-R468 PolarHBondContact O-NH1 3.49Å
450	N	97.1	Very high	96.3	Very high	98 Å²	98	48.2 Å²	48.2	52%	0.524	24%	0.235	S	C	.	.	H	α-helix	trans	-98.2	-11.2	-179.3	-64.4	-42.8	0	0	0	113.5	Q446 V447 V448 T452	Q446-N450 VanDerWaalsContact O-CB 3.3Å; Q446-N450 WeakPolarHBondContact O-CB 3.47Å; Q446-N450 VanDerWaalsContact O-CG 3.31Å; Q446-N450 PolarHBondContact O-N 3.25Å; Q446-N450 PolarHBondContact O-ND2 2.94Å; Q446-N450 PolarHBondContact OE1-ND2 2.71Å; V447-N450 PolarHBondContact O-N 3.38Å; V448-N450 VanDerWaalsContact C-N 3.28Å; V448-N450 PolarHBondContact O-N 2.94Å; N450-T452 PolarHBondContact O-N 2.89Å; N450-T452 VanDerWaalsContact O-N 3.13Å
451	L	97.6	Very high	96.1	Very high	12 Å²	12	53.2 Å²	53.2	6%	0.063	26%	0.264	C	S	.	.			trans	-59.7	119.5	-178.3	-173.4	61	0	0	0	110.2	H167 S169 V447 V448 Y453 R468 H532 L535	H167-L451 HydrophobicContact CB-CD2 4Å; S169-L451 VanDerWaalsContact OG-CD1 3.3Å; S169-L451 WeakPolarHBondContact OG-CD1 3.3Å; V447-L451 VanDerWaalsContact O-CB 3.27Å; V447-L451 WeakPolarHBondContact O-CB 3.25Å; V447-L451 PolarHBondContact O-N 3.04Å; V448-L451 PolarHBondContact O-N 2.86Å; L451-Y453 HydrophobicContact CD1-CE2 4.23Å; L451-Y453 HydrophobicContact CG-CE2 4.34Å; L451-R468 WeakPolarHBondContact O-CD 3.47Å; L451-R468 PolarHBondContact O-NE 2.8Å; L451-R468 PolarHBondContact O-NH1 3.36Å; L451-H532 PolarHBondContact O-CE1 3.39Å; L451-H532 PolarHBondContact O-NE2 3.37Å; L451-L535 HydrophobicContact CD2-CD1 4.48Å
452	T	97.1	Very high	96	Very high	43 Å²	43	53.8 Å²	53.8	26%	0.264	27%	0.268	S	S	.	.			trans	-153	144.8	173.6	-179.3	0	0	0	0	108.8	N450 N454 T464	N450-T452 PolarHBondContact O-N 2.89Å; N450-T452 VanDerWaalsContact O-N 3.13Å; T452-N454 VanDerWaalsContact CG2-OD1 3.3Å; T452-N454 WeakPolarHBondContact CG2-OD1 3.3Å; T452-N454 PolarHBondContact OG1-N 3.26Å; T452-N454 PolarHBondContact OG1-OD1 3.43Å; T452-T464 PolarHBondContact OG1-OG1 2.91Å
453	Y	96.3	Very high	95.8	Very high	112 Å²	112	55.6 Å²	55.6	44%	0.439	28%	0.277	S	S	.	.			trans	-107.4	13.2	168.9	-57.9	-78.8	0	0	0	111.2	H167 L451 R455	H167-Y453 AromaticContact CE1-CE2 3.72Å; H167-Y453 AromaticContact ND1-CE2 3.31Å; H167-Y453 VanDerWaalsContact ND1-CE2 3.31Å; H167-Y453 WeakPolarHBondContact ND1-CE2 3.27Å; H167-Y453 AromaticContact ND1-CZ 3.52Å; H167-Y453 PolarHBondContact ND1-OH 3.49Å; L451-Y453 HydrophobicContact CD1-CE2 4.23Å; L451-Y453 HydrophobicContact CG-CE2 4.34Å; Y453-R455 PolarHBondContact O-N 2.92Å
454	N	96.1	Very high	95.7	Very high	77 Å²	77	53.1 Å²	53.1	41%	0.412	27%	0.267	S	S	.	.	S	Bend	trans	44.9	48.8	-172.6	-60.9	-27	0	0	0	111.6	T452 E460 D461 V462	T452-N454 VanDerWaalsContact CG2-OD1 3.3Å; T452-N454 WeakPolarHBondContact CG2-OD1 3.3Å; T452-N454 PolarHBondContact OG1-N 3.26Å; T452-N454 PolarHBondContact OG1-OD1 3.43Å; N454-E460 CarbonylContact O-C 3.58Å; N454-D461 WeakPolarHBondContact O-CA 3.4Å; N454-D461 PolarHBondContact O-N 3.33Å; N454-V462 CarbonylContact C-O 3.02Å; N454-V462 VanDerWaalsContact C-O 3.25Å; N454-V462 WeakPolarHBondContact CA-O 3.25Å; N454-V462 PolarHBondContact O-N 3.49Å
455	R	93.9	Very high	95.6	Very high	94 Å²	94	58.3 Å²	58.3	36%	0.355	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	142.7	-170.6	-166.5	-177.7	-75.6	-151.9	-6.9	109.7	Y453 H459 E460 R526	Y453-R455 PolarHBondContact O-N 2.92Å; R455-H459 CarbonylContact C-O 3.46Å; R455-H459 VanDerWaalsContact CA-O 3.28Å; R455-H459 WeakPolarHBondContact CA-O 3.31Å; R455-H459 WeakPolarHBondContact CG-O 3.44Å; R455-E460 IonicContact CZ-OE1 2.66Å; R455-E460 IonicContact NE-OE1 3.06Å; R455-E460 IonicContact NH2-OE1 3.84Å; R455-E460 PolarHBondContact NH2-OE1 3.01Å; R455-R526 VanDerWaalsContact CD-CZ 3.41Å; R455-R526 VanDerWaalsContact CD-NH1 3.32Å
456	M	94.9	Very high	95.5	Very high	3 Å²	3	58.7 Å²	58.7	2%	0.015	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	111	174.2	-177.3	169.4	-65.9	0	0	109.5	V341 L344 M345 M348 M458 H459 V462 T464 L467 F525 E529	V341-M456 HydrophobicContact CG1-CG 3.82Å; V341-M456 HydrophobicContact CG1-SD 4.15Å; L344-M456 HydrophobicContact CD2-SD 4.05Å; L344-M456 HydrophobicContact CG-SD 4.32Å; M345-M456 HydrophobicContact CG-SD 3.67Å; M348-M456 HydrophobicContact CE-CE 3.92Å; M348-M456 HydrophobicContact SD-CE 3.45Å; M348-M456 WeakPolarHBondContact SD-CE 3.38Å; M348-M456 HydrophobicContact SD-SD 4.27Å; M456-M458 PolarHBondContact O-N 3.43Å; M456-H459 PolarHBondContact N-O 3.32Å; M456-H459 WeakPolarHBondContact O-CB 3.21Å; M456-H459 PolarHBondContact O-N 3.31Å; M456-V462 HydrophobicContact CB-CB 4.23Å; M456-V462 HydrophobicContact CB-CG1 4.09Å; M456-V462 HydrophobicContact CB-CG2 4.29Å; M456-V462 HydrophobicContact CE-CG1 4.46Å; M456-T464 HydrophobicContact CE-CG2 4Å; M456-L467 HydrophobicContact CE-CD2 3.51Å; M456-F525 HydrophobicContact CG-CE1 3.59Å; M456-F525 HydrophobicContact CG-CZ 3.71Å; M456-F525 HydrophobicContact SD-CE1 4.34Å; M456-F525 HydrophobicContact SD-CZ 4.07Å; M456-E529 WeakPolarHBondContact CA-OE1 3.43Å
457	A	93.3	Very high	95.4	Very high	3 Å²	3	55.6 Å²	55.6	3%	0.025	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	-120.5	-169.8	0	0	0	0	0	110.2	V341 H524 F525 R526 E529	V341-A457 HydrophobicContact CG1-CB 4.12Å; V341-A457 HydrophobicContact CG2-CB 4.03Å; A457-H524 WeakPolarHBondContact CB-O 3.3Å; A457-F525 HydrophobicContact CB-CD2 4.43Å; A457-F525 HydrophobicContact CB-CG 4.32Å; A457-R526 PolarHBondContact O-NH1 3.13Å; A457-R526 PolarHBondContact O-NH2 2.97Å; A457-E529 WeakPolarHBondContact CA-OE2 3.27Å; A457-E529 PolarHBondContact N-OE1 2.94Å; A457-E529 PolarHBondContact N-OE2 2.91Å
458	M	91.1	Very high	95.4	Very high	100 Å²	100	55.1 Å²	55.1	49%	0.493	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-10	178.2	55.3	-75.2	-155.8	0	0	114.8	A338 V341 M456	A338-M458 HydrophobicContact CB-CE 3.6Å; V341-M458 HydrophobicContact CG2-CE 4.48Å; M456-M458 PolarHBondContact O-N 3.43Å
459	H	93	Very high	95.4	Very high	43 Å²	43	58.1 Å²	58.1	20%	0.199	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	131.8	-177.3	-58.9	-92.3	0	0	0	111.3	E342 M345 R455 M456 V462	E342-H459 IonicContact OE1-CE1 3.79Å; M345-H459 HydrophobicContact CE-CB 4.11Å; M345-H459 HydrophobicContact SD-CB 3.84Å; R455-H459 CarbonylContact C-O 3.46Å; R455-H459 VanDerWaalsContact CA-O 3.28Å; R455-H459 WeakPolarHBondContact CA-O 3.31Å; R455-H459 WeakPolarHBondContact CG-O 3.44Å; M456-H459 PolarHBondContact N-O 3.32Å; M456-H459 WeakPolarHBondContact O-CB 3.21Å; M456-H459 PolarHBondContact O-N 3.31Å; H459-V462 HydrophobicContact CB-CG2 3.85Å
460	E	94.3	Very high	95.5	Very high	121 Å²	121	56.3 Å²	56.3	57%	0.565	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	167.5	174.6	-58.6	-172.8	159.5	0	0	110.7	N454 R455 V462	N454-E460 CarbonylContact O-C 3.58Å; R455-E460 IonicContact CZ-OE1 2.66Å; R455-E460 IonicContact NE-OE1 3.06Å; R455-E460 IonicContact NH2-OE1 3.84Å; R455-E460 PolarHBondContact NH2-OE1 3.01Å; E460-V462 VanDerWaalsContact C-N 3.29Å; E460-V462 WeakPolarHBondContact O-CG2 3.35Å; E460-V462 PolarHBondContact O-N 2.85Å
461	D	95.2	Very high	95.6	Very high	152 Å²	152	51.7 Å²	51.7	81%	0.813	25%	0.245	S	C	*	.	S	Bend	trans	56.7	36.3	-179.2	-57.4	-43.7	0	0	0	114.7	N454	N454-D461 WeakPolarHBondContact O-CA 3.4Å; N454-D461 PolarHBondContact O-N 3.33Å
462	V	95.6	Very high	95.6	Very high	13 Å²	13	52 Å²	52	8%	0.079	25%	0.246	C	C	.	.			trans	-101.9	120.7	178.7	-173.3	0	0	0	0	110.4	M345 N454 M456 H459 E460 T464	M345-V462 HydrophobicContact CE-CB 4.46Å; M345-V462 HydrophobicContact CE-CG1 4.16Å; M345-V462 HydrophobicContact CE-CG2 3.45Å; M345-V462 VanDerWaalsContact CE-CG2 3.45Å; M345-V462 HydrophobicContact CG-CG1 4.37Å; M345-V462 HydrophobicContact SD-CG2 4.15Å; N454-V462 CarbonylContact C-O 3.02Å; N454-V462 VanDerWaalsContact C-O 3.25Å; N454-V462 WeakPolarHBondContact CA-O 3.25Å; N454-V462 PolarHBondContact O-N 3.49Å; M456-V462 HydrophobicContact CB-CB 4.23Å; M456-V462 HydrophobicContact CB-CG1 4.09Å; M456-V462 HydrophobicContact CB-CG2 4.29Å; M456-V462 HydrophobicContact CE-CG1 4.46Å; H459-V462 HydrophobicContact CB-CG2 3.85Å; E460-V462 VanDerWaalsContact C-N 3.29Å; E460-V462 WeakPolarHBondContact O-CG2 3.35Å; E460-V462 PolarHBondContact O-N 2.85Å; V462-T464 HydrophobicContact CG1-CG2 4.39Å; V462-T464 PolarHBondContact O-N 3.42Å
463	D	94.9	Very high	95.6	Very high	84 Å²	84	50 Å²	50	45%	0.449	23%	0.233	S	C	.	.			trans	-71.6	116.9	167.4	-179	10.7	0	0	0	110	M348 Y465	M348-D463 WeakPolarHBondContact CE-O 3.38Å; D463-Y465 VanDerWaalsContact OD1-CB 3.27Å; D463-Y465 WeakPolarHBondContact OD1-CB 3.3Å; D463-Y465 PolarHBondContact OD1-N 3.27Å
464	T	96.1	Very high	95.7	Very high	13 Å²	13	44.9 Å²	44.9	8%	0.08	21%	0.213	C	C	.	.			trans	-101.4	3.7	-177.2	59.5	0	0	0	0	113.6	T452 M456 V462 T466 L467 R468	T452-T464 PolarHBondContact OG1-OG1 2.91Å; M456-T464 HydrophobicContact CE-CG2 4Å; V462-T464 HydrophobicContact CG1-CG2 4.39Å; V462-T464 PolarHBondContact O-N 3.42Å; T464-T466 PolarHBondContact O-N 3.24Å; T464-L467 PolarHBondContact O-N 2.93Å; T464-L467 VanDerWaalsContact O-N 3.16Å; T464-R468 WeakPolarHBondContact O-CG 3.2Å; T464-R468 PolarHBondContact O-N 3.45Å; T464-R468 PolarHBondContact OG1-NE 2.88Å
465	Y	95.4	Very high	95.8	Very high	109 Å²	109	41.2 Å²	41.2	43%	0.427	19%	0.194	S	C	.	.	H	α-helix	trans	-52.5	-49.9	-174.2	176	-103.5	0	0	0	112.8	D463 L467 R468 K469	D463-Y465 VanDerWaalsContact OD1-CB 3.27Å; D463-Y465 WeakPolarHBondContact OD1-CB 3.3Å; D463-Y465 PolarHBondContact OD1-N 3.27Å; Y465-L467 VanDerWaalsContact C-N 3.31Å; Y465-L467 PolarHBondContact O-N 3.29Å; Y465-R468 PolarHBondContact O-N 2.64Å; Y465-K469 WeakPolarHBondContact O-CB 3.48Å; Y465-K469 PolarHBondContact O-N 3.44Å
466	T	94.8	Very high	96	Very high	12 Å²	12	36.7 Å²	36.7	7%	0.074	18%	0.177	C	C	.	.	H	α-helix	trans	-59.6	-40.8	-178.2	-44.3	0	0	0	0	112.2	Q352 T464 A470 L494	Q352-T466 PolarHBondContact NE2-OG1 3.02Å; T464-T466 PolarHBondContact O-N 3.24Å; T466-A470 WeakPolarHBondContact O-CB 3.4Å; T466-A470 PolarHBondContact O-N 3.12Å; T466-L494 HydrophobicContact CG2-CD1 3.72Å
467	L	97.1	Very high	96	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.031	18%	0.176	C	C	.	.	H	α-helix	trans	-67.9	-44.1	178.1	179.2	62.2	0	0	0	111.9	L344 M348 M456 T464 Y465 A470 L471 L494 L495 W522	L344-L467 HydrophobicContact CD2-CD2 4.25Å; M348-L467 HydrophobicContact CE-CB 4.18Å; M348-L467 HydrophobicContact SD-CB 4.13Å; M456-L467 HydrophobicContact CE-CD2 3.51Å; T464-L467 PolarHBondContact O-N 2.93Å; T464-L467 VanDerWaalsContact O-N 3.16Å; Y465-L467 VanDerWaalsContact C-N 3.31Å; Y465-L467 PolarHBondContact O-N 3.29Å; L467-A470 PolarHBondContact O-N 2.95Å; L467-L471 PolarHBondContact O-N 3.39Å; L467-L494 HydrophobicContact CD1-CB 4.13Å; L467-L495 HydrophobicContact CD1-CD2 3.72Å; L467-W522 HydrophobicContact CD1-CZ2 4.41Å; L467-W522 HydrophobicContact CD2-CH2 4.42Å; L467-W522 HydrophobicContact CD2-CZ2 3.92Å; L467-W522 HydrophobicContact CG-CZ2 4.4Å
468	R	97.8	Very high	96.1	Very high	24 Å²	24	37.2 Å²	37.2	9%	0.091	18%	0.179	C	C	.	.	H	α-helix	trans	-66.2	-40.9	178.6	-67.5	-178.3	-66.8	101.4	-1.7	111.5	S449 L451 T464 Y465 L471 W472 I536	S449-R468 PolarHBondContact O-NH1 3.49Å; L451-R468 WeakPolarHBondContact O-CD 3.47Å; L451-R468 PolarHBondContact O-NE 2.8Å; L451-R468 PolarHBondContact O-NH1 3.36Å; T464-R468 WeakPolarHBondContact O-CG 3.2Å; T464-R468 PolarHBondContact O-N 3.45Å; T464-R468 PolarHBondContact OG1-NE 2.88Å; Y465-R468 PolarHBondContact O-N 2.64Å; R468-L471 WeakPolarHBondContact O-CB 3.24Å; R468-L471 PolarHBondContact O-N 3.27Å; R468-W472 PolarHBondContact O-N 2.97Å; R468-I536 HydrophobicContact CB-CD1 4Å; R468-I536 HydrophobicContact CG-CD1 3.85Å
469	K	96.9	Very high	96.3	Very high	63 Å²	63	32.5 Å²	32.5	27%	0.274	16%	0.156	S	C	.	.	H	α-helix	trans	-64.2	-39.7	174.5	-168	69.6	176	-173	0	111.8	Y465 W472 N473 Y486	Y465-K469 WeakPolarHBondContact O-CB 3.48Å; Y465-K469 PolarHBondContact O-N 3.44Å; K469-W472 PolarHBondContact O-N 2.93Å; K469-N473 WeakPolarHBondContact O-CB 3.44Å; K469-N473 PolarHBondContact O-N 2.96Å; K469-Y486 HydrophobicContact CG-CE2 4.31Å
470	A	97.8	Very high	96.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.2	-39.6	175.3	0	0	0	0	0	113.1	T466 L467 Y474 Y486 L494 L495	T466-A470 WeakPolarHBondContact O-CB 3.4Å; T466-A470 PolarHBondContact O-N 3.12Å; L467-A470 PolarHBondContact O-N 2.95Å; A470-Y474 WeakPolarHBondContact O-CB 3.48Å; A470-Y474 PolarHBondContact O-N 2.93Å; A470-Y486 WeakPolarHBondContact CA-OH 3.5Å; A470-Y486 WeakPolarHBondContact CB-OH 3.45Å; A470-L494 HydrophobicContact CB-CB 4.4Å; A470-L494 HydrophobicContact CB-CD1 3.8Å; A470-L495 HydrophobicContact CB-CD2 4.36Å
471	L	97.9	Very high	96.5	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-58.3	-58.3	170.4	-80.9	168.7	0	0	0	110.7	L467 R468 N473 Y474 I475 L495 L499 V503 W522 A533 I536	L467-L471 PolarHBondContact O-N 3.39Å; R468-L471 WeakPolarHBondContact O-CB 3.24Å; R468-L471 PolarHBondContact O-N 3.27Å; L471-N473 VanDerWaalsContact C-N 3.35Å; L471-N473 PolarHBondContact O-N 3.35Å; L471-Y474 WeakPolarHBondContact O-CB 3.38Å; L471-Y474 PolarHBondContact O-N 3.43Å; L471-Y474 VanDerWaalsContact O-N 3.08Å; L471-I475 WeakPolarHBondContact O-CD1 3.35Å; L471-I475 PolarHBondContact O-N 3.22Å; L471-L495 HydrophobicContact CD2-CD1 3.99Å; L471-L495 HydrophobicContact CD2-CD2 3.94Å; L471-L495 HydrophobicContact CG-CD1 4.47Å; L471-L495 HydrophobicContact CG-CD2 3.87Å; L471-L499 HydrophobicContact CD2-CD1 4.24Å; L471-L499 HydrophobicContact CD2-CD2 4.04Å; L471-L499 HydrophobicContact CD2-CG 4.19Å; L471-V503 HydrophobicContact CD2-CG2 3.73Å; L471-W522 HydrophobicContact CD1-CH2 3.95Å; L471-W522 HydrophobicContact CD1-CZ2 4.39Å; L471-A533 HydrophobicContact CD1-CB 4.31Å; L471-I536 HydrophobicContact CB-CG2 3.98Å; L471-I536 HydrophobicContact CD1-CD1 4.36Å
472	W	98.5	Very high	96.5	Very high	20 Å²	20	19 Å²	19	8%	0.076	9%	0.086	C	C	.	.	H	α-helix	trans	-50.8	-52.5	-179.5	-174.6	-79	0	0	0	112.5	F445 V448 R468 K469 Y474 I475 H476 I536 E539 A540 Q543	F445-W472 HydrophobicContact CD1-CH2 4.16Å; V448-W472 HydrophobicContact CG1-CE3 4.37Å; V448-W472 HydrophobicContact CG1-CZ3 3.71Å; R468-W472 PolarHBondContact O-N 2.97Å; K469-W472 PolarHBondContact O-N 2.93Å; W472-Y474 VanDerWaalsContact C-N 3.29Å; W472-Y474 PolarHBondContact O-N 2.96Å; W472-I475 PolarHBondContact O-N 3.32Å; W472-H476 AromaticContact CE2-CE1 3.99Å; W472-H476 AromaticContact CE2-NE2 3.85Å; W472-H476 AromaticContact CZ2-NE2 3.95Å; W472-H476 AromaticContact NE1-CD2 3.99Å; W472-H476 AromaticContact NE1-CE1 3.35Å; W472-H476 PolarHBondContact NE1-CE1 3.15Å; W472-H476 VanDerWaalsContact NE1-CE1 3.35Å; W472-H476 AromaticContact NE1-ND1 3.7Å; W472-H476 AromaticContact NE1-NE2 3.54Å; W472-H476 PolarHBondContact O-N 3.16Å; W472-I536 HydrophobicContact CB-CG2 4.34Å; W472-I536 HydrophobicContact CE3-CG2 4.25Å; W472-E539 HydrophobicContact CH2-CB 4.1Å; W472-E539 HydrophobicContact CZ3-CB 3.79Å; W472-A540 HydrophobicContact CD2-CB 3.72Å; W472-A540 HydrophobicContact CE3-CB 3.73Å; W472-A540 HydrophobicContact CG-CB 4.24Å; W472-A540 HydrophobicContact CH2-CB 4.23Å; W472-A540 HydrophobicContact CZ2-CB 4.22Å; W472-A540 HydrophobicContact CZ3-CB 4Å; W472-Q543 HydrophobicContact CH2-CB 4.42Å; W472-Q543 HydrophobicContact CZ2-CB 4.1Å; W472-Q543 HydrophobicContact CZ2-CG 4.47Å
473	N	97.9	Very high	96.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-68.7	-29.2	-177.4	-71.3	1.6	0	0	0	112.3	K469 L471 C477 Y483 Y486 Y488	K469-N473 WeakPolarHBondContact O-CB 3.44Å; K469-N473 PolarHBondContact O-N 2.96Å; L471-N473 VanDerWaalsContact C-N 3.35Å; L471-N473 PolarHBondContact O-N 3.35Å; N473-C477 VanDerWaalsContact O-CB 3.3Å; N473-C477 WeakPolarHBondContact O-CB 3.47Å; N473-C477 PolarHBondContact O-N 2.66Å; N473-Y483 WeakPolarHBondContact OD1-CE2 3.4Å; N473-Y486 HydrophobicContact CB-CD1 3.81Å; N473-Y486 HydrophobicContact CB-CE1 3.54Å; N473-Y486 HydrophobicContact CB-CG 4.44Å; N473-Y486 WeakPolarHBondContact ND2-CD1 3.1Å; N473-Y486 WeakPolarHBondContact ND2-CD2 3.48Å; N473-Y486 WeakPolarHBondContact ND2-CE1 3.2Å; N473-Y486 WeakPolarHBondContact ND2-CE2 3.27Å; N473-Y488 HydrophobicContact CB-CE1 4.32Å
474	Y	97.8	Very high	96.4	Very high	4 Å²	4	16.9 Å²	16.9	2%	0.016	7%	0.072	C	C	.	.	H	α-helix	trans	-66.5	-42.9	172	178.2	-122.1	0	0	0	112.1	Q372 I377 A470 L471 W472 C477 L478 V491 L495 K500 V503	Q372-Y474 HydrophobicContact CG-CD2 4.27Å; Q372-Y474 HydrophobicContact CG-CE2 4.49Å; Q372-Y474 VanDerWaalsContact NE2-CE2 3.32Å; I377-Y474 WeakPolarHBondContact CD1-OH 3.47Å; A470-Y474 WeakPolarHBondContact O-CB 3.48Å; A470-Y474 PolarHBondContact O-N 2.93Å; L471-Y474 WeakPolarHBondContact O-CB 3.38Å; L471-Y474 PolarHBondContact O-N 3.43Å; L471-Y474 VanDerWaalsContact O-N 3.08Å; W472-Y474 VanDerWaalsContact C-N 3.29Å; W472-Y474 PolarHBondContact O-N 2.96Å; Y474-C477 WeakPolarHBondContact O-CB 3.09Å; Y474-C477 PolarHBondContact O-N 3.12Å; Y474-L478 HydrophobicContact CE1-CD1 4.07Å; Y474-L478 HydrophobicContact CE1-CG 4.47Å; Y474-L478 HydrophobicContact CE2-CD2 4.08Å; Y474-L478 HydrophobicContact CE2-CG 4.22Å; Y474-L478 WeakPolarHBondContact O-CG 3.45Å; Y474-L478 PolarHBondContact O-N 2.96Å; Y474-V491 HydrophobicContact CD2-CG1 3.8Å; Y474-V491 HydrophobicContact CG-CG1 3.91Å; Y474-L495 HydrophobicContact CD1-CD1 3.84Å; Y474-L495 HydrophobicContact CG-CD1 3.96Å; Y474-K500 HydrophobicContact CE1-CB 4Å; Y474-K500 HydrophobicContact CE1-CG 4.07Å; Y474-V503 HydrophobicContact CD1-CB 4.38Å; Y474-V503 HydrophobicContact CD1-CG1 3.77Å; Y474-V503 HydrophobicContact CE1-CB 4.21Å; Y474-V503 HydrophobicContact CE1-CG1 3.87Å
475	I	97.6	Very high	96.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61	-48	174	-65.7	112.2	0	0	0	110.4	L471 W472 C477 L478 Y479 V503 I536 V537 A540 R541	L471-I475 WeakPolarHBondContact O-CD1 3.35Å; L471-I475 PolarHBondContact O-N 3.22Å; W472-I475 PolarHBondContact O-N 3.32Å; I475-C477 VanDerWaalsContact C-N 3.26Å; I475-C477 PolarHBondContact O-N 3.28Å; I475-L478 WeakPolarHBondContact O-CB 3.36Å; I475-L478 PolarHBondContact O-N 3.39Å; I475-L478 VanDerWaalsContact O-N 3.07Å; I475-Y479 HydrophobicContact CG2-CD2 4.18Å; I475-Y479 HydrophobicContact CG2-CE2 4.22Å; I475-Y479 WeakPolarHBondContact O-CD2 3.25Å; I475-Y479 PolarHBondContact O-N 3.05Å; I475-V503 HydrophobicContact CD1-CG1 3.94Å; I475-V503 HydrophobicContact CG1-CG1 3.58Å; I475-I536 HydrophobicContact CD1-CG2 4.48Å; I475-V537 HydrophobicContact CD1-CB 4.32Å; I475-V537 HydrophobicContact CD1-CG2 3.78Å; I475-V537 HydrophobicContact CG1-CG1 4.42Å; I475-V537 HydrophobicContact CG1-CG2 4.23Å; I475-A540 HydrophobicContact CB-CB 3.85Å; I475-A540 HydrophobicContact CD1-CB 4.23Å; I475-A540 HydrophobicContact CG1-CB 4.44Å; I475-A540 HydrophobicContact CG2-CB 3.77Å; I475-R541 HydrophobicContact CG2-CB 4.46Å
476	H	97.9	Very high	96	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-59.1	-36.7	176.1	-85.4	-151.5	0	0	0	112.7	W472 Y479 G480 I481 Y483 A540 Q543	W472-H476 AromaticContact CE2-CE1 3.99Å; W472-H476 AromaticContact CE2-NE2 3.85Å; W472-H476 AromaticContact CZ2-NE2 3.95Å; W472-H476 AromaticContact NE1-CD2 3.99Å; W472-H476 AromaticContact NE1-CE1 3.35Å; W472-H476 PolarHBondContact NE1-CE1 3.15Å; W472-H476 VanDerWaalsContact NE1-CE1 3.35Å; W472-H476 AromaticContact NE1-ND1 3.7Å; W472-H476 AromaticContact NE1-NE2 3.54Å; W472-H476 PolarHBondContact O-N 3.16Å; H476-Y479 CarbonylContact O-C 3.59Å; H476-Y479 PolarHBondContact O-N 3.19Å; H476-Y479 VanDerWaalsContact O-N 3.15Å; H476-G480 PolarHBondContact O-N 2.79Å; H476-G480 VanDerWaalsContact O-N 3.08Å; H476-I481 CarbonylContact C-O 2.84Å; H476-I481 HydrophobicContact CB-CB 4.03Å; H476-I481 HydrophobicContact CB-CG2 4.5Å; H476-I481 PolarHBondContact O-N 3.41Å; H476-Y483 HydrophobicContact CB-CE2 4.06Å; H476-Y483 PolarHBondContact CE1-OH 2.72Å; H476-Y483 AromaticContact ND1-CE2 3.5Å; H476-Y483 WeakPolarHBondContact ND1-CE2 3.41Å; H476-Y483 AromaticContact ND1-CZ 3.54Å; H476-Y483 PolarHBondContact ND1-OH 3.06Å; H476-A540 PolarHBondContact CD2-O 2.99Å; H476-A540 PolarHBondContact NE2-O 3.04Å; H476-Q543 PolarHBondContact CE1-OE1 2.71Å
477	C	95.9	Very high	95.9	Very high	1 Å²	1	19 Å²	19	1%	0.007	9%	0.088	C	C	.	.	H	α-helix	trans	-62	-41.7	172.9	-176.2	0	0	0	0	112.7	F369 N473 Y474 I475 Y479 G480 Y488	F369-C477 HydrophobicContact CE2-CB 4.11Å; N473-C477 VanDerWaalsContact O-CB 3.3Å; N473-C477 WeakPolarHBondContact O-CB 3.47Å; N473-C477 PolarHBondContact O-N 2.66Å; Y474-C477 WeakPolarHBondContact O-CB 3.09Å; Y474-C477 PolarHBondContact O-N 3.12Å; I475-C477 VanDerWaalsContact C-N 3.26Å; I475-C477 PolarHBondContact O-N 3.28Å; C477-Y479 PolarHBondContact O-N 3.26Å; C477-G480 PolarHBondContact O-N 3.02Å; C477-Y488 HydrophobicContact CB-CD1 4.27Å; C477-Y488 HydrophobicContact CB-CE1 3.77Å
478	L	94.5	Very high	95.7	Very high	15 Å²	15	18.8 Å²	18.8	8%	0.079	9%	0.087	C	C	.	.	H	α-helix	trans	-59.7	-28	174.8	-67.2	174.2	0	0	0	112.6	Y401 Y474 I475 K504	Y401-L478 PolarHBondContact OH-O 2.96Å; Y474-L478 HydrophobicContact CE1-CD1 4.07Å; Y474-L478 HydrophobicContact CE1-CG 4.47Å; Y474-L478 HydrophobicContact CE2-CD2 4.08Å; Y474-L478 HydrophobicContact CE2-CG 4.22Å; Y474-L478 WeakPolarHBondContact O-CG 3.45Å; Y474-L478 PolarHBondContact O-N 2.96Å; I475-L478 WeakPolarHBondContact O-CB 3.36Å; I475-L478 PolarHBondContact O-N 3.39Å; I475-L478 VanDerWaalsContact O-N 3.07Å; L478-K504 HydrophobicContact CD1-CB 4.05Å; L478-K504 HydrophobicContact CD1-CG 4.08Å; L478-K504 HydrophobicContact CD2-CD 4.14Å; L478-K504 HydrophobicContact CD2-CG 4.11Å
479	Y	95.2	Very high	95.4	Very high	1 Å²	1	18.7 Å²	18.7	0%	0.004	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	1.8	176.3	-75.7	-81.9	0	0	0	113.7	P251 W252 Y401 F404 I475 H476 C477 A507 R541 A544 Y548	P251-Y479 HydrophobicContact CG-CD1 3.52Å; P251-Y479 HydrophobicContact CG-CE1 3.8Å; W252-Y479 HydrophobicContact CE3-CD1 4.06Å; W252-Y479 AromaticContact CZ3-CD1 3.66Å; W252-Y479 HydrophobicContact CZ3-CD1 3.66Å; W252-Y479 HydrophobicContact CZ3-CE1 4.21Å; W252-Y479 HydrophobicContact CZ3-CG 4.48Å; Y401-Y479 HydrophobicContact CE2-CE1 4.43Å; F404-Y479 VanDerWaalsContact CD2-O 3.29Å; F404-Y479 WeakPolarHBondContact CD2-O 3.25Å; F404-Y479 WeakPolarHBondContact CE2-O 3.33Å; I475-Y479 HydrophobicContact CG2-CD2 4.18Å; I475-Y479 HydrophobicContact CG2-CE2 4.22Å; I475-Y479 WeakPolarHBondContact O-CD2 3.25Å; I475-Y479 PolarHBondContact O-N 3.05Å; H476-Y479 CarbonylContact O-C 3.59Å; H476-Y479 PolarHBondContact O-N 3.19Å; H476-Y479 VanDerWaalsContact O-N 3.15Å; C477-Y479 PolarHBondContact O-N 3.26Å; Y479-A507 HydrophobicContact CE2-CB 4.39Å; Y479-A507 PolarHBondContact OH-O 3.33Å; Y479-R541 HydrophobicContact CE2-CG 4.12Å; Y479-R541 PolarHBondContact OH-NE 3.45Å; Y479-R541 VanDerWaalsContact OH-NE 3.11Å; Y479-A544 HydrophobicContact CD2-CB 4.29Å; Y479-A544 HydrophobicContact CG-CB 4.12Å; Y479-Y548 WeakPolarHBondContact O-CE2 3.26Å; Y479-Y548 PolarHBondContact O-OH 3.06Å
480	G	94.9	Very high	95.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	23.2	176.6	0	0	0	0	0	115.5	M415 H476 C477 Y548	M415-G480 PolarHBondContact N-O 3.5Å; H476-G480 PolarHBondContact O-N 2.79Å; H476-G480 VanDerWaalsContact O-N 3.08Å; C477-G480 PolarHBondContact O-N 3.02Å; G480-Y548 PolarHBondContact O-OH 2.63Å
481	I	96.8	Very high	95	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	123.4	175.5	-50.8	-178.4	0	0	0	109.2	M415 A417 H476 Y488 A544 L547 Y548	M415-I481 HydrophobicContact CE-CB 4.33Å; M415-I481 HydrophobicContact CE-CD1 3.5Å; M415-I481 VanDerWaalsContact CE-CD1 3.5Å; M415-I481 HydrophobicContact CE-CG1 3.59Å; M415-I481 HydrophobicContact CE-CG2 3.96Å; M415-I481 CarbonylContact O-C 3.38Å; M415-I481 WeakPolarHBondContact O-CA 3.49Å; A417-I481 HydrophobicContact CB-CG2 4.31Å; H476-I481 CarbonylContact C-O 2.84Å; H476-I481 HydrophobicContact CB-CB 4.03Å; H476-I481 HydrophobicContact CB-CG2 4.5Å; H476-I481 PolarHBondContact O-N 3.41Å; I481-Y488 PolarHBondContact O-OH 3.14Å; I481-A544 HydrophobicContact CD1-CB 3.67Å; I481-L547 HydrophobicContact CD1-CD1 4.31Å; I481-Y548 HydrophobicContact CD1-CE2 3.97Å; I481-Y548 HydrophobicContact CG1-CE2 3.83Å
482	R	95.8	Very high	94.7	Very high	33 Å²	33	19.2 Å²	19.2	13%	0.125	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132.2	-179.4	-171.1	-176.7	74.8	-160.6	6.8	111.7	V366 F369 T414 M415 R416 A417 D484 Y488	V366-R482 VanDerWaalsContact CG2-NH1 3.29Å; F369-R482 HydrophobicContact CB-CG 4.16Å; F369-R482 HydrophobicContact CD1-CB 4.32Å; F369-R482 HydrophobicContact CD1-CG 4.12Å; F369-R482 HydrophobicContact CD2-CB 3.91Å; F369-R482 HydrophobicContact CD2-CG 3.65Å; F369-R482 HydrophobicContact CE1-CB 4.15Å; F369-R482 HydrophobicContact CE1-CG 4.46Å; F369-R482 HydrophobicContact CE2-CB 3.69Å; F369-R482 HydrophobicContact CE2-CG 4Å; F369-R482 HydrophobicContact CG-CB 4.2Å; F369-R482 HydrophobicContact CG-CG 3.69Å; F369-R482 HydrophobicContact CZ-CB 3.82Å; F369-R482 HydrophobicContact CZ-CG 4.39Å; T414-R482 HydrophobicContact CG2-CB 3.7Å; M415-R482 PolarHBondContact O-N 3.16Å; R416-R482 WeakPolarHBondContact CA-O 3.47Å; A417-R482 WeakPolarHBondContact CB-O 3.46Å; A417-R482 PolarHBondContact N-O 3.43Å; R482-D484 IonicContact CZ-OD1 3.79Å; R482-D484 VanDerWaalsContact CZ-OD1 3.23Å; R482-D484 IonicContact NE-OD1 3.52Å; R482-D484 PolarHBondContact NE-OD1 2.83Å; R482-D484 IonicContact NH2-OD1 3.97Å; R482-D484 PolarHBondContact NH2-OD1 2.92Å; R482-D484 IonicContact NH2-OD2 3.94Å; R482-Y488 WeakPolarHBondContact CA-OH 3.22Å; R482-Y488 HydrophobicContact CG-CE2 3.91Å
483	Y	95.4	Very high	94.4	Very high	37 Å²	37	20.7 Å²	20.7	15%	0.145	11%	0.111	C	C	.	.			trans	-96.3	115.2	166.3	-64.7	-85.9	0	0	0	109.4	A417 N473 H476 D485 Y486 Y488	A417-Y483 HydrophobicContact CB-CD1 3.43Å; A417-Y483 VanDerWaalsContact CB-CD1 3.43Å; A417-Y483 HydrophobicContact CB-CE1 3.5Å; A417-Y483 VanDerWaalsContact CB-CE1 3.5Å; A417-Y483 HydrophobicContact CB-CG 4.09Å; N473-Y483 WeakPolarHBondContact OD1-CE2 3.4Å; H476-Y483 HydrophobicContact CB-CE2 4.06Å; H476-Y483 PolarHBondContact CE1-OH 2.72Å; H476-Y483 AromaticContact ND1-CE2 3.5Å; H476-Y483 WeakPolarHBondContact ND1-CE2 3.41Å; H476-Y483 AromaticContact ND1-CZ 3.54Å; H476-Y483 PolarHBondContact ND1-OH 3.06Å; Y483-D485 PolarHBondContact O-N 2.9Å; Y483-Y486 PolarHBondContact O-N 3.29Å; Y483-Y488 PolarHBondContact N-OH 3.5Å; Y483-Y488 VanDerWaalsContact N-OH 3.09Å
484	D	91.6	Very high	94.3	Very high	16 Å²	16	20.9 Å²	20.9	9%	0.086	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.6	-176.6	-69	-14.1	0	0	0	114.8	Q362 R416 Q418 R482	Q362-D484 PolarHBondContact NE2-O 3.11Å; R416-D484 IonicContact CZ-OD2 2.63Å; R416-D484 IonicContact NE-OD1 3.87Å; R416-D484 IonicContact NE-OD2 2.92Å; R416-D484 PolarHBondContact NE-OD2 3.41Å; R416-D484 IonicContact NH2-OD2 3.78Å; R416-D484 PolarHBondContact NH2-OD2 3.22Å; Q418-D484 PolarHBondContact OE1-OD2 2.93Å; R482-D484 IonicContact CZ-OD1 3.79Å; R482-D484 VanDerWaalsContact CZ-OD1 3.23Å; R482-D484 IonicContact NE-OD1 3.52Å; R482-D484 PolarHBondContact NE-OD1 2.83Å; R482-D484 IonicContact NH2-OD1 3.97Å; R482-D484 PolarHBondContact NH2-OD1 2.92Å; R482-D484 IonicContact NH2-OD2 3.94Å
485	D	90.6	Very high	94.2	Very high	128 Å²	128	21 Å²	21	68%	0.684	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.9	3.7	178.4	62.6	-35.4	0	0	0	113.3	Y483	Y483-D485 PolarHBondContact O-N 2.9Å
486	Y	93.2	Very high	94	Very high	23 Å²	23	24.2 Å²	24.2	9%	0.09	13%	0.128	C	C	.	.	S	Bend	trans	-114.1	126.6	-175	-177.8	-106.2	0	0	0	113.8	M365 K469 A470 N473 Y483 Y488 S490 V491	M365-Y486 VanDerWaalsContact CE-O 3.24Å; M365-Y486 WeakPolarHBondContact CE-O 3.44Å; K469-Y486 HydrophobicContact CG-CE2 4.31Å; A470-Y486 WeakPolarHBondContact CA-OH 3.5Å; A470-Y486 WeakPolarHBondContact CB-OH 3.45Å; N473-Y486 HydrophobicContact CB-CD1 3.81Å; N473-Y486 HydrophobicContact CB-CE1 3.54Å; N473-Y486 HydrophobicContact CB-CG 4.44Å; N473-Y486 WeakPolarHBondContact ND2-CD1 3.1Å; N473-Y486 WeakPolarHBondContact ND2-CD2 3.48Å; N473-Y486 WeakPolarHBondContact ND2-CE1 3.2Å; N473-Y486 WeakPolarHBondContact ND2-CE2 3.27Å; Y483-Y486 PolarHBondContact O-N 3.29Å; Y486-Y488 HydrophobicContact CD1-CD1 4.04Å; Y486-Y488 AromaticContact CD1-CD2 3.86Å; Y486-Y488 HydrophobicContact CD1-CD2 3.86Å; Y486-Y488 AromaticContact CD1-CE1 3.97Å; Y486-Y488 HydrophobicContact CD1-CE1 3.97Å; Y486-Y488 AromaticContact CD1-CE2 3.8Å; Y486-Y488 HydrophobicContact CD1-CE2 3.8Å; Y486-Y488 AromaticContact CD1-CG 3.99Å; Y486-Y488 HydrophobicContact CD1-CG 3.99Å; Y486-Y488 AromaticContact CD1-CZ 3.87Å; Y486-Y488 HydrophobicContact CE1-CD1 4.05Å; Y486-Y488 HydrophobicContact CE1-CE1 4.2Å; Y486-Y488 HydrophobicContact CE1-CG 4.24Å; Y486-Y488 VanDerWaalsContact O-CD2 3.27Å; Y486-Y488 WeakPolarHBondContact O-CD2 3.36Å; Y486-Y488 PolarHBondContact O-N 3.09Å; Y486-S490 PolarHBondContact OH-OG 3.18Å; Y486-V491 HydrophobicContact CE1-CG2 3.94Å
487	D	92.4	Very high	93.8	Very high	26 Å²	26	32.8 Å²	32.8	14%	0.139	16%	0.16	C	C	.	.			trans	-80.8	100.5	177.8	177.2	21.3	0	0	0	111.2	M365 R368 G489 S490	M365-D487 VanDerWaalsContact CE-CA 3.5Å; M365-D487 HydrophobicContact CE-CB 3.91Å; M365-D487 VanDerWaalsContact CE-N 3.25Å; M365-D487 HydrophobicContact SD-CB 3.81Å; R368-D487 WeakPolarHBondContact CD-OD1 3.5Å; R368-D487 IonicContact CZ-OD1 3.21Å; R368-D487 IonicContact NE-OD1 2.65Å; R368-D487 IonicContact NH1-OD1 3.36Å; R368-D487 PolarHBondContact NH1-OD1 3.28Å; R368-D487 IonicContact NH1-OD2 2.93Å; R368-D487 PolarHBondContact NH1-OD2 3.02Å; D487-G489 PolarHBondContact O-N 3.43Å; D487-G489 VanDerWaalsContact O-N 3.14Å; D487-G489 WeakPolarHBondContact OD1-CA 3.45Å; D487-G489 PolarHBondContact OD1-N 2.97Å; D487-S490 WeakPolarHBondContact O-CB 3.45Å; D487-S490 PolarHBondContact O-N 3.11Å; D487-S490 PolarHBondContact O-OG 3.49Å
488	Y	93.7	Very high	93.8	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.008	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-11.4	176.6	-74.2	-88.2	0	0	0	113.9	F369 N473 C477 I481 R482 Y483 Y486 S490 V491	F369-Y488 HydrophobicContact CB-CD2 3.77Å; F369-Y488 HydrophobicContact CB-CE2 4.21Å; F369-Y488 HydrophobicContact CB-CG 4.11Å; F369-Y488 HydrophobicContact CD2-CD1 4.05Å; F369-Y488 AromaticContact CD2-CD2 3.88Å; F369-Y488 HydrophobicContact CD2-CD2 3.88Å; F369-Y488 AromaticContact CD2-CE1 3.82Å; F369-Y488 HydrophobicContact CD2-CE1 3.82Å; F369-Y488 AromaticContact CD2-CE2 3.62Å; F369-Y488 HydrophobicContact CD2-CE2 3.62Å; F369-Y488 HydrophobicContact CD2-CG 4.08Å; F369-Y488 AromaticContact CD2-CZ 3.57Å; F369-Y488 HydrophobicContact CE2-CE1 4.29Å; F369-Y488 HydrophobicContact CE2-CE2 4.48Å; F369-Y488 HydrophobicContact CG-CD2 4.32Å; F369-Y488 HydrophobicContact CG-CE2 4.34Å; N473-Y488 HydrophobicContact CB-CE1 4.32Å; C477-Y488 HydrophobicContact CB-CD1 4.27Å; C477-Y488 HydrophobicContact CB-CE1 3.77Å; I481-Y488 PolarHBondContact O-OH 3.14Å; R482-Y488 WeakPolarHBondContact CA-OH 3.22Å; R482-Y488 HydrophobicContact CG-CE2 3.91Å; Y483-Y488 PolarHBondContact N-OH 3.5Å; Y483-Y488 VanDerWaalsContact N-OH 3.09Å; Y486-Y488 HydrophobicContact CD1-CD1 4.04Å; Y486-Y488 AromaticContact CD1-CD2 3.86Å; Y486-Y488 HydrophobicContact CD1-CD2 3.86Å; Y486-Y488 AromaticContact CD1-CE1 3.97Å; Y486-Y488 HydrophobicContact CD1-CE1 3.97Å; Y486-Y488 AromaticContact CD1-CE2 3.8Å; Y486-Y488 HydrophobicContact CD1-CE2 3.8Å; Y486-Y488 AromaticContact CD1-CG 3.99Å; Y486-Y488 HydrophobicContact CD1-CG 3.99Å; Y486-Y488 AromaticContact CD1-CZ 3.87Å; Y486-Y488 HydrophobicContact CE1-CD1 4.05Å; Y486-Y488 HydrophobicContact CE1-CE1 4.2Å; Y486-Y488 HydrophobicContact CE1-CG 4.24Å; Y486-Y488 VanDerWaalsContact O-CD2 3.27Å; Y486-Y488 WeakPolarHBondContact O-CD2 3.36Å; Y486-Y488 PolarHBondContact O-N 3.09Å; Y488-S490 VanDerWaalsContact C-N 3.25Å; Y488-S490 PolarHBondContact O-N 3.02Å; Y488-V491 HydrophobicContact CD1-CG2 4.29Å; Y488-V491 WeakPolarHBondContact O-CB 3.5Å; Y488-V491 PolarHBondContact O-N 3.27Å
489	G	90.9	Very high	93.9	Very high	22 Å²	22	33.6 Å²	33.6	23%	0.227	17%	0.167	C	C	.	.	H	α-helix	trans	-59.6	-37.1	167.8	0	0	0	0	0	112.4	D487 V491 N492	D487-G489 PolarHBondContact O-N 3.43Å; D487-G489 VanDerWaalsContact O-N 3.14Å; D487-G489 WeakPolarHBondContact OD1-CA 3.45Å; D487-G489 PolarHBondContact OD1-N 2.97Å; G489-V491 PolarHBondContact O-N 2.93Å; G489-N492 PolarHBondContact O-N 2.92Å
490	S	91.8	Very high	94	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.8	-26.7	179.2	68	0	0	0	0	113.4	Y486 D487 Y488 N492 V493 L494	Y486-S490 PolarHBondContact OH-OG 3.18Å; D487-S490 WeakPolarHBondContact O-CB 3.45Å; D487-S490 PolarHBondContact O-N 3.11Å; D487-S490 PolarHBondContact O-OG 3.49Å; Y488-S490 VanDerWaalsContact C-N 3.25Å; Y488-S490 PolarHBondContact O-N 3.02Å; S490-N492 VanDerWaalsContact C-N 3.32Å; S490-N492 PolarHBondContact O-N 2.91Å; S490-V493 PolarHBondContact O-N 2.84Å; S490-V493 VanDerWaalsContact O-N 3.16Å; S490-L494 WeakPolarHBondContact O-CB 3.49Å; S490-L494 WeakPolarHBondContact O-CG 3.31Å; S490-L494 PolarHBondContact O-N 2.92Å
491	V	94.3	Very high	94	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.5	-41.5	178	-178	0	0	0	0	111.4	Y474 Y486 Y488 G489 V493 L495	Y474-V491 HydrophobicContact CD2-CG1 3.8Å; Y474-V491 HydrophobicContact CG-CG1 3.91Å; Y486-V491 HydrophobicContact CE1-CG2 3.94Å; Y488-V491 HydrophobicContact CD1-CG2 4.29Å; Y488-V491 WeakPolarHBondContact O-CB 3.5Å; Y488-V491 PolarHBondContact O-N 3.27Å; G489-V491 PolarHBondContact O-N 2.93Å; V491-V493 VanDerWaalsContact C-N 3.32Å; V491-L495 HydrophobicContact CG1-CB 4.48Å; V491-L495 HydrophobicContact CG1-CD1 3.74Å; V491-L495 HydrophobicContact CG1-CG 4.06Å; V491-L495 VanDerWaalsContact O-CB 3.32Å; V491-L495 WeakPolarHBondContact O-CB 3.46Å; V491-L495 PolarHBondContact O-N 3.15Å
492	N	91.2	Very high	94	Very high	75 Å²	75	35.1 Å²	35.1	40%	0.401	18%	0.176	S	C	.	.	H	α-helix	trans	-77.7	-20.1	179.7	-71.2	-42.6	0	0	0	113.5	Q372 G489 S490 K500	Q372-N492 VanDerWaalsContact OE1-CG 3.24Å; Q372-N492 PolarHBondContact OE1-ND2 3.27Å; Q372-N492 PolarHBondContact OE1-OD1 3.16Å; Q372-N492 VanDerWaalsContact OE1-OD1 3.12Å; G489-N492 PolarHBondContact O-N 2.92Å; S490-N492 VanDerWaalsContact C-N 3.32Å; S490-N492 PolarHBondContact O-N 2.91Å; N492-K500 PolarHBondContact OD1-NZ 3.29Å
493	V	92.7	Very high	94.1	Very high	52 Å²	52	33.5 Å²	33.5	32%	0.315	17%	0.17	S	C	.	.	H	α-helix	trans	-77.6	-39.6	175	177.1	0	0	0	0	110.4	R347 L351 S490 V491	R347-V493 HydrophobicContact CB-CG1 3.97Å; R347-V493 WeakPolarHBondContact CD-O 3.41Å; R347-V493 HydrophobicContact CG-CG1 4.22Å; R347-V493 PolarHBondContact NH1-O 3.17Å; L351-V493 HydrophobicContact CD1-CB 3.88Å; L351-V493 HydrophobicContact CD1-CG1 3.52Å; L351-V493 HydrophobicContact CD2-CB 4.41Å; L351-V493 HydrophobicContact CD2-CG1 4.22Å; L351-V493 HydrophobicContact CD2-CG2 4.36Å; L351-V493 HydrophobicContact CG-CB 4.48Å; L351-V493 HydrophobicContact CG-CG1 3.91Å; S490-V493 PolarHBondContact O-N 2.84Å; S490-V493 VanDerWaalsContact O-N 3.16Å; V491-V493 VanDerWaalsContact C-N 3.32Å
494	L	95.4	Very high	94.1	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-95	-40	-171.8	-64.8	174.5	0	0	0	114.3	L344 M348 L351 T466 L467 A470 S490	L344-L494 HydrophobicContact CD1-CD2 4.07Å; L344-L494 WeakPolarHBondContact CD1-O 3.41Å; M348-L494 HydrophobicContact CB-CD2 4.35Å; M348-L494 HydrophobicContact CG-CD2 3.37Å; L351-L494 HydrophobicContact CD1-CD1 3.82Å; L351-L494 HydrophobicContact CD1-CD2 3.61Å; L351-L494 HydrophobicContact CD1-CG 3.52Å; T466-L494 HydrophobicContact CG2-CD1 3.72Å; L467-L494 HydrophobicContact CD1-CB 4.13Å; A470-L494 HydrophobicContact CB-CB 4.4Å; A470-L494 HydrophobicContact CB-CD1 3.8Å; S490-L494 WeakPolarHBondContact O-CB 3.49Å; S490-L494 WeakPolarHBondContact O-CG 3.31Å; S490-L494 PolarHBondContact O-N 2.92Å
495	L	95.9	Very high	94.3	Very high	5 Å²	5	31.1 Å²	31.1	3%	0.026	16%	0.159	C	C	.	.	S	Bend	trans	-95.2	109.2	-174.8	-51	-168.2	0	0	0	110.5	L467 A470 L471 Y474 V491 L499 K500	L467-L495 HydrophobicContact CD1-CD2 3.72Å; A470-L495 HydrophobicContact CB-CD2 4.36Å; L471-L495 HydrophobicContact CD2-CD1 3.99Å; L471-L495 HydrophobicContact CD2-CD2 3.94Å; L471-L495 HydrophobicContact CG-CD1 4.47Å; L471-L495 HydrophobicContact CG-CD2 3.87Å; Y474-L495 HydrophobicContact CD1-CD1 3.84Å; Y474-L495 HydrophobicContact CG-CD1 3.96Å; V491-L495 HydrophobicContact CG1-CB 4.48Å; V491-L495 HydrophobicContact CG1-CD1 3.74Å; V491-L495 HydrophobicContact CG1-CG 4.06Å; V491-L495 VanDerWaalsContact O-CB 3.32Å; V491-L495 WeakPolarHBondContact O-CB 3.46Å; V491-L495 PolarHBondContact O-N 3.15Å; L495-L499 HydrophobicContact CB-CD2 4.25Å; L495-L499 HydrophobicContact CD2-CD2 3.74Å; L495-L499 HydrophobicContact CG-CD2 4.48Å; L495-K500 HydrophobicContact CB-CD 4.07Å; L495-K500 HydrophobicContact CB-CG 3.7Å; L495-K500 HydrophobicContact CD1-CG 4.41Å; L495-K500 WeakPolarHBondContact O-CD 3.42Å
496	E	94	Very high	94.6	Very high	69 Å²	69	25 Å²	25	32%	0.322	13%	0.127	S	C	.	.			trans	-59.8	154.6	172	61.8	170	-153	0	0	112	S498 L499 K500 F521 W522	E496-S498 VanDerWaalsContact C-N 3.31Å; E496-S498 WeakPolarHBondContact CG-OG 3.49Å; E496-S498 PolarHBondContact O-N 3.3Å; E496-S498 PolarHBondContact OE1-OG 3.47Å; E496-L499 HydrophobicContact CG-CB 3.61Å; E496-L499 WeakPolarHBondContact O-CB 3.44Å; E496-L499 PolarHBondContact O-N 3.34Å; E496-L499 VanDerWaalsContact O-N 3.1Å; E496-K500 WeakPolarHBondContact O-CG 3.36Å; E496-K500 PolarHBondContact O-N 2.88Å; E496-F521 WeakPolarHBondContact OE1-CA 3.47Å; E496-F521 WeakPolarHBondContact OE1-CB 3.35Å; E496-W522 PolarHBondContact OE1-N 3Å
497	R	94.4	Very high	94.7	Very high	179 Å²	179	24 Å²	24	68%	0.675	12%	0.123	S	C	*	.	H	α-helix	trans	-58	-41.7	-175.7	-175.6	176.2	-179.1	155.6	2.6	113	L499 K500 V501	R497-L499 VanDerWaalsContact C-N 3.34Å; R497-K500 PolarHBondContact O-N 3.1Å; R497-V501 WeakPolarHBondContact O-CG2 3.47Å; R497-V501 PolarHBondContact O-N 3.27Å
498	S	95.4	Very high	94.8	Very high	34 Å²	34	22.8 Å²	22.8	24%	0.238	12%	0.116	C	C	.	.	H	α-helix	trans	-60.2	-42.1	177	32.6	0	0	0	0	112.1	E496 V501 F502	E496-S498 VanDerWaalsContact C-N 3.31Å; E496-S498 WeakPolarHBondContact CG-OG 3.49Å; E496-S498 PolarHBondContact O-N 3.3Å; E496-S498 PolarHBondContact OE1-OG 3.47Å; S498-V501 PolarHBondContact O-N 3.29Å; S498-F502 PolarHBondContact O-N 2.91Å
499	L	96.5	Very high	94.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-64.7	-43.4	175.2	176.7	62.5	0	0	0	110.9	L471 L495 E496 R497 V501 F502 V503 F521 W522	L471-L499 HydrophobicContact CD2-CD1 4.24Å; L471-L499 HydrophobicContact CD2-CD2 4.04Å; L471-L499 HydrophobicContact CD2-CG 4.19Å; L495-L499 HydrophobicContact CB-CD2 4.25Å; L495-L499 HydrophobicContact CD2-CD2 3.74Å; L495-L499 HydrophobicContact CG-CD2 4.48Å; E496-L499 HydrophobicContact CG-CB 3.61Å; E496-L499 WeakPolarHBondContact O-CB 3.44Å; E496-L499 PolarHBondContact O-N 3.34Å; E496-L499 VanDerWaalsContact O-N 3.1Å; R497-L499 VanDerWaalsContact C-N 3.34Å; L499-V501 VanDerWaalsContact C-N 3.34Å; L499-V501 PolarHBondContact O-N 3.25Å; L499-F502 PolarHBondContact O-N 3.11Å; L499-V503 HydrophobicContact CD1-CG2 3.96Å; L499-V503 HydrophobicContact CG-CG2 4.28Å; L499-V503 WeakPolarHBondContact O-CB 3.36Å; L499-V503 VanDerWaalsContact O-CG2 3.29Å; L499-V503 WeakPolarHBondContact O-CG2 3.45Å; L499-V503 PolarHBondContact O-N 3.27Å; L499-F521 HydrophobicContact CB-CB 4.19Å; L499-F521 HydrophobicContact CB-CD2 4.37Å; L499-F521 HydrophobicContact CD1-CD2 3.55Å; L499-F521 HydrophobicContact CD1-CE2 3.79Å; L499-F521 HydrophobicContact CD1-CG 4.29Å; L499-W522 HydrophobicContact CD1-CD2 4.49Å; L499-W522 HydrophobicContact CD1-CZ2 4.33Å; L499-W522 HydrophobicContact CD2-CH2 4.44Å; L499-W522 HydrophobicContact CD2-CZ2 3.53Å
500	K	96.4	Very high	95.1	Very high	3 Å²	3	22.5 Å²	22.5	1%	0.013	11%	0.109	C	C	.	.	H	α-helix	trans	-63.8	-38.2	176.6	-62.4	172.1	70.7	-176.1	0	112.4	E375 I377 Y474 N492 L495 E496 R497 K504	E375-K500 IonicContact OE1-NZ 3.55Å; E375-K500 PolarHBondContact OE1-NZ 3.48Å; E375-K500 IonicContact OE2-NZ 3.64Å; E375-K500 PolarHBondContact OE2-NZ 3.03Å; I377-K500 HydrophobicContact CD1-CB 3.54Å; I377-K500 HydrophobicContact CD1-CD 4.43Å; Y474-K500 HydrophobicContact CE1-CB 4Å; Y474-K500 HydrophobicContact CE1-CG 4.07Å; N492-K500 PolarHBondContact OD1-NZ 3.29Å; L495-K500 HydrophobicContact CB-CD 4.07Å; L495-K500 HydrophobicContact CB-CG 3.7Å; L495-K500 HydrophobicContact CD1-CG 4.41Å; L495-K500 WeakPolarHBondContact O-CD 3.42Å; E496-K500 WeakPolarHBondContact O-CG 3.36Å; E496-K500 PolarHBondContact O-N 2.88Å; R497-K500 PolarHBondContact O-N 3.1Å; K500-K504 VanDerWaalsContact O-CB 3.28Å; K500-K504 WeakPolarHBondContact O-CB 3.48Å; K500-K504 PolarHBondContact O-N 2.92Å
501	V	95.9	Very high	95.1	Very high	29 Å²	29	23.2 Å²	23.2	18%	0.176	11%	0.112	C	C	.	.	H	α-helix	trans	-60.4	-48.6	171.3	172	0	0	0	0	110.4	I377 R497 S498 L499 T505 I517	I377-V501 HydrophobicContact CG2-CB 4.16Å; I377-V501 HydrophobicContact CG2-CG2 3.44Å; I377-V501 VanDerWaalsContact CG2-CG2 3.44Å; R497-V501 WeakPolarHBondContact O-CG2 3.47Å; R497-V501 PolarHBondContact O-N 3.27Å; S498-V501 PolarHBondContact O-N 3.29Å; L499-V501 VanDerWaalsContact C-N 3.34Å; L499-V501 PolarHBondContact O-N 3.25Å; V501-T505 VanDerWaalsContact O-CB 3.26Å; V501-T505 WeakPolarHBondContact O-CB 3.36Å; V501-T505 PolarHBondContact O-N 3.35Å; V501-T505 PolarHBondContact O-OG1 3.38Å; V501-I517 HydrophobicContact CG1-CG2 4.28Å
502	F	96.8	Very high	95	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60	-52.2	177.8	175	-99.8	0	0	0	111.8	S498 L499 K504 T505 M506 T513 I517 Y518 F521 N534	S498-F502 PolarHBondContact O-N 2.91Å; L499-F502 PolarHBondContact O-N 3.11Å; F502-K504 PolarHBondContact O-N 2.87Å; F502-T505 PolarHBondContact O-N 2.8Å; F502-M506 HydrophobicContact CE1-SD 3.94Å; F502-M506 HydrophobicContact CZ-SD 3.96Å; F502-M506 WeakPolarHBondContact O-CB 3.4Å; F502-M506 PolarHBondContact O-N 3.31Å; F502-T513 HydrophobicContact CD2-CG2 4.41Å; F502-T513 HydrophobicContact CE2-CG2 3.96Å; F502-I517 HydrophobicContact CB-CG2 3.95Å; F502-I517 HydrophobicContact CD2-CG2 3.96Å; F502-I517 HydrophobicContact CG-CG2 4.47Å; F502-Y518 HydrophobicContact CE2-CD2 4.09Å; F502-Y518 HydrophobicContact CZ-CD2 4.41Å; F502-F521 HydrophobicContact CB-CD1 3.64Å; F502-F521 HydrophobicContact CB-CE1 3.9Å; F502-F521 HydrophobicContact CB-CG 4.24Å; F502-F521 HydrophobicContact CD1-CD1 4.09Å; F502-F521 AromaticContact CD1-CE1 3.49Å; F502-F521 HydrophobicContact CD1-CE1 3.49Å; F502-F521 VanDerWaalsContact CD1-CE1 3.49Å; F502-F521 HydrophobicContact CD1-CE2 4.29Å; F502-F521 AromaticContact CD1-CZ 3.6Å; F502-F521 HydrophobicContact CD1-CZ 3.6Å; F502-F521 AromaticContact CD2-CD1 3.98Å; F502-F521 HydrophobicContact CD2-CD1 3.98Å; F502-F521 AromaticContact CD2-CE1 3.48Å; F502-F521 HydrophobicContact CD2-CE1 3.48Å; F502-F521 VanDerWaalsContact CD2-CE1 3.48Å; F502-F521 HydrophobicContact CD2-CZ 4.35Å; F502-F521 AromaticContact CE1-CE1 3.86Å; F502-F521 HydrophobicContact CE1-CE1 3.86Å; F502-F521 AromaticContact CE1-CZ 3.74Å; F502-F521 HydrophobicContact CE1-CZ 3.74Å; F502-F521 AromaticContact CE2-CE1 3.85Å; F502-F521 HydrophobicContact CE2-CE1 3.85Å; F502-F521 HydrophobicContact CE2-CZ 4.46Å; F502-F521 AromaticContact CG-CD1 3.61Å; F502-F521 HydrophobicContact CG-CD1 3.61Å; F502-F521 AromaticContact CG-CE1 3.3Å; F502-F521 HydrophobicContact CG-CE1 3.3Å; F502-F521 HydrophobicContact CG-CG 4.47Å; F502-F521 AromaticContact CG-CZ 3.94Å; F502-F521 HydrophobicContact CG-CZ 3.94Å; F502-F521 HydrophobicContact CZ-CE1 4.04Å; F502-F521 HydrophobicContact CZ-CZ 4.19Å; F502-N534 WeakPolarHBondContact CZ-ND2 3.27Å
503	V	97.4	Very high	95.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.9	-48.5	-179.5	168.7	0	0	0	0	111.4	L471 Y474 I475 L499 T505 M506 A507 V537	L471-V503 HydrophobicContact CD2-CG2 3.73Å; Y474-V503 HydrophobicContact CD1-CB 4.38Å; Y474-V503 HydrophobicContact CD1-CG1 3.77Å; Y474-V503 HydrophobicContact CE1-CB 4.21Å; Y474-V503 HydrophobicContact CE1-CG1 3.87Å; I475-V503 HydrophobicContact CD1-CG1 3.94Å; I475-V503 HydrophobicContact CG1-CG1 3.58Å; L499-V503 HydrophobicContact CD1-CG2 3.96Å; L499-V503 HydrophobicContact CG-CG2 4.28Å; L499-V503 WeakPolarHBondContact O-CB 3.36Å; L499-V503 VanDerWaalsContact O-CG2 3.29Å; L499-V503 WeakPolarHBondContact O-CG2 3.45Å; L499-V503 PolarHBondContact O-N 3.27Å; V503-T505 PolarHBondContact O-N 2.78Å; V503-M506 PolarHBondContact O-N 2.68Å; V503-A507 VanDerWaalsContact O-CB 3.23Å; V503-A507 WeakPolarHBondContact O-CB 3.38Å; V503-A507 PolarHBondContact O-N 3.35Å; V503-V537 HydrophobicContact CB-CG2 4.36Å; V503-V537 HydrophobicContact CG1-CG2 4Å; V503-V537 HydrophobicContact CG2-CG2 3.94Å
504	K	96.1	Very high	95.2	Very high	3 Å²	3	20.2 Å²	20.2	1%	0.013	10%	0.095	C	C	.	.	H	α-helix	trans	-64.3	-41.8	177.8	-170.3	179	-176.6	179.7	0	111.6	I377 T379 D403 L478 K500 F502 C508	I377-K504 HydrophobicContact CB-CD 3.82Å; I377-K504 HydrophobicContact CG2-CD 4.38Å; T379-K504 HydrophobicContact CG2-CB 4.21Å; T379-K504 HydrophobicContact CG2-CD 3.97Å; T379-K504 HydrophobicContact CG2-CG 3.86Å; D403-K504 WeakPolarHBondContact OD1-CE 3.33Å; D403-K504 IonicContact OD1-NZ 3.75Å; D403-K504 PolarHBondContact OD1-NZ 3.11Å; D403-K504 IonicContact OD2-NZ 3.78Å; D403-K504 PolarHBondContact OD2-NZ 3.23Å; L478-K504 HydrophobicContact CD1-CB 4.05Å; L478-K504 HydrophobicContact CD1-CG 4.08Å; L478-K504 HydrophobicContact CD2-CD 4.14Å; L478-K504 HydrophobicContact CD2-CG 4.11Å; K500-K504 VanDerWaalsContact O-CB 3.28Å; K500-K504 WeakPolarHBondContact O-CB 3.48Å; K500-K504 PolarHBondContact O-N 2.92Å; F502-K504 PolarHBondContact O-N 2.87Å; K504-C508 WeakPolarHBondContact O-CB 3.46Å; K504-C508 PolarHBondContact O-N 3.22Å
505	T	95.8	Very high	95.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.9	-51.6	176.7	-54.8	0	0	0	0	110.2	V501 F502 V503 A507 H509 P510 Q512 I517	V501-T505 VanDerWaalsContact O-CB 3.26Å; V501-T505 WeakPolarHBondContact O-CB 3.36Å; V501-T505 PolarHBondContact O-N 3.35Å; V501-T505 PolarHBondContact O-OG1 3.38Å; F502-T505 PolarHBondContact O-N 2.8Å; V503-T505 PolarHBondContact O-N 2.78Å; T505-A507 PolarHBondContact O-N 3.17Å; T505-H509 CarbonylContact O-C 3.25Å; T505-H509 VanDerWaalsContact O-CA 3.28Å; T505-H509 WeakPolarHBondContact O-CA 3.45Å; T505-H509 PolarHBondContact O-N 3.47Å; T505-P510 WeakPolarHBondContact O-CA 3.45Å; T505-P510 VanDerWaalsContact O-N 3.09Å; T505-Q512 HydrophobicContact CG2-CB 3.93Å; T505-I517 HydrophobicContact CG2-CD1 4.15Å
506	M	95.3	Very high	95.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.7	-42.7	-179.1	-176.3	-169.2	178	0	0	112.6	S291 F292 F502 V503 P510 N534 V537	S291-M506 VanDerWaalsContact C-CE 3.41Å; S291-M506 WeakPolarHBondContact CB-O 3.1Å; S291-M506 VanDerWaalsContact O-CE 3.24Å; S291-M506 WeakPolarHBondContact O-CE 2.95Å; S291-M506 WeakPolarHBondContact O-CG 3.34Å; F292-M506 HydrophobicContact CB-CE 4.46Å; F502-M506 HydrophobicContact CE1-SD 3.94Å; F502-M506 HydrophobicContact CZ-SD 3.96Å; F502-M506 WeakPolarHBondContact O-CB 3.4Å; F502-M506 PolarHBondContact O-N 3.31Å; V503-M506 PolarHBondContact O-N 2.68Å; M506-P510 WeakPolarHBondContact O-CB 3.37Å; M506-N534 HydrophobicContact CE-CB 3.63Å; M506-N534 WeakPolarHBondContact CE-O 2.98Å; M506-N534 WeakPolarHBondContact CE-OD1 3.46Å; M506-N534 HydrophobicContact SD-CB 4.17Å; M506-N534 PolarHBondContact SD-OD1 2.94Å; M506-V537 HydrophobicContact CB-CG1 4.28Å; M506-V537 HydrophobicContact CE-CB 4.21Å; M506-V537 HydrophobicContact CE-CG1 4.23Å; M506-V537 HydrophobicContact CG-CG1 3.95Å; M506-V537 HydrophobicContact SD-CB 3.71Å; M506-V537 HydrophobicContact SD-CG1 3.59Å; M506-V537 VanDerWaalsContact SD-CG1 3.59Å; M506-V537 HydrophobicContact SD-CG2 4.15Å
507	A	96.6	Very high	95.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-75.8	-34.7	-176.5	0	0	0	0	0	113.2	Y479 V503 T505 V537 R541	Y479-A507 HydrophobicContact CE2-CB 4.39Å; Y479-A507 PolarHBondContact OH-O 3.33Å; V503-A507 VanDerWaalsContact O-CB 3.23Å; V503-A507 WeakPolarHBondContact O-CB 3.38Å; V503-A507 PolarHBondContact O-N 3.35Å; T505-A507 PolarHBondContact O-N 3.17Å; A507-V537 HydrophobicContact CB-CG1 3.92Å; A507-R541 WeakPolarHBondContact O-CD 3.5Å; A507-R541 VanDerWaalsContact O-CZ 3.29Å; A507-R541 PolarHBondContact O-NE 3.39Å
508	C	94.9	Very high	95.2	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.007	8%	0.084	C	C	.	.	H	α-helix	trans	-111.2	-33	-168	-58.4	0	0	0	0	113.5	Y401 K504	Y401-C508 WeakPolarHBondContact CB-O 3.17Å; Y401-C508 HydrophobicContact CD1-CB 3.53Å; Y401-C508 HydrophobicContact CD2-CB 3.78Å; Y401-C508 HydrophobicContact CE1-CB 3.88Å; Y401-C508 HydrophobicContact CE2-CB 4.13Å; Y401-C508 WeakPolarHBondContact CE2-SG 3.37Å; Y401-C508 HydrophobicContact CG-CB 3.49Å; Y401-C508 VanDerWaalsContact CG-CB 3.49Å; K504-C508 WeakPolarHBondContact O-CB 3.46Å; K504-C508 PolarHBondContact O-N 3.22Å
509	H	94.2	Very high	95.2	Very high	19 Å²	19	19.4 Å²	19.4	9%	0.088	9%	0.089	C	C	.	.			trans	-139.3	55.7	-176.1	-57.5	-74.6	0	0	0	110.7	Y401 T505 E511 Q512	Y401-H509 AromaticContact CD1-NE2 3.64Å; Y401-H509 PolarHBondContact O-CE1 2.74Å; T505-H509 CarbonylContact O-C 3.25Å; T505-H509 VanDerWaalsContact O-CA 3.28Å; T505-H509 WeakPolarHBondContact O-CA 3.45Å; T505-H509 PolarHBondContact O-N 3.47Å; H509-E511 PolarHBondContact O-N 3.04Å; H509-Q512 HydrophobicContact CB-CB 4.28Å; H509-Q512 HydrophobicContact CB-CG 4.01Å; H509-Q512 WeakPolarHBondContact O-CB 3.31Å; H509-Q512 PolarHBondContact O-N 3.01Å
510	P	95.4	Very high	95.1	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-55.6	-34.6	-168	23.3	-35.9	0	0	0	112.5	H204 W294 T505 M506 Q512 T513	H204-P510 HydrophobicContact CB-CG 3.92Å; H204-P510 VanDerWaalsContact ND1-CG 3.33Å; H204-P510 WeakPolarHBondContact ND1-CG 3.26Å; W294-P510 HydrophobicContact CB-CB 3.96Å; W294-P510 WeakPolarHBondContact CB-O 3.3Å; W294-P510 HydrophobicContact CG-CB 4.09Å; W294-P510 VanDerWaalsContact CG-O 3.32Å; T505-P510 WeakPolarHBondContact O-CA 3.45Å; T505-P510 VanDerWaalsContact O-N 3.09Å; M506-P510 WeakPolarHBondContact O-CB 3.37Å; P510-Q512 PolarHBondContact O-N 3.2Å; P510-T513 VanDerWaalsContact O-CB 3.28Å; P510-T513 WeakPolarHBondContact O-CB 3.24Å; P510-T513 PolarHBondContact O-N 3.34Å; P510-T513 PolarHBondContact O-OG1 3.46Å
511	E	92	Very high	95.1	Very high	14 Å²	14	20.9 Å²	20.9	7%	0.065	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-58.2	-19.3	175.5	69.8	-74.5	172.2	0	0	114.6	H204 W294 R383 H509	H204-E511 IonicContact ND1-OE2 3.33Å; W294-E511 HydrophobicContact CZ2-CB 4.28Å; R383-E511 WeakPolarHBondContact CD-O 3.24Å; R383-E511 WeakPolarHBondContact CG-O 3.21Å; R383-E511 PolarHBondContact NE-O 3Å; H509-E511 PolarHBondContact O-N 3.04Å
512	Q	93.4	Very high	95	Very high	35 Å²	35	20.4 Å²	20.4	16%	0.164	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-89.6	-3.2	177.7	-57.2	-178.1	23.9	0	0	112.8	T379 V381 T505 H509 P510 T514	T379-Q512 PolarHBondContact O-OE1 3.27Å; V381-Q512 WeakPolarHBondContact O-CG 3.19Å; T505-Q512 HydrophobicContact CG2-CB 3.93Å; H509-Q512 HydrophobicContact CB-CB 4.28Å; H509-Q512 HydrophobicContact CB-CG 4.01Å; H509-Q512 WeakPolarHBondContact O-CB 3.31Å; H509-Q512 PolarHBondContact O-N 3.01Å; P510-Q512 PolarHBondContact O-N 3.2Å; Q512-T514 PolarHBondContact O-N 3.42Å
513	T	93.8	Very high	94.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.128	C	C	.	.			trans	-64.6	133.6	177.5	-50	0	0	0	0	110.4	F131 W294 R383 F502 P510	F131-T513 HydrophobicContact CE2-CG2 4.07Å; W294-T513 WeakPolarHBondContact O-CG2 3.39Å; R383-T513 PolarHBondContact NH2-O 2.98Å; F502-T513 HydrophobicContact CD2-CG2 4.41Å; F502-T513 HydrophobicContact CE2-CG2 3.96Å; P510-T513 VanDerWaalsContact O-CB 3.28Å; P510-T513 WeakPolarHBondContact O-CB 3.24Å; P510-T513 PolarHBondContact O-N 3.34Å; P510-T513 PolarHBondContact O-OG1 3.46Å
514	T	93.9	Very high	94.6	Very high	29 Å²	29	32 Å²	32	18%	0.178	14%	0.143	C	C	.	.			trans	-133.7	160.2	179.8	61.2	0	0	0	0	111	V381 Q512 R516 I517 Y518	V381-T514 HydrophobicContact CG1-CG2 4.24Å; Q512-T514 PolarHBondContact O-N 3.42Å; T514-R516 PolarHBondContact O-N 3.16Å; T514-I517 PolarHBondContact O-N 3.47Å; T514-I517 WeakPolarHBondContact OG1-CG1 3.45Å; T514-I517 PolarHBondContact OG1-N 2.64Å; T514-Y518 PolarHBondContact O-N 3.21Å
515	A	94.1	Very high	94.6	Very high	9 Å²	9	33 Å²	33	7%	0.074	15%	0.147	C	C	.	.	H	α-helix	trans	-53.9	-38.8	174.4	0	0	0	0	0	111.5	F131 I517 Y518 H519	F131-A515 HydrophobicContact CD1-CB 3.67Å; F131-A515 HydrophobicContact CE1-CB 3.77Å; F131-A515 VanDerWaalsContact CE1-N 3.32Å; A515-I517 PolarHBondContact O-N 2.98Å; A515-Y518 PolarHBondContact O-N 3.46Å; A515-H519 PolarHBondContact O-CD2 3.08Å; A515-H519 PolarHBondContact O-N 2.85Å
516	R	94.2	Very high	94.6	Very high	177 Å²	177	36.7 Å²	36.7	67%	0.668	16%	0.161	S	C	*	.	H	α-helix	trans	-59	-45.5	175.5	-173.1	-179.6	69.8	178.6	1.3	112.4	T514 A520	T514-R516 PolarHBondContact O-N 3.16Å; R516-A520 VanDerWaalsContact O-CB 3.22Å; R516-A520 WeakPolarHBondContact O-CB 3.33Å; R516-A520 PolarHBondContact O-N 3.31Å; R516-A520 VanDerWaalsContact O-N 3.09Å
517	I	94.7	Very high	94.6	Very high	16 Å²	16	38.1 Å²	38.1	8%	0.082	17%	0.168	C	C	.	.	H	α-helix	trans	-65.3	-43.6	177.5	-62.2	171.3	0	0	0	109.5	V381 V501 F502 T505 T514 A515 H519 A520	V381-I517 HydrophobicContact CG2-CD1 4.3Å; V501-I517 HydrophobicContact CG1-CG2 4.28Å; F502-I517 HydrophobicContact CB-CG2 3.95Å; F502-I517 HydrophobicContact CD2-CG2 3.96Å; F502-I517 HydrophobicContact CG-CG2 4.47Å; T505-I517 HydrophobicContact CG2-CD1 4.15Å; T514-I517 PolarHBondContact O-N 3.47Å; T514-I517 WeakPolarHBondContact OG1-CG1 3.45Å; T514-I517 PolarHBondContact OG1-N 2.64Å; A515-I517 PolarHBondContact O-N 2.98Å; I517-H519 PolarHBondContact O-N 3.45Å; I517-A520 PolarHBondContact O-N 3.46Å
518	Y	96.4	Very high	94.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.5	-42.1	-180	178.6	-88	0	0	0	113.7	F131 I132 G295 F502 T514 A515 F521 H527 K530	F131-Y518 HydrophobicContact CB-CD1 3.7Å; F131-Y518 HydrophobicContact CB-CD2 4.35Å; F131-Y518 HydrophobicContact CB-CE1 3.9Å; F131-Y518 HydrophobicContact CB-CG 3.95Å; F131-Y518 HydrophobicContact CD2-CD1 4.34Å; F131-Y518 AromaticContact CD2-CD2 3.79Å; F131-Y518 HydrophobicContact CD2-CD2 3.79Å; F131-Y518 HydrophobicContact CD2-CE2 4.49Å; F131-Y518 AromaticContact CD2-CG 3.7Å; F131-Y518 HydrophobicContact CD2-CG 3.7Å; F131-Y518 HydrophobicContact CG-CD1 4.28Å; F131-Y518 HydrophobicContact CG-CD2 4.49Å; F131-Y518 HydrophobicContact CG-CG 4.08Å; I132-Y518 WeakPolarHBondContact CG1-OH 3.28Å; G295-Y518 WeakPolarHBondContact O-CD2 3.4Å; F502-Y518 HydrophobicContact CE2-CD2 4.09Å; F502-Y518 HydrophobicContact CZ-CD2 4.41Å; T514-Y518 PolarHBondContact O-N 3.21Å; A515-Y518 PolarHBondContact O-N 3.46Å; Y518-F521 HydrophobicContact CD2-CE1 4.24Å; Y518-F521 VanDerWaalsContact O-CD1 3.24Å; Y518-F521 WeakPolarHBondContact O-CD1 3.34Å; Y518-F521 VanDerWaalsContact O-CE1 3.27Å; Y518-F521 WeakPolarHBondContact O-CE1 3.2Å; Y518-H527 AromaticContact CE1-CE1 3.69Å; Y518-H527 AromaticContact CE1-ND1 3.43Å; Y518-H527 WeakPolarHBondContact CE1-ND1 3.43Å; Y518-H527 AromaticContact CZ-ND1 3.62Å; Y518-H527 PolarHBondContact OH-ND1 3.41Å; Y518-K530 HydrophobicContact CD1-CD 4.49Å; Y518-K530 HydrophobicContact CE1-CD 3.85Å; Y518-K530 HydrophobicContact CE2-CB 3.94Å; Y518-K530 HydrophobicContact CE2-CD 4.06Å; Y518-K530 PolarHBondContact O-NZ 3.37Å
519	H	95.8	Very high	94.8	Very high	73 Å²	73	40.5 Å²	40.5	34%	0.338	18%	0.182	S	C	.	.	H	α-helix	trans	-80.7	-15.4	178.6	-66.4	-67	0	0	0	113.2	F131 A515 I517 H527	F131-H519 PolarHBondContact O-CE1 3.02Å; F131-H519 VanDerWaalsContact O-CE1 3.23Å; A515-H519 PolarHBondContact O-CD2 3.08Å; A515-H519 PolarHBondContact O-N 2.85Å; I517-H519 PolarHBondContact O-N 3.45Å; H519-H527 AromaticContact CE1-CE1 3.98Å
520	A	94.9	Very high	95	Very high	34 Å²	34	40 Å²	40	28%	0.281	18%	0.18	S	C	.	.	H	α-helix	trans	-73.4	-32.8	-178.6	0	0	0	0	0	113.8	R516 I517 R523	R516-A520 VanDerWaalsContact O-CB 3.22Å; R516-A520 WeakPolarHBondContact O-CB 3.33Å; R516-A520 PolarHBondContact O-N 3.31Å; R516-A520 VanDerWaalsContact O-N 3.09Å; I517-A520 PolarHBondContact O-N 3.46Å; A520-R523 PolarHBondContact O-NE 3.14Å
521	F	94.8	Very high	95.1	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-94.1	151.3	-180	82.5	-86.9	0	0	0	111.9	E496 L499 F502 Y518 R523 K530	E496-F521 WeakPolarHBondContact OE1-CA 3.47Å; E496-F521 WeakPolarHBondContact OE1-CB 3.35Å; L499-F521 HydrophobicContact CB-CB 4.19Å; L499-F521 HydrophobicContact CB-CD2 4.37Å; L499-F521 HydrophobicContact CD1-CD2 3.55Å; L499-F521 HydrophobicContact CD1-CE2 3.79Å; L499-F521 HydrophobicContact CD1-CG 4.29Å; F502-F521 HydrophobicContact CB-CD1 3.64Å; F502-F521 HydrophobicContact CB-CE1 3.9Å; F502-F521 HydrophobicContact CB-CG 4.24Å; F502-F521 HydrophobicContact CD1-CD1 4.09Å; F502-F521 AromaticContact CD1-CE1 3.49Å; F502-F521 HydrophobicContact CD1-CE1 3.49Å; F502-F521 VanDerWaalsContact CD1-CE1 3.49Å; F502-F521 HydrophobicContact CD1-CE2 4.29Å; F502-F521 AromaticContact CD1-CZ 3.6Å; F502-F521 HydrophobicContact CD1-CZ 3.6Å; F502-F521 AromaticContact CD2-CD1 3.98Å; F502-F521 HydrophobicContact CD2-CD1 3.98Å; F502-F521 AromaticContact CD2-CE1 3.48Å; F502-F521 HydrophobicContact CD2-CE1 3.48Å; F502-F521 VanDerWaalsContact CD2-CE1 3.48Å; F502-F521 HydrophobicContact CD2-CZ 4.35Å; F502-F521 AromaticContact CE1-CE1 3.86Å; F502-F521 HydrophobicContact CE1-CE1 3.86Å; F502-F521 AromaticContact CE1-CZ 3.74Å; F502-F521 HydrophobicContact CE1-CZ 3.74Å; F502-F521 AromaticContact CE2-CE1 3.85Å; F502-F521 HydrophobicContact CE2-CE1 3.85Å; F502-F521 HydrophobicContact CE2-CZ 4.46Å; F502-F521 AromaticContact CG-CD1 3.61Å; F502-F521 HydrophobicContact CG-CD1 3.61Å; F502-F521 AromaticContact CG-CE1 3.3Å; F502-F521 HydrophobicContact CG-CE1 3.3Å; F502-F521 HydrophobicContact CG-CG 4.47Å; F502-F521 AromaticContact CG-CZ 3.94Å; F502-F521 HydrophobicContact CG-CZ 3.94Å; F502-F521 HydrophobicContact CZ-CE1 4.04Å; F502-F521 HydrophobicContact CZ-CZ 4.19Å; Y518-F521 HydrophobicContact CD2-CE1 4.24Å; Y518-F521 VanDerWaalsContact O-CD1 3.24Å; Y518-F521 WeakPolarHBondContact O-CD1 3.34Å; Y518-F521 VanDerWaalsContact O-CE1 3.27Å; Y518-F521 WeakPolarHBondContact O-CE1 3.2Å; F521-R523 VanDerWaalsContact C-N 3.29Å; F521-R523 PolarHBondContact O-N 3.01Å; F521-K530 HydrophobicContact CE1-CD 4.32Å; F521-K530 HydrophobicContact CE2-CB 4.33Å; F521-K530 HydrophobicContact CE2-CD 4.16Å; F521-K530 HydrophobicContact CE2-CG 3.8Å; F521-K530 HydrophobicContact CZ-CB 3.97Å; F521-K530 HydrophobicContact CZ-CD 3.86Å; F521-K530 HydrophobicContact CZ-CG 3.77Å; F521-K530 WeakPolarHBondContact O-CE 3.28Å; F521-K530 PolarHBondContact O-NZ 2.92Å
522	W	95.1	Very high	95.4	Very high	18 Å²	18	40.2 Å²	40.2	7%	0.068	18%	0.181	C	C	.	.	S	Bend	trans	43.9	54.6	174.5	-75	-5.9	0	0	0	112.5	L467 L471 E496 L499 H524 F525 K530 A533	L467-W522 HydrophobicContact CD1-CZ2 4.41Å; L467-W522 HydrophobicContact CD2-CH2 4.42Å; L467-W522 HydrophobicContact CD2-CZ2 3.92Å; L467-W522 HydrophobicContact CG-CZ2 4.4Å; L471-W522 HydrophobicContact CD1-CH2 3.95Å; L471-W522 HydrophobicContact CD1-CZ2 4.39Å; E496-W522 PolarHBondContact OE1-N 3Å; L499-W522 HydrophobicContact CD1-CD2 4.49Å; L499-W522 HydrophobicContact CD1-CZ2 4.33Å; L499-W522 HydrophobicContact CD2-CH2 4.44Å; L499-W522 HydrophobicContact CD2-CZ2 3.53Å; W522-H524 PolarHBondContact O-N 2.91Å; W522-F525 HydrophobicContact CB-CB 3.83Å; W522-F525 HydrophobicContact CB-CD2 3.48Å; W522-F525 VanDerWaalsContact CB-CD2 3.48Å; W522-F525 HydrophobicContact CB-CE2 4.19Å; W522-F525 HydrophobicContact CB-CG 3.7Å; W522-F525 AromaticContact CD1-CD2 3.98Å; W522-F525 AromaticContact CD1-CE2 3.77Å; W522-F525 AromaticContact CD2-CD1 3.98Å; W522-F525 HydrophobicContact CD2-CD1 3.98Å; W522-F525 HydrophobicContact CD2-CD2 4.21Å; W522-F525 HydrophobicContact CD2-CE1 4.13Å; W522-F525 HydrophobicContact CD2-CE2 4.36Å; W522-F525 HydrophobicContact CD2-CG 4.03Å; W522-F525 HydrophobicContact CD2-CZ 4.33Å; W522-F525 HydrophobicContact CE3-CB 4.45Å; W522-F525 AromaticContact CE3-CD1 3.93Å; W522-F525 HydrophobicContact CE3-CD1 3.93Å; W522-F525 HydrophobicContact CE3-CE1 4.37Å; W522-F525 HydrophobicContact CE3-CG 4.16Å; W522-F525 HydrophobicContact CG-CB 4.45Å; W522-F525 HydrophobicContact CG-CD1 4.28Å; W522-F525 AromaticContact CG-CD2 3.64Å; W522-F525 HydrophobicContact CG-CD2 3.64Å; W522-F525 HydrophobicContact CG-CE1 4.47Å; W522-F525 AromaticContact CG-CE2 3.88Å; W522-F525 HydrophobicContact CG-CE2 3.88Å; W522-F525 AromaticContact CG-CG 3.87Å; W522-F525 HydrophobicContact CG-CG 3.87Å; W522-F525 HydrophobicContact CG-CZ 4.3Å; W522-F525 HydrophobicContact CZ3-CD1 4.45Å; W522-F525 PolarHBondContact O-N 3.19Å; W522-F525 VanDerWaalsContact O-N 3.08Å; W522-K530 WeakPolarHBondContact O-CE 3.5Å; W522-A533 HydrophobicContact CH2-CB 4.08Å; W522-A533 HydrophobicContact CZ3-CB 3.72Å
523	R	93.4	Very high	95.7	Very high	178 Å²	178	38.6 Å²	38.6	67%	0.672	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-31.4	-172.2	-64	-180	-172.9	175.7	2.2	112.8	A520 F521	A520-R523 PolarHBondContact O-NE 3.14Å; F521-R523 VanDerWaalsContact C-N 3.29Å; F521-R523 PolarHBondContact O-N 3.01Å
524	H	92.8	Very high	95.9	Very high	66 Å²	66	38.6 Å²	38.6	31%	0.306	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-0.8	-177.9	-53.9	-61	0	0	0	113.8	G337 E340 V341 A457 W522	G337-H524 WeakPolarHBondContact CA-CD2 3.49Å; G337-H524 VanDerWaalsContact CA-CE1 3.41Å; G337-H524 WeakPolarHBondContact CA-CE1 3.33Å; G337-H524 VanDerWaalsContact CA-CG 3.49Å; G337-H524 WeakPolarHBondContact CA-NE2 3.41Å; E340-H524 IonicContact OE2-CD2 2.94Å; E340-H524 IonicContact OE2-NE2 3.92Å; V341-H524 HydrophobicContact CG2-CB 4.1Å; A457-H524 WeakPolarHBondContact CB-O 3.3Å; W522-H524 PolarHBondContact O-N 2.91Å
525	F	95	Very high	96.1	Very high	23 Å²	23	37.2 Å²	37.2	10%	0.101	17%	0.165	C	C	.	.	S	Bend	trans	-87.1	154.1	175.4	-70.1	-119.3	0	0	0	110.5	V341 L344 M456 A457 W522 E529	V341-F525 HydrophobicContact CG2-CD2 4.46Å; V341-F525 HydrophobicContact CG2-CE2 3.97Å; L344-F525 HydrophobicContact CD2-CZ 4.09Å; M456-F525 HydrophobicContact CG-CE1 3.59Å; M456-F525 HydrophobicContact CG-CZ 3.71Å; M456-F525 HydrophobicContact SD-CE1 4.34Å; M456-F525 HydrophobicContact SD-CZ 4.07Å; A457-F525 HydrophobicContact CB-CD2 4.43Å; A457-F525 HydrophobicContact CB-CG 4.32Å; W522-F525 HydrophobicContact CB-CB 3.83Å; W522-F525 HydrophobicContact CB-CD2 3.48Å; W522-F525 VanDerWaalsContact CB-CD2 3.48Å; W522-F525 HydrophobicContact CB-CE2 4.19Å; W522-F525 HydrophobicContact CB-CG 3.7Å; W522-F525 AromaticContact CD1-CD2 3.98Å; W522-F525 AromaticContact CD1-CE2 3.77Å; W522-F525 AromaticContact CD2-CD1 3.98Å; W522-F525 HydrophobicContact CD2-CD1 3.98Å; W522-F525 HydrophobicContact CD2-CD2 4.21Å; W522-F525 HydrophobicContact CD2-CE1 4.13Å; W522-F525 HydrophobicContact CD2-CE2 4.36Å; W522-F525 HydrophobicContact CD2-CG 4.03Å; W522-F525 HydrophobicContact CD2-CZ 4.33Å; W522-F525 HydrophobicContact CE3-CB 4.45Å; W522-F525 AromaticContact CE3-CD1 3.93Å; W522-F525 HydrophobicContact CE3-CD1 3.93Å; W522-F525 HydrophobicContact CE3-CE1 4.37Å; W522-F525 HydrophobicContact CE3-CG 4.16Å; W522-F525 HydrophobicContact CG-CB 4.45Å; W522-F525 HydrophobicContact CG-CD1 4.28Å; W522-F525 AromaticContact CG-CD2 3.64Å; W522-F525 HydrophobicContact CG-CD2 3.64Å; W522-F525 HydrophobicContact CG-CE1 4.47Å; W522-F525 AromaticContact CG-CE2 3.88Å; W522-F525 HydrophobicContact CG-CE2 3.88Å; W522-F525 AromaticContact CG-CG 3.87Å; W522-F525 HydrophobicContact CG-CG 3.87Å; W522-F525 HydrophobicContact CG-CZ 4.3Å; W522-F525 HydrophobicContact CZ3-CD1 4.45Å; W522-F525 PolarHBondContact O-N 3.19Å; W522-F525 VanDerWaalsContact O-N 3.08Å; F525-E529 HydrophobicContact CB-CB 4.27Å; F525-E529 HydrophobicContact CD1-CB 4.13Å
526	R	95.2	Very high	96.3	Very high	79 Å²	79	37 Å²	37	30%	0.298	16%	0.163	S	C	.	.			trans	-67.8	154.7	174.4	-68.7	-176.4	-68.5	-83.2	-25.1	111.4	R455 A457 S528 E529 K530	R455-R526 VanDerWaalsContact CD-CZ 3.41Å; R455-R526 VanDerWaalsContact CD-NH1 3.32Å; A457-R526 PolarHBondContact O-NH1 3.13Å; A457-R526 PolarHBondContact O-NH2 2.97Å; R526-S528 PolarHBondContact O-N 3.3Å; R526-E529 HydrophobicContact CB-CG 4.43Å; R526-E529 WeakPolarHBondContact CB-OE2 3.29Å; R526-E529 IonicContact CZ-OE2 3.28Å; R526-E529 PolarHBondContact N-OE2 3.37Å; R526-E529 IonicContact NE-OE2 3.12Å; R526-E529 IonicContact NH2-OE1 3.56Å; R526-E529 PolarHBondContact NH2-OE1 3.09Å; R526-E529 IonicContact NH2-OE2 2.66Å; R526-E529 PolarHBondContact NH2-OE2 3.28Å; R526-E529 WeakPolarHBondContact O-CB 3.3Å; R526-E529 PolarHBondContact O-N 3.39Å; R526-K530 PolarHBondContact O-N 3.06Å
527	H	96.6	Very high	96.5	Very high	30 Å²	30	28.6 Å²	28.6	14%	0.139	13%	0.131	C	C	.	.	H	α-helix	trans	-58.4	-33.9	171.3	-71.4	-78	0	0	0	112.5	F131 I132 P133 E136 Y518 H519 E529 K530 V531	F131-H527 PolarHBondContact O-CE1 2.93Å; I132-H527 HydrophobicContact CG1-CB 4.26Å; I132-H527 HydrophobicContact CG2-CB 3.84Å; P133-H527 WeakPolarHBondContact CD-NE2 3.38Å; E136-H527 VanDerWaalsContact CD-CD2 3.46Å; E136-H527 IonicContact OE1-CD2 3.74Å; E136-H527 PolarHBondContact OE1-CD2 2.98Å; E136-H527 VanDerWaalsContact OE1-CD2 3.22Å; E136-H527 IonicContact OE1-NE2 2.68Å; E136-H527 WeakPolarHBondContact OE2-CB 3.49Å; E136-H527 IonicContact OE2-CD2 3.41Å; E136-H527 PolarHBondContact OE2-CD2 3.46Å; E136-H527 IonicContact OE2-CG 3.23Å; Y518-H527 AromaticContact CE1-CE1 3.69Å; Y518-H527 AromaticContact CE1-ND1 3.43Å; Y518-H527 WeakPolarHBondContact CE1-ND1 3.43Å; Y518-H527 AromaticContact CZ-ND1 3.62Å; Y518-H527 PolarHBondContact OH-ND1 3.41Å; H519-H527 AromaticContact CE1-CE1 3.98Å; H527-E529 VanDerWaalsContact C-N 3.31Å; H527-E529 PolarHBondContact O-N 3.42Å; H527-K530 WeakPolarHBondContact O-CB 3.29Å; H527-K530 PolarHBondContact O-N 3.4Å; H527-V531 WeakPolarHBondContact O-CG2 3.31Å; H527-V531 PolarHBondContact O-N 3.14Å
528	S	96.6	Very high	96.7	Very high	29 Å²	29	27.9 Å²	27.9	20%	0.203	13%	0.127	C	C	.	.	H	α-helix	trans	-61.4	-36.2	173.3	59.5	0	0	0	0	113	H167 R526 V531 H532	H167-S528 PolarHBondContact CE1-O 2.89Å; H167-S528 VanDerWaalsContact CE1-O 3.29Å; H167-S528 PolarHBondContact NE2-O 3.41Å; R526-S528 PolarHBondContact O-N 3.3Å; S528-V531 PolarHBondContact O-N 2.81Å; S528-H532 PolarHBondContact O-N 2.58Å
529	E	98	Very high	96.8	Very high	22 Å²	22	27.9 Å²	27.9	10%	0.103	13%	0.127	C	C	.	.	H	α-helix	trans	-72.2	-33.5	176.4	-65.2	167.2	123	0	0	111.6	M456 A457 F525 R526 H527 H532 A533	M456-E529 WeakPolarHBondContact CA-OE1 3.43Å; A457-E529 WeakPolarHBondContact CA-OE2 3.27Å; A457-E529 PolarHBondContact N-OE1 2.94Å; A457-E529 PolarHBondContact N-OE2 2.91Å; F525-E529 HydrophobicContact CB-CB 4.27Å; F525-E529 HydrophobicContact CD1-CB 4.13Å; R526-E529 HydrophobicContact CB-CG 4.43Å; R526-E529 WeakPolarHBondContact CB-OE2 3.29Å; R526-E529 IonicContact CZ-OE2 3.28Å; R526-E529 PolarHBondContact N-OE2 3.37Å; R526-E529 IonicContact NE-OE2 3.12Å; R526-E529 IonicContact NH2-OE1 3.56Å; R526-E529 PolarHBondContact NH2-OE1 3.09Å; R526-E529 IonicContact NH2-OE2 2.66Å; R526-E529 PolarHBondContact NH2-OE2 3.28Å; R526-E529 WeakPolarHBondContact O-CB 3.3Å; R526-E529 PolarHBondContact O-N 3.39Å; H527-E529 VanDerWaalsContact C-N 3.31Å; H527-E529 PolarHBondContact O-N 3.42Å; E529-H532 WeakPolarHBondContact O-CB 3.43Å; E529-H532 PolarHBondContact O-N 2.87Å; E529-A533 PolarHBondContact O-N 3.02Å
530	K	98.4	Very high	97	Very high	7 Å²	7	24.4 Å²	24.4	3%	0.03	11%	0.111	C	C	.	.	H	α-helix	trans	-65.6	-41.3	170.7	-64.1	-172.7	172.7	-169.3	0	111.5	Y518 F521 W522 R526 H527 H532 A533 N534	Y518-K530 HydrophobicContact CD1-CD 4.49Å; Y518-K530 HydrophobicContact CE1-CD 3.85Å; Y518-K530 HydrophobicContact CE2-CB 3.94Å; Y518-K530 HydrophobicContact CE2-CD 4.06Å; Y518-K530 PolarHBondContact O-NZ 3.37Å; F521-K530 HydrophobicContact CE1-CD 4.32Å; F521-K530 HydrophobicContact CE2-CB 4.33Å; F521-K530 HydrophobicContact CE2-CD 4.16Å; F521-K530 HydrophobicContact CE2-CG 3.8Å; F521-K530 HydrophobicContact CZ-CB 3.97Å; F521-K530 HydrophobicContact CZ-CD 3.86Å; F521-K530 HydrophobicContact CZ-CG 3.77Å; F521-K530 WeakPolarHBondContact O-CE 3.28Å; F521-K530 PolarHBondContact O-NZ 2.92Å; W522-K530 WeakPolarHBondContact O-CE 3.5Å; R526-K530 PolarHBondContact O-N 3.06Å; H527-K530 WeakPolarHBondContact O-CB 3.29Å; H527-K530 PolarHBondContact O-N 3.4Å; K530-H532 VanDerWaalsContact C-N 3.33Å; K530-A533 PolarHBondContact O-N 3.23Å; K530-N534 PolarHBondContact O-N 3.45Å; K530-N534 PolarHBondContact O-ND2 3.14Å
531	V	98.4	Very high	97.1	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.2	-39.5	174.3	174.6	0	0	0	0	110.7	I132 V163 L166 F292 H527 S528 A533 N534 L535	I132-V531 HydrophobicContact CD1-CG2 3.57Å; V163-V531 HydrophobicContact CG1-CG1 4.01Å; V163-V531 HydrophobicContact CG1-CG2 3.89Å; L166-V531 HydrophobicContact CD1-CB 4.19Å; L166-V531 HydrophobicContact CD1-CG1 4.42Å; L166-V531 HydrophobicContact CD1-CG2 3.86Å; F292-V531 HydrophobicContact CE2-CG1 4.07Å; F292-V531 HydrophobicContact CZ-CG1 4.03Å; H527-V531 WeakPolarHBondContact O-CG2 3.31Å; H527-V531 PolarHBondContact O-N 3.14Å; S528-V531 PolarHBondContact O-N 2.81Å; V531-A533 PolarHBondContact O-N 3.38Å; V531-N534 WeakPolarHBondContact O-CA 3.46Å; V531-N534 VanDerWaalsContact O-CB 3.27Å; V531-N534 WeakPolarHBondContact O-CB 3.31Å; V531-N534 PolarHBondContact O-N 2.8Å; V531-L535 WeakPolarHBondContact O-CG 3.4Å; V531-L535 PolarHBondContact O-N 2.76Å
532	H	98.4	Very high	97.3	Very high	19 Å²	19	23 Å²	23	9%	0.088	10%	0.099	C	C	.	.	H	α-helix	trans	-58.5	-45	172.6	-169.4	-173.9	0	0	0	112.1	H167 L451 S528 E529 K530 N534 L535 I536	H167-H532 PolarHBondContact NE2-N 3.04Å; L451-H532 PolarHBondContact O-CE1 3.39Å; L451-H532 PolarHBondContact O-NE2 3.37Å; S528-H532 PolarHBondContact O-N 2.58Å; E529-H532 WeakPolarHBondContact O-CB 3.43Å; E529-H532 PolarHBondContact O-N 2.87Å; K530-H532 VanDerWaalsContact C-N 3.33Å; H532-N534 VanDerWaalsContact C-N 3.28Å; H532-N534 PolarHBondContact O-N 2.86Å; H532-L535 WeakPolarHBondContact O-CB 3.49Å; H532-L535 PolarHBondContact O-N 3.21Å; H532-L535 VanDerWaalsContact O-N 3.13Å; H532-I536 PolarHBondContact O-N 3.41Å; H532-I536 VanDerWaalsContact O-N 3.11Å
533	A	98.4	Very high	97.5	Very high	2 Å²	2	23 Å²	23	2%	0.017	10%	0.099	C	C	.	.	H	α-helix	trans	-61.3	-36.4	173.5	0	0	0	0	0	112.5	L471 W522 E529 K530 V531 L535 I536 V537	L471-A533 HydrophobicContact CD1-CB 4.31Å; W522-A533 HydrophobicContact CH2-CB 4.08Å; W522-A533 HydrophobicContact CZ3-CB 3.72Å; E529-A533 PolarHBondContact O-N 3.02Å; K530-A533 PolarHBondContact O-N 3.23Å; V531-A533 PolarHBondContact O-N 3.38Å; A533-L535 VanDerWaalsContact C-N 3.33Å; A533-L535 PolarHBondContact O-N 3.13Å; A533-I536 PolarHBondContact O-N 3.45Å; A533-V537 VanDerWaalsContact O-CG2 3.3Å; A533-V537 WeakPolarHBondContact O-CG2 3.5Å; A533-V537 PolarHBondContact O-N 2.97Å
534	N	98.5	Very high	97.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-61.7	-40.1	173.7	-81.4	-105.1	0	0	0	111.9	F292 G295 C296 F502 M506 K530 V531 H532 V537 M538	F292-N534 HydrophobicContact CD2-CB 3.85Å; F292-N534 HydrophobicContact CE2-CB 3.98Å; G295-N534 WeakPolarHBondContact CA-OD1 3.47Å; G295-N534 PolarHBondContact O-OD1 2.85Å; C296-N534 PolarHBondContact N-OD1 3.5Å; F502-N534 WeakPolarHBondContact CZ-ND2 3.27Å; M506-N534 HydrophobicContact CE-CB 3.63Å; M506-N534 WeakPolarHBondContact CE-O 2.98Å; M506-N534 WeakPolarHBondContact CE-OD1 3.46Å; M506-N534 HydrophobicContact SD-CB 4.17Å; M506-N534 PolarHBondContact SD-OD1 2.94Å; K530-N534 PolarHBondContact O-N 3.45Å; K530-N534 PolarHBondContact O-ND2 3.14Å; V531-N534 WeakPolarHBondContact O-CA 3.46Å; V531-N534 VanDerWaalsContact O-CB 3.27Å; V531-N534 WeakPolarHBondContact O-CB 3.31Å; V531-N534 PolarHBondContact O-N 2.8Å; H532-N534 VanDerWaalsContact C-N 3.28Å; H532-N534 PolarHBondContact O-N 2.86Å; N534-V537 PolarHBondContact O-N 3.47Å; N534-M538 WeakPolarHBondContact O-CB 3.44Å; N534-M538 PolarHBondContact O-N 3.35Å
535	L	98.8	Very high	98	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62.3	-45.4	175.6	-63.1	178.7	0	0	0	111.5	M164 H167 Y170 F292 V448 L451 V531 H532 A533 V537 M538 E539	M164-L535 HydrophobicContact CE-CD2 4.47Å; M164-L535 HydrophobicContact CG-CD2 4.47Å; H167-L535 HydrophobicContact CB-CD1 3.96Å; Y170-L535 HydrophobicContact CD1-CD1 3.66Å; Y170-L535 HydrophobicContact CD1-CD2 3.59Å; Y170-L535 HydrophobicContact CD1-CG 4.22Å; Y170-L535 HydrophobicContact CD2-CD1 4.41Å; Y170-L535 HydrophobicContact CE1-CD1 4.32Å; Y170-L535 HydrophobicContact CE1-CD2 3.39Å; Y170-L535 HydrophobicContact CE1-CG 4.4Å; Y170-L535 HydrophobicContact CG-CD1 3.75Å; Y170-L535 HydrophobicContact CG-CD2 4.32Å; F292-L535 HydrophobicContact CD2-CD2 3.92Å; F292-L535 HydrophobicContact CE2-CD2 3.44Å; F292-L535 VanDerWaalsContact CE2-CD2 3.44Å; F292-L535 HydrophobicContact CE2-CG 4.11Å; F292-L535 HydrophobicContact CZ-CD2 4.19Å; V448-L535 HydrophobicContact CG2-CB 3.65Å; L451-L535 HydrophobicContact CD2-CD1 4.48Å; V531-L535 WeakPolarHBondContact O-CG 3.4Å; V531-L535 PolarHBondContact O-N 2.76Å; H532-L535 WeakPolarHBondContact O-CB 3.49Å; H532-L535 PolarHBondContact O-N 3.21Å; H532-L535 VanDerWaalsContact O-N 3.13Å; A533-L535 VanDerWaalsContact C-N 3.33Å; A533-L535 PolarHBondContact O-N 3.13Å; L535-V537 VanDerWaalsContact C-N 3.34Å; L535-V537 PolarHBondContact O-N 2.92Å; L535-M538 HydrophobicContact CD2-CE 4.11Å; L535-M538 PolarHBondContact O-N 3.08Å; L535-E539 WeakPolarHBondContact O-CG 3.32Å; L535-E539 PolarHBondContact O-N 2.87Å
536	I	98.8	Very high	98.2	Very high	5 Å²	5	10.5 Å²	10.5	3%	0.026	5%	0.05	C	C	.	.	H	α-helix	trans	-59.5	-44.7	176.4	-64.4	170.4	0	0	0	110.9	V448 R468 L471 W472 I475 H532 A533 A540	V448-I536 HydrophobicContact CG2-CG1 4.5Å; R468-I536 HydrophobicContact CB-CD1 4Å; R468-I536 HydrophobicContact CG-CD1 3.85Å; L471-I536 HydrophobicContact CB-CG2 3.98Å; L471-I536 HydrophobicContact CD1-CD1 4.36Å; W472-I536 HydrophobicContact CB-CG2 4.34Å; W472-I536 HydrophobicContact CE3-CG2 4.25Å; I475-I536 HydrophobicContact CD1-CG2 4.48Å; H532-I536 PolarHBondContact O-N 3.41Å; H532-I536 VanDerWaalsContact O-N 3.11Å; A533-I536 PolarHBondContact O-N 3.45Å; I536-A540 WeakPolarHBondContact O-CB 3.28Å; I536-A540 PolarHBondContact O-N 3.24Å
537	V	98.6	Very high	98.3	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-63.1	-43.2	177.5	175.2	0	0	0	0	111.9	I475 V503 M506 A507 A533 N534 L535 R541	I475-V537 HydrophobicContact CD1-CB 4.32Å; I475-V537 HydrophobicContact CD1-CG2 3.78Å; I475-V537 HydrophobicContact CG1-CG1 4.42Å; I475-V537 HydrophobicContact CG1-CG2 4.23Å; V503-V537 HydrophobicContact CB-CG2 4.36Å; V503-V537 HydrophobicContact CG1-CG2 4Å; V503-V537 HydrophobicContact CG2-CG2 3.94Å; M506-V537 HydrophobicContact CB-CG1 4.28Å; M506-V537 HydrophobicContact CE-CB 4.21Å; M506-V537 HydrophobicContact CE-CG1 4.23Å; M506-V537 HydrophobicContact CG-CG1 3.95Å; M506-V537 HydrophobicContact SD-CB 3.71Å; M506-V537 HydrophobicContact SD-CG1 3.59Å; M506-V537 VanDerWaalsContact SD-CG1 3.59Å; M506-V537 HydrophobicContact SD-CG2 4.15Å; A507-V537 HydrophobicContact CB-CG1 3.92Å; A533-V537 VanDerWaalsContact O-CG2 3.3Å; A533-V537 WeakPolarHBondContact O-CG2 3.5Å; A533-V537 PolarHBondContact O-N 2.97Å; N534-V537 PolarHBondContact O-N 3.47Å; L535-V537 VanDerWaalsContact C-N 3.34Å; L535-V537 PolarHBondContact O-N 2.92Å; V537-R541 WeakPolarHBondContact O-CB 3.44Å; V537-R541 PolarHBondContact O-N 3.03Å
538	M	98.5	Very high	98.4	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-60.6	-51.8	179	-177.3	174.6	74.2	0	0	111.4	M164 Y170 S288 L289 F292 N534 L535 R541 L542	M164-M538 HydrophobicContact CE-CE 3.84Å; M164-M538 HydrophobicContact CE-SD 4.14Å; Y170-M538 HydrophobicContact CE1-CE 4.13Å; Y170-M538 WeakPolarHBondContact OH-CE 3.46Å; S288-M538 VanDerWaalsContact CB-O 3.3Å; S288-M538 WeakPolarHBondContact CB-O 3.26Å; S288-M538 WeakPolarHBondContact O-CG 3.25Å; L289-M538 HydrophobicContact CD2-SD 3.69Å; L289-M538 HydrophobicContact CG-SD 4.47Å; F292-M538 HydrophobicContact CB-CG 4.45Å; F292-M538 HydrophobicContact CB-SD 3.52Å; F292-M538 VanDerWaalsContact CB-SD 3.52Å; F292-M538 HydrophobicContact CD2-SD 4.28Å; F292-M538 HydrophobicContact CG-SD 4.07Å; N534-M538 WeakPolarHBondContact O-CB 3.44Å; N534-M538 PolarHBondContact O-N 3.35Å; L535-M538 HydrophobicContact CD2-CE 4.11Å; L535-M538 PolarHBondContact O-N 3.08Å; M538-R541 PolarHBondContact O-N 3.08Å; M538-L542 PolarHBondContact O-N 3.45Å
539	E	98.7	Very high	98.5	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-70.5	-42	-176.7	-68.6	-55.3	150	0	0	113	Y170 F445 V448 W472 L535 R541 L542 Q543	Y170-E539 HydrophobicContact CE2-CG 4.05Å; Y170-E539 PolarHBondContact OH-OE1 3.4Å; F445-E539 HydrophobicContact CD1-CB 4.26Å; F445-E539 WeakPolarHBondContact CD1-OE2 3.45Å; F445-E539 VanDerWaalsContact CE1-OE2 3.3Å; F445-E539 WeakPolarHBondContact CE1-OE2 3.3Å; V448-E539 HydrophobicContact CB-CG 4.03Å; V448-E539 HydrophobicContact CG1-CB 3.75Å; V448-E539 HydrophobicContact CG1-CG 3.8Å; V448-E539 HydrophobicContact CG2-CG 4.13Å; W472-E539 HydrophobicContact CH2-CB 4.1Å; W472-E539 HydrophobicContact CZ3-CB 3.79Å; L535-E539 WeakPolarHBondContact O-CG 3.32Å; L535-E539 PolarHBondContact O-N 2.87Å; E539-R541 VanDerWaalsContact C-N 3.27Å; E539-R541 PolarHBondContact O-N 3.44Å; E539-L542 WeakPolarHBondContact O-CB 3.24Å; E539-L542 PolarHBondContact O-N 3.47Å; E539-Q543 PolarHBondContact O-N 2.92Å
540	A	98.7	Very high	98.5	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-62.1	-38.6	175.9	0	0	0	0	0	111.2	W472 I475 H476 I536 A544	W472-A540 HydrophobicContact CD2-CB 3.72Å; W472-A540 HydrophobicContact CE3-CB 3.73Å; W472-A540 HydrophobicContact CG-CB 4.24Å; W472-A540 HydrophobicContact CH2-CB 4.23Å; W472-A540 HydrophobicContact CZ2-CB 4.22Å; W472-A540 HydrophobicContact CZ3-CB 4Å; I475-A540 HydrophobicContact CB-CB 3.85Å; I475-A540 HydrophobicContact CD1-CB 4.23Å; I475-A540 HydrophobicContact CG1-CB 4.44Å; I475-A540 HydrophobicContact CG2-CB 3.77Å; H476-A540 PolarHBondContact CD2-O 2.99Å; H476-A540 PolarHBondContact NE2-O 3.04Å; I536-A540 WeakPolarHBondContact O-CB 3.28Å; I536-A540 PolarHBondContact O-N 3.24Å; A540-A544 WeakPolarHBondContact O-CB 3.42Å; A540-A544 PolarHBondContact O-N 3.47Å
541	R	98.4	Very high	98.5	Very high	5 Å²	5	6.4 Å²	6.4	2%	0.019	3%	0.028	C	C	.	.	H	α-helix	trans	-65	-44.4	174.3	179.7	-179.9	-176.1	-158.5	-6.8	111.8	H204 A248 H287 S291 I475 Y479 A507 V537 M538 E539 A544 A545	H204-R541 PolarHBondContact CE1-NH2 3.14Å; H204-R541 PolarHBondContact NE2-NH2 3.39Å; A248-R541 PolarHBondContact O-NH2 3.01Å; H287-R541 PolarHBondContact O-NH1 2.88Å; S291-R541 WeakPolarHBondContact OG-CD 3.37Å; S291-R541 PolarHBondContact OG-NH1 2.98Å; I475-R541 HydrophobicContact CG2-CB 4.46Å; Y479-R541 HydrophobicContact CE2-CG 4.12Å; Y479-R541 PolarHBondContact OH-NE 3.45Å; Y479-R541 VanDerWaalsContact OH-NE 3.11Å; A507-R541 WeakPolarHBondContact O-CD 3.5Å; A507-R541 VanDerWaalsContact O-CZ 3.29Å; A507-R541 PolarHBondContact O-NE 3.39Å; V537-R541 WeakPolarHBondContact O-CB 3.44Å; V537-R541 PolarHBondContact O-N 3.03Å; M538-R541 PolarHBondContact O-N 3.08Å; E539-R541 VanDerWaalsContact C-N 3.27Å; E539-R541 PolarHBondContact O-N 3.44Å; R541-A544 PolarHBondContact O-N 3.07Å; R541-A545 PolarHBondContact O-N 3.41Å; R541-A545 VanDerWaalsContact O-N 3.09Å
542	L	98.8	Very high	98.5	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.005	3%	0.03	C	C	.	.	H	α-helix	trans	-57.9	-51.7	176.8	174.4	55.8	0	0	0	110.4	A284 L441 F445 M538 E539 A544 A545 L546	A284-L542 VanDerWaalsContact C-CD1 3.47Å; A284-L542 HydrophobicContact CB-CD1 3.59Å; L441-L542 HydrophobicContact CD2-CD2 4.29Å; F445-L542 HydrophobicContact CE1-CB 4.38Å; F445-L542 HydrophobicContact CE1-CD2 4.11Å; F445-L542 HydrophobicContact CE1-CG 4.13Å; F445-L542 HydrophobicContact CZ-CD2 4.36Å; F445-L542 HydrophobicContact CZ-CG 4.17Å; M538-L542 PolarHBondContact O-N 3.45Å; E539-L542 WeakPolarHBondContact O-CB 3.24Å; E539-L542 PolarHBondContact O-N 3.47Å; L542-A544 PolarHBondContact O-N 3.32Å; L542-A545 PolarHBondContact O-N 3.23Å; L542-L546 PolarHBondContact O-N 3.16Å; L542-L546 WeakPolarHBondContact O-CG 3.34Å; L542-L546 HydrophobicContact CD1-CG 4.05Å; L542-L546 HydrophobicContact CD1-CD1 3.88Å; L542-L546 HydrophobicContact CG-CD1 4.09Å
543	Q	98.8	Very high	98.4	Very high	17 Å²	17	5.8 Å²	5.8	8%	0.079	3%	0.025	C	C	.	.	H	α-helix	trans	-60.1	-46.3	-179.7	-167.9	177.9	97	0	0	111.4	W422 F445 W472 H476 E539 A545 L546 L547	W422-Q543 HydrophobicContact CB-CG 4.46Å; F445-Q543 HydrophobicContact CD1-CB 4.43Å; F445-Q543 HydrophobicContact CE1-CB 3.84Å; F445-Q543 HydrophobicContact CE2-CB 4.26Å; F445-Q543 HydrophobicContact CE2-CG 4.1Å; F445-Q543 HydrophobicContact CZ-CB 3.75Å; F445-Q543 HydrophobicContact CZ-CG 4.1Å; W472-Q543 HydrophobicContact CH2-CB 4.42Å; W472-Q543 HydrophobicContact CZ2-CB 4.1Å; W472-Q543 HydrophobicContact CZ2-CG 4.47Å; H476-Q543 PolarHBondContact CE1-OE1 2.71Å; E539-Q543 PolarHBondContact O-N 2.92Å; Q543-A545 PolarHBondContact O-N 3.17Å; Q543-L546 PolarHBondContact O-N 3.34Å; Q543-L547 HydrophobicContact CG-CD1 4.03Å; Q543-L547 HydrophobicContact CG-CG 4.22Å; Q543-L547 VanDerWaalsContact O-CG 3.27Å; Q543-L547 WeakPolarHBondContact O-CG 3.33Å; Q543-L547 PolarHBondContact O-N 2.79Å
544	A	98.4	Very high	98.4	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-57.9	-46.7	178.1	0	0	0	0	0	112.7	Y479 I481 A540 R541 L542 L546 L547 Y548	Y479-A544 HydrophobicContact CD2-CB 4.29Å; Y479-A544 HydrophobicContact CG-CB 4.12Å; I481-A544 HydrophobicContact CD1-CB 3.67Å; A540-A544 WeakPolarHBondContact O-CB 3.42Å; A540-A544 PolarHBondContact O-N 3.47Å; R541-A544 PolarHBondContact O-N 3.07Å; L542-A544 PolarHBondContact O-N 3.32Å; A544-L546 PolarHBondContact O-N 3.33Å; A544-L547 PolarHBondContact O-N 2.83Å; A544-Y548 VanDerWaalsContact O-CD2 3.27Å; A544-Y548 WeakPolarHBondContact O-CD2 3.49Å; A544-Y548 PolarHBondContact O-N 3.43Å
545	A	98.1	Very high	98.3	Very high	4 Å²	4	8.8 Å²	8.8	3%	0.033	5%	0.047	C	C	.	.	H	α-helix	trans	-64.3	-39.9	179.3	0	0	0	0	0	112.4	L247 P251 A284 R541 L542 Q543 T549	L247-A545 HydrophobicContact CD2-CB 4.1Å; P251-A545 HydrophobicContact CB-CB 4.42Å; A284-A545 HydrophobicContact CB-CB 4.33Å; R541-A545 PolarHBondContact O-N 3.41Å; R541-A545 VanDerWaalsContact O-N 3.09Å; L542-A545 PolarHBondContact O-N 3.23Å; Q543-A545 PolarHBondContact O-N 3.17Å; A545-T549 PolarHBondContact O-OG1 3.39Å; A545-T549 VanDerWaalsContact O-OG1 3.08Å
546	L	98.6	Very high	98.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-64	-50.1	175.3	-70.6	177.6	0	0	0	111.1	V280 I281 A284 L441 F445 L542 Q543 A544 Y548 T549 L550	V280-L546 HydrophobicContact CG1-CD2 4Å; I281-L546 HydrophobicContact CG1-CD2 3.96Å; A284-L546 HydrophobicContact CB-CD2 3.89Å; A284-L546 HydrophobicContact CB-CG 4.22Å; L441-L546 HydrophobicContact CD1-CD1 4.15Å; F445-L546 HydrophobicContact CZ-CD1 4.3Å; L542-L546 PolarHBondContact O-N 3.16Å; L542-L546 WeakPolarHBondContact O-CG 3.34Å; L542-L546 HydrophobicContact CD1-CG 4.05Å; L542-L546 HydrophobicContact CD1-CD1 3.88Å; L542-L546 HydrophobicContact CG-CD1 4.09Å; Q543-L546 PolarHBondContact O-N 3.34Å; A544-L546 PolarHBondContact O-N 3.33Å; L546-Y548 VanDerWaalsContact C-N 3.33Å; L546-Y548 PolarHBondContact O-N 3.48Å; L546-T549 PolarHBondContact O-N 2.78Å; L546-L550 PolarHBondContact O-N 3.46Å; L546-L550 WeakPolarHBondContact O-CB 3.05Å; L546-L550 HydrophobicContact CB-CD1 4.07Å; L546-L550 WeakPolarHBondContact O-CG 3.44Å
547	L	98.6	Very high	98	Very high	4 Å²	4	14.5 Å²	14.5	2%	0.021	7%	0.073	C	C	.	.	H	α-helix	trans	-55.2	-44.6	-175.6	-71.8	174.1	0	0	0	113	M415 Y420 W422 I481 Q543 A544 T549 R551	M415-L547 HydrophobicContact CE-CB 3.91Å; M415-L547 HydrophobicContact CE-CD1 4.32Å; Y420-L547 HydrophobicContact CD1-CD2 4.07Å; Y420-L547 HydrophobicContact CE1-CD2 4.31Å; W422-L547 HydrophobicContact CB-CD2 4.17Å; I481-L547 HydrophobicContact CD1-CD1 4.31Å; Q543-L547 HydrophobicContact CG-CD1 4.03Å; Q543-L547 HydrophobicContact CG-CG 4.22Å; Q543-L547 VanDerWaalsContact O-CG 3.27Å; Q543-L547 WeakPolarHBondContact O-CG 3.33Å; Q543-L547 PolarHBondContact O-N 2.79Å; A544-L547 PolarHBondContact O-N 2.83Å; L547-T549 PolarHBondContact O-N 3Å; L547-T549 VanDerWaalsContact C-N 3.34Å; L547-R551 VanDerWaalsContact O-CB 3.22Å; L547-R551 WeakPolarHBondContact O-CB 3.47Å; L547-R551 PolarHBondContact O-N 3.14Å
548	Y	98.4	Very high	97.5	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.008	12%	0.117	C	C	.	.	H	α-helix	trans	-62.3	-40.4	177.5	-79.9	-65.8	0	0	0	113.3	P251 W252 M415 Y479 G480 I481 A544 L546 S552	P251-Y548 HydrophobicContact CB-CD2 3.96Å; P251-Y548 HydrophobicContact CB-CG 4.39Å; P251-Y548 HydrophobicContact CG-CD2 4.06Å; P251-Y548 VanDerWaalsContact O-CB 3.28Å; P251-Y548 WeakPolarHBondContact O-CB 3.28Å; W252-Y548 HydrophobicContact CB-CD1 4.12Å; W252-Y548 HydrophobicContact CB-CD2 4.46Å; W252-Y548 HydrophobicContact CB-CE1 3.67Å; W252-Y548 HydrophobicContact CB-CE2 4.06Å; M415-Y548 HydrophobicContact CB-CE1 3.93Å; M415-Y548 HydrophobicContact CE-CE1 4.34Å; M415-Y548 HydrophobicContact CG-CE1 4.47Å; M415-Y548 HydrophobicContact SD-CD1 3.96Å; M415-Y548 HydrophobicContact SD-CE1 3.73Å; Y479-Y548 WeakPolarHBondContact O-CE2 3.26Å; Y479-Y548 PolarHBondContact O-OH 3.06Å; G480-Y548 PolarHBondContact O-OH 2.63Å; I481-Y548 HydrophobicContact CD1-CE2 3.97Å; I481-Y548 HydrophobicContact CG1-CE2 3.83Å; A544-Y548 VanDerWaalsContact O-CD2 3.27Å; A544-Y548 WeakPolarHBondContact O-CD2 3.49Å; A544-Y548 PolarHBondContact O-N 3.43Å; L546-Y548 VanDerWaalsContact C-N 3.33Å; L546-Y548 PolarHBondContact O-N 3.48Å; Y548-S552 PolarHBondContact O-N 2.88Å; Y548-S552 PolarHBondContact O-OG 3.41Å
549	T	97.9	Very high	97.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-74.6	-44.5	-178.6	-50.9	0	0	0	0	111.1	L243 L247 I254 I259 V280 A545 L546 L547 R551 S552 I553	L243-T549 HydrophobicContact CD1-CG2 4.33Å; L247-T549 WeakPolarHBondContact CD2-OG1 3.47Å; I254-T549 WeakPolarHBondContact CD1-OG1 3.32Å; I254-T549 HydrophobicContact CG2-CG2 4.49Å; I259-T549 HydrophobicContact CD1-CG2 4.3Å; V280-T549 HydrophobicContact CB-CG2 4.4Å; V280-T549 HydrophobicContact CG1-CG2 3.69Å; V280-T549 HydrophobicContact CG2-CG2 3.76Å; A545-T549 PolarHBondContact O-OG1 3.39Å; A545-T549 VanDerWaalsContact O-OG1 3.08Å; L546-T549 PolarHBondContact O-N 2.78Å; L547-T549 PolarHBondContact O-N 3Å; L547-T549 VanDerWaalsContact C-N 3.34Å; T549-R551 VanDerWaalsContact C-N 3.33Å; T549-R551 PolarHBondContact O-N 3.46Å; T549-S552 PolarHBondContact O-N 2.67Å; T549-S552 VanDerWaalsContact O-N 3.11Å; T549-S552 WeakPolarHBondContact O-CB 3.5Å; T549-I553 HydrophobicContact CG2-CD1 4.23Å; T549-I553 WeakPolarHBondContact O-CG1 3.49Å; T549-I553 PolarHBondContact O-N 3.42Å
550	L	98.5	Very high	97.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.4	-43.8	176	-67.4	174.9	0	0	0	111	I277 Y420 W422 L429 V430 L546 S552 I553 T554	I277-L550 HydrophobicContact CD1-CD2 3.38Å; Y420-L550 HydrophobicContact CE1-CB 3.77Å; Y420-L550 WeakPolarHBondContact OH-CB 3.5Å; Y420-L550 PolarHBondContact OH-O 3.28Å; W422-L550 HydrophobicContact CE3-CD1 4.36Å; W422-L550 HydrophobicContact CZ3-CD1 4.06Å; L429-L550 HydrophobicContact CD2-CB 4.03Å; L429-L550 HydrophobicContact CD2-CD2 3.8Å; L429-L550 WeakPolarHBondContact CD2-O 3.31Å; L429-L550 HydrophobicContact CG-CD2 4.33Å; V430-L550 HydrophobicContact CG2-CD1 4.06Å; V430-L550 HydrophobicContact CG2-CD2 3.78Å; L546-L550 PolarHBondContact O-N 3.46Å; L546-L550 WeakPolarHBondContact O-CB 3.05Å; L546-L550 HydrophobicContact CB-CD1 4.07Å; L546-L550 WeakPolarHBondContact O-CG 3.44Å; L550-S552 VanDerWaalsContact C-N 3.28Å; L550-S552 PolarHBondContact O-N 2.92Å; L550-I553 PolarHBondContact O-N 2.9Å; L550-I553 VanDerWaalsContact O-N 3.17Å; L550-T554 PolarHBondContact O-N 2.87Å; L550-T554 PolarHBondContact O-OG1 3.06Å
551	R	97.9	Very high	97.3	Very high	75 Å²	75	28.8 Å²	28.8	28%	0.283	14%	0.137	S	C	.	.	H	α-helix	trans	-56.6	-43.5	173.7	-170.8	-176.7	80.3	174.7	5.6	111.9	M415 Y420 L547 T549 T554 A555	M415-R551 PolarHBondContact SD-NH1 3.24Å; Y420-R551 HydrophobicContact CD1-CB 3.93Å; Y420-R551 HydrophobicContact CD1-CG 4.48Å; Y420-R551 HydrophobicContact CD2-CB 3.95Å; Y420-R551 HydrophobicContact CD2-CG 3.8Å; Y420-R551 HydrophobicContact CE1-CB 4.12Å; Y420-R551 HydrophobicContact CE2-CB 4.11Å; Y420-R551 HydrophobicContact CE2-CG 4.29Å; Y420-R551 HydrophobicContact CG-CB 3.83Å; Y420-R551 HydrophobicContact CG-CG 3.89Å; L547-R551 VanDerWaalsContact O-CB 3.22Å; L547-R551 WeakPolarHBondContact O-CB 3.47Å; L547-R551 PolarHBondContact O-N 3.14Å; T549-R551 VanDerWaalsContact C-N 3.33Å; T549-R551 PolarHBondContact O-N 3.46Å; R551-T554 PolarHBondContact O-N 2.91Å; R551-A555 WeakPolarHBondContact O-CB 3.39Å; R551-A555 PolarHBondContact O-N 3.33Å
552	S	97.8	Very high	97.3	Very high	6 Å²	6	30.2 Å²	30.2	4%	0.042	14%	0.144	C	C	.	.	H	α-helix	trans	-68.3	-37.2	178.2	-59.9	0	0	0	0	112.5	I254 Y548 T549 L550 A555 Y556	I254-S552 PolarHBondContact O-OG 3.18Å; Y548-S552 PolarHBondContact O-N 2.88Å; Y548-S552 PolarHBondContact O-OG 3.41Å; T549-S552 PolarHBondContact O-N 2.67Å; T549-S552 VanDerWaalsContact O-N 3.11Å; T549-S552 WeakPolarHBondContact O-CB 3.5Å; L550-S552 VanDerWaalsContact C-N 3.28Å; L550-S552 PolarHBondContact O-N 2.92Å; S552-A555 PolarHBondContact O-N 2.94Å; S552-Y556 PolarHBondContact O-N 3.14Å
553	I	97.9	Very high	97.2	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65.5	-44.7	172.9	-68	168.6	0	0	0	110.5	I259 L273 I277 L429 L433 T549 L550 A555 Y556 I557	I259-I553 HydrophobicContact CD1-CG1 3.79Å; I259-I553 HydrophobicContact CG1-CG1 4.06Å; I259-I553 HydrophobicContact CG2-CG1 4.08Å; L273-I553 HydrophobicContact CD2-CG2 4.15Å; I277-I553 HydrophobicContact CD1-CD1 4.05Å; L429-I553 HydrophobicContact CD1-CG2 4.45Å; L429-I553 HydrophobicContact CD2-CB 4.15Å; L429-I553 HydrophobicContact CD2-CG2 3.96Å; L433-I553 HydrophobicContact CD1-CG2 4.06Å; T549-I553 HydrophobicContact CG2-CD1 4.23Å; T549-I553 WeakPolarHBondContact O-CG1 3.49Å; T549-I553 PolarHBondContact O-N 3.42Å; L550-I553 PolarHBondContact O-N 2.9Å; L550-I553 VanDerWaalsContact O-N 3.17Å; I553-A555 VanDerWaalsContact C-N 3.29Å; I553-A555 PolarHBondContact O-N 3.08Å; I553-Y556 PolarHBondContact O-N 3.44Å; I553-Y556 VanDerWaalsContact O-N 3.15Å; I553-I557 HydrophobicContact CG2-CD1 3.67Å; I553-I557 PolarHBondContact O-N 2.8Å; I553-I557 WeakPolarHBondContact O-CG1 3.38Å; I553-I557 HydrophobicContact CG2-CG1 4.36Å
554	T	97.6	Very high	97.1	Very high	27 Å²	27	33 Å²	33	17%	0.166	16%	0.157	C	C	.	.	H	α-helix	trans	-58.2	-42.9	174.6	-62.7	0	0	0	0	111.3	Y420 L550 R551 Y556 I557 K558	Y420-T554 HydrophobicContact CE2-CG2 4.24Å; Y420-T554 WeakPolarHBondContact CE2-OG1 3.33Å; Y420-T554 PolarHBondContact OH-OG1 3.48Å; L550-T554 PolarHBondContact O-N 2.87Å; L550-T554 PolarHBondContact O-OG1 3.06Å; R551-T554 PolarHBondContact O-N 2.91Å; T554-Y556 VanDerWaalsContact C-N 3.32Å; T554-Y556 PolarHBondContact O-N 3.43Å; T554-I557 PolarHBondContact O-N 3.28Å; T554-K558 HydrophobicContact CG2-CD 4.37Å; T554-K558 WeakPolarHBondContact O-CG 3.37Å; T554-K558 PolarHBondContact O-N 2.8Å
555	A	96.5	Very high	97	Very high	38 Å²	38	35.4 Å²	35.4	31%	0.314	17%	0.169	S	C	.	.	H	α-helix	trans	-65.1	-33.5	177	0	0	0	0	0	112.8	Q256 R551 S552 I553	Q256-A555 HydrophobicContact CB-CB 4.48Å; Q256-A555 PolarHBondContact NE2-O 3.48Å; R551-A555 WeakPolarHBondContact O-CB 3.39Å; R551-A555 PolarHBondContact O-N 3.33Å; S552-A555 PolarHBondContact O-N 2.94Å; I553-A555 VanDerWaalsContact C-N 3.29Å; I553-A555 PolarHBondContact O-N 3.08Å
556	Y	96.5	Very high	96.9	Very high	64 Å²	64	37.8 Å²	37.8	25%	0.251	18%	0.179	S	C	.	.	H	α-helix	trans	-70.5	-37.1	174.4	176.5	-97.8	0	0	0	113.7	Q256 I259 Q260 V263 L273 S552 I553 T554	Q256-Y556 HydrophobicContact CG-CD2 4.26Å; I259-Y556 HydrophobicContact CG2-CD1 4.17Å; I259-Y556 HydrophobicContact CG2-CG 3.97Å; Q260-Y556 HydrophobicContact CB-CD2 3.93Å; Q260-Y556 HydrophobicContact CB-CE2 3.78Å; Q260-Y556 HydrophobicContact CG-CE2 3.96Å; V263-Y556 HydrophobicContact CG2-CD1 3.88Å; V263-Y556 HydrophobicContact CG2-CE1 3.23Å; V263-Y556 HydrophobicContact CG2-CE2 4.1Å; L273-Y556 HydrophobicContact CD2-CD1 4.4Å; S552-Y556 PolarHBondContact O-N 3.14Å; I553-Y556 PolarHBondContact O-N 3.44Å; I553-Y556 VanDerWaalsContact O-N 3.15Å; T554-Y556 VanDerWaalsContact C-N 3.32Å; T554-Y556 PolarHBondContact O-N 3.43Å
557	I	94.4	Very high	96.7	Very high	61 Å²	61	40.9 Å²	40.9	31%	0.313	19%	0.194	S	C	.	.	H	α-helix	trans	-74.9	-27.9	-177.8	-67.5	168.6	0	0	0	111.9	L273 L429 L433 I553 T554	L273-I557 HydrophobicContact CD1-CD1 3.92Å; L273-I557 HydrophobicContact CD1-CG1 3.88Å; L429-I557 HydrophobicContact CD1-CD1 4.09Å; L433-I557 HydrophobicContact CD1-CD1 4.46Å; I553-I557 HydrophobicContact CG2-CD1 3.67Å; I553-I557 PolarHBondContact O-N 2.8Å; I553-I557 WeakPolarHBondContact O-CG1 3.38Å; I553-I557 HydrophobicContact CG2-CG1 4.36Å; T554-I557 PolarHBondContact O-N 3.28Å
558	K	88.8	Confident	96.6	Very high	214 Å²	214	44.3 Å²	44.3	93%	0.93	21%	0.21	S	C	*	.			trans	-74.8	0	173.2	-73.3	178.5	178.8	-179	0	110.3	T554	T554-K558 HydrophobicContact CG2-CD 4.37Å; T554-K558 WeakPolarHBondContact O-CG 3.37Å; T554-K558 PolarHBondContact O-N 2.8Å

Retrieved 558 of 558 residues in 640.6 ms (Link to these results)

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