A0A5K4FDG2_SCHMA Loading...

G2/mitotic-specific cyclin-B3

AlphaFold DB , UniProt , Accession A0A5K4FDG2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 674 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	30.2	Very low	25.7	Very low	248 Å²	248	166.5 Å²	166.5	100%	1.222	88%	0.878	S	S	*	*				0	31.8	0	-67.9	-176.4	-168	0	0	114.4
2	S	22.9	Very low	25.5	Very low	123 Å²	123	166.1 Å²	166.1	86%	0.86	87%	0.868	S	S	*	*			trans	-128.7	21.1	-166.8	-151.1	0	0	0	0	117.2
3	V	24.3	Very low	25.6	Very low	137 Å²	137	165.8 Å²	165.8	83%	0.83	87%	0.865	S	S	*	*	S	Bend	trans	-138.7	146.3	177.7	-168.4	0	0	0	0	110.3
4	C	26.3	Very low	25.6	Very low	126 Å²	126	166.3 Å²	166.3	85%	0.851	86%	0.861	S	S	*	*			trans	85.7	27.6	177.5	-60.7	0	0	0	0	119.5
5	L	26.4	Very low	25.5	Very low	179 Å²	179	163.1 Å²	163.1	94%	0.937	86%	0.857	S	S	*	*			trans	-89.7	17.7	169.8	-124	169.9	0	0	0	114.9
6	K	25.9	Very low	25.5	Very low	190 Å²	190	166.2 Å²	166.2	83%	0.826	86%	0.861	S	S	*	*			trans	-119.8	4	-160.5	-96	-173.1	177.5	-179.7	0	120.1
7	H	27.3	Very low	25.6	Very low	191 Å²	191	166.2 Å²	166.2	88%	0.884	85%	0.853	S	S	*	*			trans	-135.1	50.9	-178.2	-76.5	-56.2	0	0	0	116.2
8	L	24.7	Very low	25.6	Very low	178 Å²	178	165.4 Å²	165.4	93%	0.932	85%	0.845	S	S	*	*			trans	-107.2	97.3	156.3	-83.7	167.2	0	0	0	109
9	K	25.1	Very low	25.6	Very low	181 Å²	181	169.5 Å²	169.5	79%	0.787	85%	0.849	S	S	*	*			trans	-149.7	130.9	169.6	-116.5	-176.4	178.4	-173.6	0	110.5
10	F	24.2	Very low	25.5	Very low	147 Å²	147	166.7 Å²	166.7	65%	0.645	85%	0.846	S	S	*	*			trans	61.5	103.9	168.3	-62.9	-74.5	0	0	0	119.8	E12	F10-E12 WeakPolarHBondContact CE1-OE2 3.49Å
11	C	25.7	Very low	25.7	Very low	131 Å²	131	164.1 Å²	164.1	89%	0.885	84%	0.841	S	S	*	*				-144.9	106.4	100.3	-95.8	0	0	0	0	108.3
12	E	23	Very low	25.4	Very low	162 Å²	162	158 Å²	158	76%	0.757	82%	0.817	S	S	*	*			trans	-84.5	128	168.9	-66	172.6	130.3	0	0	108.2	F10	F10-E12 WeakPolarHBondContact CE1-OE2 3.49Å
13	I	27.3	Very low	25.4	Very low	162 Å²	162	159.2 Å²	159.2	83%	0.831	81%	0.812	S	S	*	*			trans	-132.3	134.7	163	-61.5	-176.9	0	0	0	107.1
14	H	25.7	Very low	25.4	Very low	173 Å²	173	158.5 Å²	158.5	80%	0.801	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-59.8	136	-159.1	-97.8	-115.5	0	0	0	115.6	F16	H14-F16 PolarHBondContact O-N 3.02Å
15	C	23	Very low	25.3	Very low	119 Å²	119	158 Å²	158	80%	0.804	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-70	121.5	154.8	-63.7	0	0	0	0	109.6
16	F	26.5	Very low	25.2	Very low	212 Å²	212	157.1 Å²	157.1	93%	0.93	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-85	141.6	156.5	-116.4	-89.6	0	0	0	110.1	H14	H14-F16 PolarHBondContact O-N 3.02Å
17	K	25.9	Very low	25	Very low	166 Å²	166	157.1 Å²	157.1	72%	0.722	79%	0.792	S	S	*	*			trans	-111.6	145.1	-160.5	-131.5	-178.4	177.5	-173.6	0	110.5
18	H	26.2	Very low	24.9	Very low	152 Å²	152	157 Å²	157	70%	0.704	79%	0.79	S	S	*	*			trans	58	113.5	163	-58.7	-75.6	0	0	0	119
19	R	26.3	Very low	24.8	Very low	243 Å²	243	154.5 Å²	154.5	92%	0.917	78%	0.782	S	S	*	*				177	122.6	92.3	-91.5	-175.7	-178.4	180	0.3	110.9
20	S	23.5	Very low	24.8	Very low	113 Å²	113	155.8 Å²	155.8	79%	0.79	79%	0.787	S	S	*	*			trans	-65.8	165.2	149	-35.6	0	0	0	0	108.7
21	P	29.2	Very low	24.8	Very low	114 Å²	114	157.3 Å²	157.3	74%	0.74	79%	0.794	S	S	*	*			cis	-145.1	-154.9	23.1	39.6	-16	0	0	0	114.6
22	T	24.9	Very low	24.6	Very low	119 Å²	119	160.9 Å²	160.9	73%	0.73	79%	0.794	S	S	*	*			trans	111.5	113.4	149.8	-41.4	0	0	0	0	115.9
23	I	22.2	Very low	24.6	Very low	148 Å²	148	158.9 Å²	158.9	76%	0.759	79%	0.793	S	S	*	*			trans	-69.3	130.9	170.1	-64.6	157.1	0	0	0	108.9	T25	I23-T25 HydrophobicContact CG2-CG2 3.98Å
24	V	25.2	Very low	24.3	Very low	123 Å²	123	159 Å²	159	75%	0.745	80%	0.795	S	S	*	*			trans	-127.3	111.5	154.2	-179.7	0	0	0	0	108.2
25	T	22.6	Very low	24.3	Very low	114 Å²	114	159.8 Å²	159.8	70%	0.699	80%	0.799	S	S	*	*			trans	-78.8	124.1	175.8	39.8	0	0	0	0	110.3	I23	I23-T25 HydrophobicContact CG2-CG2 3.98Å
26	H	24.8	Very low	24.3	Very low	162 Å²	162	165.4 Å²	165.4	75%	0.75	80%	0.803	S	S	*	*			trans	-110.8	94.9	156.5	-94.4	-81.6	0	0	0	109.6	F28	H26-F28 PolarHBondContact O-N 3.35Å
27	K	22.8	Very low	24.1	Very low	189 Å²	189	160.4 Å²	160.4	82%	0.822	80%	0.795	S	S	*	*			trans	-64	116.7	162.5	-82.8	178	170.7	176.3	0	108.2
28	F	24.7	Very low	24	Very low	190 Å²	190	157.8 Å²	157.8	83%	0.833	80%	0.797	S	S	*	*			trans	-105.8	94.8	158.7	-100.7	-82.5	0	0	0	109.6	H26 F30	H26-F28 PolarHBondContact O-N 3.35Å; F28-F30 PolarHBondContact O-N 3.3Å
29	T	22.6	Very low	24	Very low	124 Å²	124	157.2 Å²	157.2	76%	0.761	81%	0.809	S	S	*	*			trans	-73.4	108.6	169.4	38	0	0	0	0	110.1	K31	T29-K31 PolarHBondContact O-N 3.26Å
30	F	23.6	Very low	23.8	Very low	208 Å²	208	149 Å²	149	91%	0.912	80%	0.799	S	S	*	*			trans	-84.8	91.9	170.6	-144.2	-91.2	0	0	0	110	F28	F28-F30 PolarHBondContact O-N 3.3Å
31	K	24.6	Very low	23.9	Very low	179 Å²	179	152.1 Å²	152.1	78%	0.778	81%	0.806	S	S	*	*			trans	-73.5	126.2	173.8	-119.8	-177.2	179.8	-176.8	0	109.2	T29 T33	T29-K31 PolarHBondContact O-N 3.26Å; K31-T33 PolarHBondContact O-N 3.39Å
32	K	21.9	Very low	23.7	Very low	206 Å²	206	154.8 Å²	154.8	90%	0.896	81%	0.806	S	S	*	*			trans	-63	122.7	165.7	-79	-179.7	172.7	179.4	0	109.3
33	T	23.6	Very low	23.7	Very low	120 Å²	120	160.3 Å²	160.3	74%	0.736	82%	0.815	S	S	*	*			trans	-141.7	103.5	160.5	-39.5	0	0	0	0	109.4	K31	K31-T33 PolarHBondContact O-N 3.39Å
34	L	21	Very low	23.9	Very low	165 Å²	165	158.8 Å²	158.8	86%	0.864	81%	0.808	S	S	*	*			trans	-68.9	129.5	156.6	-96.3	75	0	0	0	107.5
35	Q	26.2	Very low	24	Very low	189 Å²	189	158.8 Å²	158.8	88%	0.883	80%	0.804	S	S	*	*			trans	-164.1	149.1	136.6	-113	168.9	1.8	0	0	113.3
36	R	22	Very low	24.3	Very low	237 Å²	237	160.8 Å²	160.8	89%	0.894	80%	0.802	S	S	*	*			trans	-66.1	146.1	-179	-59.3	160.5	170.7	166	-5.5	111.3
37	S	23.5	Very low	24.5	Very low	108 Å²	108	164.1 Å²	164.1	76%	0.755	81%	0.809	S	S	*	*				164.7	125.2	109.5	60.9	0	0	0	0	114.7
38	S	22.8	Very low	24.7	Very low	110 Å²	110	161.9 Å²	161.9	77%	0.769	81%	0.811	S	S	*	*			trans	22.7	113.4	142.9	54.9	0	0	0	0	122
39	C	25.6	Very low	25.1	Very low	140 Å²	140	158.8 Å²	158.8	95%	0.946	81%	0.81	S	S	*	*				-171.2	141.3	129.7	-108.9	0	0	0	0	108.3
40	G	23.1	Very low	25.4	Very low	70 Å²	70	158.5 Å²	158.5	72%	0.722	81%	0.813	S	S	*	*			cis	121.8	62.2	4.7	0	0	0	0	0	112.9
41	L	25.7	Very low	25.5	Very low	179 Å²	179	155.1 Å²	155.1	94%	0.937	81%	0.81	S	S	*	*			trans	-141.9	125.4	170.9	-100.6	169.8	0	0	0	112
42	K	23.7	Very low	25.8	Very low	170 Å²	170	152.4 Å²	152.4	74%	0.739	81%	0.813	S	S	*	*			trans	-91.9	152.5	175.8	-75.1	163.6	159.3	-178.7	0	110.2	I44	K42-I44 HydrophobicContact CB-CD1 3.78Å; K42-I44 HydrophobicContact CB-CG1 4.36Å; K42-I44 HydrophobicContact CD-CD1 3.67Å; K42-I44 HydrophobicContact CG-CD1 3.93Å
43	Y	25.6	Very low	25.9	Very low	235 Å²	235	148 Å²	148	92%	0.922	81%	0.808	S	S	*	*			trans	-136	133.5	149.3	-138.8	-92.3	0	0	0	110.8
44	I	26.5	Very low	26.2	Very low	116 Å²	116	147.5 Å²	147.5	60%	0.595	81%	0.81	S	S	*	*			trans	-148.7	130.7	-160.1	-70.3	162	0	0	0	103.5	K42	K42-I44 HydrophobicContact CB-CD1 3.78Å; K42-I44 HydrophobicContact CB-CG1 4.36Å; K42-I44 HydrophobicContact CD-CD1 3.67Å; K42-I44 HydrophobicContact CG-CD1 3.93Å
45	D	26.7	Very low	26.5	Very low	124 Å²	124	144.8 Å²	144.8	66%	0.663	81%	0.805	S	S	*	*				-176.3	-176	59	-176.1	17.8	0	0	0	110.6
46	K	30.5	Very low	26.5	Very low	155 Å²	155	141.2 Å²	141.2	67%	0.674	80%	0.8	S	S	*	*			trans	86.5	110.4	151.2	-49.9	-166.5	-172	178.6	0	117.4
47	R	28.5	Very low	26.8	Very low	233 Å²	233	134.7 Å²	134.7	88%	0.879	79%	0.791	S	S	*	*			cis	-159.8	157.7	30.8	-100.5	152.6	-165.4	-154.2	6.1	113.3
48	T	27	Very low	26.9	Very low	141 Å²	141	135.2 Å²	135.2	87%	0.865	80%	0.795	S	S	*	*			trans	-90	172.6	-174.2	24.8	0	0	0	0	114.5
49	P	33.7	Very low	27.3	Very low	125 Å²	125	135 Å²	135	81%	0.812	79%	0.789	S	S	*	*			trans	-107.5	178.4	-150.3	41.9	-38.1	0	0	0	115.7
50	S	29	Very low	27.4	Very low	119 Å²	119	131.5 Å²	131.5	83%	0.832	78%	0.776	S	S	*	*			trans	-134.4	141.7	159.4	58	0	0	0	0	112.5
51	T	25.6	Very low	27.6	Very low	137 Å²	137	133.6 Å²	133.6	84%	0.84	78%	0.779	S	S	*	*			trans	-69.4	140.4	-176.8	46.9	0	0	0	0	114.9
52	S	29.7	Very low	27.7	Very low	121 Å²	121	134.3 Å²	134.3	85%	0.846	77%	0.769	S	S	*	*			trans	-168.2	137.5	131.7	56.8	0	0	0	0	112.4
53	S	25.2	Very low	27.9	Very low	113 Å²	113	136.8 Å²	136.8	79%	0.79	77%	0.774	S	S	*	*			trans	-66.9	142.3	176.8	50.6	0	0	0	0	114.6
54	S	29.9	Very low	28.1	Very low	111 Å²	111	127.5 Å²	127.5	78%	0.776	74%	0.74	S	S	*	*				178.9	139.4	122	46.4	0	0	0	0	114
55	S	25.4	Very low	28.4	Very low	108 Å²	108	126.4 Å²	126.4	76%	0.755	74%	0.739	S	S	*	*			trans	-2	145.2	158.7	53.3	0	0	0	0	122.6
56	S	27.1	Very low	28.6	Very low	113 Å²	113	130.2 Å²	130.2	79%	0.79	74%	0.744	S	S	*	*			trans	96.6	115	150.5	82.3	0	0	0	0	119.8
57	S	28.4	Very low	29.1	Very low	100 Å²	100	124 Å²	124	70%	0.699	72%	0.719	S	S	*	*				157.3	108.9	109.4	59.2	0	0	0	0	112.6	T59	S57-T59 WeakPolarHBondContact CB-OG1 3.45Å; S57-T59 PolarHBondContact O-N 3.39Å
58	S	26.1	Very low	30.2	Very low	119 Å²	119	113.5 Å²	113.5	83%	0.832	68%	0.68	S	S	*	*			trans	-80.7	77.5	176.3	49.1	0	0	0	0	111.7
59	T	30.2	Very low	30.6	Very low	105 Å²	105	108.8 Å²	108.8	64%	0.644	66%	0.66	S	S	*	*			trans	-118.3	10.4	-169.7	-27.6	0	0	0	0	115	S57	S57-T59 WeakPolarHBondContact CB-OG1 3.45Å; S57-T59 PolarHBondContact O-N 3.39Å
60	G	28.5	Very low	30.7	Very low	67 Å²	67	110.6 Å²	110.6	69%	0.691	66%	0.657	S	S	*	*	S	Bend	trans	-80.2	-50.1	-179.3	0	0	0	0	0	115.5	R62	G60-R62 PolarHBondContact O-N 3.18Å
61	C	27.5	Very low	31.2	Very low	114 Å²	114	108.4 Å²	108.4	77%	0.77	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-11	-166.1	-63.3	0	0	0	0	116.1	R63	C61-R63 VanDerWaalsContact C-N 3.28Å; C61-R63 PolarHBondContact O-N 3.26Å
62	R	26.2	Very low	31.6	Very low	194 Å²	194	104.5 Å²	104.5	73%	0.732	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-12.1	-175.3	-66.6	-168.6	-170.6	-157.7	4	114.6	G60	G60-R62 PolarHBondContact O-N 3.18Å
63	R	28.4	Very low	31.7	Very low	222 Å²	222	108 Å²	108	84%	0.838	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-46.3	-179.5	-115.5	179.2	-173.1	160.7	3.2	113	C61 V65 R66	C61-R63 VanDerWaalsContact C-N 3.28Å; C61-R63 PolarHBondContact O-N 3.26Å; R63-V65 VanDerWaalsContact C-N 3.34Å; R63-V65 PolarHBondContact O-N 3.12Å; R63-R66 PolarHBondContact O-N 3.24Å
64	L	31	Very low	32	Very low	40 Å²	40	111.2 Å²	111.2	21%	0.209	61%	0.609	C	S	.	*	G	3₁₀ helix	trans	-61.6	-38.4	-178.7	-83.6	163.3	0	0	0	112.9	R66 S67 F68 P418	L64-R66 PolarHBondContact O-N 3.37Å; L64-S67 PolarHBondContact O-N 3.3Å; L64-S67 PolarHBondContact O-OG 3.44Å; L64-F68 WeakPolarHBondContact O-CD2 3.43Å; L64-F68 WeakPolarHBondContact O-CE2 3.33Å; L64-P418 HydrophobicContact CD1-CB 3.95Å; L64-P418 WeakPolarHBondContact CD2-O 3.43Å
65	V	32.2	Very low	31.8	Very low	94 Å²	94	114.4 Å²	114.4	57%	0.57	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-65.7	-25.6	-180	-177.1	0	0	0	0	112.3	R63	R63-V65 VanDerWaalsContact C-N 3.34Å; R63-V65 PolarHBondContact O-N 3.12Å
66	R	31.4	Very low	32	Very low	204 Å²	204	118 Å²	118	77%	0.77	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-76.4	-29.3	-179.6	-75	-176.8	172.4	177.5	-3	113.7	R63 L64 F68 G69	R63-R66 PolarHBondContact O-N 3.24Å; L64-R66 PolarHBondContact O-N 3.37Å; R66-F68 VanDerWaalsContact C-N 3.26Å; R66-F68 PolarHBondContact O-N 3.22Å; R66-G69 PolarHBondContact O-N 3.44Å
67	S	41.1	Very low	32.1	Very low	23 Å²	23	119.5 Å²	119.5	16%	0.161	61%	0.613	C	S	.	*	G	3₁₀ helix	trans	-81.7	3.6	-176.5	66.4	0	0	0	0	115.1	L64 Q422	L64-S67 PolarHBondContact O-N 3.3Å; L64-S67 PolarHBondContact O-OG 3.44Å; S67-Q422 PolarHBondContact O-NE2 3.01Å; S67-Q422 PolarHBondContact OG-OE1 3.22Å
68	F	50.2	Low	32	Very low	14 Å²	14	118.1 Å²	118.1	6%	0.061	62%	0.615	C	S	.	*	G	3₁₀ helix	trans	-106	7.7	173.7	-61.6	-69.2	0	0	0	112.8	L64 R66 T380 L381 W384 Q422	L64-F68 WeakPolarHBondContact O-CD2 3.43Å; L64-F68 WeakPolarHBondContact O-CE2 3.33Å; R66-F68 VanDerWaalsContact C-N 3.26Å; R66-F68 PolarHBondContact O-N 3.22Å; F68-T380 HydrophobicContact CB-CG2 4.04Å; F68-T380 HydrophobicContact CD2-CG2 3.69Å; F68-T380 HydrophobicContact CE2-CG2 4.36Å; F68-T380 HydrophobicContact CG-CG2 3.97Å; F68-L381 HydrophobicContact CE1-CD1 3.56Å; F68-L381 HydrophobicContact CZ-CD1 4.01Å; F68-W384 HydrophobicContact CB-CB 4.47Å; F68-W384 HydrophobicContact CD1-CB 3.88Å; F68-W384 HydrophobicContact CD1-CD2 4.04Å; F68-W384 AromaticContact CD1-CG 3.74Å; F68-W384 HydrophobicContact CD1-CG 3.74Å; F68-W384 HydrophobicContact CE1-CD2 4.44Å; F68-W384 HydrophobicContact CE1-CE3 4.48Å; F68-Q422 HydrophobicContact CD1-CG 4.42Å; F68-Q422 HydrophobicContact CE1-CB 3.86Å; F68-Q422 HydrophobicContact CE1-CG 3.61Å; F68-Q422 HydrophobicContact CZ-CB 3.8Å; F68-Q422 HydrophobicContact CZ-CG 4.08Å
69	G	35.2	Very low	32	Very low	42 Å²	42	121 Å²	121	43%	0.433	62%	0.62	S	S	.	*	S	Bend	trans	-82.7	-57.6	-156.6	0	0	0	0	0	116.9	R66	R66-G69 PolarHBondContact O-N 3.44Å
70	E	36.7	Very low	31.9	Very low	162 Å²	162	121.7 Å²	121.7	76%	0.757	63%	0.626	S	S	*	*			trans	-131.5	124.4	-161.6	-64	-166.1	158.6	0	0	113.6
71	F	38.7	Very low	32	Very low	73 Å²	73	123.4 Å²	123.4	32%	0.32	63%	0.628	S	S	.	*	P	Polyproline II helix	trans	-76	129.2	169.4	-80.5	-96.3	0	0	0	110.3	K73 R387 V388 Y391 L449	F71-K73 PolarHBondContact O-N 3.09Å; F71-K73 VanDerWaalsContact O-N 3.11Å; F71-R387 HydrophobicContact CE2-CB 3.61Å; F71-R387 HydrophobicContact CE2-CG 4.4Å; F71-R387 HydrophobicContact CZ-CB 3.72Å; F71-V388 HydrophobicContact CZ-CG2 4.41Å; F71-Y391 AromaticContact CD1-CD2 3.93Å; F71-Y391 HydrophobicContact CD1-CD2 3.93Å; F71-Y391 HydrophobicContact CD1-CE2 4.35Å; F71-Y391 HydrophobicContact CD1-CG 4.24Å; F71-Y391 HydrophobicContact CE1-CD2 4.05Å; F71-Y391 AromaticContact CE1-CG 3.9Å; F71-Y391 HydrophobicContact CE1-CG 3.9Å; F71-L449 HydrophobicContact CD1-CD2 4.18Å; F71-L449 HydrophobicContact CE1-CD2 3.8Å
72	P	35.6	Very low	32.2	Very low	56 Å²	56	123.4 Å²	123.4	36%	0.364	62%	0.624	S	S	.	*	P	Polyproline II helix	trans	-61.4	116.2	175.2	22.7	-32.9	0	0	0	111.2	K74 Y448	P72-K74 PolarHBondContact O-N 3.11Å; P72-Y448 HydrophobicContact CG-CE1 3.86Å; P72-Y448 HydrophobicContact CG-CE2 4.14Å; P72-Y448 VanDerWaalsContact CG-CZ 3.46Å; P72-Y448 WeakPolarHBondContact CG-OH 3.4Å
73	K	31.6	Very low	32.3	Very low	194 Å²	194	120.5 Å²	120.5	84%	0.843	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-64.2	130.7	171.8	-67.1	176.7	-177.8	171.4	0	109.1	F71 K75	F71-K73 PolarHBondContact O-N 3.09Å; F71-K73 VanDerWaalsContact O-N 3.11Å; K73-K75 PolarHBondContact O-N 2.91Å
74	K	29.8	Very low	32.4	Very low	180 Å²	180	115.7 Å²	115.7	78%	0.783	62%	0.619	S	S	*	*			trans	-58.5	107.3	171	-74.7	-174	174.6	-174.5	0	109.9	P72	P72-K74 PolarHBondContact O-N 3.11Å
75	K	27.5	Very low	32.4	Very low	178 Å²	178	122.4 Å²	122.4	77%	0.774	65%	0.649	S	S	*	*			trans	-73.1	131.3	163	-69.4	-174.7	178.2	-178.9	0	108.5	K73	K73-K75 PolarHBondContact O-N 2.91Å
76	H	28	Very low	32.2	Very low	185 Å²	185	123.7 Å²	123.7	86%	0.856	66%	0.657	S	S	*	*			trans	-91.4	105.4	158.4	-87.3	-90.2	0	0	0	106.4
77	D	29.1	Very low	32.3	Very low	143 Å²	143	121.6 Å²	121.6	77%	0.765	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-76.5	131.1	171.8	-61.3	-41.3	0	0	0	108.9
78	G	26.6	Very low	31.8	Very low	72 Å²	72	126 Å²	126	74%	0.742	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-90.1	160.3	-176.3	0	0	0	0	0	113.5
79	L	26.5	Very low	31.1	Very low	179 Å²	179	131 Å²	131	94%	0.937	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-81.3	137.8	160.7	-89.2	79.4	0	0	0	109.8
80	P	27.2	Very low	31	Very low	120 Å²	120	135.6 Å²	135.6	78%	0.779	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-103.4	140.7	168.2	36.3	-29	0	0	0	112.2
81	S	30.9	Very low	30.8	Very low	102 Å²	102	138.1 Å²	138.1	71%	0.713	74%	0.739	S	S	*	*			trans	-175.3	123.9	147.4	55.5	0	0	0	0	111.6
82	T	31.6	Very low	30.3	Very low	114 Å²	114	144.7 Å²	144.7	70%	0.699	77%	0.767	S	S	*	*			trans	50.9	137.3	137	62.1	0	0	0	0	120.8
83	D	30	Very low	30.2	Very low	133 Å²	133	145.8 Å²	145.8	71%	0.711	79%	0.788	S	S	*	*			cis	-164	167.8	-9.2	-90.6	-36.3	0	0	0	107.2
84	T	30.3	Very low	30	Very low	122 Å²	122	145.1 Å²	145.1	75%	0.748	79%	0.794	S	S	*	*			trans	35.8	133.2	154.2	51.9	0	0	0	0	120.3
85	E	31.1	Very low	30.1	Very low	181 Å²	181	140.1 Å²	140.1	85%	0.846	79%	0.794	S	S	*	*			cis	-164.2	170.3	32.2	-136.8	166.5	-145.3	0	0	112.8
86	T	27.8	Very low	30.1	Very low	120 Å²	120	143.4 Å²	143.4	74%	0.736	80%	0.801	S	S	*	*			trans	-70.6	152	-174.7	35.5	0	0	0	0	116.7
87	I	32.5	Very low	30	Very low	161 Å²	161	139.5 Å²	139.5	83%	0.826	80%	0.795	S	S	*	*				-174.7	140.8	118.5	-90.4	150.4	0	0	0	110.2
88	P	31.8	Very low	30.1	Very low	115 Å²	115	139.7 Å²	139.7	75%	0.747	80%	0.795	S	S	*	*			trans	-116.3	-161.2	-165.4	50.6	-39.2	0	0	0	112.5
89	P	34.2	Very low	30.1	Very low	118 Å²	118	143.1 Å²	143.1	77%	0.766	80%	0.795	S	S	*	*				-116.2	165.6	-127.7	24.9	-0.8	0	0	0	115.5
90	N	33.1	Very low	30.2	Very low	139 Å²	139	141.1 Å²	141.1	74%	0.743	79%	0.785	S	S	*	*			trans	-153.5	127.2	167.2	-125	-20.2	0	0	0	118.5
91	R	32.4	Very low	30.3	Very low	216 Å²	216	141.8 Å²	141.8	82%	0.815	79%	0.786	S	S	*	*			trans	43.1	115.3	142.3	-73.4	168.5	-171.1	-168.7	-0.4	123.4
92	K	28.3	Very low	30.2	Very low	211 Å²	211	140.8 Å²	140.8	92%	0.917	79%	0.792	S	S	*	*				35.1	127	117.7	-66	-176.7	175.2	-177.7	0	120.1
93	G	33.1	Very low	30.1	Very low	78 Å²	78	142.4 Å²	142.4	80%	0.804	80%	0.796	S	S	*	*			trans	-158.8	132.4	156.7	0	0	0	0	0	112.9
94	N	27.7	Very low	30	Very low	180 Å²	180	144.3 Å²	144.3	96%	0.963	80%	0.798	S	S	*	*			trans	-100.8	153	178.9	-81.6	-23.8	0	0	0	111.9
95	G	31.7	Very low	30	Very low	76 Å²	76	145 Å²	145	78%	0.784	80%	0.797	S	S	*	*			trans	162.9	103.6	168.1	0	0	0	0	0	110.7
96	R	27.3	Very low	29.8	Very low	246 Å²	246	146.5 Å²	146.5	93%	0.928	80%	0.795	S	S	*	*			cis	92.4	102	43	-146.3	-167.7	-165.5	-175.9	4.1	114.1
97	S	25.9	Very low	29.7	Very low	104 Å²	104	150.9 Å²	150.9	73%	0.727	80%	0.798	S	S	*	*			trans	89.9	160.9	141.7	-145.5	0	0	0	0	122.5
98	I	31.4	Very low	29.3	Very low	147 Å²	147	149.6 Å²	149.6	75%	0.754	80%	0.798	S	S	*	*			trans	97.2	98	169.8	-56.2	164.2	0	0	0	112.8
99	L	26.2	Very low	29.1	Very low	144 Å²	144	151.8 Å²	151.8	75%	0.754	80%	0.802	S	S	*	*				65.5	135.2	76.9	-68.8	170.6	0	0	0	112.1
100	L	29.6	Very low	28.6	Very low	137 Å²	137	149.4 Å²	149.4	72%	0.717	80%	0.799	S	S	*	*			cis	-166	152.6	36	-120.7	147.8	0	0	0	112.5
101	T	28.5	Very low	28.3	Very low	133 Å²	133	154.1 Å²	154.1	82%	0.816	81%	0.807	S	S	*	*			trans	55.3	129.9	152.8	39.2	0	0	0	0	124.1
102	G	30.4	Very low	28	Very low	81 Å²	81	152.3 Å²	152.3	84%	0.835	81%	0.807	S	S	*	*			trans	-178.7	88.4	163.7	0	0	0	0	0	112.5
103	L	28.2	Very low	27.9	Very low	149 Å²	149	151.3 Å²	151.3	78%	0.78	81%	0.805	S	S	*	*			trans	-77.9	152.6	-161.3	-92.7	163.5	0	0	0	117.7
104	K	29.4	Very low	27.5	Very low	173 Å²	173	152 Å²	152	75%	0.752	80%	0.797	S	S	*	*			trans	90.4	125.9	144.2	-78.3	164	-177.2	178.7	0	121.9
105	N	29.3	Very low	27.5	Very low	136 Å²	136	149.1 Å²	149.1	73%	0.727	79%	0.786	S	S	*	*			trans	109.8	103.3	139.5	-71.1	-23.3	0	0	0	121.3
106	R	27	Very low	27.1	Very low	213 Å²	213	153.4 Å²	153.4	80%	0.804	79%	0.786	S	S	*	*			trans	82.5	109.8	131.1	-67.5	-176.7	177	-166.8	-0.5	121.1
107	R	26.4	Very low	27	Very low	212 Å²	212	152 Å²	152	80%	0.8	78%	0.782	S	S	*	*				59.7	110.2	126.5	-66.4	-177.5	177	172.6	-2.1	119
108	T	24.5	Very low	27	Very low	133 Å²	133	153 Å²	153	82%	0.816	78%	0.779	S	S	*	*			trans	9.5	110.3	132.7	53.2	0	0	0	0	117.1
109	L	26.1	Very low	26.7	Very low	162 Å²	162	155.5 Å²	155.5	85%	0.848	79%	0.785	S	S	*	*			trans	-147	126.9	153.2	-134	97.4	0	0	0	108.9
110	G	24.5	Very low	26.7	Very low	68 Å²	68	157 Å²	157	70%	0.701	79%	0.788	S	S	*	*			trans	-66.9	148.3	168.1	0	0	0	0	0	110.2
111	R	26.5	Very low	26.4	Very low	238 Å²	238	157.9 Å²	157.9	90%	0.898	79%	0.793	S	S	*	*			trans	-122	108.4	174.7	-92.1	-175.6	167.5	172.1	-3.8	111.7
112	H	25.4	Very low	26.3	Very low	177 Å²	177	160.8 Å²	160.8	82%	0.819	80%	0.798	S	S	*	*			trans	-52.9	144.7	157.3	-66.4	-108.4	0	0	0	110.1
113	H	26.6	Very low	26.1	Very low	191 Å²	191	166 Å²	166	88%	0.884	80%	0.8	S	S	*	*			trans	-104.9	81.2	158.3	-95.1	-66.1	0	0	0	108.7
114	S	24.9	Very low	25.8	Very low	91 Å²	91	170.2 Å²	170.2	64%	0.636	81%	0.807	S	S	*	*			trans	-67.7	135.4	161.8	45.8	0	0	0	0	109.4
115	V	27	Very low	25.7	Very low	121 Å²	121	168.8 Å²	168.8	73%	0.733	81%	0.813	S	S	*	*			trans	-99.5	100.7	168.8	177.3	0	0	0	0	107.4	Y117	V115-Y117 HydrophobicContact CG1-CD2 4.27Å; V115-Y117 HydrophobicContact CG1-CE2 4.17Å; V115-Y117 PolarHBondContact O-N 3.3Å
116	Q	23.6	Very low	25.5	Very low	165 Å²	165	171.3 Å²	171.3	77%	0.771	82%	0.818	S	S	*	*			trans	-63.8	127.3	171.6	-69.1	168.3	-89.1	0	0	109.8
117	Y	24.9	Very low	25.4	Very low	216 Å²	216	167.9 Å²	167.9	85%	0.847	82%	0.815	S	S	*	*			trans	-106.2	110.9	158.2	-96.4	-84.8	0	0	0	108.6	V115	V115-Y117 HydrophobicContact CG1-CD2 4.27Å; V115-Y117 HydrophobicContact CG1-CE2 4.17Å; V115-Y117 PolarHBondContact O-N 3.3Å
118	N	27.3	Very low	25.6	Very low	126 Å²	126	165.1 Å²	165.1	67%	0.674	82%	0.817	S	S	*	*			trans	-67.6	133.8	174.7	-74.7	-6.7	0	0	0	110.1
119	K	24.2	Very low	25.6	Very low	200 Å²	200	167.6 Å²	167.6	87%	0.87	82%	0.819	S	S	*	*			trans	-82	114.9	162.4	-74.8	175.5	174	174.8	0	108.3
120	E	26.8	Very low	25.7	Very low	175 Å²	175	168.3 Å²	168.3	82%	0.818	82%	0.822	S	S	*	*			trans	-126.4	127.6	159.5	-71.6	-177.4	167	0	0	108.4
121	N	23	Very low	25.8	Very low	155 Å²	155	168.5 Å²	168.5	83%	0.829	82%	0.824	S	S	*	*			trans	-85.9	133	-179.7	-55.5	-55.8	0	0	0	108.4
122	E	27	Very low	25.7	Very low	194 Å²	194	165.1 Å²	165.1	91%	0.907	82%	0.822	S	S	*	*			trans	-127.6	114.3	161.6	-71.8	-164.8	146.3	0	0	110.8
123	Q	25.4	Very low	25.8	Very low	191 Å²	191	163.8 Å²	163.8	89%	0.893	82%	0.822	S	S	*	*			trans	-78.3	151.9	166.4	-73.4	168.4	-70.3	0	0	109.7	T125	Q123-T125 PolarHBondContact O-N 3.31Å
124	Y	22.3	Very low	25.7	Very low	237 Å²	237	159.1 Å²	159.1	93%	0.929	81%	0.808	S	S	*	*			trans	-54.3	130.8	176	-77.1	-104.8	0	0	0	113.5
125	T	27.5	Very low	25.8	Very low	143 Å²	143	161.9 Å²	161.9	88%	0.877	82%	0.816	S	S	*	*			trans	-145.2	153.4	135.4	30.1	0	0	0	0	111.3	Q123	Q123-T125 PolarHBondContact O-N 3.31Å
126	K	24.7	Very low	26	Very low	190 Å²	190	166.4 Å²	166.4	83%	0.826	83%	0.825	S	S	*	*			trans	-82.4	164.2	-173.2	-64	169	169	170.4	0	113
127	N	25.5	Very low	26	Very low	140 Å²	140	165.1 Å²	165.1	75%	0.749	83%	0.829	S	S	*	*			trans	115.4	149.2	142.7	-70.2	-11.5	0	0	0	118.2
128	D	29.7	Very low	26.2	Very low	155 Å²	155	158.4 Å²	158.4	83%	0.829	83%	0.825	S	S	*	*			trans	83.2	106.1	161.7	-54.1	-24.2	0	0	0	120.4
129	Q	24.7	Very low	26	Very low	184 Å²	184	161.5 Å²	161.5	86%	0.86	83%	0.832	S	S	*	*			trans	-74.9	153.2	162.8	-54	167.3	2.8	0	0	109.2
130	I	28.4	Very low	26.2	Very low	178 Å²	178	160.3 Å²	160.3	91%	0.913	83%	0.83	S	S	*	*			trans	175.1	150	137.3	-92.9	150.8	0	0	0	109.6
131	G	26.4	Very low	26.2	Very low	71 Å²	71	158.6 Å²	158.6	73%	0.732	83%	0.826	S	S	*	*			trans	104	85.8	144.6	0	0	0	0	0	118.3
132	L	24.8	Very low	26.2	Very low	167 Å²	167	159.6 Å²	159.6	87%	0.874	83%	0.831	S	S	*	*			trans	-60.4	150.2	162.1	-67.8	144.7	0	0	0	113
133	D	27.7	Very low	26	Very low	150 Å²	150	157.9 Å²	157.9	80%	0.802	83%	0.828	S	S	*	*				-159.9	126.5	120.1	-161.6	6.5	0	0	0	112.4
134	P	24.4	Very low	26.1	Very low	93 Å²	93	155.1 Å²	155.1	60%	0.604	82%	0.824	S	S	*	*			trans	-118.5	90.9	177.7	37.8	-24.5	0	0	0	113.5
135	N	26.1	Very low	26.1	Very low	148 Å²	148	146.9 Å²	146.9	79%	0.791	81%	0.811	S	S	*	*			trans	-162.7	100.3	161.2	-96.5	-40.4	0	0	0	114.6
136	K	31.6	Very low	26	Very low	216 Å²	216	146.5 Å²	146.5	94%	0.939	80%	0.803	S	S	*	*			trans	-159.4	105.8	149.1	-117.1	167.2	-173.6	174	0	111
137	V	24.8	Very low	25.9	Very low	139 Å²	139	148.2 Å²	148.2	84%	0.842	80%	0.804	S	S	*	*			trans	-94.9	118.5	174.8	173.8	0	0	0	0	108.7
138	G	27.9	Very low	25.9	Very low	74 Å²	74	151.5 Å²	151.5	76%	0.763	81%	0.806	S	S	*	*			trans	-120.8	123.1	164.9	0	0	0	0	0	108.8
139	K	24.2	Very low	25.5	Very low	192 Å²	192	149.8 Å²	149.8	84%	0.835	80%	0.797	S	S	*	*			trans	-77.4	136.6	175	-64.8	168.8	177.3	172.3	0	108.6
140	E	27.3	Very low	25.6	Very low	174 Å²	174	146.8 Å²	146.8	81%	0.813	79%	0.791	S	S	*	*			trans	-169.9	139.4	141.8	-109.4	162.8	-125.3	0	0	113.6
141	N	26.3	Very low	25.4	Very low	139 Å²	139	144.2 Å²	144.2	74%	0.743	78%	0.784	S	S	*	*			trans	63	101	154.4	-56.9	-36	0	0	0	120.3	N143	N141-N143 PolarHBondContact O-N 3.12Å
142	L	23.6	Very low	25.2	Very low	176 Å²	176	144.8 Å²	144.8	92%	0.921	78%	0.775	S	S	*	*			trans	-64.1	108.1	163.6	-75.1	105.7	0	0	0	111.4
143	N	23.8	Very low	25.3	Very low	159 Å²	159	142 Å²	142	85%	0.85	77%	0.77	S	S	*	*			trans	-155.8	66.7	161.8	-110.3	-32.5	0	0	0	111.2	N141 G145	N141-N143 PolarHBondContact O-N 3.12Å; N143-G145 PolarHBondContact O-N 3.08Å
144	V	26	Very low	25.1	Very low	133 Å²	133	138.1 Å²	138.1	81%	0.806	76%	0.758	S	S	*	*			trans	-80.8	70.9	-179.9	-169.2	0	0	0	0	111	L146	V144-L146 HydrophobicContact CG1-CG 4.46Å; V144-L146 PolarHBondContact O-N 3.45Å; V144-L146 VanDerWaalsContact O-N 3.16Å
145	G	21.9	Very low	25.1	Very low	64 Å²	64	137.5 Å²	137.5	66%	0.66	75%	0.753	S	S	*	*			trans	-68.3	101.3	160.4	0	0	0	0	0	109.5	N143 R147	N143-G145 PolarHBondContact O-N 3.08Å; G145-R147 VanDerWaalsContact C-N 3.28Å; G145-R147 PolarHBondContact O-N 3.05Å
146	L	25.7	Very low	25	Very low	135 Å²	135	133 Å²	133	71%	0.707	74%	0.742	S	S	*	*			trans	-68.6	81.7	179.6	-108.4	147.3	0	0	0	111.4	V144 R148	V144-L146 HydrophobicContact CG1-CG 4.46Å; V144-L146 PolarHBondContact O-N 3.45Å; V144-L146 VanDerWaalsContact O-N 3.16Å; L146-R148 PolarHBondContact O-N 3.27Å
147	R	23	Very low	24.6	Very low	226 Å²	226	127.2 Å²	127.2	85%	0.853	73%	0.734	S	S	*	*			trans	-60	121.8	162.3	-68.5	-179.9	177.8	-179.8	-0.4	108.5	G145	G145-R147 VanDerWaalsContact C-N 3.28Å; G145-R147 PolarHBondContact O-N 3.05Å
148	R	26.2	Very low	24.6	Very low	208 Å²	208	129.8 Å²	129.8	79%	0.785	74%	0.735	S	S	*	*			trans	-121.7	81.6	161.7	-80.1	-172.1	177.2	151	-0.3	109.4	L146	L146-R148 PolarHBondContact O-N 3.27Å
149	N	21.8	Very low	24.4	Very low	120 Å²	120	135.9 Å²	135.9	64%	0.642	74%	0.74	S	S	*	*			trans	-116.6	83.1	158.2	-83.4	38.7	0	0	0	106.9
150	T	25.6	Very low	24.5	Very low	120 Å²	120	132.2 Å²	132.2	74%	0.736	74%	0.738	S	S	*	*			trans	-157.3	107.9	165.6	25.5	0	0	0	0	106.3
151	V	24	Very low	24.4	Very low	125 Å²	125	131.9 Å²	131.9	76%	0.758	74%	0.741	S	S	*	*				87.7	128	91.2	164.1	0	0	0	0	112.1
152	C	22.9	Very low	24.5	Very low	82 Å²	82	135.3 Å²	135.3	55%	0.554	74%	0.743	S	S	*	*			trans	41.6	121.4	163.8	-67.9	0	0	0	0	120.3	L495	C152-L495 WeakPolarHBondContact SG-CD2 3.5Å
153	S	26	Very low	24.6	Very low	110 Å²	110	131.9 Å²	131.9	77%	0.769	73%	0.73	S	S	*	*				-144.2	73.6	128.6	65	0	0	0	0	112.1
154	A	24.1	Very low	24.8	Very low	67 Å²	67	135.5 Å²	135.5	55%	0.554	73%	0.731	S	S	*	*			trans	-65.9	136.2	145.2	0	0	0	0	0	108.1
155	T	25.5	Very low	24.9	Very low	81 Å²	81	132.1 Å²	132.1	50%	0.497	72%	0.723	S	S	.	*	S	Bend	trans	50.8	105.7	155.8	54	0	0	0	0	118.6	L338	T155-L338 HydrophobicContact CG2-CD1 4.19Å; T155-L338 HydrophobicContact CG2-CD2 4.38Å
156	G	23.5	Very low	25.4	Very low	54 Å²	54	134.5 Å²	134.5	56%	0.557	72%	0.721	S	S	*	*			trans	59.5	76.6	144.9	0	0	0	0	0	118.4
157	A	23.7	Very low	25.6	Very low	94 Å²	94	134 Å²	134	78%	0.777	72%	0.716	S	S	*	*			trans	-118.6	48.1	171.4	0	0	0	0	0	113.4	K159	A157-K159 PolarHBondContact O-N 3.38Å
158	F	24.3	Very low	26.1	Very low	193 Å²	193	129 Å²	129	85%	0.846	70%	0.702	S	S	*	*			trans	-74	65.5	167	-106.9	-78.3	0	0	0	111.5
159	K	24.1	Very low	26.4	Very low	201 Å²	201	125.4 Å²	125.4	87%	0.874	70%	0.698	S	S	*	*	S	Bend	trans	-159.9	137.2	164.7	-105.2	157.2	-171.9	177.3	0	109.8	A157	A157-K159 PolarHBondContact O-N 3.38Å
160	S	25.4	Very low	26.9	Very low	115 Å²	115	128.4 Å²	128.4	80%	0.804	70%	0.701	S	S	*	*			trans	86.4	43.3	168.1	-145.5	0	0	0	0	121.5
161	I	25.6	Very low	27.4	Very low	168 Å²	168	129.5 Å²	129.5	86%	0.862	70%	0.695	S	S	*	*			trans	-113.4	60	148.3	-48.7	-176.7	0	0	0	110.4
162	R	27.3	Very low	27.8	Very low	210 Å²	210	127.9 Å²	127.9	79%	0.792	69%	0.689	S	S	*	*	S	Bend	trans	-136.2	78.5	171.3	-166.6	-178.2	-166.4	128.8	9	110.5
163	T	27.3	Very low	28.2	Very low	105 Å²	105	129.8 Å²	129.8	64%	0.644	69%	0.694	S	S	*	*	S	Bend	trans	168	-40.2	147.8	32.5	0	0	0	0	113.2	G165 L166	T163-G165 PolarHBondContact O-N 2.84Å; T163-L166 PolarHBondContact O-N 2.82Å
164	R	27.8	Very low	28.6	Very low	234 Å²	234	132.9 Å²	132.9	88%	0.883	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-72.3	-24.9	-161	-131.8	168.6	-174.5	159.2	0.5	116.9
165	G	27.6	Very low	29.1	Very low	62 Å²	62	136.3 Å²	136.3	64%	0.639	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-83.1	-5.8	176.4	0	0	0	0	0	115.6	T163	T163-G165 PolarHBondContact O-N 2.84Å
166	L	31.9	Very low	29.4	Very low	115 Å²	115	139.6 Å²	139.6	60%	0.602	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-107.2	4.2	-174.2	-106.9	157.9	0	0	0	113.8	T163	T163-L166 PolarHBondContact O-N 2.82Å
167	M	30.2	Very low	29.6	Very low	124 Å²	124	144 Å²	144	61%	0.611	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	-35.4	174.5	-75.2	-175	168.9	0	0	113.2	R170	M167-R170 PolarHBondContact O-N 2.81Å
168	E	33.7	Very low	29.9	Very low	121 Å²	121	144 Å²	144	57%	0.565	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-75.2	-37	-177.6	-67.4	-56.3	117.3	0	0	112.8	R170 K171	E168-R170 PolarHBondContact O-N 3.5Å; E168-R170 VanDerWaalsContact O-N 3.11Å; E168-K171 PolarHBondContact O-N 2.62Å; E168-K171 IonicContact OE1-NZ 3.52Å; E168-K171 PolarHBondContact OE1-NZ 3.32Å; E168-K171 VanDerWaalsContact OE1-NZ 3.1Å
169	L	32.1	Very low	30.2	Very low	133 Å²	133	143.8 Å²	143.8	70%	0.696	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-70.4	-0.3	169.7	-78.3	165.8	0	0	0	114.3
170	R	32.5	Very low	30.5	Very low	183 Å²	183	143 Å²	143	69%	0.691	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-105.9	-4.4	173.5	-93.7	179.6	169.2	153.9	-3.9	114.1	M167 E168	M167-R170 PolarHBondContact O-N 2.81Å; E168-R170 PolarHBondContact O-N 3.5Å; E168-R170 VanDerWaalsContact O-N 3.11Å
171	K	35.5	Very low	30.6	Very low	142 Å²	142	143.9 Å²	143.9	62%	0.617	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	-28.6	176.8	-72.2	177.1	-176.8	164.9	0	113.6	E168 N173	E168-K171 PolarHBondContact O-N 2.62Å; E168-K171 IonicContact OE1-NZ 3.52Å; E168-K171 PolarHBondContact OE1-NZ 3.32Å; E168-K171 VanDerWaalsContact OE1-NZ 3.1Å; K171-N173 VanDerWaalsContact C-N 3.34Å
172	S	32	Very low	30.8	Very low	91 Å²	91	145.5 Å²	145.5	64%	0.636	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-10.9	176.7	61.3	0	0	0	0	114.8
173	N	32.9	Very low	30.9	Very low	122 Å²	122	144.8 Å²	144.8	65%	0.652	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.7	24.3	-169.2	-131	-3.7	0	0	0	113.5	K171	K171-N173 VanDerWaalsContact C-N 3.34Å
174	K	34.7	Very low	30.9	Very low	175 Å²	175	147.2 Å²	147.2	76%	0.761	74%	0.742	S	S	*	*	S	Bend	trans	-118.1	-5.6	-176.2	-98.2	-170.7	170.4	-167.3	0	115.9
175	N	33.5	Very low	30.8	Very low	139 Å²	139	144.5 Å²	144.5	74%	0.743	74%	0.744	S	S	*	*	S	Bend	trans	-112.4	-4.6	-170.6	-72.2	16.4	0	0	0	115.7
176	N	31.4	Very low	30.7	Very low	151 Å²	151	145.9 Å²	145.9	81%	0.807	75%	0.745	S	S	*	*	S	Bend	trans	-117	3.6	-174.2	-69.9	8.8	0	0	0	115
177	N	29	Very low	30.4	Very low	146 Å²	146	148.8 Å²	148.8	78%	0.781	76%	0.755	S	S	*	*			trans	-111.4	66.1	-175.4	-73.6	-12.1	0	0	0	112.2
178	A	30	Very low	30.3	Very low	94 Å²	94	153.1 Å²	153.1	78%	0.777	77%	0.77	S	S	*	*	S	Bend	trans	-135.7	-9.9	172.7	0	0	0	0	0	114.8
179	E	30.4	Very low	29.9	Very low	188 Å²	188	152.9 Å²	152.9	88%	0.879	78%	0.782	S	S	*	*	S	Bend	trans	-135	4.7	-161.2	-135.3	168.5	-160.1	0	0	116.7
180	Q	30	Very low	29.8	Very low	184 Å²	184	156.2 Å²	156.2	86%	0.86	79%	0.791	S	S	*	*			trans	-124.2	2.6	-178.5	-70.4	-172.6	-9.3	0	0	115.8	K182	Q180-K182 PolarHBondContact O-N 2.75Å
181	T	28.1	Very low	29.9	Very low	135 Å²	135	152.4 Å²	152.4	83%	0.828	79%	0.792	S	S	*	*			trans	-78.4	59.5	175.8	51	0	0	0	0	112.6
182	K	28.5	Very low	29.8	Very low	201 Å²	201	152 Å²	152	87%	0.874	80%	0.795	S	S	*	*	S	Bend	trans	-165.8	41.5	173.4	-115.8	170.1	-171.2	-179.2	0	115.1	Q180	Q180-K182 PolarHBondContact O-N 2.75Å
183	K	29	Very low	29.8	Very low	195 Å²	195	153.2 Å²	153.2	85%	0.848	80%	0.795	S	S	*	*	S	Bend	trans	-168.2	158.3	163.3	-103.4	153.7	-173.2	-177.4	0	109
184	L	28.2	Very low	29.8	Very low	157 Å²	157	153.4 Å²	153.4	82%	0.822	80%	0.796	S	S	*	*			trans	67.7	63.9	-171.4	-65.9	96	0	0	0	116.3
185	N	25.1	Very low	29.8	Very low	176 Å²	176	149.2 Å²	149.2	94%	0.941	79%	0.788	S	S	*	*			trans	-99.2	75.6	150.9	-90.5	-9.3	0	0	0	109.6
186	S	25.1	Very low	29.7	Very low	92 Å²	92	146.2 Å²	146.2	64%	0.643	78%	0.775	S	S	*	*	S	Bend	trans	-174.2	151.6	162.3	43.8	0	0	0	0	109
187	E	26.6	Very low	29.8	Very low	176 Å²	176	143 Å²	143	82%	0.822	76%	0.761	S	S	*	*	S	Bend	trans	60.6	86.3	170.6	-57	179.1	-174.9	0	0	118.2
188	K	27.4	Very low	29.9	Very low	215 Å²	215	137.9 Å²	137.9	94%	0.935	74%	0.743	S	S	*	*			trans	169	95.9	133.4	-91.7	150.9	-168.9	164.5	0	112.3
189	S	26.3	Very low	30.1	Very low	116 Å²	116	138.7 Å²	138.7	81%	0.811	73%	0.733	S	S	*	*			trans	-145.3	80.3	170.4	45.5	0	0	0	0	110.7
190	K	30	Very low	30.2	Very low	203 Å²	203	134.1 Å²	134.1	88%	0.883	71%	0.714	S	S	*	*	S	Bend	trans	-167.7	17.9	175.5	-117.6	163.7	-169.7	-179.2	0	119.1
191	S	34.1	Very low	30.2	Very low	103 Å²	103	130.7 Å²	130.7	72%	0.72	70%	0.698	S	S	*	*	S	Bend	trans	-146.8	16.1	-177.5	73.4	0	0	0	0	118.1
192	I	33.9	Very low	30.4	Very low	132 Å²	132	128.8 Å²	128.8	68%	0.677	68%	0.678	S	S	*	*	S	Bend	trans	-115.8	-26.7	-178.7	-67.3	174.3	0	0	0	112.5	S195	I192-S195 PolarHBondContact O-OG 2.76Å
193	D	32	Very low	30.5	Very low	117 Å²	117	128.5 Å²	128.5	63%	0.626	67%	0.671	S	S	*	*	H	α-helix	trans	-69.5	-37.7	-177.3	-72.2	-56.4	0	0	0	114.2	S195 V196 V197	D193-S195 VanDerWaalsContact C-N 3.31Å; D193-S195 PolarHBondContact O-N 3.27Å; D193-S195 VanDerWaalsContact O-N 3.17Å; D193-V196 PolarHBondContact O-N 2.87Å; D193-V197 HydrophobicContact CB-CG2 4.48Å; D193-V197 WeakPolarHBondContact O-CG2 3.39Å; D193-V197 PolarHBondContact O-N 3.32Å
194	D	32.3	Very low	30.5	Very low	127 Å²	127	125.4 Å²	125.4	68%	0.679	66%	0.658	S	S	*	*	H	α-helix	trans	-58.3	-38.6	-169.5	-60.8	-31	0	0	0	113.9	G198	D194-G198 PolarHBondContact O-N 3.11Å
195	S	34	Very low	30.8	Very low	86 Å²	86	122.1 Å²	122.1	60%	0.601	64%	0.641	S	S	*	*	H	α-helix	trans	-71.7	-30.9	179.1	65	0	0	0	0	113.4	I192 D193 L199	I192-S195 PolarHBondContact O-OG 2.76Å; D193-S195 VanDerWaalsContact C-N 3.31Å; D193-S195 PolarHBondContact O-N 3.27Å; D193-S195 VanDerWaalsContact O-N 3.17Å; S195-L199 PolarHBondContact O-N 2.72Å
196	V	32.4	Very low	31.2	Very low	77 Å²	77	116.8 Å²	116.8	47%	0.467	62%	0.615	S	S	.	*	H	α-helix	trans	-79.4	-40.3	176.4	-179	0	0	0	0	109.8	D193 L199 I200	D193-V196 PolarHBondContact O-N 2.87Å; V196-L199 PolarHBondContact O-N 3.01Å; V196-I200 HydrophobicContact CG1-CD1 3.94Å; V196-I200 VanDerWaalsContact O-CG1 3.31Å; V196-I200 WeakPolarHBondContact O-CG1 3.4Å; V196-I200 PolarHBondContact O-N 2.98Å
197	V	32.4	Very low	31.7	Very low	83 Å²	83	117.3 Å²	117.3	50%	0.503	61%	0.61	S	S	.	*	H	α-helix	trans	-61	-44.1	174.4	171.3	0	0	0	0	110.9	D193 L199 I200 H201	D193-V197 HydrophobicContact CB-CG2 4.48Å; D193-V197 WeakPolarHBondContact O-CG2 3.39Å; D193-V197 PolarHBondContact O-N 3.32Å; V197-L199 PolarHBondContact O-N 3.08Å; V197-I200 PolarHBondContact O-N 3.12Å; V197-H201 WeakPolarHBondContact O-CB 3.49Å; V197-H201 PolarHBondContact O-N 3.21Å
198	G	32.6	Very low	32.1	Very low	39 Å²	39	113.8 Å²	113.8	40%	0.402	60%	0.596	S	S	.	*	H	α-helix	trans	-58.7	-44.4	174.7	0	0	0	0	0	113.4	D194 I200 H201 F202	D194-G198 PolarHBondContact O-N 3.11Å; G198-I200 PolarHBondContact O-N 2.97Å; G198-H201 PolarHBondContact O-N 3.08Å; G198-F202 WeakPolarHBondContact O-CB 3.4Å; G198-F202 PolarHBondContact O-N 3.45Å
199	L	34.2	Very low	32.7	Very low	111 Å²	111	107.7 Å²	107.7	58%	0.581	57%	0.574	S	S	*	*	H	α-helix	trans	-66.2	-34.3	175.8	-89.3	162	0	0	0	113.4	S195 V196 V197 R203	S195-L199 PolarHBondContact O-N 2.72Å; V196-L199 PolarHBondContact O-N 3.01Å; V197-L199 PolarHBondContact O-N 3.08Å; L199-R203 PolarHBondContact O-N 2.97Å
200	I	31.4	Very low	33.2	Very low	91 Å²	91	106.1 Å²	106.1	47%	0.467	56%	0.557	S	S	.	*	H	α-helix	trans	-70	-40.9	173.8	-69.4	166.7	0	0	0	110.5	V196 V197 G198 R203 K204	V196-I200 HydrophobicContact CG1-CD1 3.94Å; V196-I200 VanDerWaalsContact O-CG1 3.31Å; V196-I200 WeakPolarHBondContact O-CG1 3.4Å; V196-I200 PolarHBondContact O-N 2.98Å; V197-I200 PolarHBondContact O-N 3.12Å; G198-I200 PolarHBondContact O-N 2.97Å; I200-R203 PolarHBondContact O-N 3.44Å; I200-K204 HydrophobicContact CG2-CD 4.42Å; I200-K204 WeakPolarHBondContact O-CG 3.35Å; I200-K204 PolarHBondContact O-N 2.71Å
201	H	31.6	Very low	33.6	Very low	112 Å²	112	100.4 Å²	100.4	52%	0.519	54%	0.535	S	S	.	.	H	α-helix	trans	-67	-43.5	178.6	-157.5	-77.9	0	0	0	111.7	V197 G198 R203 K204 L205	V197-H201 WeakPolarHBondContact O-CB 3.49Å; V197-H201 PolarHBondContact O-N 3.21Å; G198-H201 PolarHBondContact O-N 3.08Å; H201-R203 PolarHBondContact O-N 2.69Å; H201-K204 PolarHBondContact O-N 3.47Å; H201-L205 WeakPolarHBondContact ND1-CD1 3.14Å; H201-L205 WeakPolarHBondContact O-CG 3.11Å; H201-L205 PolarHBondContact O-N 3.11Å
202	F	30.9	Very low	33.8	Very low	96 Å²	96	102.6 Å²	102.6	42%	0.421	53%	0.528	S	S	.	.	H	α-helix	trans	-57	-48.9	174.2	-170.3	-92.4	0	0	0	111.4	G198 K204 L205 T206	G198-F202 WeakPolarHBondContact O-CB 3.4Å; G198-F202 PolarHBondContact O-N 3.45Å; F202-K204 PolarHBondContact O-N 3.4Å; F202-L205 PolarHBondContact O-N 3.19Å; F202-T206 HydrophobicContact CD1-CG2 4.48Å; F202-T206 HydrophobicContact CE1-CG2 4.2Å; F202-T206 PolarHBondContact O-N 3.02Å; F202-T206 VanDerWaalsContact O-N 3.09Å; F202-T206 PolarHBondContact O-OG1 3.12Å
203	R	30.9	Very low	34.1	Very low	194 Å²	194	102 Å²	102	73%	0.732	52%	0.52	S	S	*	.	H	α-helix	trans	-59.7	-41.9	174.8	-86	-178.5	162.1	162.2	-2.6	113	L199 I200 H201 T206 L207	L199-R203 PolarHBondContact O-N 2.97Å; I200-R203 PolarHBondContact O-N 3.44Å; H201-R203 PolarHBondContact O-N 2.69Å; R203-T206 WeakPolarHBondContact CA-OG1 3.45Å; R203-T206 PolarHBondContact O-OG1 3.36Å; R203-L207 VanDerWaalsContact O-CB 3.27Å; R203-L207 WeakPolarHBondContact O-CB 3.39Å; R203-L207 PolarHBondContact O-N 2.65Å
204	K	30.1	Very low	34.3	Very low	131 Å²	131	99.8 Å²	99.8	57%	0.57	51%	0.508	S	S	*	.	H	α-helix	trans	-64.1	-42.5	177.8	-80.6	-177.9	174.8	-175.9	0	112.7	I200 H201 F202 L207 N208	I200-K204 HydrophobicContact CG2-CD 4.42Å; I200-K204 WeakPolarHBondContact O-CG 3.35Å; I200-K204 PolarHBondContact O-N 2.71Å; H201-K204 PolarHBondContact O-N 3.47Å; F202-K204 PolarHBondContact O-N 3.4Å; K204-L207 PolarHBondContact O-N 3.05Å; K204-N208 WeakPolarHBondContact O-CB 3.28Å; K204-N208 PolarHBondContact O-N 3.14Å
205	L	33	Very low	34.4	Very low	88 Å²	88	97.3 Å²	97.3	46%	0.461	50%	0.497	S	S	.	.	H	α-helix	trans	-61.8	-51.9	176.7	-72.2	170.1	0	0	0	110.9	H201 F202 L207 N208 D209	H201-L205 WeakPolarHBondContact ND1-CD1 3.14Å; H201-L205 WeakPolarHBondContact O-CG 3.11Å; H201-L205 PolarHBondContact O-N 3.11Å; F202-L205 PolarHBondContact O-N 3.19Å; L205-L207 PolarHBondContact O-N 3.14Å; L205-N208 PolarHBondContact O-N 3.34Å; L205-D209 PolarHBondContact O-N 2.94Å
206	T	34.7	Very low	34.7	Very low	64 Å²	64	97.3 Å²	97.3	39%	0.393	49%	0.488	S	S	.	.	H	α-helix	trans	-60.7	-32.6	176.8	55	0	0	0	0	113.1	F202 R203 N210	F202-T206 HydrophobicContact CD1-CG2 4.48Å; F202-T206 HydrophobicContact CE1-CG2 4.2Å; F202-T206 PolarHBondContact O-N 3.02Å; F202-T206 VanDerWaalsContact O-N 3.09Å; F202-T206 PolarHBondContact O-OG1 3.12Å; R203-T206 WeakPolarHBondContact CA-OG1 3.45Å; R203-T206 PolarHBondContact O-OG1 3.36Å; T206-N210 WeakPolarHBondContact O-CB 3.29Å; T206-N210 PolarHBondContact O-N 3.28Å; T206-N210 PolarHBondContact O-ND2 3.08Å; T206-N210 VanDerWaalsContact O-ND2 3.13Å
207	L	34.2	Very low	34.6	Very low	103 Å²	103	96.9 Å²	96.9	54%	0.539	48%	0.478	S	S	.	.	H	α-helix	trans	-73.7	-41.8	177.6	-161.9	82.4	0	0	0	111.4	R203 K204 L205 N210 I211	R203-L207 VanDerWaalsContact O-CB 3.27Å; R203-L207 WeakPolarHBondContact O-CB 3.39Å; R203-L207 PolarHBondContact O-N 2.65Å; K204-L207 PolarHBondContact O-N 3.05Å; L205-L207 PolarHBondContact O-N 3.14Å; L207-N210 PolarHBondContact O-N 2.5Å; L207-I211 HydrophobicContact CD2-CD1 3.98Å; L207-I211 HydrophobicContact CG-CD1 3.84Å; L207-I211 HydrophobicContact CG-CG1 4.47Å; L207-I211 WeakPolarHBondContact O-CB 3.42Å; L207-I211 VanDerWaalsContact O-CG1 3.22Å; L207-I211 WeakPolarHBondContact O-CG1 3.48Å; L207-I211 PolarHBondContact O-N 3.05Å
208	N	36.1	Very low	34.6	Very low	101 Å²	101	97.5 Å²	97.5	54%	0.54	48%	0.478	S	S	.	.	H	α-helix	trans	-67.6	-41.5	179.9	-77.7	-2.3	0	0	0	112.2	K204 L205 N210 I211 R212	K204-N208 WeakPolarHBondContact O-CB 3.28Å; K204-N208 PolarHBondContact O-N 3.14Å; L205-N208 PolarHBondContact O-N 3.34Å; N208-N210 VanDerWaalsContact C-N 3.32Å; N208-N210 PolarHBondContact O-N 2.98Å; N208-I211 PolarHBondContact O-N 3.08Å; N208-R212 WeakPolarHBondContact O-CB 3.13Å; N208-R212 PolarHBondContact O-N 2.93Å
209	D	40.8	Very low	34.7	Very low	87 Å²	87	102.5 Å²	102.5	47%	0.465	49%	0.491	S	S	.	.	H	α-helix	trans	-65.5	-36.5	175	-79.4	-24.3	0	0	0	111.8	L205 K213	L205-D209 PolarHBondContact O-N 2.94Å; D209-K213 VanDerWaalsContact O-CG 3.27Å; D209-K213 WeakPolarHBondContact O-CG 3.16Å; D209-K213 PolarHBondContact O-N 2.71Å; D209-K213 VanDerWaalsContact O-N 3.1Å
210	N	36.6	Very low	34.6	Very low	84 Å²	84	101.9 Å²	101.9	45%	0.449	49%	0.487	S	S	.	.	H	α-helix	trans	-70.2	-41	174.3	-71.7	-15.7	0	0	0	112	T206 L207 N208 K213 I214	T206-N210 WeakPolarHBondContact O-CB 3.29Å; T206-N210 PolarHBondContact O-N 3.28Å; T206-N210 PolarHBondContact O-ND2 3.08Å; T206-N210 VanDerWaalsContact O-ND2 3.13Å; L207-N210 PolarHBondContact O-N 2.5Å; N208-N210 VanDerWaalsContact C-N 3.32Å; N208-N210 PolarHBondContact O-N 2.98Å; N210-K213 PolarHBondContact O-N 3.25Å; N210-I214 WeakPolarHBondContact O-CD1 3.48Å; N210-I214 VanDerWaalsContact O-CG1 3.24Å; N210-I214 WeakPolarHBondContact O-CG1 3.35Å; N210-I214 PolarHBondContact O-N 3.1Å
211	I	36.8	Very low	34.5	Very low	83 Å²	83	102.2 Å²	102.2	43%	0.426	49%	0.487	S	S	.	.	H	α-helix	trans	-63.9	-42.5	175.4	-72.8	165.1	0	0	0	110.9	L207 N208 K213 I214 T215	L207-I211 HydrophobicContact CD2-CD1 3.98Å; L207-I211 HydrophobicContact CG-CD1 3.84Å; L207-I211 HydrophobicContact CG-CG1 4.47Å; L207-I211 WeakPolarHBondContact O-CB 3.42Å; L207-I211 VanDerWaalsContact O-CG1 3.22Å; L207-I211 WeakPolarHBondContact O-CG1 3.48Å; L207-I211 PolarHBondContact O-N 3.05Å; N208-I211 PolarHBondContact O-N 3.08Å; I211-K213 PolarHBondContact O-N 2.87Å; I211-I214 WeakPolarHBondContact O-CB 3.14Å; I211-I214 PolarHBondContact O-N 2.93Å; I211-I214 VanDerWaalsContact O-N 3.16Å; I211-T215 PolarHBondContact O-N 3.41Å; I211-T215 PolarHBondContact O-OG1 2.94Å
212	R	40.1	Very low	34.5	Very low	149 Å²	149	102.9 Å²	102.9	56%	0.562	49%	0.493	S	S	*	.	H	α-helix	trans	-60.5	-45.8	177	177.7	-179.3	150.7	-152.5	-11.5	111.1	N208 I214 T215 E216	N208-R212 WeakPolarHBondContact O-CB 3.13Å; N208-R212 PolarHBondContact O-N 2.93Å; R212-I214 VanDerWaalsContact C-N 3.33Å; R212-I214 PolarHBondContact O-N 3.33Å; R212-T215 WeakPolarHBondContact CA-OG1 3.19Å; R212-T215 PolarHBondContact O-N 3.42Å; R212-T215 PolarHBondContact O-OG1 3.04Å; R212-E216 WeakPolarHBondContact CG-OE1 3.42Å; R212-E216 IonicContact CZ-OE1 3.83Å; R212-E216 IonicContact NE-OE1 2.86Å; R212-E216 PolarHBondContact NE-OE1 3.04Å; R212-E216 IonicContact NH2-OE1 2.78Å; R212-E216 PolarHBondContact NH2-OE1 3.34Å; R212-E216 WeakPolarHBondContact O-CG 3.28Å; R212-E216 PolarHBondContact O-N 3.41Å
213	K	39.7	Very low	34.4	Very low	119 Å²	119	105.5 Å²	105.5	52%	0.517	50%	0.504	S	S	.	.	H	α-helix	trans	-58.4	-44.3	173	-72.4	169.7	-176	177.6	0	111.4	D209 N210 I211 T215 E216 W217	D209-K213 VanDerWaalsContact O-CG 3.27Å; D209-K213 WeakPolarHBondContact O-CG 3.16Å; D209-K213 PolarHBondContact O-N 2.71Å; D209-K213 VanDerWaalsContact O-N 3.1Å; N210-K213 PolarHBondContact O-N 3.25Å; I211-K213 PolarHBondContact O-N 2.87Å; K213-T215 PolarHBondContact O-N 3.25Å; K213-E216 PolarHBondContact O-N 3.13Å; K213-W217 PolarHBondContact O-N 3.09Å
214	I	35.4	Very low	34.4	Very low	71 Å²	71	99 Å²	99	36%	0.364	49%	0.488	S	S	.	.	H	α-helix	trans	-60	-41.9	175.8	-68.2	160.7	0	0	0	111.9	N210 I211 R212 W217 D218 M273	N210-I214 WeakPolarHBondContact O-CD1 3.48Å; N210-I214 VanDerWaalsContact O-CG1 3.24Å; N210-I214 WeakPolarHBondContact O-CG1 3.35Å; N210-I214 PolarHBondContact O-N 3.1Å; I211-I214 WeakPolarHBondContact O-CB 3.14Å; I211-I214 PolarHBondContact O-N 2.93Å; I211-I214 VanDerWaalsContact O-N 3.16Å; R212-I214 VanDerWaalsContact C-N 3.33Å; R212-I214 PolarHBondContact O-N 3.33Å; I214-W217 WeakPolarHBondContact O-CB 3.5Å; I214-W217 PolarHBondContact O-N 2.93Å; I214-W217 VanDerWaalsContact O-N 3.17Å; I214-D218 PolarHBondContact O-N 3.4Å; I214-M273 HydrophobicContact CD1-CE 4.3Å
215	T	34.3	Very low	34.3	Very low	74 Å²	74	99.3 Å²	99.3	45%	0.454	49%	0.491	S	S	.	.	H	α-helix	trans	-72.6	-26.6	176.9	49.8	0	0	0	0	114.2	I211 R212 K213 W217	I211-T215 PolarHBondContact O-N 3.41Å; I211-T215 PolarHBondContact O-OG1 2.94Å; R212-T215 WeakPolarHBondContact CA-OG1 3.19Å; R212-T215 PolarHBondContact O-N 3.42Å; R212-T215 PolarHBondContact O-OG1 3.04Å; K213-T215 PolarHBondContact O-N 3.25Å; T215-W217 VanDerWaalsContact C-N 3.33Å
216	E	39.8	Very low	34.2	Very low	87 Å²	87	103.3 Å²	103.3	41%	0.407	51%	0.508	S	S	.	.	H	α-helix	trans	-71.5	-32	169.4	-71	167.6	-173.6	0	0	110.2	R212 K213 I220	R212-E216 WeakPolarHBondContact CG-OE1 3.42Å; R212-E216 IonicContact CZ-OE1 3.83Å; R212-E216 IonicContact NE-OE1 2.86Å; R212-E216 PolarHBondContact NE-OE1 3.04Å; R212-E216 IonicContact NH2-OE1 2.78Å; R212-E216 PolarHBondContact NH2-OE1 3.34Å; R212-E216 WeakPolarHBondContact O-CG 3.28Å; R212-E216 PolarHBondContact O-N 3.41Å; K213-E216 PolarHBondContact O-N 3.13Å; E216-I220 WeakPolarHBondContact O-CD1 3.45Å; E216-I220 WeakPolarHBondContact O-CG1 3.16Å
217	W	31.8	Very low	33.9	Very low	68 Å²	68	105.5 Å²	105.5	26%	0.258	53%	0.525	S	S	.	.	H	α-helix	trans	-71.9	-41.1	176.2	-84.6	48.4	0	0	0	114.7	K213 I214 T215 Q219 I220 Q221 D280	K213-W217 PolarHBondContact O-N 3.09Å; I214-W217 WeakPolarHBondContact O-CB 3.5Å; I214-W217 PolarHBondContact O-N 2.93Å; I214-W217 VanDerWaalsContact O-N 3.17Å; T215-W217 VanDerWaalsContact C-N 3.33Å; W217-Q219 PolarHBondContact O-N 3.3Å; W217-Q219 VanDerWaalsContact O-N 3.08Å; W217-I220 CarbonylContact O-C 3.57Å; W217-I220 WeakPolarHBondContact O-CA 3.33Å; W217-I220 PolarHBondContact O-N 3.06Å; W217-Q221 PolarHBondContact O-N 2.94Å; W217-D280 HydrophobicContact CH2-CB 3.51Å; W217-D280 WeakPolarHBondContact CH2-OD2 3.31Å; W217-D280 HydrophobicContact CZ2-CB 4Å; W217-D280 HydrophobicContact CZ3-CB 4.26Å; W217-D280 WeakPolarHBondContact CZ3-OD1 3.49Å
218	D	31.2	Very low	33.5	Very low	95 Å²	95	106.9 Å²	106.9	51%	0.508	53%	0.531	S	S	.	.	H	α-helix	trans	-54.7	-31.4	175.5	-80.2	-24.6	0	0	0	111.5	I214 I222	I214-D218 PolarHBondContact O-N 3.4Å; D218-I222 WeakPolarHBondContact O-CD1 3.35Å; D218-I222 VanDerWaalsContact O-CG1 3.3Å; D218-I222 WeakPolarHBondContact O-CG1 3.46Å
219	Q	35.6	Very low	33.1	Very low	144 Å²	144	111.7 Å²	111.7	67%	0.673	55%	0.548	S	S	*	.	H	α-helix	trans	-80.2	-17.4	176.4	-61.9	-171.4	1.7	0	0	114.5	W217	W217-Q219 PolarHBondContact O-N 3.3Å; W217-Q219 VanDerWaalsContact O-N 3.08Å
220	I	31.9	Very low	32.4	Very low	99 Å²	99	116.8 Å²	116.8	51%	0.508	57%	0.569	S	S	.	*	H	α-helix	trans	-91.4	-40.7	176.9	-66	166.4	0	0	0	109.6	E216 W217 I222 K223 S224	E216-I220 WeakPolarHBondContact O-CD1 3.45Å; E216-I220 WeakPolarHBondContact O-CG1 3.16Å; W217-I220 CarbonylContact O-C 3.57Å; W217-I220 WeakPolarHBondContact O-CA 3.33Å; W217-I220 PolarHBondContact O-N 3.06Å; I220-I222 VanDerWaalsContact C-N 3.33Å; I220-I222 PolarHBondContact O-N 3.49Å; I220-K223 WeakPolarHBondContact O-CA 3.43Å; I220-K223 WeakPolarHBondContact O-CB 3.2Å; I220-K223 PolarHBondContact O-N 2.83Å; I220-S224 PolarHBondContact O-N 3.5Å; I220-S224 VanDerWaalsContact O-N 3.09Å
221	Q	30.2	Very low	32	Very low	98 Å²	98	123 Å²	123	46%	0.458	59%	0.586	S	S	.	*	H	α-helix	trans	-63.3	-39.3	-177.9	-161.5	171	-35.8	0	0	112	W217 K223 S224 E225	W217-Q221 PolarHBondContact O-N 2.94Å; Q221-K223 PolarHBondContact O-N 2.96Å; Q221-K223 VanDerWaalsContact O-N 3.13Å; Q221-S224 WeakPolarHBondContact CA-OG 3.38Å; Q221-S224 PolarHBondContact O-N 3.47Å; Q221-S224 VanDerWaalsContact O-N 3.11Å; Q221-S224 PolarHBondContact O-OG 3.06Å; Q221-E225 PolarHBondContact O-N 3Å
222	I	31.4	Very low	31.5	Very low	125 Å²	125	128 Å²	128	64%	0.641	61%	0.607	S	S	*	*	H	α-helix	trans	-58.5	-22.4	171.3	-68.9	170	0	0	0	112.8	D218 I220	D218-I222 WeakPolarHBondContact O-CD1 3.35Å; D218-I222 VanDerWaalsContact O-CG1 3.3Å; D218-I222 WeakPolarHBondContact O-CG1 3.46Å; I220-I222 VanDerWaalsContact C-N 3.33Å; I220-I222 PolarHBondContact O-N 3.49Å
223	K	28.8	Very low	30.9	Very low	152 Å²	152	125.6 Å²	125.6	66%	0.661	61%	0.613	S	S	*	*	H	α-helix	trans	-96.3	-21.6	176.7	-65.5	179.4	176.6	178.6	0	113.8	I220 Q221	I220-K223 WeakPolarHBondContact O-CA 3.43Å; I220-K223 WeakPolarHBondContact O-CB 3.2Å; I220-K223 PolarHBondContact O-N 2.83Å; Q221-K223 PolarHBondContact O-N 2.96Å; Q221-K223 VanDerWaalsContact O-N 3.13Å
224	S	29.2	Very low	30.5	Very low	56 Å²	56	128.8 Å²	128.8	39%	0.392	62%	0.623	S	S	.	*	H	α-helix	trans	-83.4	-24.9	178.5	54.7	0	0	0	0	113.4	I220 Q221 E226 C227	I220-S224 PolarHBondContact O-N 3.5Å; I220-S224 VanDerWaalsContact O-N 3.09Å; Q221-S224 WeakPolarHBondContact CA-OG 3.38Å; Q221-S224 PolarHBondContact O-N 3.47Å; Q221-S224 VanDerWaalsContact O-N 3.11Å; Q221-S224 PolarHBondContact O-OG 3.06Å; S224-E226 PolarHBondContact O-N 2.88Å; S224-C227 PolarHBondContact O-N 3.49Å; S224-C227 VanDerWaalsContact O-N 3.08Å
225	E	29.9	Very low	30.3	Very low	138 Å²	138	131.2 Å²	131.2	65%	0.645	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-65.4	-18.2	178	-72.9	176.1	-177.5	0	0	112.8	Q221 C227	Q221-E225 PolarHBondContact O-N 3Å; E225-C227 VanDerWaalsContact C-N 3.31Å; E225-C227 PolarHBondContact O-N 2.82Å
226	E	31	Very low	30.1	Very low	172 Å²	172	135.8 Å²	135.8	80%	0.804	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-77.9	-5.2	172.9	-62.8	-173.8	145.2	0	0	114.1	S224	S224-E226 PolarHBondContact O-N 2.88Å
227	C	26.6	Very low	29.8	Very low	111 Å²	111	137.4 Å²	137.4	75%	0.75	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-116	4	-168.9	-76.8	0	0	0	0	117.2	S224 E225	S224-C227 PolarHBondContact O-N 3.49Å; S224-C227 VanDerWaalsContact O-N 3.08Å; E225-C227 VanDerWaalsContact C-N 3.31Å; E225-C227 PolarHBondContact O-N 2.82Å
228	I	27.1	Very low	29.9	Very low	131 Å²	131	138.3 Å²	138.3	67%	0.672	68%	0.676	S	S	*	*			trans	-104.1	91.9	-171.2	-53.4	-179.1	0	0	0	112.8
229	F	26.1	Very low	29.9	Very low	203 Å²	203	139.3 Å²	139.3	89%	0.89	68%	0.682	S	S	*	*			trans	-127.2	88.8	167.8	-119.1	-81.4	0	0	0	109.5
230	Q	27.6	Very low	29.6	Very low	193 Å²	193	139 Å²	139	90%	0.902	69%	0.685	S	S	*	*			trans	-177	1.7	160.3	-110.5	168.8	20.9	0	0	117.8	Q232	Q230-Q232 PolarHBondContact O-N 2.87Å
231	R	27.5	Very low	29.7	Very low	216 Å²	216	141.8 Å²	141.8	82%	0.815	70%	0.696	S	S	*	*			trans	-92.6	91.5	176.1	-76.5	-174.4	179.1	162.7	3.2	112.3
232	Q	26	Very low	29.8	Very low	187 Å²	187	142.8 Å²	142.8	87%	0.874	70%	0.703	S	S	*	*			trans	-135.9	90.1	164.6	-75.8	-175.4	-20.1	0	0	109	Q230	Q230-Q232 PolarHBondContact O-N 2.87Å
233	S	28.9	Very low	29.7	Very low	98 Å²	98	144.7 Å²	144.7	69%	0.685	71%	0.709	S	S	*	*	S	Bend	trans	-177.2	-17.4	166.5	49.2	0	0	0	0	116.2
234	Y	31	Very low	29.8	Very low	187 Å²	187	141.1 Å²	141.1	73%	0.733	72%	0.716	S	S	*	*	S	Bend	trans	-110	-16	-167.1	-107.8	-90.9	0	0	0	116.7	Q236	Y234-Q236 PolarHBondContact O-N 2.94Å
235	D	30.4	Very low	30	Very low	121 Å²	121	144.9 Å²	144.9	65%	0.647	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-79.3	-17.7	-171.5	-57.4	-47	0	0	0	113.6	I237	D235-I237 PolarHBondContact O-N 2.82Å
236	Q	31	Very low	29.9	Very low	170 Å²	170	145.4 Å²	145.4	79%	0.794	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-79.9	-4.5	-176.6	-75.5	-179.6	-43.7	0	0	115.7	Y234	Y234-Q236 PolarHBondContact O-N 2.94Å
237	I	32.1	Very low	29.8	Very low	121 Å²	121	142.7 Å²	142.7	62%	0.621	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-103.7	-15.7	-174.9	-62	175.1	0	0	0	112.3	D235	D235-I237 PolarHBondContact O-N 2.82Å
238	V	33.5	Very low	29.9	Very low	87 Å²	87	142.7 Å²	142.7	53%	0.527	73%	0.733	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.4	-34.5	-173.5	-178.3	0	0	0	0	112.5	L242	V238-L242 HydrophobicContact CG1-CD1 4.2Å; V238-L242 WeakPolarHBondContact O-CD1 3.33Å
239	D	31.2	Very low	30	Very low	117 Å²	117	145 Å²	145	63%	0.626	74%	0.74	S	S	*	*	S	Bend	trans	-72.3	-43.1	-176.4	-71.1	-20.4	0	0	0	112.4	Q241 L242	D239-Q241 PolarHBondContact O-N 2.67Å; D239-Q241 VanDerWaalsContact O-N 3.08Å; D239-L242 PolarHBondContact O-N 2.85Å; D239-L242 VanDerWaalsContact O-N 3.1Å
240	D	30.4	Very low	30.1	Very low	138 Å²	138	143.7 Å²	143.7	74%	0.738	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-19.8	-178.8	-80.2	4.9	0	0	0	114.5
241	Q	34	Very low	30.2	Very low	157 Å²	157	138.8 Å²	138.8	73%	0.734	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	-9.8	178	-64.8	-152.8	-7.3	0	0	114.4	D239	D239-Q241 PolarHBondContact O-N 2.67Å; D239-Q241 VanDerWaalsContact O-N 3.08Å
242	L	32.3	Very low	30.2	Very low	119 Å²	119	135.5 Å²	135.5	62%	0.623	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-24.6	177.9	-97.4	91.2	0	0	0	114	V238 D239 G244	V238-L242 HydrophobicContact CG1-CD1 4.2Å; V238-L242 WeakPolarHBondContact O-CD1 3.33Å; D239-L242 PolarHBondContact O-N 2.85Å; D239-L242 VanDerWaalsContact O-N 3.1Å; L242-G244 PolarHBondContact O-N 3.1Å
243	E	30	Very low	30.3	Very low	164 Å²	164	134.1 Å²	134.1	77%	0.766	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-66.8	-22.7	-178.2	-66.1	-157	135.3	0	0	113.8	I245	E243-I245 PolarHBondContact O-N 3.22Å
244	G	30.8	Very low	30.1	Very low	77 Å²	77	139.9 Å²	139.9	79%	0.794	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-77.6	-7.2	-176.2	0	0	0	0	0	116.8	L242	L242-G244 PolarHBondContact O-N 3.1Å
245	I	32.5	Very low	29.7	Very low	136 Å²	136	140.3 Å²	140.3	70%	0.697	73%	0.734	S	S	*	*	G	3₁₀ helix	trans	-109.3	-0.5	-169	-58.6	178.8	0	0	0	112.7	E243 T247	E243-I245 PolarHBondContact O-N 3.22Å; I245-T247 PolarHBondContact O-N 3.29Å
246	I	26.8	Very low	29.3	Very low	148 Å²	148	139.8 Å²	139.8	76%	0.759	74%	0.739	S	S	*	*			trans	-80.7	76.9	-176.6	-51.5	179.8	0	0	0	111.5	S248	I246-S248 PolarHBondContact O-N 3.27Å
247	T	29.3	Very low	29	Very low	116 Å²	116	138.6 Å²	138.6	71%	0.712	74%	0.738	S	S	*	*			trans	-75.6	86.9	171.4	52.8	0	0	0	0	112.1	I245 Q249	I245-T247 PolarHBondContact O-N 3.29Å; T247-Q249 VanDerWaalsContact C-N 3.26Å; T247-Q249 PolarHBondContact O-N 3.07Å
248	S	29.4	Very low	28.6	Very low	111 Å²	111	142 Å²	142	78%	0.776	75%	0.748	S	S	*	*	S	Bend	trans	35.9	15.9	138.8	62.8	0	0	0	0	123.2	I246	I246-S248 PolarHBondContact O-N 3.27Å
249	Q	29.4	Very low	28.2	Very low	178 Å²	178	145 Å²	145	83%	0.832	76%	0.762	S	S	*	*	S	Bend	trans	-129.4	0.8	178.6	-75.9	-164.8	-13.3	0	0	116.1	T247	T247-Q249 VanDerWaalsContact C-N 3.26Å; T247-Q249 PolarHBondContact O-N 3.07Å
250	E	29	Very low	27.9	Very low	177 Å²	177	148.9 Å²	148.9	83%	0.827	77%	0.773	S	S	*	*	S	Bend	trans	-108.8	2.6	-179.6	-63.4	-162.2	136.8	0	0	115	D252	E250-D252 VanDerWaalsContact C-N 3.3Å; E250-D252 PolarHBondContact O-N 3.08Å
251	S	28.8	Very low	27.6	Very low	89 Å²	89	153.8 Å²	153.8	62%	0.622	78%	0.781	S	S	*	*	G	3₁₀ helix	trans	-65.9	-24.6	-179.2	53.9	0	0	0	0	115.1
252	D	26.6	Very low	27.3	Very low	148 Å²	148	154.6 Å²	154.6	79%	0.791	79%	0.79	S	S	*	*	G	3₁₀ helix	trans	-93.4	1.8	-163.5	-69.2	1.2	0	0	0	114.5	E250	E250-D252 VanDerWaalsContact C-N 3.3Å; E250-D252 PolarHBondContact O-N 3.08Å
253	L	28.6	Very low	27	Very low	157 Å²	157	155.7 Å²	155.7	82%	0.822	79%	0.794	S	S	*	*	G	3₁₀ helix	trans	-95.6	-1.2	178.5	-88.6	159.2	0	0	0	114.5
254	Y	24.9	Very low	26.9	Very low	219 Å²	219	156.7 Å²	156.7	86%	0.859	80%	0.796	S	S	*	*	S	Bend	trans	-101.7	35	-178.2	-94.8	-84.5	0	0	0	115.1
255	K	22.7	Very low	27.1	Very low	196 Å²	196	159.7 Å²	159.7	85%	0.852	78%	0.784	S	S	*	*			trans	-132.4	138.9	165.9	-84.8	172.5	-179.8	164.9	0	111.8
256	C	22.3	Very low	27.5	Very low	111 Å²	111	155.8 Å²	155.8	75%	0.75	77%	0.769	S	S	*	*			trans	74.1	87.5	167.3	-154.1	0	0	0	0	118.5
257	N	24.6	Very low	28.1	Very low	145 Å²	145	153.5 Å²	153.5	78%	0.775	76%	0.761	S	S	*	*				-178	125.1	92.1	-108.3	-53.1	0	0	0	112.8
258	K	24.5	Very low	28.8	Very low	191 Å²	191	150.2 Å²	150.2	83%	0.83	74%	0.741	S	S	*	*			trans	-74.6	147.4	164.9	-68.5	175.5	176.5	177.7	0	108.8
259	N	23.3	Very low	29.5	Very low	152 Å²	152	148.7 Å²	148.7	81%	0.813	72%	0.721	S	S	*	*	S	Bend	trans	77.8	131.2	178.9	-53	-32.5	0	0	0	116.9
260	K	24.8	Very low	30.2	Very low	197 Å²	197	142.7 Å²	142.7	86%	0.857	70%	0.699	S	S	*	*			trans	66.5	98.1	179.6	-55.3	176.8	-179	176	0	116.4
261	R	25.9	Very low	31	Very low	242 Å²	242	135.8 Å²	135.8	91%	0.913	67%	0.669	S	S	*	*			trans	-176.5	141.4	131.1	-97.4	143.6	-168.6	-172.8	4.1	111.1	I263	R261-I263 PolarHBondContact O-N 3.08Å
262	L	26.2	Very low	31.8	Very low	174 Å²	174	137 Å²	137	91%	0.911	66%	0.663	S	S	*	*			trans	-54.2	131.8	167.4	-74	121.4	0	0	0	109.4	K264	L262-K264 PolarHBondContact O-N 3.11Å
263	I	26.8	Very low	32.7	Very low	141 Å²	141	133.3 Å²	133.3	72%	0.723	64%	0.642	S	S	*	*			trans	-61.5	107.4	-179.3	-61.2	172.2	0	0	0	108	R261 W265	R261-I263 PolarHBondContact O-N 3.08Å; I263-W265 VanDerWaalsContact C-N 3.29Å; I263-W265 HydrophobicContact CG2-CG 4.36Å; I263-W265 PolarHBondContact O-N 2.74Å; I263-W265 VanDerWaalsContact O-N 3.1Å
264	K	26.9	Very low	33.5	Very low	185 Å²	185	130.7 Å²	130.7	80%	0.804	63%	0.627	S	S	*	*			trans	-84.1	82.5	173.6	-172.1	-173.6	-179	-168.6	0	106.6	L262 S266	L262-K264 PolarHBondContact O-N 3.11Å; K264-S266 PolarHBondContact O-N 3.21Å
265	W	35.8	Very low	34.2	Very low	141 Å²	141	121.6 Å²	121.6	53%	0.534	59%	0.594	S	S	.	*			trans	-43.9	125.3	176.4	-72.5	71.9	0	0	0	109.5	I263 E269 M273	I263-W265 VanDerWaalsContact C-N 3.29Å; I263-W265 HydrophobicContact CG2-CG 4.36Å; I263-W265 PolarHBondContact O-N 2.74Å; I263-W265 VanDerWaalsContact O-N 3.1Å; W265-E269 HydrophobicContact CE3-CB 3.78Å; W265-E269 HydrophobicContact CZ3-CB 4.24Å; W265-M273 HydrophobicContact CE3-SD 4.4Å; W265-M273 HydrophobicContact CH2-SD 3.49Å; W265-M273 WeakPolarHBondContact CH2-SD 3.14Å; W265-M273 HydrophobicContact CZ2-SD 4.28Å; W265-M273 HydrophobicContact CZ3-CB 3.94Å; W265-M273 HydrophobicContact CZ3-CG 4.33Å; W265-M273 HydrophobicContact CZ3-SD 3.57Å; W265-M273 VanDerWaalsContact CZ3-SD 3.57Å
266	S	40.2	Very low	35.2	Very low	54 Å²	54	114.8 Å²	114.8	38%	0.378	57%	0.574	S	S	.	*			trans	-68.1	157.1	170.6	73.3	0	0	0	0	108.1	K264 V268 E269 S270	K264-S266 PolarHBondContact O-N 3.21Å; S266-V268 PolarHBondContact O-N 2.9Å; S266-V268 PolarHBondContact OG-N 3.36Å; S266-E269 PolarHBondContact O-N 3.36Å; S266-E269 VanDerWaalsContact O-N 3.16Å; S266-E269 WeakPolarHBondContact OG-CG 3.43Å; S266-E269 PolarHBondContact OG-N 3.26Å; S266-S270 PolarHBondContact O-N 3.21Å; S266-S270 PolarHBondContact O-OG 3.12Å
267	V	41	Very low	36.2	Very low	99 Å²	99	113.1 Å²	113.1	60%	0.6	56%	0.557	S	S	*	*	H	α-helix	trans	-60	-31.6	174.4	-171.7	0	0	0	0	110	T271 F341	V267-T271 VanDerWaalsContact O-CB 3.3Å; V267-T271 WeakPolarHBondContact O-CB 3.24Å; V267-T271 PolarHBondContact O-N 3.41Å; V267-T271 PolarHBondContact O-OG1 3.21Å; V267-F341 HydrophobicContact CG1-CE1 3.74Å; V267-F341 HydrophobicContact CG1-CZ 3.61Å
268	V	42.3	Very low	37.1	Very low	48 Å²	48	110.2 Å²	110.2	29%	0.291	54%	0.538	S	S	.	.	H	α-helix	trans	-61.4	-50.6	173.6	179.6	0	0	0	0	111.3	S266 S270 T271 K272	S266-V268 PolarHBondContact O-N 2.9Å; S266-V268 PolarHBondContact OG-N 3.36Å; V268-S270 PolarHBondContact O-N 3.24Å; V268-T271 CarbonylContact O-C 3.56Å; V268-T271 PolarHBondContact O-N 2.99Å; V268-T271 VanDerWaalsContact O-N 3.1Å; V268-K272 HydrophobicContact CG1-CD 4.04Å; V268-K272 HydrophobicContact CG1-CG 4.45Å; V268-K272 WeakPolarHBondContact O-CG 3.24Å; V268-K272 PolarHBondContact O-N 3.42Å
269	E	44.6	Very low	37.8	Very low	78 Å²	78	106.9 Å²	106.9	36%	0.364	52%	0.524	S	S	.	.	H	α-helix	trans	-69.5	-33.3	179.7	-62.5	-40.3	127.2	0	0	112.8	W265 S266 T271 K272 M273	W265-E269 HydrophobicContact CE3-CB 3.78Å; W265-E269 HydrophobicContact CZ3-CB 4.24Å; S266-E269 PolarHBondContact O-N 3.36Å; S266-E269 VanDerWaalsContact O-N 3.16Å; S266-E269 WeakPolarHBondContact OG-CG 3.43Å; S266-E269 PolarHBondContact OG-N 3.26Å; E269-T271 VanDerWaalsContact C-N 3.32Å; E269-K272 IonicContact OE1-NZ 3.83Å; E269-K272 PolarHBondContact OE1-NZ 3.28Å; E269-K272 WeakPolarHBondContact OE2-CD 3.45Å; E269-K272 IonicContact OE2-NZ 2.75Å; E269-M273 VanDerWaalsContact O-CB 3.27Å; E269-M273 WeakPolarHBondContact O-CB 3.42Å; E269-M273 PolarHBondContact O-N 3.02Å
270	S	44.7	Very low	38.8	Very low	52 Å²	52	102.9 Å²	102.9	36%	0.364	50%	0.503	S	S	.	.	H	α-helix	trans	-65.5	-35.8	169.4	-62	0	0	0	0	112.1	S266 V268 M274	S266-S270 PolarHBondContact O-N 3.21Å; S266-S270 PolarHBondContact O-OG 3.12Å; V268-S270 PolarHBondContact O-N 3.24Å; S270-M274 WeakPolarHBondContact O-CB 3.29Å; S270-M274 WeakPolarHBondContact O-CG 3.09Å; S270-M274 PolarHBondContact O-N 2.76Å
271	T	46.1	Very low	39.6	Very low	32 Å²	32	99 Å²	99	20%	0.196	49%	0.487	C	S	.	.	H	α-helix	trans	-72.3	-41.6	177	-56.3	0	0	0	0	111.2	V267 V268 E269 M274 T275 F341	V267-T271 VanDerWaalsContact O-CB 3.3Å; V267-T271 WeakPolarHBondContact O-CB 3.24Å; V267-T271 PolarHBondContact O-N 3.41Å; V267-T271 PolarHBondContact O-OG1 3.21Å; V268-T271 CarbonylContact O-C 3.56Å; V268-T271 PolarHBondContact O-N 2.99Å; V268-T271 VanDerWaalsContact O-N 3.1Å; E269-T271 VanDerWaalsContact C-N 3.32Å; T271-M274 PolarHBondContact O-N 3.05Å; T271-T275 WeakPolarHBondContact O-CB 3.45Å; T271-T275 PolarHBondContact O-N 2.76Å; T271-T275 PolarHBondContact O-OG1 3.13Å; T271-F341 HydrophobicContact CG2-CE1 4.5Å; T271-F341 WeakPolarHBondContact OG1-CE1 3.36Å
272	K	44	Very low	40.2	Very low	115 Å²	115	91.5 Å²	91.5	50%	0.5	47%	0.465	S	S	.	.	H	α-helix	trans	-61.4	-45.5	172.6	-74.9	167.3	173.1	177.1	0	111.6	V268 E269 T275 A276	V268-K272 HydrophobicContact CG1-CD 4.04Å; V268-K272 HydrophobicContact CG1-CG 4.45Å; V268-K272 WeakPolarHBondContact O-CG 3.24Å; V268-K272 PolarHBondContact O-N 3.42Å; E269-K272 IonicContact OE1-NZ 3.83Å; E269-K272 PolarHBondContact OE1-NZ 3.28Å; E269-K272 WeakPolarHBondContact OE2-CD 3.45Å; E269-K272 IonicContact OE2-NZ 2.75Å; K272-T275 CarbonylContact O-C 3.55Å; K272-T275 WeakPolarHBondContact O-CB 3.44Å; K272-T275 PolarHBondContact O-N 2.89Å; K272-A276 WeakPolarHBondContact O-CB 3.38Å; K272-A276 PolarHBondContact O-N 2.84Å
273	M	46	Very low	40.8	Very low	70 Å²	70	85.1 Å²	85.1	35%	0.345	43%	0.434	S	S	.	.	H	α-helix	trans	-63.3	-43.9	175.6	177.9	-177.9	158.7	0	0	112.1	I214 W265 E269 T275 A276 L277	I214-M273 HydrophobicContact CD1-CE 4.3Å; W265-M273 HydrophobicContact CE3-SD 4.4Å; W265-M273 HydrophobicContact CH2-SD 3.49Å; W265-M273 WeakPolarHBondContact CH2-SD 3.14Å; W265-M273 HydrophobicContact CZ2-SD 4.28Å; W265-M273 HydrophobicContact CZ3-CB 3.94Å; W265-M273 HydrophobicContact CZ3-CG 4.33Å; W265-M273 HydrophobicContact CZ3-SD 3.57Å; W265-M273 VanDerWaalsContact CZ3-SD 3.57Å; E269-M273 VanDerWaalsContact O-CB 3.27Å; E269-M273 WeakPolarHBondContact O-CB 3.42Å; E269-M273 PolarHBondContact O-N 3.02Å; M273-T275 VanDerWaalsContact C-N 3.29Å; M273-T275 PolarHBondContact O-N 2.91Å; M273-A276 PolarHBondContact O-N 3.24Å; M273-L277 HydrophobicContact CE-CD1 4.1Å; M273-L277 HydrophobicContact CG-CD1 4.19Å; M273-L277 WeakPolarHBondContact O-CB 3.46Å; M273-L277 VanDerWaalsContact O-CG 3.25Å; M273-L277 WeakPolarHBondContact O-CG 3.48Å; M273-L277 PolarHBondContact O-N 3.48Å
274	M	45.9	Very low	41.5	Very low	102 Å²	102	82.4 Å²	82.4	50%	0.502	42%	0.42	S	S	.	.	H	α-helix	trans	-61.7	-40.3	172.3	-73.1	-71.9	-78.1	0	0	111.4	S270 T271 L277 F278	S270-M274 WeakPolarHBondContact O-CB 3.29Å; S270-M274 WeakPolarHBondContact O-CG 3.09Å; S270-M274 PolarHBondContact O-N 2.76Å; T271-M274 PolarHBondContact O-N 3.05Å; M274-L277 PolarHBondContact O-N 3.14Å; M274-L277 HydrophobicContact SD-CD1 4.35Å; M274-F278 HydrophobicContact CE-CE2 3.87Å; M274-F278 HydrophobicContact CE-CZ 4.32Å; M274-F278 WeakPolarHBondContact O-CD2 3.3Å; M274-F278 WeakPolarHBondContact O-CG 3.45Å; M274-F278 PolarHBondContact O-N 2.91Å
275	T	40.4	Very low	42.2	Very low	29 Å²	29	76.6 Å²	76.6	18%	0.178	40%	0.397	C	S	.	.	H	α-helix	trans	-64.9	-42.3	178.3	-61	0	0	0	0	110.6	T271 K272 M273 F278 F279 N344	T271-T275 WeakPolarHBondContact O-CB 3.45Å; T271-T275 PolarHBondContact O-N 2.76Å; T271-T275 PolarHBondContact O-OG1 3.13Å; K272-T275 CarbonylContact O-C 3.55Å; K272-T275 WeakPolarHBondContact O-CB 3.44Å; K272-T275 PolarHBondContact O-N 2.89Å; M273-T275 VanDerWaalsContact C-N 3.29Å; M273-T275 PolarHBondContact O-N 2.91Å; T275-F278 CarbonylContact O-C 3.27Å; T275-F278 VanDerWaalsContact O-C 3.27Å; T275-F278 WeakPolarHBondContact O-CA 3.07Å; T275-F278 PolarHBondContact O-N 3.01Å; T275-F278 VanDerWaalsContact O-N 3.11Å; T275-F279 HydrophobicContact CG2-CD2 3.47Å; T275-F279 VanDerWaalsContact CG2-CD2 3.47Å; T275-F279 HydrophobicContact CG2-CE2 3.49Å; T275-F279 VanDerWaalsContact CG2-CE2 3.49Å; T275-F279 WeakPolarHBondContact O-CB 3.03Å; T275-F279 VanDerWaalsContact O-CD2 3.31Å; T275-F279 WeakPolarHBondContact O-CD2 3.07Å; T275-F279 PolarHBondContact O-N 3.42Å; T275-N344 PolarHBondContact OG1-ND2 3.04Å
276	A	42.2	Very low	42.5	Very low	52 Å²	52	74.9 Å²	74.9	43%	0.43	39%	0.394	S	S	.	.	H	α-helix	trans	-61.5	-46.4	172	0	0	0	0	0	112.4	K272 M273 F278 F279	K272-A276 WeakPolarHBondContact O-CB 3.38Å; K272-A276 PolarHBondContact O-N 2.84Å; M273-A276 PolarHBondContact O-N 3.24Å; A276-F278 PolarHBondContact O-N 3.04Å; A276-F278 VanDerWaalsContact O-N 3.09Å; A276-F279 PolarHBondContact O-N 3.4Å
277	L	43.2	Very low	42.7	Very low	76 Å²	76	75 Å²	75	40%	0.398	39%	0.388	S	S	.	.	H	α-helix	trans	-59.2	-19.9	172.6	-71.7	166.3	0	0	0	113.3	M273 M274	M273-L277 HydrophobicContact CE-CD1 4.1Å; M273-L277 HydrophobicContact CG-CD1 4.19Å; M273-L277 WeakPolarHBondContact O-CB 3.46Å; M273-L277 VanDerWaalsContact O-CG 3.25Å; M273-L277 WeakPolarHBondContact O-CG 3.48Å; M273-L277 PolarHBondContact O-N 3.48Å; M274-L277 PolarHBondContact O-N 3.14Å; M274-L277 HydrophobicContact SD-CD1 4.35Å
278	F	43.7	Very low	42.8	Very low	84 Å²	84	75.9 Å²	75.9	37%	0.368	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	7	174.3	-66.2	-55.5	0	0	0	114	M274 T275 A276 R347	M274-F278 HydrophobicContact CE-CE2 3.87Å; M274-F278 HydrophobicContact CE-CZ 4.32Å; M274-F278 WeakPolarHBondContact O-CD2 3.3Å; M274-F278 WeakPolarHBondContact O-CG 3.45Å; M274-F278 PolarHBondContact O-N 2.91Å; T275-F278 CarbonylContact O-C 3.27Å; T275-F278 VanDerWaalsContact O-C 3.27Å; T275-F278 WeakPolarHBondContact O-CA 3.07Å; T275-F278 PolarHBondContact O-N 3.01Å; T275-F278 VanDerWaalsContact O-N 3.11Å; A276-F278 PolarHBondContact O-N 3.04Å; A276-F278 VanDerWaalsContact O-N 3.09Å; F278-R347 PolarHBondContact O-NH1 3Å
279	F	39.4	Very low	42.9	Very low	121 Å²	121	78.5 Å²	78.5	53%	0.531	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-11.4	-178	-117.2	-74.1	0	0	0	114	T275 A276	T275-F279 HydrophobicContact CG2-CD2 3.47Å; T275-F279 VanDerWaalsContact CG2-CD2 3.47Å; T275-F279 HydrophobicContact CG2-CE2 3.49Å; T275-F279 VanDerWaalsContact CG2-CE2 3.49Å; T275-F279 WeakPolarHBondContact O-CB 3.03Å; T275-F279 VanDerWaalsContact O-CD2 3.31Å; T275-F279 WeakPolarHBondContact O-CD2 3.07Å; T275-F279 PolarHBondContact O-N 3.42Å; A276-F279 PolarHBondContact O-N 3.4Å
280	D	43.8	Very low	42.8	Very low	69 Å²	69	77.6 Å²	77.6	37%	0.369	39%	0.39	S	S	.	.	S	Bend	trans	-74.7	164	-179	-115.4	36.3	0	0	0	113.8	W217 L282 P283	W217-D280 HydrophobicContact CH2-CB 3.51Å; W217-D280 WeakPolarHBondContact CH2-OD2 3.31Å; W217-D280 HydrophobicContact CZ2-CB 4Å; W217-D280 HydrophobicContact CZ3-CB 4.26Å; W217-D280 WeakPolarHBondContact CZ3-OD1 3.49Å; D280-L282 PolarHBondContact O-N 3.34Å; D280-P283 WeakPolarHBondContact O-CD 3.43Å
281	E	42.6	Very low	42.6	Very low	114 Å²	114	78.5 Å²	78.5	53%	0.533	39%	0.391	S	S	.	.	S	Bend	trans	-58.4	-8.6	-176.7	-60.8	-159.9	148.1	0	0	114.9	P283 I284 I285	E281-P283 VanDerWaalsContact O-N 3.16Å; E281-I284 CarbonylContact O-C 3.6Å; E281-I284 VanDerWaalsContact O-CA 3.31Å; E281-I284 WeakPolarHBondContact O-CA 3.36Å; E281-I284 WeakPolarHBondContact O-CB 3.46Å; E281-I284 PolarHBondContact O-N 3.03Å; E281-I285 HydrophobicContact CB-CD1 3.63Å; E281-I285 HydrophobicContact CB-CG1 3.87Å; E281-I285 WeakPolarHBondContact O-CG1 3.33Å; E281-I285 PolarHBondContact O-N 3.41Å
282	L	38.5	Very low	42.3	Very low	86 Å²	86	80.2 Å²	80.2	45%	0.45	40%	0.399	S	S	.	.	H	α-helix	trans	-47.3	-46.7	-173.5	-73.2	172.3	0	0	0	114.9	D280 I284 I285 F286	D280-L282 PolarHBondContact O-N 3.34Å; L282-I284 VanDerWaalsContact C-N 3.29Å; L282-I284 PolarHBondContact O-N 3.08Å; L282-I285 PolarHBondContact O-N 2.89Å; L282-F286 WeakPolarHBondContact O-CB 3.3Å; L282-F286 WeakPolarHBondContact O-CD2 3.29Å; L282-F286 PolarHBondContact O-N 2.76Å
283	P	38.5	Very low	42	Very low	39 Å²	39	81.4 Å²	81.4	25%	0.253	41%	0.406	S	S	.	.	H	α-helix	trans	-66.2	-29.7	175.4	-20.3	34.4	0	0	0	113.6	D280 E281 E287 R350	D280-P283 WeakPolarHBondContact O-CD 3.43Å; E281-P283 VanDerWaalsContact O-N 3.16Å; P283-E287 WeakPolarHBondContact O-CB 3.37Å; P283-E287 VanDerWaalsContact O-CG 3.3Å; P283-E287 WeakPolarHBondContact O-CG 3.14Å; P283-E287 PolarHBondContact O-N 3.32Å; P283-R350 VanDerWaalsContact CB-NH2 3.3Å
284	I	41.3	Very low	41.6	Very low	85 Å²	85	82 Å²	82	44%	0.436	41%	0.41	S	S	.	.	H	α-helix	trans	-78.8	-34.6	177.4	-62.5	165.3	0	0	0	110.6	E281 L282 K288	E281-I284 CarbonylContact O-C 3.6Å; E281-I284 VanDerWaalsContact O-CA 3.31Å; E281-I284 WeakPolarHBondContact O-CA 3.36Å; E281-I284 WeakPolarHBondContact O-CB 3.46Å; E281-I284 PolarHBondContact O-N 3.03Å; L282-I284 VanDerWaalsContact C-N 3.29Å; L282-I284 PolarHBondContact O-N 3.08Å; I284-K288 WeakPolarHBondContact O-CB 3.09Å; I284-K288 WeakPolarHBondContact O-CG 3.34Å; I284-K288 PolarHBondContact O-N 3.05Å
285	I	42.2	Very low	41.2	Very low	63 Å²	63	82.3 Å²	82.3	32%	0.323	42%	0.418	S	S	.	.	H	α-helix	trans	-67.6	-46.1	171.6	-68.1	166.8	0	0	0	109.4	E281 L282 K288 E289	E281-I285 HydrophobicContact CB-CD1 3.63Å; E281-I285 HydrophobicContact CB-CG1 3.87Å; E281-I285 WeakPolarHBondContact O-CG1 3.33Å; E281-I285 PolarHBondContact O-N 3.41Å; L282-I285 PolarHBondContact O-N 2.89Å; I285-K288 CarbonylContact O-C 3.33Å; I285-K288 WeakPolarHBondContact O-CB 3.41Å; I285-K288 PolarHBondContact O-N 3.41Å; I285-K288 VanDerWaalsContact O-N 3.16Å; I285-E289 WeakPolarHBondContact O-CB 3.17Å; I285-E289 PolarHBondContact O-N 3.44Å
286	F	42.9	Very low	40.9	Very low	105 Å²	105	89.2 Å²	89.2	46%	0.461	44%	0.441	S	S	.	.	H	α-helix	trans	-65	-37.5	173.2	-79.7	-60.8	0	0	0	112.2	L282 E289 I290	L282-F286 WeakPolarHBondContact O-CB 3.3Å; L282-F286 WeakPolarHBondContact O-CD2 3.29Å; L282-F286 PolarHBondContact O-N 2.76Å; F286-E289 PolarHBondContact O-N 2.71Å; F286-I290 VanDerWaalsContact O-CB 3.27Å; F286-I290 WeakPolarHBondContact O-CB 3.42Å; F286-I290 WeakPolarHBondContact O-CD1 3.35Å; F286-I290 WeakPolarHBondContact O-CG1 3.46Å; F286-I290 PolarHBondContact O-N 2.73Å
287	E	43.1	Very low	40.3	Very low	55 Å²	55	93 Å²	93	26%	0.257	45%	0.454	S	S	.	.	H	α-helix	trans	-61.3	-43.5	169.5	-83.8	166.7	-175.4	0	0	111.3	P283 N291 R350	P283-E287 WeakPolarHBondContact O-CB 3.37Å; P283-E287 VanDerWaalsContact O-CG 3.3Å; P283-E287 WeakPolarHBondContact O-CG 3.14Å; P283-E287 PolarHBondContact O-N 3.32Å; E287-N291 WeakPolarHBondContact O-CB 3.19Å; E287-N291 PolarHBondContact O-N 3.44Å; E287-N291 PolarHBondContact O-ND2 2.02Å; E287-R350 IonicContact OE1-NH1 2.75Å; E287-R350 PolarHBondContact OE1-NH1 2.9Å; E287-R350 IonicContact OE2-NH1 3.68Å
288	K	43.5	Very low	39.7	Very low	119 Å²	119	97.7 Å²	97.7	52%	0.517	47%	0.473	S	S	.	.	H	α-helix	trans	-63.1	-42.1	173.6	-79.1	173.7	179.6	171.6	0	112.2	I284 I285 N292	I284-K288 WeakPolarHBondContact O-CB 3.09Å; I284-K288 WeakPolarHBondContact O-CG 3.34Å; I284-K288 PolarHBondContact O-N 3.05Å; I285-K288 CarbonylContact O-C 3.33Å; I285-K288 WeakPolarHBondContact O-CB 3.41Å; I285-K288 PolarHBondContact O-N 3.41Å; I285-K288 VanDerWaalsContact O-N 3.16Å; K288-N292 WeakPolarHBondContact O-CB 3.24Å; K288-N292 PolarHBondContact O-N 2.82Å; K288-N292 PolarHBondContact O-ND2 3.11Å
289	E	43.9	Very low	39	Very low	102 Å²	102	100.2 Å²	100.2	48%	0.477	49%	0.489	S	S	.	.	H	α-helix	trans	-71.2	-42.9	-179.9	-79	-179.6	136.7	0	0	112	I285 F286 N291 N292 E293	I285-E289 WeakPolarHBondContact O-CB 3.17Å; I285-E289 PolarHBondContact O-N 3.44Å; F286-E289 PolarHBondContact O-N 2.71Å; E289-N291 PolarHBondContact O-N 3.45Å; E289-N292 CarbonylContact O-C 3.52Å; E289-N292 PolarHBondContact O-N 2.81Å; E289-E293 WeakPolarHBondContact O-CG 3.42Å; E289-E293 PolarHBondContact O-N 2.86Å
290	I	42.5	Very low	38.4	Very low	59 Å²	59	100.4 Å²	100.4	30%	0.303	50%	0.503	S	S	.	.	H	α-helix	trans	-62.7	-44.1	173.6	-68.5	165.2	0	0	0	110.4	F286 N292 E293 I294	F286-I290 VanDerWaalsContact O-CB 3.27Å; F286-I290 WeakPolarHBondContact O-CB 3.42Å; F286-I290 WeakPolarHBondContact O-CD1 3.35Å; F286-I290 WeakPolarHBondContact O-CG1 3.46Å; F286-I290 PolarHBondContact O-N 2.73Å; I290-N292 VanDerWaalsContact C-N 3.32Å; I290-N292 PolarHBondContact O-N 3.41Å; I290-E293 PolarHBondContact O-N 3.26Å; I290-I294 HydrophobicContact CG2-CD1 3.81Å; I290-I294 WeakPolarHBondContact O-CB 3.27Å; I290-I294 WeakPolarHBondContact O-CD1 3.48Å; I290-I294 WeakPolarHBondContact O-CG1 3.4Å; I290-I294 PolarHBondContact O-N 3.47Å
291	N	40.9	Very low	37.5	Very low	71 Å²	71	103 Å²	103	38%	0.38	52%	0.521	S	S	.	.	H	α-helix	trans	-67.5	-31.2	175.4	-70.4	-35	0	0	0	112.5	E287 E289 T295	E287-N291 WeakPolarHBondContact O-CB 3.19Å; E287-N291 PolarHBondContact O-N 3.44Å; E287-N291 PolarHBondContact O-ND2 2.02Å; E289-N291 PolarHBondContact O-N 3.45Å; N291-T295 PolarHBondContact O-N 3.37Å; N291-T295 VanDerWaalsContact O-N 3.07Å; N291-T295 PolarHBondContact O-OG1 3.24Å
292	N	40.6	Very low	36.7	Very low	68 Å²	68	104.9 Å²	104.9	36%	0.364	53%	0.53	S	S	.	.	H	α-helix	trans	-71.9	-35.1	172.5	-77.5	-32.2	0	0	0	112.4	K288 E289 I290 T295 R296	K288-N292 WeakPolarHBondContact O-CB 3.24Å; K288-N292 PolarHBondContact O-N 2.82Å; K288-N292 PolarHBondContact O-ND2 3.11Å; E289-N292 CarbonylContact O-C 3.52Å; E289-N292 PolarHBondContact O-N 2.81Å; I290-N292 VanDerWaalsContact C-N 3.32Å; I290-N292 PolarHBondContact O-N 3.41Å; N292-T295 WeakPolarHBondContact CA-OG1 3.4Å; N292-T295 PolarHBondContact O-OG1 2.96Å; N292-R296 VanDerWaalsContact O-CB 3.24Å; N292-R296 WeakPolarHBondContact O-CB 3.33Å; N292-R296 WeakPolarHBondContact O-CG 3.47Å; N292-R296 PolarHBondContact O-N 3.25Å
293	E	36.9	Very low	36.2	Very low	140 Å²	140	110 Å²	110	65%	0.654	55%	0.545	S	S	*	.	H	α-helix	trans	-70.8	-38.9	173	-74.3	-175.7	157.3	0	0	111.3	E289 I290 T295 R296	E289-E293 WeakPolarHBondContact O-CG 3.42Å; E289-E293 PolarHBondContact O-N 2.86Å; I290-E293 PolarHBondContact O-N 3.26Å; E293-T295 VanDerWaalsContact C-N 3.29Å; E293-T295 PolarHBondContact O-N 3.18Å; E293-R296 CarbonylContact O-C 3.53Å; E293-R296 PolarHBondContact O-N 3.05Å
294	I	37.7	Very low	35.8	Very low	82 Å²	82	118.4 Å²	118.4	42%	0.421	57%	0.573	S	S	.	*	H	α-helix	trans	-62.5	-35.6	173.8	-70.6	164.8	0	0	0	111.8	I290 N297 H322	I290-I294 HydrophobicContact CG2-CD1 3.81Å; I290-I294 WeakPolarHBondContact O-CB 3.27Å; I290-I294 WeakPolarHBondContact O-CD1 3.48Å; I290-I294 WeakPolarHBondContact O-CG1 3.4Å; I290-I294 PolarHBondContact O-N 3.47Å; I294-N297 PolarHBondContact O-ND2 3.28Å; I294-H322 HydrophobicContact CD1-CB 4.39Å
295	T	37.7	Very low	35	Very low	109 Å²	109	125.6 Å²	125.6	67%	0.669	59%	0.594	S	S	*	*	H	α-helix	trans	-84.5	-23.8	176.7	45.7	0	0	0	0	113.6	N291 N292 E293 N297	N291-T295 PolarHBondContact O-N 3.37Å; N291-T295 VanDerWaalsContact O-N 3.07Å; N291-T295 PolarHBondContact O-OG1 3.24Å; N292-T295 WeakPolarHBondContact CA-OG1 3.4Å; N292-T295 PolarHBondContact O-OG1 2.96Å; E293-T295 VanDerWaalsContact C-N 3.29Å; E293-T295 PolarHBondContact O-N 3.18Å; T295-N297 VanDerWaalsContact C-N 3.33Å; T295-N297 PolarHBondContact O-N 3.2Å
296	R	33.5	Very low	34.5	Very low	175 Å²	175	130 Å²	130	66%	0.66	62%	0.619	S	S	*	*			trans	-93.1	50	172.3	-64.9	174.6	-162.9	160.5	6.5	112.2	N292 E293 E298	N292-R296 VanDerWaalsContact O-CB 3.24Å; N292-R296 WeakPolarHBondContact O-CB 3.33Å; N292-R296 WeakPolarHBondContact O-CG 3.47Å; N292-R296 PolarHBondContact O-N 3.25Å; E293-R296 CarbonylContact O-C 3.53Å; E293-R296 PolarHBondContact O-N 3.05Å; R296-E298 PolarHBondContact O-N 3.13Å
297	N	30.6	Very low	33.7	Very low	132 Å²	132	131.9 Å²	131.9	71%	0.706	63%	0.634	S	S	*	*			trans	-72.6	55.3	169.8	-91.2	-56.2	0	0	0	112.1	I294 T295	I294-N297 PolarHBondContact O-ND2 3.28Å; T295-N297 VanDerWaalsContact C-N 3.33Å; T295-N297 PolarHBondContact O-N 3.2Å
298	E	30.6	Very low	33.3	Very low	173 Å²	173	137.1 Å²	137.1	81%	0.808	66%	0.663	S	S	*	*			trans	-110.5	106.2	158.4	-72.9	-170.3	164.3	0	0	107.2	R296 P300	R296-E298 PolarHBondContact O-N 3.13Å; E298-P300 WeakPolarHBondContact O-CD 3.45Å
299	I	28.2	Very low	32.6	Very low	137 Å²	137	138.5 Å²	138.5	70%	0.703	68%	0.676	S	S	*	*			trans	-64.1	119.8	-168.1	-57.2	158.5	0	0	0	111.2	T301	I299-T301 VanDerWaalsContact C-N 3.26Å; I299-T301 HydrophobicContact CG2-CG2 3.83Å; I299-T301 PolarHBondContact O-N 3.32Å
300	P	26.2	Very low	32	Very low	125 Å²	125	141 Å²	141	81%	0.812	69%	0.693	S	S	*	*			trans	-78.5	76.2	166.9	-12.5	31.4	0	0	0	110.2	E298 E302	E298-P300 WeakPolarHBondContact O-CD 3.45Å; P300-E302 VanDerWaalsContact C-N 3.34Å; P300-E302 PolarHBondContact O-N 3.49Å
301	T	24.9	Very low	31.4	Very low	124 Å²	124	142.9 Å²	142.9	76%	0.761	71%	0.712	S	S	*	*			trans	-70.3	85.1	171	25	0	0	0	0	110.9	I299	I299-T301 VanDerWaalsContact C-N 3.26Å; I299-T301 HydrophobicContact CG2-CG2 3.83Å; I299-T301 PolarHBondContact O-N 3.32Å
302	E	26.8	Very low	30.8	Very low	154 Å²	154	144.9 Å²	144.9	72%	0.72	73%	0.731	S	S	*	*			trans	-137.7	141.3	165.7	-94	-169	177.7	0	0	111.8	P300	P300-E302 VanDerWaalsContact C-N 3.34Å; P300-E302 PolarHBondContact O-N 3.49Å
303	Y	27.3	Very low	30.1	Very low	194 Å²	194	147.9 Å²	147.9	76%	0.761	75%	0.747	S	S	*	*	S	Bend	trans	66.6	76.5	179.7	-54.9	-83.1	0	0	0	117.3
304	Y	30.7	Very low	29.8	Very low	214 Å²	214	150.4 Å²	150.4	84%	0.839	76%	0.759	S	S	*	*				-167	102.1	98.7	-89.2	-72.4	0	0	0	108.3
305	R	23.8	Very low	29.6	Very low	236 Å²	236	152.9 Å²	152.9	89%	0.891	77%	0.767	S	S	*	*			trans	-90.4	107.5	164.7	-78.5	-173.1	-174.7	168.7	1.8	107.8
306	D	31.4	Very low	29.3	Very low	156 Å²	156	153.4 Å²	153.4	83%	0.834	77%	0.77	S	S	*	*			trans	-114.3	126.4	145.1	-84.9	-46.6	0	0	0	107.4
307	N	27.4	Very low	29.3	Very low	144 Å²	144	153.7 Å²	153.7	77%	0.77	78%	0.776	S	S	*	*			trans	-75.1	125.9	174.2	-62.9	-45.4	0	0	0	107.7
308	D	33.7	Very low	29.3	Very low	165 Å²	165	151.4 Å²	151.4	88%	0.882	77%	0.768	S	S	*	*			trans	-154.6	126.5	137.7	-101.7	-31	0	0	0	110.7
309	N	29.5	Very low	29.3	Very low	148 Å²	148	152.1 Å²	152.1	79%	0.791	77%	0.771	S	S	*	*			trans	-79.8	121.6	176.7	-64.5	-58.8	0	0	0	108.9
310	N	30.7	Very low	29.8	Very low	155 Å²	155	149.8 Å²	149.8	83%	0.829	75%	0.754	S	S	*	*				160.7	144	127.6	-81.1	-39.3	0	0	0	114.4
311	S	30	Very low	30	Very low	99 Å²	99	147 Å²	147	69%	0.692	74%	0.737	S	S	*	*			trans	68.6	95.4	164.1	71	0	0	0	0	119.3	N313	S311-N313 PolarHBondContact O-N 2.82Å
312	S	27.6	Very low	30.6	Very low	112 Å²	112	146.6 Å²	146.6	78%	0.783	73%	0.726	S	S	*	*			trans	15.2	100.9	133.7	58.3	0	0	0	0	118.1
313	N	27.8	Very low	30.7	Very low	132 Å²	132	144.2 Å²	144.2	71%	0.706	73%	0.726	S	S	*	*			trans	-161.9	81.4	153.2	-99	-61.2	0	0	0	109.3	S311 K315	S311-N313 PolarHBondContact O-N 2.82Å; N313-K315 PolarHBondContact O-N 3.43Å
314	E	29.6	Very low	31	Very low	193 Å²	193	137.4 Å²	137.4	90%	0.902	71%	0.706	S	S	*	*			trans	-63.4	97.9	171.9	-72.2	-175	128.1	0	0	110	V316	E314-V316 VanDerWaalsContact C-N 3.35Å; E314-V316 PolarHBondContact O-N 3.05Å; E314-V316 VanDerWaalsContact O-N 3.07Å
315	K	32.9	Very low	31.2	Very low	134 Å²	134	128.7 Å²	128.7	58%	0.583	68%	0.675	S	S	*	*			trans	-77.7	88.5	169.2	-65.6	-176.3	-174	177	0	108	N313 K317	N313-K315 PolarHBondContact O-N 3.43Å; K315-K317 PolarHBondContact O-N 2.9Å
316	V	33	Very low	31.9	Very low	120 Å²	120	121.3 Å²	121.3	73%	0.727	65%	0.653	S	S	*	*			trans	-50.6	122.5	177.2	179.6	0	0	0	0	110.2	E314	E314-V316 VanDerWaalsContact C-N 3.35Å; E314-V316 PolarHBondContact O-N 3.05Å; E314-V316 VanDerWaalsContact O-N 3.07Å
317	K	31.9	Very low	31.9	Very low	181 Å²	181	118.9 Å²	118.9	79%	0.787	65%	0.648	S	S	*	*			trans	-75.7	138	168.6	-70.1	-179.4	178.5	178.8	0	108.6	K315 H319	K315-K317 PolarHBondContact O-N 2.9Å; K317-H319 PolarHBondContact O-N 3.44Å
318	P	30.8	Very low	32.8	Very low	83 Å²	83	113 Å²	113	54%	0.539	62%	0.616	S	S	.	*			trans	-62.5	112.7	173.7	25.7	-33	0	0	0	109.7	Y320	P318-Y320 HydrophobicContact CB-CE2 4.34Å; P318-Y320 HydrophobicContact CG-CE2 4.14Å; P318-Y320 PolarHBondContact O-N 3.41Å; P318-Y320 VanDerWaalsContact O-N 3.13Å
319	H	31.8	Very low	33.3	Very low	189 Å²	189	107.6 Å²	107.6	88%	0.875	59%	0.591	S	S	*	*			trans	-82.7	92	-177.2	-166.9	21.6	0	0	0	109.8	K317 S321	K317-H319 PolarHBondContact O-N 3.44Å; H319-S321 PolarHBondContact O-N 2.92Å
320	Y	37.8	Very low	34.3	Very low	87 Å²	87	109.3 Å²	109.3	34%	0.341	59%	0.586	S	S	.	*			trans	-68.6	120.3	169.1	-60	-74.4	0	0	0	109.2	P318 H322 L522	P318-Y320 HydrophobicContact CB-CE2 4.34Å; P318-Y320 HydrophobicContact CG-CE2 4.14Å; P318-Y320 PolarHBondContact O-N 3.41Å; P318-Y320 VanDerWaalsContact O-N 3.13Å; Y320-H322 PolarHBondContact O-N 3.48Å; Y320-L522 HydrophobicContact CD1-CD1 4.19Å; Y320-L522 HydrophobicContact CE1-CD1 4.19Å
321	S	30.9	Very low	35.3	Very low	67 Å²	67	102.3 Å²	102.3	47%	0.469	55%	0.549	S	S	.	.			trans	-67.4	115.4	172.2	56.6	0	0	0	0	109.2	H319 C323	H319-S321 PolarHBondContact O-N 2.92Å; S321-C323 PolarHBondContact O-N 3.27Å
322	H	36.6	Very low	36.5	Very low	115 Å²	115	98.6 Å²	98.6	53%	0.532	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-60.5	2.4	178.7	-90.8	-113.5	0	0	0	115	I294 Y320	I294-H322 HydrophobicContact CD1-CB 4.39Å; Y320-H322 PolarHBondContact O-N 3.48Å
323	C	29.4	Very low	37.7	Very low	105 Å²	105	93.9 Å²	93.9	71%	0.709	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-93.7	1.1	-164.5	-127.9	0	0	0	0	116	S321	S321-C323 PolarHBondContact O-N 3.27Å
324	S	33.3	Very low	38.9	Very low	50 Å²	50	89.3 Å²	89.3	35%	0.35	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-100.9	9.4	178.5	63.9	0	0	0	0	114.6
325	V	36.4	Very low	39.9	Very low	31 Å²	31	86.5 Å²	86.5	19%	0.188	45%	0.454	C	S	.	.	S	Bend	trans	-89.5	-11	177.6	-175.6	0	0	0	0	111.9	I354 L357	V325-I354 HydrophobicContact CG1-CG1 4.5Å; V325-L357 HydrophobicContact CG2-CD1 3.81Å
326	I	36.9	Very low	40.9	Very low	81 Å²	81	84.8 Å²	84.8	42%	0.415	45%	0.447	S	S	.	.	S	Bend	trans	-103.3	118.7	-171.9	-57	174	0	0	0	108.7
327	S	33.2	Very low	41.5	Very low	105 Å²	105	88.7 Å²	88.7	73%	0.734	46%	0.457	S	S	*	.			trans	60.4	73.5	-172.9	64	0	0	0	0	116	P329	S327-P329 VanDerWaalsContact O-CD 3.32Å; S327-P329 WeakPolarHBondContact O-CD 3.02Å
328	L	45.5	Very low	42	Very low	20 Å²	20	82.6 Å²	82.6	11%	0.105	43%	0.433	C	S	.	.			trans	-64.7	119.8	149.8	-73.9	162.7	0	0	0	107.5	F349 L575	L328-F349 HydrophobicContact CD1-CD1 3.61Å; L328-F349 HydrophobicContact CD1-CE1 4.07Å; L328-F349 HydrophobicContact CD2-CE1 4.26Å; L328-L575 WeakPolarHBondContact CD2-O 3.49Å
329	P	44	Very low	42.5	Very low	53 Å²	53	81.1 Å²	81.1	34%	0.344	43%	0.432	S	S	.	.			trans	-62.9	154.2	175	-19.4	32.4	0	0	0	110.2	S327 S331 L575	S327-P329 VanDerWaalsContact O-CD 3.32Å; S327-P329 WeakPolarHBondContact O-CD 3.02Å; P329-S331 PolarHBondContact O-N 3.14Å; P329-L575 HydrophobicContact CG-CB 4.06Å; P329-L575 HydrophobicContact CG-CD1 4.32Å; P329-L575 HydrophobicContact CG-CD2 3.83Å; P329-L575 HydrophobicContact CG-CG 4.29Å
330	R	50.8	Low	42.9	Very low	184 Å²	184	78 Å²	78	69%	0.694	42%	0.418	S	S	*	.			trans	-53.4	115.2	161.9	-72.4	-175	177.5	179.1	-0.1	107.7	D334 E335	R330-D334 HydrophobicContact CB-CB 4.34Å; R330-E335 HydrophobicContact CB-CG 4.23Å
331	S	52.4	Low	43.1	Very low	7 Å²	7	78.3 Å²	78.3	5%	0.049	42%	0.422	C	S	.	.			trans	-82.3	165.3	175.5	67.6	0	0	0	0	109.4	P329 A333 D334 E335 S576	P329-S331 PolarHBondContact O-N 3.14Å; S331-A333 PolarHBondContact O-N 3.47Å; S331-A333 VanDerWaalsContact OG-CB 3.27Å; S331-A333 WeakPolarHBondContact OG-CB 3.25Å; S331-A333 PolarHBondContact OG-N 3Å; S331-D334 WeakPolarHBondContact CB-OD2 3.4Å; S331-D334 PolarHBondContact N-OD2 3.34Å; S331-D334 WeakPolarHBondContact O-CA 3.41Å; S331-D334 PolarHBondContact O-N 2.96Å; S331-D334 VanDerWaalsContact OG-CG 3.29Å; S331-D334 PolarHBondContact OG-N 2.98Å; S331-D334 PolarHBondContact OG-OD2 3.23Å; S331-E335 PolarHBondContact O-N 3.28Å; S331-E335 VanDerWaalsContact O-N 3.12Å; S331-S576 WeakPolarHBondContact CB-OG 3.47Å
332	A	53.9	Low	44	Very low	22 Å²	22	78 Å²	78	18%	0.182	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-10.1	169.4	0	0	0	0	0	113.7	K336 N491	A332-K336 WeakPolarHBondContact O-CG 3.46Å; A332-N491 WeakPolarHBondContact CB-ND2 3.49Å
333	A	52.5	Low	44.4	Very low	13 Å²	13	79.7 Å²	79.7	11%	0.107	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-36.1	169	0	0	0	0	0	112.6	S331 A488	S331-A333 PolarHBondContact O-N 3.47Å; S331-A333 VanDerWaalsContact OG-CB 3.27Å; S331-A333 WeakPolarHBondContact OG-CB 3.25Å; S331-A333 PolarHBondContact OG-N 3Å; A333-A488 HydrophobicContact CB-CB 3.4Å; A333-A488 VanDerWaalsContact CB-CB 3.4Å
334	D	53.4	Low	45.9	Very low	35 Å²	35	75.5 Å²	75.5	19%	0.187	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-21.5	-177.3	-49.5	-54.1	0	0	0	111.7	R330 S331 H345 E346 R485	R330-D334 HydrophobicContact CB-CB 4.34Å; S331-D334 WeakPolarHBondContact CB-OD2 3.4Å; S331-D334 PolarHBondContact N-OD2 3.34Å; S331-D334 WeakPolarHBondContact O-CA 3.41Å; S331-D334 PolarHBondContact O-N 2.96Å; S331-D334 VanDerWaalsContact OG-CG 3.29Å; S331-D334 PolarHBondContact OG-N 2.98Å; S331-D334 PolarHBondContact OG-OD2 3.23Å; D334-H345 IonicContact OD1-CE1 3.82Å; D334-H345 IonicContact OD1-CG 3.17Å; D334-H345 IonicContact OD1-ND1 3.53Å; D334-H345 PolarHBondContact OD1-ND1 3.1Å; D334-E346 PolarHBondContact OD1-N 2.99Å; D334-R485 IonicContact OD1-CZ 3.32Å; D334-R485 IonicContact OD1-NH1 2.71Å; D334-R485 PolarHBondContact OD1-NH1 3.39Å; D334-R485 IonicContact OD2-CZ 3.53Å; D334-R485 VanDerWaalsContact OD2-CZ 3.28Å; D334-R485 IonicContact OD2-NH1 2.62Å; D334-R485 PolarHBondContact OD2-NH1 2.91Å; D334-R485 IonicContact OD2-NH2 2.82Å; D334-R485 PolarHBondContact OD2-NH2 3.39Å
335	E	51.8	Low	47.5	Very low	134 Å²	134	75.1 Å²	75.1	63%	0.626	39%	0.388	S	S	*	.	S	Bend	trans	-88.2	-14.5	178.3	-65.5	-177.8	154.2	0	0	114.6	R330 S331 H337	R330-E335 HydrophobicContact CB-CG 4.23Å; S331-E335 PolarHBondContact O-N 3.28Å; S331-E335 VanDerWaalsContact O-N 3.12Å; E335-H337 PolarHBondContact O-N 2.83Å
336	K	52.8	Low	49.1	Very low	98 Å²	98	77 Å²	77	43%	0.426	39%	0.394	S	S	.	.	S	Bend	trans	-74.1	128.2	177.9	-80.7	173.7	-179.5	171.6	0	110.6	A332 L338	A332-K336 WeakPolarHBondContact O-CG 3.46Å; K336-L338 HydrophobicContact CB-CD1 3.85Å; K336-L338 HydrophobicContact CD-CD1 4.33Å; K336-L338 PolarHBondContact O-N 3.49Å
337	H	45.1	Very low	50.6	Low	203 Å²	203	76.6 Å²	76.6	94%	0.94	39%	0.388	S	S	*	.			trans	-65.4	62	171.9	-89.9	-77.4	0	0	0	112.9	E335 G339	E335-H337 PolarHBondContact O-N 2.83Å; H337-G339 PolarHBondContact O-N 3.38Å
338	L	43	Very low	52.7	Low	53 Å²	53	75.5 Å²	75.5	28%	0.277	37%	0.373	S	S	.	.			trans	-89.6	31.6	-174.3	-123.5	103.4	0	0	0	113.3	T155 K336 H342	T155-L338 HydrophobicContact CG2-CD1 4.19Å; T155-L338 HydrophobicContact CG2-CD2 4.38Å; K336-L338 HydrophobicContact CB-CD1 3.85Å; K336-L338 HydrophobicContact CD-CD1 4.33Å; K336-L338 PolarHBondContact O-N 3.49Å; L338-H342 HydrophobicContact CB-CB 4.06Å; L338-H342 PolarHBondContact O-CD2 3.45Å
339	G	41.4	Very low	54.4	Low	51 Å²	51	74.7 Å²	74.7	53%	0.526	37%	0.369	S	S	.	.			trans	72.4	173.9	-177.7	0	0	0	0	0	114.7	H337 F341 H342	H337-G339 PolarHBondContact O-N 3.38Å; G339-F341 PolarHBondContact O-N 2.89Å; G339-H342 PolarHBondContact O-N 3.16Å
340	E	40.4	Very low	56	Low	123 Å²	123	74.8 Å²	74.8	58%	0.575	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-24.5	-170.6	-63.1	178.1	128	0	0	115.3	H342	E340-H342 VanDerWaalsContact C-N 3.33Å; E340-H342 PolarHBondContact O-N 3.24Å
341	F	42.3	Very low	57.6	Low	95 Å²	95	70.3 Å²	70.3	42%	0.417	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-17.4	-175.6	-67.9	-83.9	0	0	0	114.5	V267 T271 G339	V267-F341 HydrophobicContact CG1-CE1 3.74Å; V267-F341 HydrophobicContact CG1-CZ 3.61Å; T271-F341 HydrophobicContact CG2-CE1 4.5Å; T271-F341 WeakPolarHBondContact OG1-CE1 3.36Å; G339-F341 PolarHBondContact O-N 2.89Å
342	H	48.7	Very low	59.3	Low	61 Å²	61	71.3 Å²	71.3	28%	0.282	35%	0.35	S	S	.	.	S	Bend	trans	-97.4	-11.4	-170.1	-74.7	-99	0	0	0	114.8	L338 G339 E340 N344 H345	L338-H342 HydrophobicContact CB-CB 4.06Å; L338-H342 PolarHBondContact O-CD2 3.45Å; G339-H342 PolarHBondContact O-N 3.16Å; E340-H342 VanDerWaalsContact C-N 3.33Å; E340-H342 PolarHBondContact O-N 3.24Å; H342-N344 PolarHBondContact O-N 3.42Å; H342-H345 WeakPolarHBondContact O-CB 3.48Å; H342-H345 PolarHBondContact O-N 3.39Å; H342-H345 VanDerWaalsContact O-N 3.09Å
343	L	46.1	Very low	60.7	Low	150 Å²	150	70.8 Å²	70.8	79%	0.785	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-12.1	177.5	-72.7	165.4	0	0	0	114.7
344	N	61.1	Low	62.2	Low	17 Å²	17	72.7 Å²	72.7	9%	0.091	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	4.6	179.9	-70.9	-52.2	0	0	0	114.1	T275 H342 E346 R347 I348	T275-N344 PolarHBondContact OG1-ND2 3.04Å; H342-N344 PolarHBondContact O-N 3.42Å; N344-E346 PolarHBondContact O-N 3.41Å; N344-R347 WeakPolarHBondContact O-CB 3.27Å; N344-R347 PolarHBondContact O-N 3.26Å; N344-R347 VanDerWaalsContact O-N 3.09Å; N344-I348 HydrophobicContact CB-CD1 4.16Å; N344-I348 HydrophobicContact CB-CG1 4.42Å; N344-I348 WeakPolarHBondContact O-CG1 3.47Å; N344-I348 PolarHBondContact O-N 2.95Å
345	H	66.9	Low	63.8	Low	41 Å²	41	72.5 Å²	72.5	19%	0.19	35%	0.35	C	S	.	.	H	α-helix	trans	-61.5	-43.3	-172.8	178.8	-114.3	0	0	0	113.2	D334 H342 R347 I348 F349 R485	D334-H345 IonicContact OD1-CE1 3.82Å; D334-H345 IonicContact OD1-CG 3.17Å; D334-H345 IonicContact OD1-ND1 3.53Å; D334-H345 PolarHBondContact OD1-ND1 3.1Å; H342-H345 WeakPolarHBondContact O-CB 3.48Å; H342-H345 PolarHBondContact O-N 3.39Å; H342-H345 VanDerWaalsContact O-N 3.09Å; H345-R347 PolarHBondContact O-N 3.25Å; H345-I348 PolarHBondContact O-N 2.87Å; H345-F349 VanDerWaalsContact O-CB 3.31Å; H345-F349 WeakPolarHBondContact O-CB 3.46Å; H345-F349 PolarHBondContact O-N 3.22Å; H345-R485 PolarHBondContact CE1-NH1 3.33Å; H345-R485 VanDerWaalsContact CE1-NH1 3.34Å; H345-R485 PolarHBondContact ND1-NH1 2.88Å
346	E	68.3	Low	65.6	Low	70 Å²	70	66.4 Å²	66.4	33%	0.327	32%	0.322	S	S	.	.	H	α-helix	trans	-56	-47	170.2	-171	-160.4	130.5	0	0	112.1	D334 N344 F349 R350	D334-E346 PolarHBondContact OD1-N 2.99Å; N344-E346 PolarHBondContact O-N 3.41Å; E346-F349 PolarHBondContact O-N 2.91Å; E346-R350 PolarHBondContact O-N 3.4Å
347	R	69.1	Low	67.3	Low	73 Å²	73	64 Å²	64	28%	0.275	31%	0.313	S	S	.	.	H	α-helix	trans	-65.2	-44.2	-179.2	-66.1	-179	174.2	-173.7	-3.7	112.5	F278 N344 H345 F349 R350 Y351	F278-R347 PolarHBondContact O-NH1 3Å; N344-R347 WeakPolarHBondContact O-CB 3.27Å; N344-R347 PolarHBondContact O-N 3.26Å; N344-R347 VanDerWaalsContact O-N 3.09Å; H345-R347 PolarHBondContact O-N 3.25Å; R347-F349 VanDerWaalsContact C-N 3.32Å; R347-R350 PolarHBondContact O-N 3.36Å; R347-Y351 WeakPolarHBondContact O-CB 3.47Å; R347-Y351 PolarHBondContact O-N 3.14Å
348	I	78.1	Confident	69.3	Low	82 Å²	82	58 Å²	58	42%	0.421	28%	0.284	S	S	.	.	H	α-helix	trans	-61.7	-43.9	176.1	-68.2	164.3	0	0	0	109.6	N344 H345 Y351 L352	N344-I348 HydrophobicContact CB-CD1 4.16Å; N344-I348 HydrophobicContact CB-CG1 4.42Å; N344-I348 WeakPolarHBondContact O-CG1 3.47Å; N344-I348 PolarHBondContact O-N 2.95Å; H345-I348 PolarHBondContact O-N 2.87Å; I348-Y351 WeakPolarHBondContact O-CB 3.43Å; I348-Y351 PolarHBondContact O-N 3.2Å; I348-L352 HydrophobicContact CG2-CD1 4.14Å; I348-L352 WeakPolarHBondContact O-CG 3.42Å; I348-L352 PolarHBondContact O-N 3.02Å
349	F	79.5	Confident	71.5	Confident	4 Å²	4	56 Å²	56	2%	0.018	28%	0.276	C	S	.	.	H	α-helix	trans	-68.7	-39.5	-179.7	-167.4	-98.7	0	0	0	112.5	L328 H345 E346 R347 L352 F353 F482 R485 S576 M577	L328-F349 HydrophobicContact CD1-CD1 3.61Å; L328-F349 HydrophobicContact CD1-CE1 4.07Å; L328-F349 HydrophobicContact CD2-CE1 4.26Å; H345-F349 VanDerWaalsContact O-CB 3.31Å; H345-F349 WeakPolarHBondContact O-CB 3.46Å; H345-F349 PolarHBondContact O-N 3.22Å; E346-F349 PolarHBondContact O-N 2.91Å; R347-F349 VanDerWaalsContact C-N 3.32Å; F349-L352 PolarHBondContact O-N 3.01Å; F349-F353 AromaticContact CD1-CD2 3.96Å; F349-F353 HydrophobicContact CD1-CD2 3.96Å; F349-F353 HydrophobicContact CD1-CE2 4.26Å; F349-F353 AromaticContact CE1-CD2 3.58Å; F349-F353 HydrophobicContact CE1-CD2 3.58Å; F349-F353 AromaticContact CE1-CE2 3.41Å; F349-F353 HydrophobicContact CE1-CE2 3.41Å; F349-F353 VanDerWaalsContact CE1-CE2 3.41Å; F349-F353 HydrophobicContact CZ-CD2 4.07Å; F349-F353 AromaticContact CZ-CE2 3.68Å; F349-F353 HydrophobicContact CZ-CE2 3.68Å; F349-F353 PolarHBondContact O-N 2.92Å; F349-F482 HydrophobicContact CD2-CD1 4.17Å; F349-F482 HydrophobicContact CE2-CB 4.26Å; F349-F482 AromaticContact CE2-CD1 3.33Å; F349-F482 HydrophobicContact CE2-CD1 3.33Å; F349-F482 HydrophobicContact CE2-CE1 4.03Å; F349-F482 HydrophobicContact CE2-CG 4.16Å; F349-F482 AromaticContact CZ-CD1 3.65Å; F349-F482 HydrophobicContact CZ-CD1 3.65Å; F349-F482 HydrophobicContact CZ-CE1 4.25Å; F349-R485 HydrophobicContact CD2-CB 4.15Å; F349-R485 HydrophobicContact CD2-CG 4.34Å; F349-R485 HydrophobicContact CE2-CB 3.91Å; F349-R485 VanDerWaalsContact CE2-CD 3.46Å; F349-R485 HydrophobicContact CE2-CG 4.14Å; F349-R485 HydrophobicContact CZ-CG 4.37Å; F349-S576 WeakPolarHBondContact CE1-O 3.45Å; F349-M577 HydrophobicContact CZ-SD 4.42Å
350	R	79	Confident	73.8	Confident	54 Å²	54	54.7 Å²	54.7	20%	0.204	26%	0.259	C	S	.	.	H	α-helix	trans	-60.9	-43.6	170.4	-175.8	170.1	64.8	160.7	-6.6	111.7	P283 E287 E346 R347 F353 I354	P283-R350 VanDerWaalsContact CB-NH2 3.3Å; E287-R350 IonicContact OE1-NH1 2.75Å; E287-R350 PolarHBondContact OE1-NH1 2.9Å; E287-R350 IonicContact OE2-NH1 3.68Å; E346-R350 PolarHBondContact O-N 3.4Å; R347-R350 PolarHBondContact O-N 3.36Å; R350-F353 PolarHBondContact O-N 2.96Å; R350-I354 HydrophobicContact CG-CD1 4.15Å; R350-I354 WeakPolarHBondContact O-CG1 3.4Å; R350-I354 PolarHBondContact O-N 3.31Å
351	Y	84.1	Confident	76.1	Confident	90 Å²	90	53 Å²	53	35%	0.353	26%	0.261	S	S	.	.	H	α-helix	trans	-60.2	-45.7	174.4	171.3	-94.2	0	0	0	112	R347 I348 F353 I354 Q355	R347-Y351 WeakPolarHBondContact O-CB 3.47Å; R347-Y351 PolarHBondContact O-N 3.14Å; I348-Y351 WeakPolarHBondContact O-CB 3.43Å; I348-Y351 PolarHBondContact O-N 3.2Å; Y351-F353 VanDerWaalsContact C-N 3.33Å; Y351-F353 PolarHBondContact O-N 3.39Å; Y351-I354 PolarHBondContact O-N 3.03Å; Y351-Q355 HydrophobicContact CD1-CG 4.28Å; Y351-Q355 HydrophobicContact CD2-CG 4.43Å; Y351-Q355 HydrophobicContact CE1-CG 3.79Å; Y351-Q355 HydrophobicContact CE2-CG 3.97Å; Y351-Q355 VanDerWaalsContact CE2-NE2 3.25Å; Y351-Q355 WeakPolarHBondContact O-CG 3.3Å; Y351-Q355 PolarHBondContact O-N 2.92Å; Y351-Q355 PolarHBondContact OH-NE2 2.87Å
352	L	87	Confident	78.3	Confident	28 Å²	28	51.8 Å²	51.8	15%	0.147	25%	0.254	C	S	.	.	H	α-helix	trans	-59.9	-41.6	175.8	-73.4	170.7	0	0	0	111.7	I348 F349 Q355 D356 P477 H481 F482	I348-L352 HydrophobicContact CG2-CD1 4.14Å; I348-L352 WeakPolarHBondContact O-CG 3.42Å; I348-L352 PolarHBondContact O-N 3.02Å; F349-L352 PolarHBondContact O-N 3.01Å; L352-Q355 PolarHBondContact O-N 3.3Å; L352-D356 VanDerWaalsContact O-CB 3.31Å; L352-D356 WeakPolarHBondContact O-CB 3.27Å; L352-D356 PolarHBondContact O-N 2.88Å; L352-P477 HydrophobicContact CD2-CB 4.23Å; L352-P477 HydrophobicContact CD2-CG 4.22Å; L352-P477 WeakPolarHBondContact O-CG 3.49Å; L352-H481 HydrophobicContact CD1-CB 4.02Å; L352-F482 HydrophobicContact CB-CE1 4.36Å; L352-F482 HydrophobicContact CB-CZ 4.08Å
353	F	84.4	Confident	80.3	Confident	11 Å²	11	52.3 Å²	52.3	5%	0.048	25%	0.254	C	S	.	.	H	α-helix	trans	-61.3	-43.6	175	-111.9	-77.8	0	0	0	112.8	F349 R350 Y351 D356 L357 F482 S524 M577	F349-F353 AromaticContact CD1-CD2 3.96Å; F349-F353 HydrophobicContact CD1-CD2 3.96Å; F349-F353 HydrophobicContact CD1-CE2 4.26Å; F349-F353 AromaticContact CE1-CD2 3.58Å; F349-F353 HydrophobicContact CE1-CD2 3.58Å; F349-F353 AromaticContact CE1-CE2 3.41Å; F349-F353 HydrophobicContact CE1-CE2 3.41Å; F349-F353 VanDerWaalsContact CE1-CE2 3.41Å; F349-F353 HydrophobicContact CZ-CD2 4.07Å; F349-F353 AromaticContact CZ-CE2 3.68Å; F349-F353 HydrophobicContact CZ-CE2 3.68Å; F349-F353 PolarHBondContact O-N 2.92Å; R350-F353 PolarHBondContact O-N 2.96Å; Y351-F353 VanDerWaalsContact C-N 3.33Å; Y351-F353 PolarHBondContact O-N 3.39Å; F353-D356 PolarHBondContact O-N 2.96Å; F353-L357 WeakPolarHBondContact O-CG 3.4Å; F353-L357 PolarHBondContact O-N 3.47Å; F353-F482 AromaticContact CD2-CE1 3.85Å; F353-F482 HydrophobicContact CD2-CE1 3.85Å; F353-F482 HydrophobicContact CE2-CD1 4.31Å; F353-F482 AromaticContact CE2-CE1 3.99Å; F353-F482 HydrophobicContact CE2-CE1 3.99Å; F353-F482 HydrophobicContact CG-CE1 4.46Å; F353-S524 WeakPolarHBondContact CE1-OG 3.46Å; F353-M577 WeakPolarHBondContact CE2-O 3.36Å; F353-M577 VanDerWaalsContact CZ-O 3.31Å; F353-M577 WeakPolarHBondContact CZ-O 3.45Å
354	I	83.4	Confident	82.3	Confident	54 Å²	54	49.2 Å²	49.2	28%	0.277	24%	0.236	S	C	.	.	H	α-helix	trans	-63.7	-42.9	176.8	-67.3	165.4	0	0	0	110.7	V325 R350 Y351 D356 K358	V325-I354 HydrophobicContact CG1-CG1 4.5Å; R350-I354 HydrophobicContact CG-CD1 4.15Å; R350-I354 WeakPolarHBondContact O-CG1 3.4Å; R350-I354 PolarHBondContact O-N 3.31Å; Y351-I354 PolarHBondContact O-N 3.03Å; I354-D356 VanDerWaalsContact C-N 3.32Å; I354-D356 PolarHBondContact O-N 3.07Å; I354-K358 WeakPolarHBondContact O-CB 3.28Å; I354-K358 PolarHBondContact O-N 3.19Å
355	Q	88.2	Confident	83.5	Confident	30 Å²	30	51.8 Å²	51.8	14%	0.14	26%	0.259	C	S	.	.	H	α-helix	trans	-68.4	-29.7	176.2	-63.4	-55	-21.3	0	0	112.8	Y351 L352 A359 P477	Y351-Q355 HydrophobicContact CD1-CG 4.28Å; Y351-Q355 HydrophobicContact CD2-CG 4.43Å; Y351-Q355 HydrophobicContact CE1-CG 3.79Å; Y351-Q355 HydrophobicContact CE2-CG 3.97Å; Y351-Q355 VanDerWaalsContact CE2-NE2 3.25Å; Y351-Q355 WeakPolarHBondContact O-CG 3.3Å; Y351-Q355 PolarHBondContact O-N 2.92Å; Y351-Q355 PolarHBondContact OH-NE2 2.87Å; L352-Q355 PolarHBondContact O-N 3.3Å; Q355-A359 WeakPolarHBondContact O-CB 3.35Å; Q355-A359 PolarHBondContact O-N 3.4Å; Q355-P477 HydrophobicContact CB-CG 3.52Å
356	D	89.3	Confident	84.6	Confident	7 Å²	7	53 Å²	53	4%	0.037	27%	0.267	C	S	.	.	H	α-helix	trans	-69.3	-45.8	177.3	-170.4	21.2	0	0	0	110.3	L352 F353 I354 A359 A360 P477 F482 L522 A523 S524	L352-D356 VanDerWaalsContact O-CB 3.31Å; L352-D356 WeakPolarHBondContact O-CB 3.27Å; L352-D356 PolarHBondContact O-N 2.88Å; F353-D356 PolarHBondContact O-N 2.96Å; I354-D356 VanDerWaalsContact C-N 3.32Å; I354-D356 PolarHBondContact O-N 3.07Å; D356-A359 PolarHBondContact O-N 3.25Å; D356-A360 PolarHBondContact O-N 3.32Å; D356-P477 HydrophobicContact CB-CB 4.21Å; D356-P477 HydrophobicContact CB-CG 4.19Å; D356-F482 HydrophobicContact CB-CZ 4.35Å; D356-L522 HydrophobicContact CB-CD2 4.42Å; D356-L522 WeakPolarHBondContact O-CD2 3.32Å; D356-L522 WeakPolarHBondContact OD1-CA 3.43Å; D356-L522 WeakPolarHBondContact OD2-CB 3.27Å; D356-A523 VanDerWaalsContact CG-N 3.29Å; D356-A523 WeakPolarHBondContact OD1-CB 3.21Å; D356-A523 PolarHBondContact OD1-N 3.23Å; D356-A523 PolarHBondContact OD2-N 3.3Å; D356-S524 VanDerWaalsContact OD2-CB 3.31Å; D356-S524 WeakPolarHBondContact OD2-CB 3.47Å; D356-S524 PolarHBondContact OD2-N 2.85Å; D356-S524 PolarHBondContact OD2-OG 3.04Å
357	L	87.7	Confident	85.6	Confident	46 Å²	46	49.8 Å²	49.8	24%	0.241	25%	0.252	C	S	.	.	H	α-helix	trans	-60.1	-46.5	171.6	-69.6	169.7	0	0	0	112.1	V325 F353 A359 A360 S361 L522	V325-L357 HydrophobicContact CG2-CD1 3.81Å; F353-L357 WeakPolarHBondContact O-CG 3.4Å; F353-L357 PolarHBondContact O-N 3.47Å; L357-A359 VanDerWaalsContact C-N 3.32Å; L357-A359 PolarHBondContact O-N 3Å; L357-A360 PolarHBondContact O-N 3.44Å; L357-S361 PolarHBondContact O-N 3Å; L357-L522 HydrophobicContact CD2-CD1 3.91Å; L357-L522 HydrophobicContact CD2-CD2 4.05Å
358	K	87.8	Confident	86.7	Confident	79 Å²	79	46.8 Å²	46.8	34%	0.343	24%	0.241	S	C	.	.	H	α-helix	trans	-62.2	-39.5	175.9	-170.6	-163.7	179	-166.5	0	111.7	I354 S361 Y362 D473	I354-K358 WeakPolarHBondContact O-CB 3.28Å; I354-K358 PolarHBondContact O-N 3.19Å; K358-S361 PolarHBondContact O-N 3.05Å; K358-S361 PolarHBondContact O-OG 3.26Å; K358-Y362 HydrophobicContact CG-CE2 4.27Å; K358-Y362 WeakPolarHBondContact O-CD2 3.27Å; K358-Y362 VanDerWaalsContact O-CE2 3.27Å; K358-Y362 WeakPolarHBondContact O-CE2 3.38Å; K358-D473 IonicContact NZ-OD2 2.95Å; K358-D473 PolarHBondContact NZ-OD2 2.86Å
359	A	88	Confident	87.3	Confident	11 Å²	11	48 Å²	48	9%	0.091	25%	0.246	C	C	.	.	H	α-helix	trans	-62.7	-49	176.7	0	0	0	0	0	110.5	Q355 D356 L357 S361 Q408 W411 I476	Q355-A359 WeakPolarHBondContact O-CB 3.35Å; Q355-A359 PolarHBondContact O-N 3.4Å; D356-A359 PolarHBondContact O-N 3.25Å; L357-A359 VanDerWaalsContact C-N 3.32Å; L357-A359 PolarHBondContact O-N 3Å; A359-S361 VanDerWaalsContact C-N 3.32Å; A359-S361 PolarHBondContact O-N 3.5Å; A359-Q408 VanDerWaalsContact C-NE2 3.32Å; A359-Q408 VanDerWaalsContact CA-NE2 3.33Å; A359-Q408 PolarHBondContact O-NE2 2.91Å; A359-W411 WeakPolarHBondContact O-CZ3 3.44Å; A359-I476 HydrophobicContact CB-CG2 4.24Å
360	A	89.8	Confident	87.8	Confident	22 Å²	22	51.4 Å²	51.4	18%	0.182	26%	0.258	C	S	.	.	H	α-helix	trans	-67.4	-27	179.8	0	0	0	0	0	114	D356 L357 Y362 Y363 L522	D356-A360 PolarHBondContact O-N 3.32Å; L357-A360 PolarHBondContact O-N 3.44Å; A360-Y362 PolarHBondContact O-N 3.34Å; A360-Y363 WeakPolarHBondContact O-CB 3.29Å; A360-Y363 PolarHBondContact O-N 3.06Å; A360-L522 HydrophobicContact CB-CD2 3.6Å
361	S	88.3	Confident	88.4	Confident	87 Å²	87	49.1 Å²	49.1	61%	0.608	25%	0.25	S	C	*	.	H	α-helix	trans	-62.8	-23.4	-178.9	76.6	0	0	0	0	113.9	L357 K358 A359 Y363	L357-S361 PolarHBondContact O-N 3Å; K358-S361 PolarHBondContact O-N 3.05Å; K358-S361 PolarHBondContact O-OG 3.26Å; A359-S361 VanDerWaalsContact C-N 3.32Å; A359-S361 PolarHBondContact O-N 3.5Å; S361-Y363 VanDerWaalsContact C-N 3.28Å; S361-Y363 PolarHBondContact O-N 3.35Å
362	Y	89.5	Confident	88.8	Confident	70 Å²	70	47.6 Å²	47.6	28%	0.275	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-12.5	174.7	-65.9	-73.3	0	0	0	113.9	K358 A360 W411 R412	K358-Y362 HydrophobicContact CG-CE2 4.27Å; K358-Y362 WeakPolarHBondContact O-CD2 3.27Å; K358-Y362 VanDerWaalsContact O-CE2 3.27Å; K358-Y362 WeakPolarHBondContact O-CE2 3.38Å; A360-Y362 PolarHBondContact O-N 3.34Å; Y362-W411 WeakPolarHBondContact O-CB 3.31Å; Y362-R412 HydrophobicContact CD1-CG 3.82Å; Y362-R412 HydrophobicContact CG-CG 4.08Å
363	Y	90.9	Very high	89.1	Confident	72 Å²	72	46.7 Å²	46.7	28%	0.282	26%	0.257	S	S	.	.			trans	-61.2	135.4	-174.8	175.6	-97.3	0	0	0	113	A360 S361 A365 F367 W411	A360-Y363 WeakPolarHBondContact O-CB 3.29Å; A360-Y363 PolarHBondContact O-N 3.06Å; S361-Y363 VanDerWaalsContact C-N 3.28Å; S361-Y363 PolarHBondContact O-N 3.35Å; Y363-A365 HydrophobicContact CE1-CB 4.18Å; Y363-F367 HydrophobicContact CE2-CD1 4.13Å; Y363-F367 AromaticContact CE2-CE1 3.91Å; Y363-F367 HydrophobicContact CE2-CE1 3.91Å; Y363-W411 HydrophobicContact CD2-CD2 4.23Å; Y363-W411 AromaticContact CD2-CE2 3.68Å; Y363-W411 HydrophobicContact CD2-CH2 4.42Å; Y363-W411 AromaticContact CD2-CZ2 3.8Å; Y363-W411 HydrophobicContact CD2-CZ2 3.8Å; Y363-W411 AromaticContact CD2-NE1 3.82Å
364	Q	87.2	Confident	89.6	Confident	85 Å²	85	49.1 Å²	49.1	40%	0.397	27%	0.273	S	S	.	.			trans	-134.4	119.8	179.2	-63.6	176.8	15.4	0	0	109.5	N366 F367 W411	Q364-N366 PolarHBondContact O-N 3.29Å; Q364-F367 WeakPolarHBondContact O-CB 3.26Å; Q364-F367 VanDerWaalsContact O-CD1 3.3Å; Q364-F367 WeakPolarHBondContact O-CD1 3.33Å; Q364-F367 PolarHBondContact O-N 2.93Å; Q364-W411 PolarHBondContact NE2-O 3.11Å; Q364-W411 PolarHBondContact OE1-O 3.46Å
365	A	87.1	Confident	90	Very high	71 Å²	71	50 Å²	50	59%	0.587	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.4	-166.2	0	0	0	0	0	115.5	Y363	Y363-A365 HydrophobicContact CE1-CB 4.18Å
366	N	88.9	Confident	90.3	Very high	67 Å²	67	52.6 Å²	52.6	36%	0.358	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	15.9	178.9	69.6	-17.8	0	0	0	113.8	Q364 L368 E369 R370	Q364-N366 PolarHBondContact O-N 3.29Å; N366-L368 PolarHBondContact O-N 3.17Å; N366-L368 VanDerWaalsContact O-N 3.14Å; N366-E369 HydrophobicContact CB-CB 4.42Å; N366-E369 WeakPolarHBondContact CB-OE2 3.38Å; N366-E369 PolarHBondContact O-N 2.91Å; N366-R370 PolarHBondContact O-N 3.22Å; N366-R370 VanDerWaalsContact O-N 3.12Å; N366-R370 PolarHBondContact OD1-NH1 3.08Å
367	F	90.3	Very high	90.5	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.009	30%	0.3	C	S	.	.	H	α-helix	trans	-55.5	-34.9	-172.2	75.8	-86.4	0	0	0	114.4	Y363 Q364 H371 T410 W411 L516	Y363-F367 HydrophobicContact CE2-CD1 4.13Å; Y363-F367 AromaticContact CE2-CE1 3.91Å; Y363-F367 HydrophobicContact CE2-CE1 3.91Å; Q364-F367 WeakPolarHBondContact O-CB 3.26Å; Q364-F367 VanDerWaalsContact O-CD1 3.3Å; Q364-F367 WeakPolarHBondContact O-CD1 3.33Å; Q364-F367 PolarHBondContact O-N 2.93Å; F367-H371 PolarHBondContact O-CD2 3Å; F367-T410 WeakPolarHBondContact CD2-OG1 3.48Å; F367-T410 WeakPolarHBondContact CE2-OG1 3.33Å; F367-W411 AromaticContact CD1-CD1 3.85Å; F367-W411 AromaticContact CD1-NE1 3.87Å; F367-W411 AromaticContact CD2-CD1 3.68Å; F367-W411 AromaticContact CD2-NE1 3.98Å; F367-W411 AromaticContact CE1-NE1 3.76Å; F367-W411 AromaticContact CE2-NE1 3.85Å; F367-W411 AromaticContact CG-CD1 3.55Å; F367-W411 AromaticContact CG-NE1 3.97Å; F367-W411 AromaticContact CZ-NE1 3.73Å; F367-L516 HydrophobicContact CE1-CD1 3.63Å; F367-L516 HydrophobicContact CZ-CD1 3.52Å
368	L	91.7	Very high	90.9	Very high	10 Å²	10	51.6 Å²	51.6	5%	0.052	29%	0.289	C	S	.	.	H	α-helix	trans	-72.7	-44.8	175.7	-65	179	0	0	0	112.1	N366 R370 H371 G372 L373 R378 L516	N366-L368 PolarHBondContact O-N 3.17Å; N366-L368 VanDerWaalsContact O-N 3.14Å; L368-R370 VanDerWaalsContact C-N 3.31Å; L368-R370 PolarHBondContact O-N 3.03Å; L368-H371 PolarHBondContact O-N 2.74Å; L368-H371 VanDerWaalsContact O-N 3.08Å; L368-G372 PolarHBondContact O-N 3.04Å; L368-L373 CarbonylContact C-O 3.52Å; L368-L373 HydrophobicContact CB-CB 4.11Å; L368-L373 HydrophobicContact CD2-CB 3.95Å; L368-L373 HydrophobicContact CD2-CD1 4.17Å; L368-L373 WeakPolarHBondContact O-CB 3.32Å; L368-L373 PolarHBondContact O-N 3.33Å; L368-R378 HydrophobicContact CD1-CB 4.36Å; L368-R378 HydrophobicContact CD2-CB 4.32Å; L368-L516 HydrophobicContact CD1-CD1 3.85Å; L368-L516 HydrophobicContact CD1-CD2 3.81Å; L368-L516 HydrophobicContact CD1-CG 4.48Å
369	E	90.6	Very high	91.3	Very high	109 Å²	109	48.1 Å²	48.1	51%	0.509	28%	0.275	S	S	.	.	H	α-helix	trans	-59.1	-42	-177.9	-62.9	173.2	168.6	0	0	111.2	N366 H371 G372	N366-E369 HydrophobicContact CB-CB 4.42Å; N366-E369 WeakPolarHBondContact CB-OE2 3.38Å; N366-E369 PolarHBondContact O-N 2.91Å; E369-H371 PolarHBondContact O-N 3.44Å; E369-G372 PolarHBondContact O-N 3.24Å; E369-G372 VanDerWaalsContact O-N 3.09Å
370	R	90.5	Very high	91.7	Very high	75 Å²	75	49 Å²	49	28%	0.283	28%	0.28	S	S	.	.	H	α-helix	trans	-59	-29.6	176.8	-65.5	-165.6	-50.5	-114.4	18.3	114.2	N366 L368 T410 W411 Q413	N366-R370 PolarHBondContact O-N 3.22Å; N366-R370 VanDerWaalsContact O-N 3.12Å; N366-R370 PolarHBondContact OD1-NH1 3.08Å; L368-R370 VanDerWaalsContact C-N 3.31Å; L368-R370 PolarHBondContact O-N 3.03Å; R370-T410 PolarHBondContact NH2-O 3.03Å; R370-W411 PolarHBondContact NH2-O 3.11Å; R370-Q413 PolarHBondContact NH2-O 3.24Å
371	H	91.3	Very high	92	Very high	5 Å²	5	48 Å²	48	2%	0.023	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	7.4	-178.9	-60.2	-42.1	0	0	0	112.6	F367 L368 E369 L373 T410 Q413 I414 T415 L416 P418	F367-H371 PolarHBondContact O-CD2 3Å; L368-H371 PolarHBondContact O-N 2.74Å; L368-H371 VanDerWaalsContact O-N 3.08Å; E369-H371 PolarHBondContact O-N 3.44Å; H371-L373 HydrophobicContact CB-CD1 3.82Å; H371-L373 HydrophobicContact CB-CG 3.87Å; H371-L373 PolarHBondContact O-N 2.84Å; H371-T410 WeakPolarHBondContact NE2-CA 3.21Å; H371-T410 PolarHBondContact NE2-O 3.28Å; H371-Q413 PolarHBondContact CE1-O 3Å; H371-Q413 PolarHBondContact NE2-O 2.88Å; H371-Q413 VanDerWaalsContact NE2-O 3.08Å; H371-I414 WeakPolarHBondContact CE1-CA 2.99Å; H371-I414 PolarHBondContact CE1-N 3.15Å; H371-I414 VanDerWaalsContact CE1-N 3.28Å; H371-I414 PolarHBondContact CE1-O 2.9Å; H371-T415 VanDerWaalsContact CE1-CA 3.5Å; H371-T415 WeakPolarHBondContact CE1-CA 3.42Å; H371-T415 PolarHBondContact CE1-N 2.94Å; H371-L416 HydrophobicContact CB-CB 4.22Å; H371-L416 PolarHBondContact ND1-N 2.92Å; H371-P418 WeakPolarHBondContact O-CD 3.41Å; H371-P418 WeakPolarHBondContact O-CG 3.38Å
372	G	92.7	Very high	92.5	Very high	58 Å²	58	44 Å²	44	60%	0.598	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	64	23.9	-173.9	0	0	0	0	0	113.5	L368 E369	L368-G372 PolarHBondContact O-N 3.04Å; E369-G372 PolarHBondContact O-N 3.24Å; E369-G372 VanDerWaalsContact O-N 3.09Å
373	L	94	Very high	92.8	Very high	9 Å²	9	40.8 Å²	40.8	5%	0.047	23%	0.23	C	C	.	.			trans	-98.1	160	179.8	-60.9	174.3	0	0	0	110.7	L368 H371 V377 P418 Y421	L368-L373 CarbonylContact C-O 3.52Å; L368-L373 HydrophobicContact CB-CB 4.11Å; L368-L373 HydrophobicContact CD2-CB 3.95Å; L368-L373 HydrophobicContact CD2-CD1 4.17Å; L368-L373 WeakPolarHBondContact O-CB 3.32Å; L368-L373 PolarHBondContact O-N 3.33Å; H371-L373 HydrophobicContact CB-CD1 3.82Å; H371-L373 HydrophobicContact CB-CG 3.87Å; H371-L373 PolarHBondContact O-N 2.84Å; L373-V377 HydrophobicContact CD2-CG1 4.02Å; L373-P418 HydrophobicContact CD2-CB 4.2Å; L373-Y421 HydrophobicContact CD1-CD1 4.5Å; L373-Y421 HydrophobicContact CD1-CD2 3.45Å; L373-Y421 VanDerWaalsContact CD1-CD2 3.45Å; L373-Y421 HydrophobicContact CD1-CE2 3.53Å; L373-Y421 HydrophobicContact CD1-CG 3.98Å; L373-Y421 HydrophobicContact CD2-CD1 4.16Å; L373-Y421 HydrophobicContact CD2-CD2 4.23Å; L373-Y421 HydrophobicContact CD2-CG 3.89Å
374	T	93.6	Very high	93.1	Very high	63 Å²	63	37.8 Å²	37.8	39%	0.387	22%	0.218	S	C	.	.			trans	-124.7	159.9	174.7	60.5	0	0	0	0	110.3	T376 V377 R378	T374-T376 PolarHBondContact O-N 2.95Å; T374-T376 PolarHBondContact OG1-OG1 3.28Å; T374-T376 VanDerWaalsContact OG1-OG1 3.08Å; T374-V377 PolarHBondContact O-N 3.41Å; T374-V377 WeakPolarHBondContact OG1-CG2 3.43Å; T374-V377 PolarHBondContact OG1-N 2.86Å; T374-R378 PolarHBondContact O-N 3.33Å; T374-R378 VanDerWaalsContact O-N 3.09Å
375	E	93.2	Very high	93.7	Very high	73 Å²	73	33.8 Å²	33.8	34%	0.341	20%	0.2	S	C	.	.	H	α-helix	trans	-51.2	-41.4	173.9	175.5	167.7	-152	0	0	112.2	V377 R378 A379 L516	E375-V377 VanDerWaalsContact C-N 3.34Å; E375-V377 PolarHBondContact O-N 2.99Å; E375-R378 PolarHBondContact O-N 2.91Å; E375-A379 WeakPolarHBondContact O-CB 3.17Å; E375-A379 PolarHBondContact O-N 3.37Å; E375-L516 HydrophobicContact CB-CD2 3.92Å; E375-L516 HydrophobicContact CG-CB 3.86Å; E375-L516 HydrophobicContact CG-CD2 4.04Å; E375-L516 VanDerWaalsContact OE1-CB 3.29Å; E375-L516 WeakPolarHBondContact OE1-CB 3.4Å
376	T	93.6	Very high	94.2	Very high	83 Å²	83	30.4 Å²	30.4	51%	0.509	17%	0.172	S	C	.	.	H	α-helix	trans	-66.2	-34.4	179.1	62.4	0	0	0	0	112.5	T374 T380 Y610	T374-T376 PolarHBondContact O-N 2.95Å; T374-T376 PolarHBondContact OG1-OG1 3.28Å; T374-T376 VanDerWaalsContact OG1-OG1 3.08Å; T376-T380 WeakPolarHBondContact O-CB 3.39Å; T376-T380 PolarHBondContact O-N 3.29Å; T376-T380 PolarHBondContact O-OG1 3.46Å; T376-Y610 PolarHBondContact O-OH 2.88Å; T376-Y610 VanDerWaalsContact O-OH 3.1Å
377	V	94.5	Very high	94.5	Very high	29 Å²	29	31.4 Å²	31.4	18%	0.176	17%	0.171	C	C	.	.	H	α-helix	trans	-69.2	-41.1	174.9	172.8	0	0	0	0	110.8	L373 T374 E375 T380 L381 Y421	L373-V377 HydrophobicContact CD2-CG1 4.02Å; T374-V377 PolarHBondContact O-N 3.41Å; T374-V377 WeakPolarHBondContact OG1-CG2 3.43Å; T374-V377 PolarHBondContact OG1-N 2.86Å; E375-V377 VanDerWaalsContact C-N 3.34Å; E375-V377 PolarHBondContact O-N 2.99Å; V377-T380 PolarHBondContact O-N 3.34Å; V377-L381 PolarHBondContact O-N 2.96Å; V377-Y421 HydrophobicContact CG1-CD1 3.65Å; V377-Y421 HydrophobicContact CG1-CE1 3.92Å
378	R	96	Very high	94.8	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.015	17%	0.171	C	C	.	.	H	α-helix	trans	-59.6	-51.8	171.7	-179.2	-178.5	176.3	-71	-6.6	111.3	L368 T374 E375 T380 L381 C382 D407 Y421 L513 T514	L368-R378 HydrophobicContact CD1-CB 4.36Å; L368-R378 HydrophobicContact CD2-CB 4.32Å; T374-R378 PolarHBondContact O-N 3.33Å; T374-R378 VanDerWaalsContact O-N 3.09Å; E375-R378 PolarHBondContact O-N 2.91Å; R378-T380 VanDerWaalsContact C-N 3.28Å; R378-T380 PolarHBondContact O-N 2.91Å; R378-L381 PolarHBondContact O-N 3.08Å; R378-L381 VanDerWaalsContact O-N 3.13Å; R378-C382 PolarHBondContact O-N 2.74Å; R378-C382 PolarHBondContact O-SG 3.37Å; R378-C382 VanDerWaalsContact O-SG 3.34Å; R378-D407 IonicContact CZ-OD1 3.24Å; R378-D407 IonicContact CZ-OD2 2.74Å; R378-D407 IonicContact NE-OD1 2.61Å; R378-D407 PolarHBondContact NE-OD1 2.91Å; R378-D407 IonicContact NE-OD2 3.94Å; R378-D407 IonicContact NH2-OD1 3.1Å; R378-D407 PolarHBondContact NH2-OD1 3.36Å; R378-D407 IonicContact NH2-OD2 3.8Å; R378-D407 PolarHBondContact NH2-OD2 3.21Å; R378-Y421 WeakPolarHBondContact CG-OH 3.48Å; R378-L513 PolarHBondContact NH1-O 2.79Å; R378-L513 PolarHBondContact NH2-O 3.41Å; R378-T514 PolarHBondContact NH1-O 3Å
379	A	95.7	Very high	95.1	Very high	5 Å²	5	31.2 Å²	31.2	4%	0.041	17%	0.17	C	C	.	.	H	α-helix	trans	-58.8	-39.5	179.2	0	0	0	0	0	112.3	E375 C382 D383 Y610	E375-A379 WeakPolarHBondContact O-CB 3.17Å; E375-A379 PolarHBondContact O-N 3.37Å; A379-C382 PolarHBondContact O-N 3.26Å; A379-D383 WeakPolarHBondContact O-CB 3.27Å; A379-D383 PolarHBondContact O-N 3.41Å; A379-Y610 HydrophobicContact CB-CD1 4.31Å; A379-Y610 HydrophobicContact CB-CD2 3.84Å; A379-Y610 HydrophobicContact CB-CE1 4.04Å; A379-Y610 HydrophobicContact CB-CE2 3.5Å; A379-Y610 VanDerWaalsContact CB-CE2 3.5Å; A379-Y610 HydrophobicContact CB-CG 4.23Å
380	T	95.9	Very high	95.3	Very high	31 Å²	31	29 Å²	29	19%	0.19	16%	0.159	C	C	.	.	H	α-helix	trans	-62.7	-43.9	175.1	-53.4	0	0	0	0	112	F68 T376 V377 R378 W384 Y610	F68-T380 HydrophobicContact CB-CG2 4.04Å; F68-T380 HydrophobicContact CD2-CG2 3.69Å; F68-T380 HydrophobicContact CE2-CG2 4.36Å; F68-T380 HydrophobicContact CG-CG2 3.97Å; T376-T380 WeakPolarHBondContact O-CB 3.39Å; T376-T380 PolarHBondContact O-N 3.29Å; T376-T380 PolarHBondContact O-OG1 3.46Å; V377-T380 PolarHBondContact O-N 3.34Å; R378-T380 VanDerWaalsContact C-N 3.28Å; R378-T380 PolarHBondContact O-N 2.91Å; T380-W384 PolarHBondContact O-N 2.87Å; T380-W384 VanDerWaalsContact O-N 3.1Å; T380-Y610 WeakPolarHBondContact OG1-CE1 3.32Å; T380-Y610 PolarHBondContact OG1-OH 3.35Å
381	L	97.2	Very high	95.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.4	-48.9	175.7	-178.7	66.9	0	0	0	110.9	F68 V377 R378 D383 W384 M385 V406 Y421	F68-L381 HydrophobicContact CE1-CD1 3.56Å; F68-L381 HydrophobicContact CZ-CD1 4.01Å; V377-L381 PolarHBondContact O-N 2.96Å; R378-L381 PolarHBondContact O-N 3.08Å; R378-L381 VanDerWaalsContact O-N 3.13Å; L381-D383 PolarHBondContact O-N 3.2Å; L381-W384 HydrophobicContact CD1-CE3 3.89Å; L381-W384 HydrophobicContact CD1-CZ3 4.18Å; L381-W384 PolarHBondContact O-N 2.66Å; L381-M385 HydrophobicContact CD1-CG 4.48Å; L381-M385 HydrophobicContact CD2-SD 4.36Å; L381-M385 HydrophobicContact CG-CG 4.37Å; L381-M385 HydrophobicContact CG-SD 3.96Å; L381-M385 VanDerWaalsContact O-CG 3.25Å; L381-M385 WeakPolarHBondContact O-CG 3.42Å; L381-M385 PolarHBondContact O-N 3.25Å; L381-V406 HydrophobicContact CD2-CG1 4.14Å; L381-Y421 HydrophobicContact CB-CD1 4.24Å; L381-Y421 HydrophobicContact CB-CE1 3.73Å; L381-Y421 HydrophobicContact CD2-CD1 3.77Å; L381-Y421 HydrophobicContact CD2-CD2 4.43Å; L381-Y421 HydrophobicContact CD2-CE1 3.4Å; L381-Y421 HydrophobicContact CD2-CE2 4.1Å; L381-Y421 HydrophobicContact CD2-CG 4.28Å; L381-Y421 HydrophobicContact CG-CE1 4.17Å
382	C	97.4	Very high	95.8	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.014	17%	0.173	C	C	.	.	H	α-helix	trans	-60.3	-42.1	-179.6	-66.3	0	0	0	0	112.4	R378 A379 M385 I386 L513 T514	R378-C382 PolarHBondContact O-N 2.74Å; R378-C382 PolarHBondContact O-SG 3.37Å; R378-C382 VanDerWaalsContact O-SG 3.34Å; A379-C382 PolarHBondContact O-N 3.26Å; C382-M385 PolarHBondContact O-N 2.67Å; C382-I386 WeakPolarHBondContact O-CG1 3.37Å; C382-I386 PolarHBondContact O-N 2.91Å; C382-L513 HydrophobicContact CB-CB 4.49Å; C382-L513 PolarHBondContact SG-O 3.48Å; C382-T514 HydrophobicContact CB-CG2 4.04Å
383	D	97.1	Very high	95.9	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-62.8	-43.9	175.1	-173.9	80.3	0	0	0	112	A379 L381 M385 I386 R387 T514 Y610 E611 A612	A379-D383 WeakPolarHBondContact O-CB 3.27Å; A379-D383 PolarHBondContact O-N 3.41Å; L381-D383 PolarHBondContact O-N 3.2Å; D383-M385 VanDerWaalsContact C-N 3.34Å; D383-M385 PolarHBondContact O-N 2.75Å; D383-I386 WeakPolarHBondContact O-CB 3.17Å; D383-I386 PolarHBondContact O-N 3.2Å; D383-R387 WeakPolarHBondContact O-CG 3.48Å; D383-R387 PolarHBondContact O-N 2.85Å; D383-R387 VanDerWaalsContact O-N 3.16Å; D383-R387 IonicContact OD2-CZ 2.77Å; D383-R387 IonicContact OD2-NE 2.75Å; D383-R387 PolarHBondContact OD2-NE 2.96Å; D383-R387 IonicContact OD2-NH2 2.97Å; D383-R387 PolarHBondContact OD2-NH2 3.46Å; D383-T514 HydrophobicContact CB-CG2 4.29Å; D383-Y610 HydrophobicContact CB-CD1 3.81Å; D383-Y610 HydrophobicContact CB-CG 4.34Å; D383-Y610 WeakPolarHBondContact OD1-CA 3.3Å; D383-E611 PolarHBondContact OD1-N 2.86Å; D383-A612 WeakPolarHBondContact OD1-CB 3.32Å; D383-A612 PolarHBondContact OD1-N 3.28Å
384	W	97.3	Very high	95.9	Very high	8 Å²	8	38.1 Å²	38.1	3%	0.03	19%	0.185	C	C	.	.	H	α-helix	trans	-60.8	-41.2	172.9	172.6	88.2	0	0	0	112.2	F68 T380 L381 I386 R387 V388 V426 I429 L449 T450	F68-W384 HydrophobicContact CB-CB 4.47Å; F68-W384 HydrophobicContact CD1-CB 3.88Å; F68-W384 HydrophobicContact CD1-CD2 4.04Å; F68-W384 AromaticContact CD1-CG 3.74Å; F68-W384 HydrophobicContact CD1-CG 3.74Å; F68-W384 HydrophobicContact CE1-CD2 4.44Å; F68-W384 HydrophobicContact CE1-CE3 4.48Å; T380-W384 PolarHBondContact O-N 2.87Å; T380-W384 VanDerWaalsContact O-N 3.1Å; L381-W384 HydrophobicContact CD1-CE3 3.89Å; L381-W384 HydrophobicContact CD1-CZ3 4.18Å; L381-W384 PolarHBondContact O-N 2.66Å; W384-I386 VanDerWaalsContact C-N 3.32Å; W384-I386 PolarHBondContact O-N 3.43Å; W384-R387 WeakPolarHBondContact O-CB 3.43Å; W384-R387 PolarHBondContact O-N 2.97Å; W384-R387 VanDerWaalsContact O-N 3.14Å; W384-V388 HydrophobicContact CD2-CG2 3.96Å; W384-V388 HydrophobicContact CE3-CG2 4.31Å; W384-V388 HydrophobicContact CH2-CG2 4.07Å; W384-V388 HydrophobicContact CZ2-CG2 3.69Å; W384-V388 HydrophobicContact CZ3-CG2 4.37Å; W384-V388 WeakPolarHBondContact O-CG2 3.29Å; W384-V388 PolarHBondContact O-N 2.66Å; W384-V426 HydrophobicContact CH2-CB 4.1Å; W384-V426 HydrophobicContact CH2-CG2 4.37Å; W384-I429 HydrophobicContact CZ3-CD1 4.28Å; W384-L449 WeakPolarHBondContact CZ2-O 3.32Å; W384-T450 HydrophobicContact CH2-CG2 3.99Å; W384-T450 HydrophobicContact CZ2-CG2 3.95Å
385	M	98.4	Very high	96	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-61.7	-37	176.2	-66.8	171.4	78.7	0	0	112.3	L381 C382 D383 V388 Q389 L399 A402 V403 V406 I429	L381-M385 HydrophobicContact CD1-CG 4.48Å; L381-M385 HydrophobicContact CD2-SD 4.36Å; L381-M385 HydrophobicContact CG-CG 4.37Å; L381-M385 HydrophobicContact CG-SD 3.96Å; L381-M385 VanDerWaalsContact O-CG 3.25Å; L381-M385 WeakPolarHBondContact O-CG 3.42Å; L381-M385 PolarHBondContact O-N 3.25Å; C382-M385 PolarHBondContact O-N 2.67Å; D383-M385 VanDerWaalsContact C-N 3.34Å; D383-M385 PolarHBondContact O-N 2.75Å; M385-V388 PolarHBondContact O-N 3.02Å; M385-Q389 PolarHBondContact O-N 2.93Å; M385-L399 HydrophobicContact CB-CD1 3.92Å; M385-A402 HydrophobicContact CE-CB 3.58Å; M385-V403 HydrophobicContact CE-CG2 3.84Å; M385-V403 HydrophobicContact SD-CG2 3.99Å; M385-V406 HydrophobicContact CE-CG2 4.09Å; M385-V406 HydrophobicContact SD-CG2 4.36Å; M385-I429 HydrophobicContact CB-CD1 4.31Å; M385-I429 HydrophobicContact CE-CD1 4.3Å; M385-I429 HydrophobicContact CE-CG1 3.93Å; M385-I429 HydrophobicContact CG-CD1 4.02Å
386	I	97.7	Very high	96	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-61.7	-47.2	172.7	-65.2	161	0	0	0	110.2	C382 D383 W384 V388 Q389 Q390 L399 L513 A612 A613 K616	C382-I386 WeakPolarHBondContact O-CG1 3.37Å; C382-I386 PolarHBondContact O-N 2.91Å; D383-I386 WeakPolarHBondContact O-CB 3.17Å; D383-I386 PolarHBondContact O-N 3.2Å; W384-I386 VanDerWaalsContact C-N 3.32Å; W384-I386 PolarHBondContact O-N 3.43Å; I386-V388 VanDerWaalsContact C-N 3.32Å; I386-V388 PolarHBondContact O-N 3.49Å; I386-Q389 WeakPolarHBondContact O-CB 3.26Å; I386-Q389 PolarHBondContact O-N 3.42Å; I386-Q390 WeakPolarHBondContact O-CG 3.01Å; I386-Q390 PolarHBondContact O-N 2.74Å; I386-L399 HydrophobicContact CG1-CD1 4.36Å; I386-L399 HydrophobicContact CG1-CD2 3.95Å; I386-L513 HydrophobicContact CD1-CD1 4.39Å; I386-L513 HydrophobicContact CG1-CD1 4.22Å; I386-A612 HydrophobicContact CB-CB 3.94Å; I386-A612 HydrophobicContact CG2-CB 3.73Å; I386-A613 HydrophobicContact CD1-CB 4.29Å; I386-K616 HydrophobicContact CG2-CD 4.39Å
387	R	96.6	Very high	96.1	Very high	88 Å²	88	35.9 Å²	35.9	33%	0.332	16%	0.16	S	C	.	.	H	α-helix	trans	-60.9	-40.4	177.1	-56.7	171.2	-163.8	-167.9	-0.5	111.9	F71 D383 W384 Q390 Y391 A612	F71-R387 HydrophobicContact CE2-CB 3.61Å; F71-R387 HydrophobicContact CE2-CG 4.4Å; F71-R387 HydrophobicContact CZ-CB 3.72Å; D383-R387 WeakPolarHBondContact O-CG 3.48Å; D383-R387 PolarHBondContact O-N 2.85Å; D383-R387 VanDerWaalsContact O-N 3.16Å; D383-R387 IonicContact OD2-CZ 2.77Å; D383-R387 IonicContact OD2-NE 2.75Å; D383-R387 PolarHBondContact OD2-NE 2.96Å; D383-R387 IonicContact OD2-NH2 2.97Å; D383-R387 PolarHBondContact OD2-NH2 3.46Å; W384-R387 WeakPolarHBondContact O-CB 3.43Å; W384-R387 PolarHBondContact O-N 2.97Å; W384-R387 VanDerWaalsContact O-N 3.14Å; R387-Q390 PolarHBondContact O-N 3.25Å; R387-Y391 WeakPolarHBondContact O-CB 3.34Å; R387-Y391 PolarHBondContact O-N 3.46Å; R387-A612 HydrophobicContact CG-CB 3.73Å
388	V	96.9	Very high	96.2	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	15%	0.152	C	C	.	.	H	α-helix	trans	-62.4	-44.4	174.9	168.4	0	0	0	0	111.4	F71 W384 M385 I386 Q390 Y391 L392 I429 L449	F71-V388 HydrophobicContact CZ-CG2 4.41Å; W384-V388 HydrophobicContact CD2-CG2 3.96Å; W384-V388 HydrophobicContact CE3-CG2 4.31Å; W384-V388 HydrophobicContact CH2-CG2 4.07Å; W384-V388 HydrophobicContact CZ2-CG2 3.69Å; W384-V388 HydrophobicContact CZ3-CG2 4.37Å; W384-V388 WeakPolarHBondContact O-CG2 3.29Å; W384-V388 PolarHBondContact O-N 2.66Å; M385-V388 PolarHBondContact O-N 3.02Å; I386-V388 VanDerWaalsContact C-N 3.32Å; I386-V388 PolarHBondContact O-N 3.49Å; V388-Q390 VanDerWaalsContact C-N 3.3Å; V388-Q390 PolarHBondContact O-N 3.17Å; V388-Y391 PolarHBondContact O-N 2.84Å; V388-L392 HydrophobicContact CG1-CD1 3.82Å; V388-L392 HydrophobicContact CG1-CG 4.41Å; V388-L392 WeakPolarHBondContact O-CB 3.21Å; V388-L392 PolarHBondContact O-N 3.11Å; V388-I429 HydrophobicContact CB-CD1 4.25Å; V388-I429 HydrophobicContact CG1-CD1 3.78Å; V388-L449 HydrophobicContact CG1-CD1 3.83Å; V388-L449 HydrophobicContact CG2-CD1 4.3Å
389	Q	96.9	Very high	96.3	Very high	7 Å²	7	34.6 Å²	34.6	3%	0.033	15%	0.153	C	C	.	.	H	α-helix	trans	-57.5	-43.1	174.5	174.5	-79.1	-29.3	0	0	111.5	M385 I386 K393 L394 L399	M385-Q389 PolarHBondContact O-N 2.93Å; I386-Q389 WeakPolarHBondContact O-CB 3.26Å; I386-Q389 PolarHBondContact O-N 3.42Å; Q389-K393 WeakPolarHBondContact O-CA 3.49Å; Q389-K393 PolarHBondContact O-N 2.95Å; Q389-L394 HydrophobicContact CG-CB 4.19Å; Q389-L394 PolarHBondContact NE2-O 3.23Å; Q389-L394 PolarHBondContact O-N 2.87Å; Q389-L394 VanDerWaalsContact O-N 3.09Å; Q389-L399 HydrophobicContact CB-CB 4.08Å; Q389-L399 HydrophobicContact CB-CD1 4.34Å; Q389-L399 HydrophobicContact CB-CD2 4.14Å; Q389-L399 HydrophobicContact CB-CG 4.42Å; Q389-L399 HydrophobicContact CG-CB 3.88Å; Q389-L399 HydrophobicContact CG-CD2 4.12Å
390	Q	95.4	Very high	96.4	Very high	62 Å²	62	34.7 Å²	34.7	29%	0.29	15%	0.152	S	C	.	.	H	α-helix	trans	-66.4	-46.2	177.6	-67.7	179.4	-80.8	0	0	112.1	I386 R387 V388 K393 K616	I386-Q390 WeakPolarHBondContact O-CG 3.01Å; I386-Q390 PolarHBondContact O-N 2.74Å; R387-Q390 PolarHBondContact O-N 3.25Å; V388-Q390 VanDerWaalsContact C-N 3.3Å; V388-Q390 PolarHBondContact O-N 3.17Å; Q390-K393 PolarHBondContact O-N 3.11Å; Q390-K616 HydrophobicContact CG-CB 4.39Å; Q390-K616 HydrophobicContact CG-CD 3.91Å; Q390-K616 HydrophobicContact CG-CG 4.09Å; Q390-K616 VanDerWaalsContact NE2-CB 3.33Å
391	Y	95.5	Very high	96.5	Very high	100 Å²	100	33.4 Å²	33.4	39%	0.392	14%	0.144	S	C	.	.	H	α-helix	trans	-61.4	-45.8	-179	-179	-92.6	0	0	0	111.9	F71 R387 V388 K393 L449	F71-Y391 AromaticContact CD1-CD2 3.93Å; F71-Y391 HydrophobicContact CD1-CD2 3.93Å; F71-Y391 HydrophobicContact CD1-CE2 4.35Å; F71-Y391 HydrophobicContact CD1-CG 4.24Å; F71-Y391 HydrophobicContact CE1-CD2 4.05Å; F71-Y391 AromaticContact CE1-CG 3.9Å; F71-Y391 HydrophobicContact CE1-CG 3.9Å; R387-Y391 WeakPolarHBondContact O-CB 3.34Å; R387-Y391 PolarHBondContact O-N 3.46Å; V388-Y391 PolarHBondContact O-N 2.84Å; Y391-K393 VanDerWaalsContact C-N 3.32Å; Y391-L449 HydrophobicContact CD1-CD1 4.22Å; Y391-L449 HydrophobicContact CD1-CD2 3.75Å; Y391-L449 HydrophobicContact CE1-CD2 3.79Å; Y391-L449 HydrophobicContact CG-CD2 4.42Å
392	L	95.8	Very high	96.5	Very high	38 Å²	38	33.4 Å²	33.4	20%	0.199	14%	0.144	C	C	.	.	H	α-helix	trans	-81.4	-9.1	178.4	-66.1	179.4	0	0	0	113.8	V388 L394 P441 I445 L446 L449	V388-L392 HydrophobicContact CG1-CD1 3.82Å; V388-L392 HydrophobicContact CG1-CG 4.41Å; V388-L392 WeakPolarHBondContact O-CB 3.21Å; V388-L392 PolarHBondContact O-N 3.11Å; L392-L394 HydrophobicContact CB-CD1 4.19Å; L392-L394 HydrophobicContact CB-CD2 3.9Å; L392-L394 HydrophobicContact CB-CG 3.7Å; L392-L394 HydrophobicContact CD1-CD1 4.15Å; L392-L394 HydrophobicContact CD1-CG 4.49Å; L392-L394 PolarHBondContact O-N 3.44Å; L392-P441 HydrophobicContact CD1-CG 4.33Å; L392-I445 HydrophobicContact CD2-CG2 3.69Å; L392-L446 HydrophobicContact CD1-CD2 3.71Å; L392-L449 HydrophobicContact CD1-CD1 3.74Å; L392-L449 HydrophobicContact CD2-CD1 4Å; L392-L449 HydrophobicContact CG-CD1 3.83Å
393	K	94.8	Very high	96.5	Very high	183 Å²	183	33.5 Å²	33.5	80%	0.796	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	37.1	-176.6	-53.3	178.6	-176.5	177.9	0	113.3	Q389 Q390 Y391	Q389-K393 WeakPolarHBondContact O-CA 3.49Å; Q389-K393 PolarHBondContact O-N 2.95Å; Q390-K393 PolarHBondContact O-N 3.11Å; Y391-K393 VanDerWaalsContact C-N 3.32Å
394	L	95.2	Very high	96.5	Very high	18 Å²	18	34.8 Å²	34.8	9%	0.094	15%	0.154	C	C	.	.			trans	-68.5	161.5	176.3	-49.6	172.5	0	0	0	110.1	Q389 L392 I429 V433 E437	Q389-L394 HydrophobicContact CG-CB 4.19Å; Q389-L394 PolarHBondContact NE2-O 3.23Å; Q389-L394 PolarHBondContact O-N 2.87Å; Q389-L394 VanDerWaalsContact O-N 3.09Å; L392-L394 HydrophobicContact CB-CD1 4.19Å; L392-L394 HydrophobicContact CB-CD2 3.9Å; L392-L394 HydrophobicContact CB-CG 3.7Å; L392-L394 HydrophobicContact CD1-CD1 4.15Å; L392-L394 HydrophobicContact CD1-CG 4.49Å; L392-L394 PolarHBondContact O-N 3.44Å; L394-I429 HydrophobicContact CD1-CG2 4.22Å; L394-V433 HydrophobicContact CD1-CG1 3.53Å; L394-V433 HydrophobicContact CD2-CG1 3.75Å; L394-V433 HydrophobicContact CG-CG1 4.19Å; L394-E437 WeakPolarHBondContact CA-OE1 3.46Å; L394-E437 HydrophobicContact CD2-CG 4.18Å
395	R	94.4	Very high	96.6	Very high	114 Å²	114	34.4 Å²	34.4	43%	0.43	15%	0.153	S	C	.	.			trans	-69.3	156.2	172.4	-54.2	-166.7	-70.1	130.4	-25.6	111.4	E397 S398 V436 E437	R395-E397 VanDerWaalsContact C-N 3.25Å; R395-E397 WeakPolarHBondContact CB-OE2 3.44Å; R395-E397 IonicContact CZ-OE2 2.79Å; R395-E397 VanDerWaalsContact NH1-CD 3.25Å; R395-E397 IonicContact NH1-OE1 3.97Å; R395-E397 IonicContact NH1-OE2 3.28Å; R395-E397 PolarHBondContact NH1-OE2 3.35Å; R395-E397 PolarHBondContact O-N 2.95Å; R395-S398 WeakPolarHBondContact O-CB 3.46Å; R395-S398 PolarHBondContact O-N 3.03Å; R395-V436 PolarHBondContact NH2-O 3.09Å; R395-E437 PolarHBondContact N-OE1 2.92Å; R395-E437 IonicContact NE-OE2 2.98Å
396	T	94.3	Very high	96.5	Very high	16 Å²	16	34.5 Å²	34.5	10%	0.098	15%	0.153	C	C	.	.	H	α-helix	trans	-66.1	-29.5	179.2	-74.9	0	0	0	0	111.5	S398 L399 H400 H480 E510	T396-S398 VanDerWaalsContact C-N 3.33Å; T396-S398 PolarHBondContact O-N 2.93Å; T396-L399 PolarHBondContact O-N 3.36Å; T396-H400 WeakPolarHBondContact CG2-CE1 3.46Å; T396-H400 WeakPolarHBondContact CG2-ND1 3.35Å; T396-H400 PolarHBondContact O-N 3.04Å; T396-H400 VanDerWaalsContact O-N 3.12Å; T396-H400 PolarHBondContact O-ND1 2.97Å; T396-H480 VanDerWaalsContact CG2-NE2 3.26Å; T396-H480 WeakPolarHBondContact CG2-NE2 3.23Å; T396-E510 HydrophobicContact CG2-CG 4.3Å; T396-E510 WeakPolarHBondContact CG2-OE1 3.37Å; T396-E510 PolarHBondContact OG1-OE1 2.78Å
397	E	94.5	Very high	96.4	Very high	42 Å²	42	34.8 Å²	34.8	20%	0.196	16%	0.155	C	C	.	.	H	α-helix	trans	-65.4	-36.2	174.2	-54.3	81.6	-176.9	0	0	111.9	R395 L399 H400 L401 V436 L478 H480	R395-E397 VanDerWaalsContact C-N 3.25Å; R395-E397 WeakPolarHBondContact CB-OE2 3.44Å; R395-E397 IonicContact CZ-OE2 2.79Å; R395-E397 VanDerWaalsContact NH1-CD 3.25Å; R395-E397 IonicContact NH1-OE1 3.97Å; R395-E397 IonicContact NH1-OE2 3.28Å; R395-E397 PolarHBondContact NH1-OE2 3.35Å; R395-E397 PolarHBondContact O-N 2.95Å; E397-L399 VanDerWaalsContact C-N 3.31Å; E397-L399 PolarHBondContact O-N 3.05Å; E397-H400 PolarHBondContact O-N 3.13Å; E397-L401 VanDerWaalsContact O-CB 3.32Å; E397-L401 WeakPolarHBondContact O-CB 3.43Å; E397-L401 PolarHBondContact O-N 2.91Å; E397-V436 HydrophobicContact CB-CG1 4.06Å; E397-L478 HydrophobicContact CB-CD1 3.86Å; E397-L478 HydrophobicContact CG-CD1 4.45Å; E397-L478 WeakPolarHBondContact O-CD1 3.44Å; E397-H480 HydrophobicContact CG-CB 4.49Å
398	S	97	Very high	96.3	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.014	14%	0.14	C	C	.	.	H	α-helix	trans	-61.7	-39.6	177.8	-51.3	0	0	0	0	111.7	R395 T396 A402 A432 V436 E437	R395-S398 WeakPolarHBondContact O-CB 3.46Å; R395-S398 PolarHBondContact O-N 3.03Å; T396-S398 VanDerWaalsContact C-N 3.33Å; T396-S398 PolarHBondContact O-N 2.93Å; S398-A402 WeakPolarHBondContact O-CB 3.43Å; S398-A402 PolarHBondContact O-N 3Å; S398-A402 VanDerWaalsContact O-N 3.08Å; S398-A432 VanDerWaalsContact O-CB 3.29Å; S398-A432 WeakPolarHBondContact O-CB 3.19Å; S398-V436 WeakPolarHBondContact OG-CB 3.28Å; S398-V436 WeakPolarHBondContact OG-CG1 3.34Å; S398-E437 PolarHBondContact OG-OE1 3.05Å
399	L	98	Very high	96.3	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.021	14%	0.14	C	C	.	.	H	α-helix	trans	-68.6	-48.1	175.1	167.9	65.7	0	0	0	112.2	M385 I386 Q389 T396 E397 A402 V403 E510 L513	M385-L399 HydrophobicContact CB-CD1 3.92Å; I386-L399 HydrophobicContact CG1-CD1 4.36Å; I386-L399 HydrophobicContact CG1-CD2 3.95Å; Q389-L399 HydrophobicContact CB-CB 4.08Å; Q389-L399 HydrophobicContact CB-CD1 4.34Å; Q389-L399 HydrophobicContact CB-CD2 4.14Å; Q389-L399 HydrophobicContact CB-CG 4.42Å; Q389-L399 HydrophobicContact CG-CB 3.88Å; Q389-L399 HydrophobicContact CG-CD2 4.12Å; T396-L399 PolarHBondContact O-N 3.36Å; E397-L399 VanDerWaalsContact C-N 3.31Å; E397-L399 PolarHBondContact O-N 3.05Å; L399-A402 WeakPolarHBondContact O-CB 3.29Å; L399-A402 PolarHBondContact O-N 3.4Å; L399-V403 HydrophobicContact CD1-CG2 4.23Å; L399-V403 PolarHBondContact O-N 3.21Å; L399-E510 HydrophobicContact CD2-CG 4.42Å; L399-L513 HydrophobicContact CD1-CD1 4.34Å; L399-L513 HydrophobicContact CD2-CD1 3.88Å; L399-L513 HydrophobicContact CG-CD1 3.92Å
400	H	97.7	Very high	96.2	Very high	6 Å²	6	30.5 Å²	30.5	3%	0.028	14%	0.138	C	C	.	.	H	α-helix	trans	-65.3	-41.7	-178.3	-74.8	78.7	0	0	0	111.4	T396 E397 A402 V403 S404 L478 H480 E510	T396-H400 WeakPolarHBondContact CG2-CE1 3.46Å; T396-H400 WeakPolarHBondContact CG2-ND1 3.35Å; T396-H400 PolarHBondContact O-N 3.04Å; T396-H400 VanDerWaalsContact O-N 3.12Å; T396-H400 PolarHBondContact O-ND1 2.97Å; E397-H400 PolarHBondContact O-N 3.13Å; H400-A402 VanDerWaalsContact C-N 3.34Å; H400-A402 PolarHBondContact O-N 2.96Å; H400-V403 PolarHBondContact O-N 3.41Å; H400-S404 WeakPolarHBondContact O-CB 3.29Å; H400-S404 PolarHBondContact O-N 3.07Å; H400-S404 PolarHBondContact O-OG 2.96Å; H400-L478 HydrophobicContact CB-CD1 4.06Å; H400-L478 HydrophobicContact CB-CD2 4.03Å; H400-L478 HydrophobicContact CB-CG 4.45Å; H400-H480 AromaticContact CD2-CE1 3.79Å; H400-H480 AromaticContact CE1-CE1 3.24Å; H400-H480 PolarHBondContact CE1-CE1 3.41Å; H400-H480 AromaticContact CE1-NE2 4Å; H400-H480 AromaticContact CG-CE1 3.77Å; H400-H480 AromaticContact CG-ND1 3.97Å; H400-H480 AromaticContact ND1-CE1 3.44Å; H400-H480 PolarHBondContact ND1-CE1 3.47Å; H400-H480 AromaticContact ND1-ND1 3.97Å; H400-H480 AromaticContact NE2-CE1 3.47Å; H400-H480 PolarHBondContact NE2-CE1 3.17Å; H400-E510 WeakPolarHBondContact CE1-CG 3.5Å
401	L	97.8	Very high	96.1	Very high	5 Å²	5	28.1 Å²	28.1	3%	0.026	13%	0.127	C	C	.	.	H	α-helix	trans	-60.5	-43.9	172.7	-178.7	60	0	0	0	111.2	E397 V403 S404 L405 A432 F435 V436 I474 I476 L478	E397-L401 VanDerWaalsContact O-CB 3.32Å; E397-L401 WeakPolarHBondContact O-CB 3.43Å; E397-L401 PolarHBondContact O-N 2.91Å; L401-V403 PolarHBondContact O-N 2.75Å; L401-S404 PolarHBondContact O-N 3.5Å; L401-L405 HydrophobicContact CD1-CD1 4.18Å; L401-L405 HydrophobicContact CD1-CG 4.05Å; L401-L405 HydrophobicContact CG-CD1 3.87Å; L401-L405 HydrophobicContact CG-CG 4.23Å; L401-L405 VanDerWaalsContact O-CB 3.27Å; L401-L405 WeakPolarHBondContact O-CB 3.24Å; L401-L405 WeakPolarHBondContact O-CG 3.13Å; L401-L405 PolarHBondContact O-N 2.78Å; L401-A432 HydrophobicContact CB-CB 4.1Å; L401-A432 HydrophobicContact CD2-CB 4.05Å; L401-A432 HydrophobicContact CG-CB 4.01Å; L401-F435 HydrophobicContact CD2-CB 4.28Å; L401-F435 HydrophobicContact CD2-CD1 3.62Å; L401-F435 HydrophobicContact CD2-CE1 4.42Å; L401-F435 HydrophobicContact CD2-CG 4.28Å; L401-V436 HydrophobicContact CD2-CG2 3.6Å; L401-I474 WeakPolarHBondContact CD1-O 3.5Å; L401-I476 HydrophobicContact CD1-CB 4.18Å; L401-I476 HydrophobicContact CD1-CD1 4.24Å; L401-L478 HydrophobicContact CB-CD1 4.28Å; L401-L478 HydrophobicContact CB-CD2 4.38Å
402	A	98.3	Very high	95.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.3	-45.9	177	0	0	0	0	0	112.3	M385 S398 L399 H400 L405 V406 A428 I429 A432	M385-A402 HydrophobicContact CE-CB 3.58Å; S398-A402 WeakPolarHBondContact O-CB 3.43Å; S398-A402 PolarHBondContact O-N 3Å; S398-A402 VanDerWaalsContact O-N 3.08Å; L399-A402 WeakPolarHBondContact O-CB 3.29Å; L399-A402 PolarHBondContact O-N 3.4Å; H400-A402 VanDerWaalsContact C-N 3.34Å; H400-A402 PolarHBondContact O-N 2.96Å; A402-L405 PolarHBondContact O-N 3.15Å; A402-V406 WeakPolarHBondContact O-CG2 3.26Å; A402-V406 PolarHBondContact O-N 3.17Å; A402-A428 HydrophobicContact CB-CB 4.44Å; A402-A428 WeakPolarHBondContact O-CB 3.38Å; A402-I429 HydrophobicContact CB-CB 4.48Å; A402-I429 HydrophobicContact CB-CG1 3.84Å; A402-A432 HydrophobicContact CB-CB 3.88Å
403	V	97.9	Very high	95.5	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.018	12%	0.12	C	C	.	.	H	α-helix	trans	-65.8	-43.8	177.2	177.5	0	0	0	0	111.3	M385 L399 H400 L401 L405 V406 D407 L513	M385-V403 HydrophobicContact CE-CG2 3.84Å; M385-V403 HydrophobicContact SD-CG2 3.99Å; L399-V403 HydrophobicContact CD1-CG2 4.23Å; L399-V403 PolarHBondContact O-N 3.21Å; H400-V403 PolarHBondContact O-N 3.41Å; L401-V403 PolarHBondContact O-N 2.75Å; V403-L405 VanDerWaalsContact C-N 3.26Å; V403-L405 PolarHBondContact O-N 3.02Å; V403-V406 WeakPolarHBondContact O-CB 3.27Å; V403-V406 PolarHBondContact O-N 3.02Å; V403-V406 VanDerWaalsContact O-N 3.15Å; V403-D407 PolarHBondContact O-N 3.3Å; V403-L513 HydrophobicContact CB-CD2 4.13Å; V403-L513 HydrophobicContact CG1-CD2 4.06Å; V403-L513 HydrophobicContact CG2-CD1 4.34Å; V403-L513 HydrophobicContact CG2-CD2 4.27Å
404	S	96.8	Very high	94.6	Very high	32 Å²	32	23.8 Å²	23.8	22%	0.224	11%	0.112	C	C	.	.	H	α-helix	trans	-60.5	-35.4	175.6	-63.4	0	0	0	0	112.8	H400 L401 Q408	H400-S404 WeakPolarHBondContact O-CB 3.29Å; H400-S404 PolarHBondContact O-N 3.07Å; H400-S404 PolarHBondContact O-OG 2.96Å; L401-S404 PolarHBondContact O-N 3.5Å; S404-Q408 VanDerWaalsContact O-CB 3.27Å; S404-Q408 WeakPolarHBondContact O-CB 3.46Å; S404-Q408 WeakPolarHBondContact O-CG 3.47Å; S404-Q408 PolarHBondContact O-N 3.26Å
405	L	97.7	Very high	94.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-68.5	-39.1	174.8	-77.4	172.4	0	0	0	112.4	L401 A402 V403 Y409 A428 I431 A432 M466 L470 I474 I476	L401-L405 HydrophobicContact CD1-CD1 4.18Å; L401-L405 HydrophobicContact CD1-CG 4.05Å; L401-L405 HydrophobicContact CG-CD1 3.87Å; L401-L405 HydrophobicContact CG-CG 4.23Å; L401-L405 VanDerWaalsContact O-CB 3.27Å; L401-L405 WeakPolarHBondContact O-CB 3.24Å; L401-L405 WeakPolarHBondContact O-CG 3.13Å; L401-L405 PolarHBondContact O-N 2.78Å; A402-L405 PolarHBondContact O-N 3.15Å; V403-L405 VanDerWaalsContact C-N 3.26Å; V403-L405 PolarHBondContact O-N 3.02Å; L405-Y409 WeakPolarHBondContact O-CB 3.22Å; L405-Y409 PolarHBondContact O-N 3.4Å; L405-A428 HydrophobicContact CB-CB 4.17Å; L405-I431 HydrophobicContact CD1-CB 4.23Å; L405-I431 HydrophobicContact CD1-CG2 3.8Å; L405-A432 HydrophobicContact CD1-CB 4.28Å; L405-M466 HydrophobicContact CB-CE 3.61Å; L405-M466 WeakPolarHBondContact O-CE 3.35Å; L405-L470 HydrophobicContact CD2-CD1 3.55Å; L405-I474 HydrophobicContact CD2-CB 4Å; L405-I474 HydrophobicContact CD2-CG2 3.71Å; L405-I476 HydrophobicContact CD2-CD1 3.75Å; L405-I476 HydrophobicContact CG-CD1 4.08Å
406	V	97.5	Very high	94	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.012	11%	0.112	C	C	.	.	H	α-helix	trans	-59.9	-53.1	171.9	172.5	0	0	0	0	110.2	L381 M385 A402 V403 Y409 T410 Y421 L424 A428	L381-V406 HydrophobicContact CD2-CG1 4.14Å; M385-V406 HydrophobicContact CE-CG2 4.09Å; M385-V406 HydrophobicContact SD-CG2 4.36Å; A402-V406 WeakPolarHBondContact O-CG2 3.26Å; A402-V406 PolarHBondContact O-N 3.17Å; V403-V406 WeakPolarHBondContact O-CB 3.27Å; V403-V406 PolarHBondContact O-N 3.02Å; V403-V406 VanDerWaalsContact O-N 3.15Å; V406-Y409 PolarHBondContact O-N 3.44Å; V406-T410 PolarHBondContact O-N 3Å; V406-T410 VanDerWaalsContact O-N 3.11Å; V406-T410 PolarHBondContact O-OG1 2.93Å; V406-Y421 HydrophobicContact CG1-CE2 3.98Å; V406-L424 HydrophobicContact CG1-CD2 3.95Å; V406-L424 HydrophobicContact CG1-CG 4.25Å; V406-L424 HydrophobicContact CG2-CG 4.27Å; V406-A428 HydrophobicContact CG2-CB 3.54Å
407	D	95.6	Very high	93.9	Very high	8 Å²	8	28 Å²	28	4%	0.043	14%	0.136	C	C	.	.	H	α-helix	trans	-60.1	-52.6	-178.5	-76.1	-32.2	0	0	0	110.7	R378 V403 Y409 T410 W411	R378-D407 IonicContact CZ-OD1 3.24Å; R378-D407 IonicContact CZ-OD2 2.74Å; R378-D407 IonicContact NE-OD1 2.61Å; R378-D407 PolarHBondContact NE-OD1 2.91Å; R378-D407 IonicContact NE-OD2 3.94Å; R378-D407 IonicContact NH2-OD1 3.1Å; R378-D407 PolarHBondContact NH2-OD1 3.36Å; R378-D407 IonicContact NH2-OD2 3.8Å; R378-D407 PolarHBondContact NH2-OD2 3.21Å; V403-D407 PolarHBondContact O-N 3.3Å; D407-Y409 VanDerWaalsContact C-N 3.31Å; D407-Y409 PolarHBondContact O-N 2.98Å; D407-T410 PolarHBondContact O-N 3.45Å; D407-T410 PolarHBondContact O-OG1 2.73Å; D407-W411 HydrophobicContact CB-CZ2 3.79Å; D407-W411 PolarHBondContact O-N 3.03Å; D407-W411 PolarHBondContact O-NE1 3.46Å
408	Q	95	Very high	93.8	Very high	4 Å²	4	28 Å²	28	2%	0.019	14%	0.14	C	C	.	.	H	α-helix	trans	-54.7	-41.7	177.6	-78.8	-74	-8.6	0	0	113.7	A359 S404 W411 R412 L470 I476	A359-Q408 VanDerWaalsContact C-NE2 3.32Å; A359-Q408 VanDerWaalsContact CA-NE2 3.33Å; A359-Q408 PolarHBondContact O-NE2 2.91Å; S404-Q408 VanDerWaalsContact O-CB 3.27Å; S404-Q408 WeakPolarHBondContact O-CB 3.46Å; S404-Q408 WeakPolarHBondContact O-CG 3.47Å; S404-Q408 PolarHBondContact O-N 3.26Å; Q408-W411 HydrophobicContact CG-CE3 4.37Å; Q408-W411 HydrophobicContact CG-CZ3 4.41Å; Q408-W411 PolarHBondContact O-N 2.99Å; Q408-R412 WeakPolarHBondContact O-CG 3.24Å; Q408-R412 PolarHBondContact O-N 3.47Å; Q408-R412 VanDerWaalsContact OE1-NE 3.13Å; Q408-R412 VanDerWaalsContact OE1-NH2 3.1Å; Q408-L470 HydrophobicContact CB-CD2 3.83Å; Q408-I476 HydrophobicContact CB-CD1 4.46Å; Q408-I476 HydrophobicContact CG-CD1 3.84Å
409	Y	95.9	Very high	93.6	Very high	1 Å²	1	31.7 Å²	31.7	0%	0.004	17%	0.165	C	C	.	.	H	α-helix	trans	-62.2	-47.6	176.6	-177.4	-91.6	0	0	0	110.9	L405 V406 D407 W411 R412 Q413 L416 L424 F462 K465 M466 A469	L405-Y409 WeakPolarHBondContact O-CB 3.22Å; L405-Y409 PolarHBondContact O-N 3.4Å; V406-Y409 PolarHBondContact O-N 3.44Å; D407-Y409 VanDerWaalsContact C-N 3.31Å; D407-Y409 PolarHBondContact O-N 2.98Å; Y409-W411 VanDerWaalsContact C-N 3.32Å; Y409-W411 PolarHBondContact O-N 2.85Å; Y409-R412 PolarHBondContact O-N 3.02Å; Y409-Q413 HydrophobicContact CD1-CG 4.33Å; Y409-Q413 HydrophobicContact CD2-CG 4.13Å; Y409-Q413 HydrophobicContact CE1-CB 4.37Å; Y409-Q413 HydrophobicContact CE1-CG 4.04Å; Y409-Q413 HydrophobicContact CE2-CG 3.83Å; Y409-Q413 HydrophobicContact CG-CG 4.38Å; Y409-Q413 WeakPolarHBondContact O-CB 3.43Å; Y409-Q413 WeakPolarHBondContact O-CG 3.45Å; Y409-Q413 PolarHBondContact O-N 3.03Å; Y409-L416 HydrophobicContact CE1-CD1 4.22Å; Y409-L424 HydrophobicContact CD1-CD1 3.67Å; Y409-L424 HydrophobicContact CD1-CD2 3.74Å; Y409-L424 HydrophobicContact CD1-CG 4.36Å; Y409-L424 HydrophobicContact CE1-CD1 4.29Å; Y409-L424 HydrophobicContact CE1-CD2 4.42Å; Y409-L424 HydrophobicContact CG-CD1 3.79Å; Y409-L424 HydrophobicContact CG-CD2 4.48Å; Y409-F462 HydrophobicContact CE1-CE1 4.35Å; Y409-F462 HydrophobicContact CE1-CZ 4.16Å; Y409-K465 WeakPolarHBondContact OH-CD 3.43Å; Y409-K465 WeakPolarHBondContact OH-CE 3.39Å; Y409-K465 PolarHBondContact OH-NZ 3.23Å; Y409-M466 HydrophobicContact CD2-CB 4.22Å; Y409-M466 HydrophobicContact CD2-CG 3.8Å; Y409-M466 HydrophobicContact CE2-CB 4.23Å; Y409-M466 HydrophobicContact CE2-CG 4.31Å; Y409-M466 HydrophobicContact CG-CG 4.44Å; Y409-A469 HydrophobicContact CD2-CB 3.75Å; Y409-A469 HydrophobicContact CE2-CB 3.49Å; Y409-A469 VanDerWaalsContact CE2-CB 3.49Å
410	T	95.1	Very high	93.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-67.6	-28.3	179	59	0	0	0	0	114	F367 R370 H371 V406 D407 L416 Y421 L424	F367-T410 WeakPolarHBondContact CD2-OG1 3.48Å; F367-T410 WeakPolarHBondContact CE2-OG1 3.33Å; R370-T410 PolarHBondContact NH2-O 3.03Å; H371-T410 WeakPolarHBondContact NE2-CA 3.21Å; H371-T410 PolarHBondContact NE2-O 3.28Å; V406-T410 PolarHBondContact O-N 3Å; V406-T410 VanDerWaalsContact O-N 3.11Å; V406-T410 PolarHBondContact O-OG1 2.93Å; D407-T410 PolarHBondContact O-N 3.45Å; D407-T410 PolarHBondContact O-OG1 2.73Å; T410-L416 HydrophobicContact CG2-CD2 3.97Å; T410-Y421 HydrophobicContact CG2-CE2 4.22Å; T410-L424 HydrophobicContact CG2-CD2 3.79Å
411	W	93.8	Very high	93.4	Very high	13 Å²	13	33.4 Å²	33.4	5%	0.049	17%	0.173	C	C	.	.	H	α-helix	trans	-69	-43.2	175.8	-62.8	-7.4	0	0	0	112.3	A359 Y362 Y363 Q364 F367 R370 D407 Q408 Y409 A519	A359-W411 WeakPolarHBondContact O-CZ3 3.44Å; Y362-W411 WeakPolarHBondContact O-CB 3.31Å; Y363-W411 HydrophobicContact CD2-CD2 4.23Å; Y363-W411 AromaticContact CD2-CE2 3.68Å; Y363-W411 HydrophobicContact CD2-CH2 4.42Å; Y363-W411 AromaticContact CD2-CZ2 3.8Å; Y363-W411 HydrophobicContact CD2-CZ2 3.8Å; Y363-W411 AromaticContact CD2-NE1 3.82Å; Q364-W411 PolarHBondContact NE2-O 3.11Å; Q364-W411 PolarHBondContact OE1-O 3.46Å; F367-W411 AromaticContact CD1-CD1 3.85Å; F367-W411 AromaticContact CD1-NE1 3.87Å; F367-W411 AromaticContact CD2-CD1 3.68Å; F367-W411 AromaticContact CD2-NE1 3.98Å; F367-W411 AromaticContact CE1-NE1 3.76Å; F367-W411 AromaticContact CE2-NE1 3.85Å; F367-W411 AromaticContact CG-CD1 3.55Å; F367-W411 AromaticContact CG-NE1 3.97Å; F367-W411 AromaticContact CZ-NE1 3.73Å; R370-W411 PolarHBondContact NH2-O 3.11Å; D407-W411 HydrophobicContact CB-CZ2 3.79Å; D407-W411 PolarHBondContact O-N 3.03Å; D407-W411 PolarHBondContact O-NE1 3.46Å; Q408-W411 HydrophobicContact CG-CE3 4.37Å; Q408-W411 HydrophobicContact CG-CZ3 4.41Å; Q408-W411 PolarHBondContact O-N 2.99Å; Y409-W411 VanDerWaalsContact C-N 3.32Å; Y409-W411 PolarHBondContact O-N 2.85Å; W411-A519 VanDerWaalsContact CH2-O 3.31Å; W411-A519 WeakPolarHBondContact CH2-O 3.4Å; W411-A519 HydrophobicContact CZ2-CB 4.26Å; W411-A519 WeakPolarHBondContact CZ2-O 3.26Å
412	R	91.8	Very high	93.4	Very high	46 Å²	46	33.2 Å²	33.2	17%	0.174	17%	0.172	C	C	.	.	H	α-helix	trans	-85.6	-28	-174.4	-62.6	-177.7	-164.3	-176.5	5	114.2	Y362 Q408 Y409 L470	Y362-R412 HydrophobicContact CD1-CG 3.82Å; Y362-R412 HydrophobicContact CG-CG 4.08Å; Q408-R412 WeakPolarHBondContact O-CG 3.24Å; Q408-R412 PolarHBondContact O-N 3.47Å; Q408-R412 VanDerWaalsContact OE1-NE 3.13Å; Q408-R412 VanDerWaalsContact OE1-NH2 3.1Å; Y409-R412 PolarHBondContact O-N 3.02Å; R412-L470 PolarHBondContact NH1-O 3.11Å; R412-L470 VanDerWaalsContact NH1-O 3.15Å
413	Q	87.2	Confident	93.3	Very high	58 Å²	58	33.7 Å²	33.7	27%	0.271	18%	0.175	S	C	.	.			trans	-88.1	150.7	-176.4	-69.3	-62.3	-49.5	0	0	113.2	R370 H371 Y409 A469	R370-Q413 PolarHBondContact NH2-O 3.24Å; H371-Q413 PolarHBondContact CE1-O 3Å; H371-Q413 PolarHBondContact NE2-O 2.88Å; H371-Q413 VanDerWaalsContact NE2-O 3.08Å; Y409-Q413 HydrophobicContact CD1-CG 4.33Å; Y409-Q413 HydrophobicContact CD2-CG 4.13Å; Y409-Q413 HydrophobicContact CE1-CB 4.37Å; Y409-Q413 HydrophobicContact CE1-CG 4.04Å; Y409-Q413 HydrophobicContact CE2-CG 3.83Å; Y409-Q413 HydrophobicContact CG-CG 4.38Å; Y409-Q413 WeakPolarHBondContact O-CB 3.43Å; Y409-Q413 WeakPolarHBondContact O-CG 3.45Å; Y409-Q413 PolarHBondContact O-N 3.03Å; Q413-A469 HydrophobicContact CG-CB 4.06Å; Q413-A469 VanDerWaalsContact NE2-CB 3.27Å
414	I	76.3	Confident	93.3	Very high	125 Å²	125	33.5 Å²	33.5	64%	0.641	17%	0.174	S	C	*	.	S	Bend	trans	-84.7	-43.5	179.4	-58.8	174.7	0	0	0	110.7	H371	H371-I414 WeakPolarHBondContact CE1-CA 2.99Å; H371-I414 PolarHBondContact CE1-N 3.15Å; H371-I414 VanDerWaalsContact CE1-N 3.28Å; H371-I414 PolarHBondContact CE1-O 2.9Å
415	T	84.1	Confident	93.4	Very high	82 Å²	82	32 Å²	32	50%	0.503	16%	0.163	S	C	.	.			trans	-133	122.2	-172.6	-46.4	0	0	0	0	112.2	H371	H371-T415 VanDerWaalsContact CE1-CA 3.5Å; H371-T415 WeakPolarHBondContact CE1-CA 3.42Å; H371-T415 PolarHBondContact CE1-N 2.94Å
416	L	92.1	Very high	93.4	Very high	4 Å²	4	32 Å²	32	2%	0.021	16%	0.163	C	C	.	.			trans	-133.6	130.3	166.1	175	67.1	0	0	0	107.6	H371 Y409 T410 E420 Y421 L424 F462	H371-L416 HydrophobicContact CB-CB 4.22Å; H371-L416 PolarHBondContact ND1-N 2.92Å; Y409-L416 HydrophobicContact CE1-CD1 4.22Å; T410-L416 HydrophobicContact CG2-CD2 3.97Å; L416-E420 HydrophobicContact CD1-CB 3.69Å; L416-Y421 HydrophobicContact CD2-CD2 3.9Å; L416-L424 HydrophobicContact CD2-CD2 3.58Å; L416-F462 HydrophobicContact CD1-CE2 4.3Å; L416-F462 HydrophobicContact CD1-CZ 3.87Å
417	Y	92.1	Very high	93.4	Very high	150 Å²	150	32 Å²	32	59%	0.588	16%	0.163	S	C	*	.			trans	-78.1	140.2	176.9	-63.5	-72.7	0	0	0	110.3	S419 E420	Y417-S419 PolarHBondContact O-N 2.68Å; Y417-E420 WeakPolarHBondContact CD2-OE2 3.4Å; Y417-E420 PolarHBondContact N-OE2 3.18Å; Y417-E420 VanDerWaalsContact N-OE2 3.12Å; Y417-E420 WeakPolarHBondContact O-CB 3.4Å; Y417-E420 PolarHBondContact O-N 3.4Å
418	P	92.6	Very high	93.6	Very high	44 Å²	44	31.6 Å²	31.6	29%	0.286	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-52.6	-32.4	177.8	-30.2	34.4	0	0	0	114.7	L64 H371 L373 E420 Y421	L64-P418 HydrophobicContact CD1-CB 3.95Å; L64-P418 WeakPolarHBondContact CD2-O 3.43Å; H371-P418 WeakPolarHBondContact O-CD 3.41Å; H371-P418 WeakPolarHBondContact O-CG 3.38Å; L373-P418 HydrophobicContact CD2-CB 4.2Å; P418-E420 VanDerWaalsContact C-N 3.26Å; P418-E420 PolarHBondContact O-N 3.46Å; P418-Y421 WeakPolarHBondContact O-CB 3.48Å; P418-Y421 PolarHBondContact O-N 2.9Å
419	S	92.8	Very high	93.7	Very high	78 Å²	78	31.7 Å²	31.7	55%	0.545	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-67.7	-18.9	175.5	50.3	0	0	0	0	114.8	Y417 Y454	Y417-S419 PolarHBondContact O-N 2.68Å; S419-Y454 PolarHBondContact O-OH 2.89Å
420	E	94.8	Very high	93.8	Very high	45 Å²	45	32.3 Å²	32.3	21%	0.21	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-91.5	-4.9	176.5	-61.9	178.7	123.5	0	0	112.2	L416 Y417 P418 Q422 L423 L424 F462	L416-E420 HydrophobicContact CD1-CB 3.69Å; Y417-E420 WeakPolarHBondContact CD2-OE2 3.4Å; Y417-E420 PolarHBondContact N-OE2 3.18Å; Y417-E420 VanDerWaalsContact N-OE2 3.12Å; Y417-E420 WeakPolarHBondContact O-CB 3.4Å; Y417-E420 PolarHBondContact O-N 3.4Å; P418-E420 VanDerWaalsContact C-N 3.26Å; P418-E420 PolarHBondContact O-N 3.46Å; E420-Q422 PolarHBondContact O-N 3.33Å; E420-L423 CarbonylContact O-C 3.46Å; E420-L423 WeakPolarHBondContact O-CA 3.49Å; E420-L423 WeakPolarHBondContact O-CB 3.32Å; E420-L423 PolarHBondContact O-N 3.47Å; E420-L424 PolarHBondContact O-N 3.34Å; E420-F462 HydrophobicContact CB-CE2 4.2Å
421	Y	96.6	Very high	94	Very high	1 Å²	1	32.5 Å²	32.5	0%	0.004	17%	0.165	C	C	.	.	H	α-helix	trans	-67.8	-35.4	-171	-166.5	-120.8	0	0	0	113.5	L373 V377 R378 L381 V406 T410 L416 P418 L424 G425	L373-Y421 HydrophobicContact CD1-CD1 4.5Å; L373-Y421 HydrophobicContact CD1-CD2 3.45Å; L373-Y421 VanDerWaalsContact CD1-CD2 3.45Å; L373-Y421 HydrophobicContact CD1-CE2 3.53Å; L373-Y421 HydrophobicContact CD1-CG 3.98Å; L373-Y421 HydrophobicContact CD2-CD1 4.16Å; L373-Y421 HydrophobicContact CD2-CD2 4.23Å; L373-Y421 HydrophobicContact CD2-CG 3.89Å; V377-Y421 HydrophobicContact CG1-CD1 3.65Å; V377-Y421 HydrophobicContact CG1-CE1 3.92Å; R378-Y421 WeakPolarHBondContact CG-OH 3.48Å; L381-Y421 HydrophobicContact CB-CD1 4.24Å; L381-Y421 HydrophobicContact CB-CE1 3.73Å; L381-Y421 HydrophobicContact CD2-CD1 3.77Å; L381-Y421 HydrophobicContact CD2-CD2 4.43Å; L381-Y421 HydrophobicContact CD2-CE1 3.4Å; L381-Y421 HydrophobicContact CD2-CE2 4.1Å; L381-Y421 HydrophobicContact CD2-CG 4.28Å; L381-Y421 HydrophobicContact CG-CE1 4.17Å; V406-Y421 HydrophobicContact CG1-CE2 3.98Å; T410-Y421 HydrophobicContact CG2-CE2 4.22Å; L416-Y421 HydrophobicContact CD2-CD2 3.9Å; P418-Y421 WeakPolarHBondContact O-CB 3.48Å; P418-Y421 PolarHBondContact O-N 2.9Å; Y421-L424 HydrophobicContact CD2-CD2 4.17Å; Y421-L424 HydrophobicContact CE2-CD2 4.23Å; Y421-L424 PolarHBondContact O-N 3.23Å; Y421-G425 PolarHBondContact O-N 2.86Å
422	Q	96.7	Very high	94.2	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-70.2	-33.4	170.6	-173.5	172.6	24.6	0	0	111.9	S67 F68 E420 G425 V426 T450 Y454	S67-Q422 PolarHBondContact O-NE2 3.01Å; S67-Q422 PolarHBondContact OG-OE1 3.22Å; F68-Q422 HydrophobicContact CD1-CG 4.42Å; F68-Q422 HydrophobicContact CE1-CB 3.86Å; F68-Q422 HydrophobicContact CE1-CG 3.61Å; F68-Q422 HydrophobicContact CZ-CB 3.8Å; F68-Q422 HydrophobicContact CZ-CG 4.08Å; E420-Q422 PolarHBondContact O-N 3.33Å; Q422-G425 PolarHBondContact O-N 3.39Å; Q422-V426 PolarHBondContact O-N 3.22Å; Q422-T450 HydrophobicContact CG-CG2 4.21Å; Q422-Y454 HydrophobicContact CB-CE2 3.94Å; Q422-Y454 HydrophobicContact CG-CE2 3.99Å
423	L	97.7	Very high	94.4	Very high	10 Å²	10	29.7 Å²	29.7	5%	0.052	16%	0.155	C	C	.	.	H	α-helix	trans	-63.8	-44.4	172.8	-178.2	56.7	0	0	0	111.3	E420 G425 V426 T427 Y454 Q458 V459 F462	E420-L423 CarbonylContact O-C 3.46Å; E420-L423 WeakPolarHBondContact O-CA 3.49Å; E420-L423 WeakPolarHBondContact O-CB 3.32Å; E420-L423 PolarHBondContact O-N 3.47Å; L423-G425 VanDerWaalsContact C-N 3.35Å; L423-G425 PolarHBondContact O-N 3.24Å; L423-V426 HydrophobicContact CD1-CG1 4.18Å; L423-V426 WeakPolarHBondContact O-CG1 3.42Å; L423-V426 PolarHBondContact O-N 2.83Å; L423-T427 WeakPolarHBondContact O-CB 3.44Å; L423-T427 PolarHBondContact O-N 3.44Å; L423-T427 PolarHBondContact O-OG1 3.12Å; L423-Y454 HydrophobicContact CB-CD1 4.03Å; L423-Y454 HydrophobicContact CB-CD2 4.33Å; L423-Y454 HydrophobicContact CB-CE1 3.74Å; L423-Y454 HydrophobicContact CB-CE2 4.05Å; L423-Y454 HydrophobicContact CB-CG 4.31Å; L423-Y454 HydrophobicContact CD1-CD1 4.09Å; L423-Y454 HydrophobicContact CD1-CD2 4.33Å; L423-Y454 HydrophobicContact CD1-CG 3.9Å; L423-Y454 HydrophobicContact CD2-CD1 4.15Å; L423-Y454 HydrophobicContact CD2-CE1 4.33Å; L423-Y454 HydrophobicContact CG-CD1 4.32Å; L423-Y454 HydrophobicContact CG-CE1 4.46Å; L423-Y454 PolarHBondContact N-OH 3.19Å; L423-Q458 HydrophobicContact CD1-CB 4.42Å; L423-Q458 HydrophobicContact CD2-CB 4.34Å; L423-V459 HydrophobicContact CD1-CG2 3.97Å; L423-F462 HydrophobicContact CD2-CB 4.17Å; L423-F462 HydrophobicContact CD2-CD2 3.62Å; L423-F462 HydrophobicContact CD2-CE2 4.36Å; L423-F462 HydrophobicContact CD2-CG 4.13Å; L423-F462 HydrophobicContact CG-CB 4.12Å; L423-F462 HydrophobicContact CG-CD2 3.87Å; L423-F462 HydrophobicContact CG-CG 4Å
424	L	97.9	Very high	94.9	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-56.9	-47.9	171.7	170.4	62.1	0	0	0	111	V406 Y409 T410 L416 E420 Y421 T427 A428 F462 M466	V406-L424 HydrophobicContact CG1-CD2 3.95Å; V406-L424 HydrophobicContact CG1-CG 4.25Å; V406-L424 HydrophobicContact CG2-CG 4.27Å; Y409-L424 HydrophobicContact CD1-CD1 3.67Å; Y409-L424 HydrophobicContact CD1-CD2 3.74Å; Y409-L424 HydrophobicContact CD1-CG 4.36Å; Y409-L424 HydrophobicContact CE1-CD1 4.29Å; Y409-L424 HydrophobicContact CE1-CD2 4.42Å; Y409-L424 HydrophobicContact CG-CD1 3.79Å; Y409-L424 HydrophobicContact CG-CD2 4.48Å; T410-L424 HydrophobicContact CG2-CD2 3.79Å; L416-L424 HydrophobicContact CD2-CD2 3.58Å; E420-L424 PolarHBondContact O-N 3.34Å; Y421-L424 HydrophobicContact CD2-CD2 4.17Å; Y421-L424 HydrophobicContact CE2-CD2 4.23Å; Y421-L424 PolarHBondContact O-N 3.23Å; L424-T427 PolarHBondContact O-N 3.38Å; L424-A428 VanDerWaalsContact O-CB 3.27Å; L424-A428 WeakPolarHBondContact O-CB 3.36Å; L424-A428 PolarHBondContact O-N 3.2Å; L424-F462 HydrophobicContact CB-CE1 3.93Å; L424-F462 HydrophobicContact CB-CZ 4.03Å; L424-F462 HydrophobicContact CD1-CE1 3.79Å; L424-F462 HydrophobicContact CD1-CZ 4.46Å; L424-F462 HydrophobicContact CG-CE1 4.45Å; L424-M466 HydrophobicContact CD1-CE 3.81Å; L424-M466 HydrophobicContact CD1-SD 3.65Å
425	G	98.1	Very high	95.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.1	-45.6	179.7	0	0	0	0	0	114.4	Y421 Q422 L423 A428 I429	Y421-G425 PolarHBondContact O-N 2.86Å; Q422-G425 PolarHBondContact O-N 3.39Å; L423-G425 VanDerWaalsContact C-N 3.35Å; L423-G425 PolarHBondContact O-N 3.24Å; G425-A428 PolarHBondContact O-N 3.46Å; G425-I429 WeakPolarHBondContact O-CG1 3.36Å; G425-I429 PolarHBondContact O-N 3.37Å; G425-I429 VanDerWaalsContact O-N 3.1Å
426	V	97.9	Very high	96.3	Very high	1 Å²	1	27 Å²	27	1%	0.006	13%	0.132	C	C	.	.	H	α-helix	trans	-69.5	-35.2	178.2	73.6	0	0	0	0	112.1	W384 Q422 L423 I429 F430 L446 T450 V459	W384-V426 HydrophobicContact CH2-CB 4.1Å; W384-V426 HydrophobicContact CH2-CG2 4.37Å; Q422-V426 PolarHBondContact O-N 3.22Å; L423-V426 HydrophobicContact CD1-CG1 4.18Å; L423-V426 WeakPolarHBondContact O-CG1 3.42Å; L423-V426 PolarHBondContact O-N 2.83Å; V426-I429 PolarHBondContact O-N 3.47Å; V426-F430 PolarHBondContact O-N 3.41Å; V426-L446 HydrophobicContact CG2-CB 3.66Å; V426-T450 HydrophobicContact CB-CG2 3.95Å; V426-T450 HydrophobicContact CG1-CG2 4.14Å; V426-T450 HydrophobicContact CG2-CG2 3.95Å; V426-V459 HydrophobicContact CG1-CG2 4.3Å
427	T	98.2	Very high	96.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-69.3	-38.9	174.6	-62.8	0	0	0	0	111.8	L423 L424 I429 F430 I431 F462 E463 M466	L423-T427 WeakPolarHBondContact O-CB 3.44Å; L423-T427 PolarHBondContact O-N 3.44Å; L423-T427 PolarHBondContact O-OG1 3.12Å; L424-T427 PolarHBondContact O-N 3.38Å; T427-I429 VanDerWaalsContact C-N 3.32Å; T427-I429 PolarHBondContact O-N 3.19Å; T427-F430 WeakPolarHBondContact O-CA 3.24Å; T427-F430 WeakPolarHBondContact O-CB 3.23Å; T427-F430 PolarHBondContact O-N 2.83Å; T427-I431 HydrophobicContact CG2-CD1 4.17Å; T427-I431 PolarHBondContact O-N 3.41Å; T427-F462 HydrophobicContact CG2-CB 4.37Å; T427-F462 HydrophobicContact CG2-CD1 4.11Å; T427-E463 VanDerWaalsContact CG2-CA 3.48Å; T427-E463 HydrophobicContact CG2-CB 3.84Å; T427-M466 HydrophobicContact CG2-SD 4.12Å
428	A	98.5	Very high	96.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.8	-39.8	173.7	0	0	0	0	0	111.8	A402 L405 V406 L424 G425 A432 M466	A402-A428 HydrophobicContact CB-CB 4.44Å; A402-A428 WeakPolarHBondContact O-CB 3.38Å; L405-A428 HydrophobicContact CB-CB 4.17Å; V406-A428 HydrophobicContact CG2-CB 3.54Å; L424-A428 VanDerWaalsContact O-CB 3.27Å; L424-A428 WeakPolarHBondContact O-CB 3.36Å; L424-A428 PolarHBondContact O-N 3.2Å; G425-A428 PolarHBondContact O-N 3.46Å; A428-A432 VanDerWaalsContact O-CB 3.26Å; A428-A432 WeakPolarHBondContact O-CB 3.39Å; A428-A432 PolarHBondContact O-N 3.49Å; A428-M466 HydrophobicContact CB-CE 3.82Å; A428-M466 HydrophobicContact CB-SD 4.37Å
429	I	98.3	Very high	96.4	Very high	7 Å²	7	36.4 Å²	36.4	4%	0.036	17%	0.167	C	C	.	.	H	α-helix	trans	-60.2	-46.4	169.5	-68.9	170.9	0	0	0	110.3	W384 M385 V388 L394 A402 G425 V426 T427 I431 A432 V433 L446	W384-I429 HydrophobicContact CZ3-CD1 4.28Å; M385-I429 HydrophobicContact CB-CD1 4.31Å; M385-I429 HydrophobicContact CE-CD1 4.3Å; M385-I429 HydrophobicContact CE-CG1 3.93Å; M385-I429 HydrophobicContact CG-CD1 4.02Å; V388-I429 HydrophobicContact CB-CD1 4.25Å; V388-I429 HydrophobicContact CG1-CD1 3.78Å; L394-I429 HydrophobicContact CD1-CG2 4.22Å; A402-I429 HydrophobicContact CB-CB 4.48Å; A402-I429 HydrophobicContact CB-CG1 3.84Å; G425-I429 WeakPolarHBondContact O-CG1 3.36Å; G425-I429 PolarHBondContact O-N 3.37Å; G425-I429 VanDerWaalsContact O-N 3.1Å; V426-I429 PolarHBondContact O-N 3.47Å; T427-I429 VanDerWaalsContact C-N 3.32Å; T427-I429 PolarHBondContact O-N 3.19Å; I429-I431 PolarHBondContact O-N 3.49Å; I429-A432 PolarHBondContact O-N 3.22Å; I429-V433 HydrophobicContact CG2-CG1 4.16Å; I429-V433 WeakPolarHBondContact O-CG1 3.37Å; I429-V433 VanDerWaalsContact O-CG2 3.29Å; I429-V433 WeakPolarHBondContact O-CG2 3.37Å; I429-V433 PolarHBondContact O-N 3.07Å; I429-L446 HydrophobicContact CG2-CD2 4.07Å
430	F	98	Very high	96.4	Very high	13 Å²	13	35.4 Å²	35.4	6%	0.057	16%	0.159	C	C	.	.	H	α-helix	trans	-60.8	-42.5	-179.3	-173.1	-124.7	0	0	0	113.3	V426 T427 V433 K434 T443 L446 V459 L460 E463	V426-F430 PolarHBondContact O-N 3.41Å; T427-F430 WeakPolarHBondContact O-CA 3.24Å; T427-F430 WeakPolarHBondContact O-CB 3.23Å; T427-F430 PolarHBondContact O-N 2.83Å; F430-V433 WeakPolarHBondContact O-CG2 3.26Å; F430-K434 HydrophobicContact CE1-CD 4.21Å; F430-K434 HydrophobicContact CE2-CD 4.11Å; F430-K434 HydrophobicContact CE2-CG 4.4Å; F430-K434 HydrophobicContact CZ-CD 3.87Å; F430-K434 WeakPolarHBondContact O-CG 3.45Å; F430-K434 PolarHBondContact O-N 3.2Å; F430-T443 WeakPolarHBondContact CE2-OG1 3.42Å; F430-T443 WeakPolarHBondContact CZ-OG1 3.3Å; F430-L446 HydrophobicContact CB-CD1 3.58Å; F430-L446 HydrophobicContact CD2-CD1 3.61Å; F430-L446 HydrophobicContact CG-CD1 3.97Å; F430-V459 HydrophobicContact CB-CG1 4.34Å; F430-V459 HydrophobicContact CD1-CG1 4.16Å; F430-V459 HydrophobicContact CG-CG1 4.37Å; F430-L460 HydrophobicContact CE1-CD2 3.89Å; F430-L460 HydrophobicContact CZ-CD2 4.41Å; F430-E463 WeakPolarHBondContact CD1-OE1 3.11Å; F430-E463 WeakPolarHBondContact CE1-OE2 3.29Å
431	I	98.2	Very high	96.4	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.026	16%	0.155	C	C	.	.	H	α-helix	trans	-64.3	-50.7	174.1	-67.9	165.7	0	0	0	109.8	L405 T427 I429 V433 K434 F435 E463 M466 L467 I474	L405-I431 HydrophobicContact CD1-CB 4.23Å; L405-I431 HydrophobicContact CD1-CG2 3.8Å; T427-I431 HydrophobicContact CG2-CD1 4.17Å; T427-I431 PolarHBondContact O-N 3.41Å; I429-I431 PolarHBondContact O-N 3.49Å; I431-V433 PolarHBondContact O-N 3.32Å; I431-K434 PolarHBondContact O-N 3.3Å; I431-F435 PolarHBondContact O-N 2.85Å; I431-E463 HydrophobicContact CD1-CG 4.22Å; I431-E463 HydrophobicContact CG1-CG 3.97Å; I431-E463 VanDerWaalsContact CG1-OE1 3.32Å; I431-E463 WeakPolarHBondContact CG1-OE1 3.27Å; I431-M466 HydrophobicContact CD1-CB 4.1Å; I431-M466 HydrophobicContact CD1-CE 4.4Å; I431-M466 HydrophobicContact CD1-CG 3.88Å; I431-M466 HydrophobicContact CD1-SD 3.61Å; I431-L467 HydrophobicContact CD1-CD2 4.15Å; I431-L467 HydrophobicContact CD1-CG 4.1Å; I431-L467 HydrophobicContact CG1-CD2 4.48Å; I431-L467 HydrophobicContact CG2-CD2 4.08Å; I431-I474 HydrophobicContact CG2-CD1 4.05Å
432	A	97.9	Very high	96.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.1	-43.2	-177.2	0	0	0	0	0	112.6	S398 L401 A402 L405 A428 I429 K434 F435 V436	S398-A432 VanDerWaalsContact O-CB 3.29Å; S398-A432 WeakPolarHBondContact O-CB 3.19Å; L401-A432 HydrophobicContact CB-CB 4.1Å; L401-A432 HydrophobicContact CD2-CB 4.05Å; L401-A432 HydrophobicContact CG-CB 4.01Å; A402-A432 HydrophobicContact CB-CB 3.88Å; L405-A432 HydrophobicContact CD1-CB 4.28Å; A428-A432 VanDerWaalsContact O-CB 3.26Å; A428-A432 WeakPolarHBondContact O-CB 3.39Å; A428-A432 PolarHBondContact O-N 3.49Å; I429-A432 PolarHBondContact O-N 3.22Å; A432-K434 PolarHBondContact O-N 2.97Å; A432-F435 PolarHBondContact O-N 3.46Å; A432-V436 VanDerWaalsContact O-CB 3.27Å; A432-V436 WeakPolarHBondContact O-CB 3.41Å; A432-V436 VanDerWaalsContact O-CG2 3.3Å; A432-V436 WeakPolarHBondContact O-CG2 3.4Å; A432-V436 PolarHBondContact O-N 2.69Å
433	V	97.4	Very high	96.2	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-67.9	-33	177.8	-62.2	0	0	0	0	112.6	L394 I429 F430 I431 F435 E437 P440 P441	L394-V433 HydrophobicContact CD1-CG1 3.53Å; L394-V433 HydrophobicContact CD2-CG1 3.75Å; L394-V433 HydrophobicContact CG-CG1 4.19Å; I429-V433 HydrophobicContact CG2-CG1 4.16Å; I429-V433 WeakPolarHBondContact O-CG1 3.37Å; I429-V433 VanDerWaalsContact O-CG2 3.29Å; I429-V433 WeakPolarHBondContact O-CG2 3.37Å; I429-V433 PolarHBondContact O-N 3.07Å; F430-V433 WeakPolarHBondContact O-CG2 3.26Å; I431-V433 PolarHBondContact O-N 3.32Å; V433-F435 VanDerWaalsContact C-N 3.29Å; V433-F435 PolarHBondContact O-N 3.39Å; V433-E437 HydrophobicContact CB-CB 4.42Å; V433-E437 HydrophobicContact CB-CG 3.9Å; V433-E437 HydrophobicContact CG1-CG 4.07Å; V433-E437 WeakPolarHBondContact O-CA 3.1Å; V433-E437 WeakPolarHBondContact O-CB 3.37Å; V433-E437 PolarHBondContact O-N 2.87Å; V433-P440 HydrophobicContact CB-CB 4.2Å; V433-P440 HydrophobicContact CG2-CB 3.88Å; V433-P441 HydrophobicContact CG2-CG 3.98Å
434	K	96.7	Very high	96.1	Very high	84 Å²	84	45.1 Å²	45.1	37%	0.365	22%	0.215	S	C	.	.	H	α-helix	trans	-69.4	-27.9	173.7	-75.1	-168.8	-61.8	174.2	0	113	F430 I431 A432 P440 E463	F430-K434 HydrophobicContact CE1-CD 4.21Å; F430-K434 HydrophobicContact CE2-CD 4.11Å; F430-K434 HydrophobicContact CE2-CG 4.4Å; F430-K434 HydrophobicContact CZ-CD 3.87Å; F430-K434 WeakPolarHBondContact O-CG 3.45Å; F430-K434 PolarHBondContact O-N 3.2Å; I431-K434 PolarHBondContact O-N 3.3Å; A432-K434 PolarHBondContact O-N 2.97Å; K434-P440 HydrophobicContact CG-CB 4.04Å; K434-P440 HydrophobicContact CG-CG 4.15Å; K434-E463 WeakPolarHBondContact CE-OE1 3.48Å; K434-E463 IonicContact NZ-OE1 2.66Å; K434-E463 PolarHBondContact NZ-OE1 3.31Å; K434-E463 IonicContact NZ-OE2 3.8Å; K434-E463 PolarHBondContact NZ-OE2 3.22Å
435	F	95.5	Very high	96	Very high	101 Å²	101	48.7 Å²	48.7	44%	0.443	23%	0.234	S	C	.	.	H	α-helix	trans	-81.7	-40.6	176.1	-170.8	-102.6	0	0	0	112.6	L401 I431 A432 V433 I474 N475	L401-F435 HydrophobicContact CD2-CB 4.28Å; L401-F435 HydrophobicContact CD2-CD1 3.62Å; L401-F435 HydrophobicContact CD2-CE1 4.42Å; L401-F435 HydrophobicContact CD2-CG 4.28Å; I431-F435 PolarHBondContact O-N 2.85Å; A432-F435 PolarHBondContact O-N 3.46Å; V433-F435 VanDerWaalsContact C-N 3.29Å; V433-F435 PolarHBondContact O-N 3.39Å; F435-I474 HydrophobicContact CB-CD1 4.41Å; F435-I474 HydrophobicContact CD2-CD1 3.81Å; F435-I474 HydrophobicContact CD2-CG1 4.34Å; F435-I474 HydrophobicContact CE2-CD1 4.39Å; F435-I474 HydrophobicContact CE2-CG1 4.46Å; F435-I474 HydrophobicContact CG-CD1 4.2Å; F435-N475 VanDerWaalsContact CZ-OD1 3.22Å; F435-N475 WeakPolarHBondContact CZ-OD1 3.25Å
436	V	93.8	Very high	95.9	Very high	22 Å²	22	48.8 Å²	48.8	13%	0.133	23%	0.234	C	C	.	.	H	α-helix	trans	-103.2	-35.4	-167.1	-178.1	0	0	0	0	113.1	R395 E397 S398 L401 A432	R395-V436 PolarHBondContact NH2-O 3.09Å; E397-V436 HydrophobicContact CB-CG1 4.06Å; S398-V436 WeakPolarHBondContact OG-CB 3.28Å; S398-V436 WeakPolarHBondContact OG-CG1 3.34Å; L401-V436 HydrophobicContact CD2-CG2 3.6Å; A432-V436 VanDerWaalsContact O-CB 3.27Å; A432-V436 WeakPolarHBondContact O-CB 3.41Å; A432-V436 VanDerWaalsContact O-CG2 3.3Å; A432-V436 WeakPolarHBondContact O-CG2 3.4Å; A432-V436 PolarHBondContact O-N 2.69Å
437	E	93.7	Very high	95.8	Very high	38 Å²	38	49 Å²	49	18%	0.178	24%	0.235	C	C	.	.			trans	-87.4	142.4	-175.7	-59.9	-60.9	166.6	0	0	113.2	L394 R395 S398 V433 F439	L394-E437 WeakPolarHBondContact CA-OE1 3.46Å; L394-E437 HydrophobicContact CD2-CG 4.18Å; R395-E437 PolarHBondContact N-OE1 2.92Å; R395-E437 IonicContact NE-OE2 2.98Å; S398-E437 PolarHBondContact OG-OE1 3.05Å; V433-E437 HydrophobicContact CB-CB 4.42Å; V433-E437 HydrophobicContact CB-CG 3.9Å; V433-E437 HydrophobicContact CG1-CG 4.07Å; V433-E437 WeakPolarHBondContact O-CA 3.1Å; V433-E437 WeakPolarHBondContact O-CB 3.37Å; V433-E437 PolarHBondContact O-N 2.87Å; E437-F439 VanDerWaalsContact C-N 3.25Å; E437-F439 PolarHBondContact O-N 3.24Å
438	R	93.6	Very high	95.7	Very high	195 Å²	195	53.4 Å²	53.4	74%	0.736	25%	0.253	S	S	*	.	S	Bend	trans	-65.6	-31.5	171.5	-179.8	177.5	173.2	169.8	1	112.6
439	F	92	Very high	95.5	Very high	163 Å²	163	54 Å²	54	72%	0.715	26%	0.256	S	S	*	.	S	Bend	trans	-137.7	81.3	-177.3	-61.4	-63.6	0	0	0	108.5	E437	E437-F439 VanDerWaalsContact C-N 3.25Å; E437-F439 PolarHBondContact O-N 3.24Å
440	P	93.8	Very high	95.2	Very high	58 Å²	58	53.7 Å²	53.7	38%	0.377	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-61.7	144.7	179.6	24	-33.6	0	0	0	111.6	V433 K434	V433-P440 HydrophobicContact CB-CB 4.2Å; V433-P440 HydrophobicContact CG2-CB 3.88Å; K434-P440 HydrophobicContact CG-CB 4.04Å; K434-P440 HydrophobicContact CG-CG 4.15Å
441	P	94.2	Very high	95.1	Very high	20 Å²	20	58 Å²	58	13%	0.13	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-61.6	145.8	170.9	27.9	-36.3	0	0	0	111.1	L392 V433 I445 L446	L392-P441 HydrophobicContact CD1-CG 4.33Å; V433-P441 HydrophobicContact CG2-CG 3.98Å; P441-I445 HydrophobicContact CB-CB 4.49Å; P441-I445 HydrophobicContact CB-CD1 4.34Å; P441-L446 HydrophobicContact CG-CD2 4.2Å; P441-L446 HydrophobicContact CG-CG 4.49Å
442	A	94.3	Very high	94.8	Very high	61 Å²	61	63 Å²	63	50%	0.504	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-67.4	144.6	171.9	0	0	0	0	0	110.8	K444 I445	A442-K444 PolarHBondContact O-N 3.27Å; A442-I445 WeakPolarHBondContact O-CB 3.31Å; A442-I445 PolarHBondContact O-N 3.12Å
443	T	95.1	Very high	94.6	Very high	21 Å²	21	65.8 Å²	65.8	13%	0.129	32%	0.321	C	S	.	.	H	α-helix	trans	-51.1	-34.8	-177.3	-40.3	0	0	0	0	113.4	F430 I445 L446 C447 V459	F430-T443 WeakPolarHBondContact CE2-OG1 3.42Å; F430-T443 WeakPolarHBondContact CZ-OG1 3.3Å; T443-I445 VanDerWaalsContact C-N 3.27Å; T443-I445 PolarHBondContact O-N 3.05Å; T443-L446 WeakPolarHBondContact O-CB 3.21Å; T443-L446 PolarHBondContact O-N 2.7Å; T443-C447 PolarHBondContact O-N 3.12Å; T443-C447 PolarHBondContact O-SG 3.07Å; T443-V459 HydrophobicContact CG2-CB 3.78Å; T443-V459 HydrophobicContact CG2-CG1 3.73Å; T443-V459 HydrophobicContact CG2-CG2 4.32Å
444	K	95.7	Very high	94.5	Very high	159 Å²	159	67.1 Å²	67.1	69%	0.691	33%	0.326	S	S	*	.	H	α-helix	trans	-57.1	-35.9	175.8	-65.6	-174.6	177	-175.1	0	113.6	A442 L446 Y448	A442-K444 PolarHBondContact O-N 3.27Å; K444-L446 VanDerWaalsContact C-N 3.31Å; K444-Y448 PolarHBondContact O-N 2.82Å; K444-Y448 VanDerWaalsContact O-N 3.12Å
445	I	95.4	Very high	94.5	Very high	75 Å²	75	67.2 Å²	67.2	39%	0.385	33%	0.331	S	S	.	.	H	α-helix	trans	-69	-35.7	177.7	-59.1	174.2	0	0	0	110	L392 P441 A442 T443 L449	L392-I445 HydrophobicContact CD2-CG2 3.69Å; P441-I445 HydrophobicContact CB-CB 4.49Å; P441-I445 HydrophobicContact CB-CD1 4.34Å; A442-I445 WeakPolarHBondContact O-CB 3.31Å; A442-I445 PolarHBondContact O-N 3.12Å; T443-I445 VanDerWaalsContact C-N 3.27Å; T443-I445 PolarHBondContact O-N 3.05Å; I445-L449 WeakPolarHBondContact O-CG 3.19Å; I445-L449 PolarHBondContact O-N 2.62Å
446	L	94.7	Very high	94.6	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-72.5	-38.2	177.8	-60.6	-178.8	0	0	0	111.9	L392 V426 I429 F430 P441 T443 K444 L449 T450	L392-L446 HydrophobicContact CD1-CD2 3.71Å; V426-L446 HydrophobicContact CG2-CB 3.66Å; I429-L446 HydrophobicContact CG2-CD2 4.07Å; F430-L446 HydrophobicContact CB-CD1 3.58Å; F430-L446 HydrophobicContact CD2-CD1 3.61Å; F430-L446 HydrophobicContact CG-CD1 3.97Å; P441-L446 HydrophobicContact CG-CD2 4.2Å; P441-L446 HydrophobicContact CG-CG 4.49Å; T443-L446 WeakPolarHBondContact O-CB 3.21Å; T443-L446 PolarHBondContact O-N 2.7Å; K444-L446 VanDerWaalsContact C-N 3.31Å; L446-L449 PolarHBondContact O-N 2.77Å; L446-T450 PolarHBondContact O-N 3.26Å
447	C	96.3	Very high	94.7	Very high	5 Å²	5	69.8 Å²	69.8	3%	0.034	35%	0.345	C	S	.	.	H	α-helix	trans	-59.5	-46.8	172.7	-59	0	0	0	0	111.4	T443 L449 T450 D452 Y454 S456	T443-C447 PolarHBondContact O-N 3.12Å; T443-C447 PolarHBondContact O-SG 3.07Å; C447-L449 VanDerWaalsContact C-N 3.26Å; C447-L449 PolarHBondContact O-N 2.87Å; C447-T450 CarbonylContact O-C 3.56Å; C447-T450 WeakPolarHBondContact O-CA 3.43Å; C447-T450 PolarHBondContact O-N 2.83Å; C447-T450 PolarHBondContact O-OG1 3.1Å; C447-D452 WeakPolarHBondContact O-CA 3.47Å; C447-D452 PolarHBondContact O-N 3.24Å; C447-D452 VanDerWaalsContact O-N 3.08Å; C447-Y454 VanDerWaalsContact CB-O 3.28Å; C447-Y454 WeakPolarHBondContact CB-O 3.44Å; C447-Y454 PolarHBondContact SG-O 3.16Å; C447-S456 PolarHBondContact SG-N 2.73Å; C447-S456 VanDerWaalsContact SG-N 3.42Å
448	Y	95.8	Very high	94.9	Very high	94 Å²	94	71.5 Å²	71.5	37%	0.369	35%	0.353	S	S	.	.	H	α-helix	trans	-57.3	-36	175.5	173.8	-102.8	0	0	0	113.1	P72 K444 T450 E451 D452	P72-Y448 HydrophobicContact CG-CE1 3.86Å; P72-Y448 HydrophobicContact CG-CE2 4.14Å; P72-Y448 VanDerWaalsContact CG-CZ 3.46Å; P72-Y448 WeakPolarHBondContact CG-OH 3.4Å; K444-Y448 PolarHBondContact O-N 2.82Å; K444-Y448 VanDerWaalsContact O-N 3.12Å; Y448-T450 PolarHBondContact O-N 3.49Å; Y448-E451 PolarHBondContact O-N 3.23Å; Y448-E451 VanDerWaalsContact O-N 3.12Å; Y448-D452 PolarHBondContact N-OD1 2.76Å
449	L	94.8	Very high	95.1	Very high	11 Å²	11	62.2 Å²	62.2	6%	0.058	32%	0.318	C	S	.	.	H	α-helix	trans	-72.6	-12.5	175.5	-69.5	178.7	0	0	0	114.2	F71 W384 V388 Y391 L392 I445 L446 C447 E451	F71-L449 HydrophobicContact CD1-CD2 4.18Å; F71-L449 HydrophobicContact CE1-CD2 3.8Å; W384-L449 WeakPolarHBondContact CZ2-O 3.32Å; V388-L449 HydrophobicContact CG1-CD1 3.83Å; V388-L449 HydrophobicContact CG2-CD1 4.3Å; Y391-L449 HydrophobicContact CD1-CD1 4.22Å; Y391-L449 HydrophobicContact CD1-CD2 3.75Å; Y391-L449 HydrophobicContact CE1-CD2 3.79Å; Y391-L449 HydrophobicContact CG-CD2 4.42Å; L392-L449 HydrophobicContact CD1-CD1 3.74Å; L392-L449 HydrophobicContact CD2-CD1 4Å; L392-L449 HydrophobicContact CG-CD1 3.83Å; I445-L449 WeakPolarHBondContact O-CG 3.19Å; I445-L449 PolarHBondContact O-N 2.62Å; L446-L449 PolarHBondContact O-N 2.77Å; C447-L449 VanDerWaalsContact C-N 3.26Å; C447-L449 PolarHBondContact O-N 2.87Å; L449-E451 VanDerWaalsContact C-N 3.35Å
450	T	93.2	Very high	95.3	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.006	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	19.9	168.6	61.9	0	0	0	0	112.6	W384 Q422 V426 L446 C447 Y448 D452 S453 Y454	W384-T450 HydrophobicContact CH2-CG2 3.99Å; W384-T450 HydrophobicContact CZ2-CG2 3.95Å; Q422-T450 HydrophobicContact CG-CG2 4.21Å; V426-T450 HydrophobicContact CB-CG2 3.95Å; V426-T450 HydrophobicContact CG1-CG2 4.14Å; V426-T450 HydrophobicContact CG2-CG2 3.95Å; L446-T450 PolarHBondContact O-N 3.26Å; C447-T450 CarbonylContact O-C 3.56Å; C447-T450 WeakPolarHBondContact O-CA 3.43Å; C447-T450 PolarHBondContact O-N 2.83Å; C447-T450 PolarHBondContact O-OG1 3.1Å; Y448-T450 PolarHBondContact O-N 3.49Å; T450-D452 PolarHBondContact O-N 2.97Å; T450-S453 WeakPolarHBondContact O-CB 3.5Å; T450-S453 PolarHBondContact O-N 3.27Å; T450-S453 PolarHBondContact O-OG 3.08Å; T450-Y454 HydrophobicContact CG2-CD2 4.16Å
451	E	94.2	Very high	95.5	Very high	104 Å²	104	59.8 Å²	59.8	49%	0.486	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	34.6	-173.8	-60.3	174.3	-152	0	0	112.1	Y448 L449 S453	Y448-E451 PolarHBondContact O-N 3.23Å; Y448-E451 VanDerWaalsContact O-N 3.12Å; L449-E451 VanDerWaalsContact C-N 3.35Å; E451-S453 PolarHBondContact O-N 3.04Å; E451-S453 VanDerWaalsContact O-N 3.12Å
452	D	92.7	Very high	95.6	Very high	109 Å²	109	59.3 Å²	59.3	58%	0.583	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	22.4	-173.6	-63.2	-53.3	0	0	0	114.9	C447 Y448 T450 Y454	C447-D452 WeakPolarHBondContact O-CA 3.47Å; C447-D452 PolarHBondContact O-N 3.24Å; C447-D452 VanDerWaalsContact O-N 3.08Å; Y448-D452 PolarHBondContact N-OD1 2.76Å; T450-D452 PolarHBondContact O-N 2.97Å; D452-Y454 PolarHBondContact O-N 3.36Å; D452-Y454 VanDerWaalsContact O-N 3.11Å
453	S	94.1	Very high	95.8	Very high	60 Å²	60	57.3 Å²	57.3	42%	0.42	29%	0.285	S	S	.	.	S	Bend	trans	-57	-24.3	172.4	-61.5	0	0	0	0	113.3	T450 E451	T450-S453 WeakPolarHBondContact O-CB 3.5Å; T450-S453 PolarHBondContact O-N 3.27Å; T450-S453 PolarHBondContact O-OG 3.08Å; E451-S453 PolarHBondContact O-N 3.04Å; E451-S453 VanDerWaalsContact O-N 3.12Å
454	Y	95.6	Very high	95.9	Very high	27 Å²	27	62.3 Å²	62.3	11%	0.106	31%	0.305	C	S	.	.	S	Bend	trans	-133.7	140.7	176	-48.6	-75	0	0	0	110.5	S419 Q422 L423 C447 T450 D452	S419-Y454 PolarHBondContact O-OH 2.89Å; Q422-Y454 HydrophobicContact CB-CE2 3.94Å; Q422-Y454 HydrophobicContact CG-CE2 3.99Å; L423-Y454 HydrophobicContact CB-CD1 4.03Å; L423-Y454 HydrophobicContact CB-CD2 4.33Å; L423-Y454 HydrophobicContact CB-CE1 3.74Å; L423-Y454 HydrophobicContact CB-CE2 4.05Å; L423-Y454 HydrophobicContact CB-CG 4.31Å; L423-Y454 HydrophobicContact CD1-CD1 4.09Å; L423-Y454 HydrophobicContact CD1-CD2 4.33Å; L423-Y454 HydrophobicContact CD1-CG 3.9Å; L423-Y454 HydrophobicContact CD2-CD1 4.15Å; L423-Y454 HydrophobicContact CD2-CE1 4.33Å; L423-Y454 HydrophobicContact CG-CD1 4.32Å; L423-Y454 HydrophobicContact CG-CE1 4.46Å; L423-Y454 PolarHBondContact N-OH 3.19Å; C447-Y454 VanDerWaalsContact CB-O 3.28Å; C447-Y454 WeakPolarHBondContact CB-O 3.44Å; C447-Y454 PolarHBondContact SG-O 3.16Å; T450-Y454 HydrophobicContact CG2-CD2 4.16Å; D452-Y454 PolarHBondContact O-N 3.36Å; D452-Y454 VanDerWaalsContact O-N 3.11Å
455	N	96.2	Very high	95.9	Very high	87 Å²	87	58.2 Å²	58.2	47%	0.465	29%	0.287	S	S	.	.			trans	-90.3	164	174.1	68.4	59.5	0	0	0	112.1	K457 Q458 V459	N455-K457 PolarHBondContact O-N 2.79Å; N455-K457 VanDerWaalsContact O-N 3.08Å; N455-K457 WeakPolarHBondContact OD1-CA 3.37Å; N455-K457 VanDerWaalsContact OD1-CB 3.29Å; N455-K457 WeakPolarHBondContact OD1-CB 3.41Å; N455-K457 PolarHBondContact OD1-N 2.96Å; N455-Q458 VanDerWaalsContact CG-OE1 3.31Å; N455-Q458 PolarHBondContact ND2-OE1 3.33Å; N455-Q458 PolarHBondContact O-N 3.24Å; N455-Q458 VanDerWaalsContact O-N 3.07Å; N455-Q458 PolarHBondContact OD1-N 3.24Å; N455-Q458 VanDerWaalsContact OD1-N 3.08Å; N455-V459 PolarHBondContact O-N 2.93Å
456	S	96.6	Very high	96	Very high	37 Å²	37	54.6 Å²	54.6	26%	0.259	27%	0.269	S	S	.	.	H	α-helix	trans	-56.2	-29.9	-178.2	-55.1	0	0	0	0	114.2	C447 L460	C447-S456 PolarHBondContact SG-N 2.73Å; C447-S456 VanDerWaalsContact SG-N 3.42Å; S456-L460 VanDerWaalsContact O-CG 3.29Å; S456-L460 WeakPolarHBondContact O-CG 3.45Å; S456-L460 PolarHBondContact O-N 3.39Å; S456-L460 VanDerWaalsContact O-N 3.11Å
457	K	97.2	Very high	96.1	Very high	140 Å²	140	55.5 Å²	55.5	61%	0.609	27%	0.273	S	S	*	.	H	α-helix	trans	-69.6	-45.3	178.7	-172.9	-171.1	172.1	-172	0	110.2	N455 V459 L460 D461	N455-K457 PolarHBondContact O-N 2.79Å; N455-K457 VanDerWaalsContact O-N 3.08Å; N455-K457 WeakPolarHBondContact OD1-CA 3.37Å; N455-K457 VanDerWaalsContact OD1-CB 3.29Å; N455-K457 WeakPolarHBondContact OD1-CB 3.41Å; N455-K457 PolarHBondContact OD1-N 2.96Å; K457-V459 VanDerWaalsContact C-N 3.26Å; K457-V459 PolarHBondContact O-N 2.92Å; K457-L460 PolarHBondContact O-N 3.36Å; K457-L460 VanDerWaalsContact O-N 3.08Å; K457-D461 VanDerWaalsContact CE-OD2 3.24Å; K457-D461 WeakPolarHBondContact CE-OD2 3.49Å; K457-D461 WeakPolarHBondContact O-CB 3.46Å; K457-D461 VanDerWaalsContact O-CG 3.25Å; K457-D461 PolarHBondContact O-N 3.36Å
458	Q	97.3	Very high	96	Very high	73 Å²	73	60.6 Å²	60.6	34%	0.341	30%	0.296	S	S	.	.	H	α-helix	trans	-57.8	-39.2	176	-67.7	169.5	-75.9	0	0	112	L423 N455 F462	L423-Q458 HydrophobicContact CD1-CB 4.42Å; L423-Q458 HydrophobicContact CD2-CB 4.34Å; N455-Q458 VanDerWaalsContact CG-OE1 3.31Å; N455-Q458 PolarHBondContact ND2-OE1 3.33Å; N455-Q458 PolarHBondContact O-N 3.24Å; N455-Q458 VanDerWaalsContact O-N 3.07Å; N455-Q458 PolarHBondContact OD1-N 3.24Å; N455-Q458 VanDerWaalsContact OD1-N 3.08Å; Q458-F462 VanDerWaalsContact O-CB 3.24Å; Q458-F462 WeakPolarHBondContact O-CB 3.44Å; Q458-F462 PolarHBondContact O-N 3.31Å
459	V	97.5	Very high	95.9	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-66.5	-39.2	176.1	-179.3	0	0	0	0	111.9	L423 V426 F430 T443 N455 K457 E463	L423-V459 HydrophobicContact CD1-CG2 3.97Å; V426-V459 HydrophobicContact CG1-CG2 4.3Å; F430-V459 HydrophobicContact CB-CG1 4.34Å; F430-V459 HydrophobicContact CD1-CG1 4.16Å; F430-V459 HydrophobicContact CG-CG1 4.37Å; T443-V459 HydrophobicContact CG2-CB 3.78Å; T443-V459 HydrophobicContact CG2-CG1 3.73Å; T443-V459 HydrophobicContact CG2-CG2 4.32Å; N455-V459 PolarHBondContact O-N 2.93Å; K457-V459 VanDerWaalsContact C-N 3.26Å; K457-V459 PolarHBondContact O-N 2.92Å; V459-E463 WeakPolarHBondContact O-CB 3.01Å; V459-E463 PolarHBondContact O-N 2.95Å
460	L	97.2	Very high	95.9	Very high	81 Å²	81	56.4 Å²	56.4	42%	0.424	28%	0.283	S	S	.	.	H	α-helix	trans	-72.7	-42.4	177.8	-70.6	167.3	0	0	0	112.9	F430 S456 K457 F462 E463 F464	F430-L460 HydrophobicContact CE1-CD2 3.89Å; F430-L460 HydrophobicContact CZ-CD2 4.41Å; S456-L460 VanDerWaalsContact O-CG 3.29Å; S456-L460 WeakPolarHBondContact O-CG 3.45Å; S456-L460 PolarHBondContact O-N 3.39Å; S456-L460 VanDerWaalsContact O-N 3.11Å; K457-L460 PolarHBondContact O-N 3.36Å; K457-L460 VanDerWaalsContact O-N 3.08Å; L460-F462 VanDerWaalsContact C-N 3.32Å; L460-F462 PolarHBondContact O-N 2.84Å; L460-E463 WeakPolarHBondContact O-CB 3.45Å; L460-E463 PolarHBondContact O-N 3.27Å; L460-F464 PolarHBondContact O-N 2.92Å; L460-F464 VanDerWaalsContact O-N 3.14Å
461	D	97.5	Very high	95.9	Very high	89 Å²	89	62.6 Å²	62.6	48%	0.476	32%	0.316	S	S	.	.	H	α-helix	trans	-62.8	-41.6	176.1	-65.8	-14.5	0	0	0	110.1	K457 F464 K465	K457-D461 VanDerWaalsContact CE-OD2 3.24Å; K457-D461 WeakPolarHBondContact CE-OD2 3.49Å; K457-D461 WeakPolarHBondContact O-CB 3.46Å; K457-D461 VanDerWaalsContact O-CG 3.25Å; K457-D461 PolarHBondContact O-N 3.36Å; D461-F464 PolarHBondContact O-N 3.28Å; D461-K465 PolarHBondContact O-N 3.34Å
462	F	97.1	Very high	95.9	Very high	10 Å²	10	62.6 Å²	62.6	4%	0.044	32%	0.315	C	S	.	.	H	α-helix	trans	-71.8	-33	176	-153.7	-75.4	0	0	0	112.4	Y409 L416 E420 L423 L424 T427 Q458 L460 F464 K465 M466	Y409-F462 HydrophobicContact CE1-CE1 4.35Å; Y409-F462 HydrophobicContact CE1-CZ 4.16Å; L416-F462 HydrophobicContact CD1-CE2 4.3Å; L416-F462 HydrophobicContact CD1-CZ 3.87Å; E420-F462 HydrophobicContact CB-CE2 4.2Å; L423-F462 HydrophobicContact CD2-CB 4.17Å; L423-F462 HydrophobicContact CD2-CD2 3.62Å; L423-F462 HydrophobicContact CD2-CE2 4.36Å; L423-F462 HydrophobicContact CD2-CG 4.13Å; L423-F462 HydrophobicContact CG-CB 4.12Å; L423-F462 HydrophobicContact CG-CD2 3.87Å; L423-F462 HydrophobicContact CG-CG 4Å; L424-F462 HydrophobicContact CB-CE1 3.93Å; L424-F462 HydrophobicContact CB-CZ 4.03Å; L424-F462 HydrophobicContact CD1-CE1 3.79Å; L424-F462 HydrophobicContact CD1-CZ 4.46Å; L424-F462 HydrophobicContact CG-CE1 4.45Å; T427-F462 HydrophobicContact CG2-CB 4.37Å; T427-F462 HydrophobicContact CG2-CD1 4.11Å; Q458-F462 VanDerWaalsContact O-CB 3.24Å; Q458-F462 WeakPolarHBondContact O-CB 3.44Å; Q458-F462 PolarHBondContact O-N 3.31Å; L460-F462 VanDerWaalsContact C-N 3.32Å; L460-F462 PolarHBondContact O-N 2.84Å; F462-F464 VanDerWaalsContact C-N 3.33Å; F462-F464 PolarHBondContact O-N 3.17Å; F462-K465 HydrophobicContact CD2-CD 4.38Å; F462-K465 HydrophobicContact CE2-CD 4.27Å; F462-K465 PolarHBondContact O-N 3.14Å; F462-M466 HydrophobicContact CD1-CB 4.36Å; F462-M466 WeakPolarHBondContact O-CB 3.31Å; F462-M466 PolarHBondContact O-N 3.46Å
463	E	97.7	Very high	95.8	Very high	20 Å²	20	59 Å²	59	9%	0.093	30%	0.296	C	S	.	.	H	α-helix	trans	-58.6	-45.2	173	164.8	166.8	-102.3	0	0	111.3	T427 F430 I431 K434 V459 L460 M466 L467	T427-E463 VanDerWaalsContact CG2-CA 3.48Å; T427-E463 HydrophobicContact CG2-CB 3.84Å; F430-E463 WeakPolarHBondContact CD1-OE1 3.11Å; F430-E463 WeakPolarHBondContact CE1-OE2 3.29Å; I431-E463 HydrophobicContact CD1-CG 4.22Å; I431-E463 HydrophobicContact CG1-CG 3.97Å; I431-E463 VanDerWaalsContact CG1-OE1 3.32Å; I431-E463 WeakPolarHBondContact CG1-OE1 3.27Å; K434-E463 WeakPolarHBondContact CE-OE1 3.48Å; K434-E463 IonicContact NZ-OE1 2.66Å; K434-E463 PolarHBondContact NZ-OE1 3.31Å; K434-E463 IonicContact NZ-OE2 3.8Å; K434-E463 PolarHBondContact NZ-OE2 3.22Å; V459-E463 WeakPolarHBondContact O-CB 3.01Å; V459-E463 PolarHBondContact O-N 2.95Å; L460-E463 WeakPolarHBondContact O-CB 3.45Å; L460-E463 PolarHBondContact O-N 3.27Å; E463-M466 PolarHBondContact O-N 2.95Å; E463-L467 HydrophobicContact CG-CD1 3.82Å; E463-L467 HydrophobicContact CG-CG 4.39Å; E463-L467 WeakPolarHBondContact O-CG 3.41Å; E463-L467 PolarHBondContact O-N 3.26Å
464	F	96.5	Very high	95.7	Very high	126 Å²	126	56.9 Å²	56.9	55%	0.553	28%	0.279	S	S	*	.	H	α-helix	trans	-60.4	-52.1	176.5	-177.1	-89.6	0	0	0	111.2	L460 D461 F462 M466 L467 E468	L460-F464 PolarHBondContact O-N 2.92Å; L460-F464 VanDerWaalsContact O-N 3.14Å; D461-F464 PolarHBondContact O-N 3.28Å; F462-F464 VanDerWaalsContact C-N 3.33Å; F462-F464 PolarHBondContact O-N 3.17Å; F464-M466 PolarHBondContact O-N 2.95Å; F464-L467 PolarHBondContact O-N 2.99Å; F464-E468 WeakPolarHBondContact O-CB 3.31Å; F464-E468 PolarHBondContact O-N 3.49Å
465	K	96	Very high	95.4	Very high	72 Å²	72	59.3 Å²	59.3	31%	0.313	29%	0.294	S	S	.	.	H	α-helix	trans	-52.8	-38.4	175.5	-173	-167.9	-174.8	-163.7	0	112	Y409 D461 F462 A469	Y409-K465 WeakPolarHBondContact OH-CD 3.43Å; Y409-K465 WeakPolarHBondContact OH-CE 3.39Å; Y409-K465 PolarHBondContact OH-NZ 3.23Å; D461-K465 PolarHBondContact O-N 3.34Å; F462-K465 HydrophobicContact CD2-CD 4.38Å; F462-K465 HydrophobicContact CE2-CD 4.27Å; F462-K465 PolarHBondContact O-N 3.14Å; K465-A469 WeakPolarHBondContact O-CB 3.2Å; K465-A469 PolarHBondContact O-N 3.48Å; K465-A469 VanDerWaalsContact O-N 3.08Å
466	M	97	Very high	95.3	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-76.5	-41.8	-177.4	-174.2	171.5	-179.9	0	0	113	L405 Y409 L424 T427 A428 I431 F462 E463 F464 L470	L405-M466 HydrophobicContact CB-CE 3.61Å; L405-M466 WeakPolarHBondContact O-CE 3.35Å; Y409-M466 HydrophobicContact CD2-CB 4.22Å; Y409-M466 HydrophobicContact CD2-CG 3.8Å; Y409-M466 HydrophobicContact CE2-CB 4.23Å; Y409-M466 HydrophobicContact CE2-CG 4.31Å; Y409-M466 HydrophobicContact CG-CG 4.44Å; L424-M466 HydrophobicContact CD1-CE 3.81Å; L424-M466 HydrophobicContact CD1-SD 3.65Å; T427-M466 HydrophobicContact CG2-SD 4.12Å; A428-M466 HydrophobicContact CB-CE 3.82Å; A428-M466 HydrophobicContact CB-SD 4.37Å; I431-M466 HydrophobicContact CD1-CB 4.1Å; I431-M466 HydrophobicContact CD1-CE 4.4Å; I431-M466 HydrophobicContact CD1-CG 3.88Å; I431-M466 HydrophobicContact CD1-SD 3.61Å; F462-M466 HydrophobicContact CD1-CB 4.36Å; F462-M466 WeakPolarHBondContact O-CB 3.31Å; F462-M466 PolarHBondContact O-N 3.46Å; E463-M466 PolarHBondContact O-N 2.95Å; F464-M466 PolarHBondContact O-N 2.95Å; M466-L470 HydrophobicContact CE-CD1 4.28Å; M466-L470 HydrophobicContact CG-CD1 4.26Å; M466-L470 WeakPolarHBondContact O-CB 3.38Å; M466-L470 VanDerWaalsContact O-CG 3.26Å; M466-L470 WeakPolarHBondContact O-CG 3.41Å; M466-L470 PolarHBondContact O-N 3.24Å
467	L	96.7	Very high	95.1	Very high	19 Å²	19	54.5 Å²	54.5	10%	0.099	27%	0.266	C	S	.	.	H	α-helix	trans	-68.7	-39.9	176.2	-69.9	171.6	0	0	0	111.8	I431 E463 F464 L470 N471 F472 I474	I431-L467 HydrophobicContact CD1-CD2 4.15Å; I431-L467 HydrophobicContact CD1-CG 4.1Å; I431-L467 HydrophobicContact CG1-CD2 4.48Å; I431-L467 HydrophobicContact CG2-CD2 4.08Å; E463-L467 HydrophobicContact CG-CD1 3.82Å; E463-L467 HydrophobicContact CG-CG 4.39Å; E463-L467 WeakPolarHBondContact O-CG 3.41Å; E463-L467 PolarHBondContact O-N 3.26Å; F464-L467 PolarHBondContact O-N 2.99Å; L467-L470 PolarHBondContact O-N 3.44Å; L467-N471 PolarHBondContact O-N 3.29Å; L467-F472 HydrophobicContact CB-CD1 3.94Å; L467-F472 HydrophobicContact CB-CE1 3.69Å; L467-F472 HydrophobicContact CB-CE2 4.41Å; L467-F472 HydrophobicContact CB-CG 4.41Å; L467-F472 HydrophobicContact CB-CZ 3.94Å; L467-F472 HydrophobicContact CD1-CD1 4.4Å; L467-F472 HydrophobicContact CD1-CE1 4Å; L467-F472 HydrophobicContact CD2-CD1 4.43Å; L467-F472 HydrophobicContact CG-CD1 4.49Å; L467-F472 HydrophobicContact CG-CE1 4.36Å; L467-F472 PolarHBondContact O-N 3.27Å; L467-I474 HydrophobicContact CD2-CG2 3.91Å
468	E	95.3	Very high	95	Very high	112 Å²	112	48 Å²	48	52%	0.523	24%	0.238	S	C	.	.	H	α-helix	trans	-60.8	-50.5	173.1	-176.2	174.2	-135.2	0	0	111.2	F464 L470 N471	F464-E468 WeakPolarHBondContact O-CB 3.31Å; F464-E468 PolarHBondContact O-N 3.49Å; E468-L470 PolarHBondContact O-N 2.96Å; E468-L470 VanDerWaalsContact O-N 3.11Å; E468-N471 PolarHBondContact O-N 2.98Å
469	A	94.3	Very high	94.9	Very high	18 Å²	18	45.1 Å²	45.1	15%	0.149	23%	0.225	C	C	.	.	H	α-helix	trans	-57.5	-26	176.1	0	0	0	0	0	114.6	Y409 Q413 K465	Y409-A469 HydrophobicContact CD2-CB 3.75Å; Y409-A469 HydrophobicContact CE2-CB 3.49Å; Y409-A469 VanDerWaalsContact CE2-CB 3.49Å; Q413-A469 HydrophobicContact CG-CB 4.06Å; Q413-A469 VanDerWaalsContact NE2-CB 3.27Å; K465-A469 WeakPolarHBondContact O-CB 3.2Å; K465-A469 PolarHBondContact O-N 3.48Å; K465-A469 VanDerWaalsContact O-N 3.08Å
470	L	94.1	Very high	94.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	1.1	177.9	-65.7	175.2	0	0	0	113.1	L405 Q408 R412 M466 L467 E468 F472 D473 I474	L405-L470 HydrophobicContact CD2-CD1 3.55Å; Q408-L470 HydrophobicContact CB-CD2 3.83Å; R412-L470 PolarHBondContact NH1-O 3.11Å; R412-L470 VanDerWaalsContact NH1-O 3.15Å; M466-L470 HydrophobicContact CE-CD1 4.28Å; M466-L470 HydrophobicContact CG-CD1 4.26Å; M466-L470 WeakPolarHBondContact O-CB 3.38Å; M466-L470 VanDerWaalsContact O-CG 3.26Å; M466-L470 WeakPolarHBondContact O-CG 3.41Å; M466-L470 PolarHBondContact O-N 3.24Å; L467-L470 PolarHBondContact O-N 3.44Å; E468-L470 PolarHBondContact O-N 2.96Å; E468-L470 VanDerWaalsContact O-N 3.11Å; L470-F472 PolarHBondContact O-N 3.23Å; L470-D473 WeakPolarHBondContact O-CB 3.19Å; L470-D473 PolarHBondContact O-N 2.97Å; L470-I474 HydrophobicContact CD1-CG2 4.26Å
471	N	93.4	Very high	94.4	Very high	130 Å²	130	45.5 Å²	45.5	70%	0.695	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	33.5	-170.9	-61.7	-45.8	0	0	0	112.9	L467 E468 D473	L467-N471 PolarHBondContact O-N 3.29Å; E468-N471 PolarHBondContact O-N 2.98Å; N471-D473 PolarHBondContact O-N 3.08Å
472	F	93.7	Very high	94.1	Very high	104 Å²	104	41.2 Å²	41.2	46%	0.456	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	10.1	-171.6	-64.6	-101.9	0	0	0	115	L467 L470 I474	L467-F472 HydrophobicContact CB-CD1 3.94Å; L467-F472 HydrophobicContact CB-CE1 3.69Å; L467-F472 HydrophobicContact CB-CE2 4.41Å; L467-F472 HydrophobicContact CB-CG 4.41Å; L467-F472 HydrophobicContact CB-CZ 3.94Å; L467-F472 HydrophobicContact CD1-CD1 4.4Å; L467-F472 HydrophobicContact CD1-CE1 4Å; L467-F472 HydrophobicContact CD2-CD1 4.43Å; L467-F472 HydrophobicContact CG-CD1 4.49Å; L467-F472 HydrophobicContact CG-CE1 4.36Å; L467-F472 PolarHBondContact O-N 3.27Å; L470-F472 PolarHBondContact O-N 3.23Å; F472-I474 VanDerWaalsContact C-N 3.32Å; F472-I474 PolarHBondContact O-N 3.03Å
473	D	90.3	Very high	93.8	Very high	35 Å²	35	41 Å²	41	19%	0.187	20%	0.201	C	C	.	.			trans	-83.9	75	-180	-168.2	17.5	0	0	0	111.1	K358 L470 N471	K358-D473 IonicContact NZ-OD2 2.95Å; K358-D473 PolarHBondContact NZ-OD2 2.86Å; L470-D473 WeakPolarHBondContact O-CB 3.19Å; L470-D473 PolarHBondContact O-N 2.97Å; N471-D473 PolarHBondContact O-N 3.08Å
474	I	92.7	Very high	93	Very high	14 Å²	14	45.2 Å²	45.2	7%	0.072	22%	0.224	C	C	.	.			trans	-99.2	8.2	-178.3	65	172.4	0	0	0	113.4	L401 L405 I431 F435 L467 L470 F472 I476	L401-I474 WeakPolarHBondContact CD1-O 3.5Å; L405-I474 HydrophobicContact CD2-CB 4Å; L405-I474 HydrophobicContact CD2-CG2 3.71Å; I431-I474 HydrophobicContact CG2-CD1 4.05Å; F435-I474 HydrophobicContact CB-CD1 4.41Å; F435-I474 HydrophobicContact CD2-CD1 3.81Å; F435-I474 HydrophobicContact CD2-CG1 4.34Å; F435-I474 HydrophobicContact CE2-CD1 4.39Å; F435-I474 HydrophobicContact CE2-CG1 4.46Å; F435-I474 HydrophobicContact CG-CD1 4.2Å; L467-I474 HydrophobicContact CD2-CG2 3.91Å; L470-I474 HydrophobicContact CD1-CG2 4.26Å; F472-I474 VanDerWaalsContact C-N 3.32Å; F472-I474 PolarHBondContact O-N 3.03Å; I474-I476 PolarHBondContact O-N 2.66Å
475	N	89.6	Confident	92.4	Very high	78 Å²	78	39.2 Å²	39.2	42%	0.417	20%	0.198	S	C	.	.			trans	-79.7	52.9	178.8	-69.6	-52.3	0	0	0	111.9	F435 P477	F435-N475 VanDerWaalsContact CZ-OD1 3.22Å; F435-N475 WeakPolarHBondContact CZ-OD1 3.25Å; N475-P477 WeakPolarHBondContact O-CD 3.48Å
476	I	92.8	Very high	91.9	Very high	17 Å²	17	35.8 Å²	35.8	9%	0.087	18%	0.183	C	C	.	.			trans	-78.1	122.3	-174.5	-55.7	160.4	0	0	0	109.8	A359 L401 L405 Q408 I474	A359-I476 HydrophobicContact CB-CG2 4.24Å; L401-I476 HydrophobicContact CD1-CB 4.18Å; L401-I476 HydrophobicContact CD1-CD1 4.24Å; L405-I476 HydrophobicContact CD2-CD1 3.75Å; L405-I476 HydrophobicContact CG-CD1 4.08Å; Q408-I476 HydrophobicContact CB-CD1 4.46Å; Q408-I476 HydrophobicContact CG-CD1 3.84Å; I474-I476 PolarHBondContact O-N 2.66Å
477	P	92.9	Very high	91.4	Very high	6 Å²	6	37 Å²	37	4%	0.039	19%	0.188	C	C	.	.			trans	-64	138.1	176.9	-25.5	38	0	0	0	112.5	L352 Q355 D356 N475 F482 A523	L352-P477 HydrophobicContact CD2-CB 4.23Å; L352-P477 HydrophobicContact CD2-CG 4.22Å; L352-P477 WeakPolarHBondContact O-CG 3.49Å; Q355-P477 HydrophobicContact CB-CG 3.52Å; D356-P477 HydrophobicContact CB-CB 4.21Å; D356-P477 HydrophobicContact CB-CG 4.19Å; N475-P477 WeakPolarHBondContact O-CD 3.48Å; P477-F482 HydrophobicContact CB-CE2 4.03Å; P477-F482 HydrophobicContact CB-CZ 4.26Å; P477-A523 WeakPolarHBondContact O-CB 3.32Å
478	L	95.1	Very high	90.5	Very high	4 Å²	4	37 Å²	37	2%	0.021	19%	0.191	C	C	.	.			trans	-111.5	149	-179.8	-49.2	178.9	0	0	0	109.4	E397 H400 L401 H480 H481 F482	E397-L478 HydrophobicContact CB-CD1 3.86Å; E397-L478 HydrophobicContact CG-CD1 4.45Å; E397-L478 WeakPolarHBondContact O-CD1 3.44Å; H400-L478 HydrophobicContact CB-CD1 4.06Å; H400-L478 HydrophobicContact CB-CD2 4.03Å; H400-L478 HydrophobicContact CB-CG 4.45Å; L401-L478 HydrophobicContact CB-CD1 4.28Å; L401-L478 HydrophobicContact CB-CD2 4.38Å; L478-H480 PolarHBondContact O-N 2.8Å; L478-H481 PolarHBondContact N-CD2 2.85Å; L478-H481 WeakPolarHBondContact O-CB 3.45Å; L478-H481 PolarHBondContact O-N 3.03Å; L478-F482 WeakPolarHBondContact O-CD2 3.37Å
479	P	95.1	Very high	89.9	Confident	12 Å²	12	31.9 Å²	31.9	8%	0.078	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-31.6	178.7	-27.6	34.2	0	0	0	113.5	H481 F482 F509 A523 K526 C527	P479-H481 VanDerWaalsContact C-N 3.26Å; P479-H481 PolarHBondContact O-N 2.79Å; P479-F482 PolarHBondContact O-N 3.27Å; P479-F482 VanDerWaalsContact O-N 3.12Å; P479-F509 HydrophobicContact CB-CD1 4.11Å; P479-F509 HydrophobicContact CB-CD2 3.78Å; P479-F509 HydrophobicContact CB-CE1 4.02Å; P479-F509 HydrophobicContact CB-CE2 3.64Å; P479-F509 HydrophobicContact CB-CG 4.02Å; P479-F509 HydrophobicContact CB-CZ 3.78Å; P479-A523 HydrophobicContact CG-CB 4.17Å; P479-K526 HydrophobicContact CB-CB 4.17Å; P479-K526 HydrophobicContact CG-CB 3.83Å; P479-K526 HydrophobicContact CG-CD 3.94Å; P479-C527 HydrophobicContact CB-CB 4.32Å
480	H	93.6	Very high	89.4	Confident	13 Å²	13	31.1 Å²	31.1	6%	0.06	16%	0.161	C	C	.	.	H	α-helix	trans	-54.1	-36	174.6	-63	80.5	0	0	0	114	T396 E397 H400 L478 F482 L483 F509	T396-H480 VanDerWaalsContact CG2-NE2 3.26Å; T396-H480 WeakPolarHBondContact CG2-NE2 3.23Å; E397-H480 HydrophobicContact CG-CB 4.49Å; H400-H480 AromaticContact CD2-CE1 3.79Å; H400-H480 AromaticContact CE1-CE1 3.24Å; H400-H480 PolarHBondContact CE1-CE1 3.41Å; H400-H480 AromaticContact CE1-NE2 4Å; H400-H480 AromaticContact CG-CE1 3.77Å; H400-H480 AromaticContact CG-ND1 3.97Å; H400-H480 AromaticContact ND1-CE1 3.44Å; H400-H480 PolarHBondContact ND1-CE1 3.47Å; H400-H480 AromaticContact ND1-ND1 3.97Å; H400-H480 AromaticContact NE2-CE1 3.47Å; H400-H480 PolarHBondContact NE2-CE1 3.17Å; L478-H480 PolarHBondContact O-N 2.8Å; H480-F482 PolarHBondContact O-N 3.48Å; H480-L483 PolarHBondContact O-N 2.89Å; H480-F509 AromaticContact CE1-CD2 3.54Å; H480-F509 AromaticContact NE2-CD2 3.68Å
481	H	91.1	Very high	88.7	Confident	76 Å²	76	34.4 Å²	34.4	35%	0.352	18%	0.179	S	C	.	.	H	α-helix	trans	-71.6	-16.6	-178.3	-56.2	-28.8	0	0	0	113.1	L352 L478 P479	L352-H481 HydrophobicContact CD1-CB 4.02Å; L478-H481 PolarHBondContact N-CD2 2.85Å; L478-H481 WeakPolarHBondContact O-CB 3.45Å; L478-H481 PolarHBondContact O-N 3.03Å; P479-H481 VanDerWaalsContact C-N 3.26Å; P479-H481 PolarHBondContact O-N 2.79Å
482	F	91.2	Very high	88.3	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-93.8	-14.7	179	-59.7	-96.1	0	0	0	112.4	F349 L352 F353 D356 P477 L478 P479 H480 A486 A523 C527 M577	F349-F482 HydrophobicContact CD2-CD1 4.17Å; F349-F482 HydrophobicContact CE2-CB 4.26Å; F349-F482 AromaticContact CE2-CD1 3.33Å; F349-F482 HydrophobicContact CE2-CD1 3.33Å; F349-F482 HydrophobicContact CE2-CE1 4.03Å; F349-F482 HydrophobicContact CE2-CG 4.16Å; F349-F482 AromaticContact CZ-CD1 3.65Å; F349-F482 HydrophobicContact CZ-CD1 3.65Å; F349-F482 HydrophobicContact CZ-CE1 4.25Å; L352-F482 HydrophobicContact CB-CE1 4.36Å; L352-F482 HydrophobicContact CB-CZ 4.08Å; F353-F482 AromaticContact CD2-CE1 3.85Å; F353-F482 HydrophobicContact CD2-CE1 3.85Å; F353-F482 HydrophobicContact CE2-CD1 4.31Å; F353-F482 AromaticContact CE2-CE1 3.99Å; F353-F482 HydrophobicContact CE2-CE1 3.99Å; F353-F482 HydrophobicContact CG-CE1 4.46Å; D356-F482 HydrophobicContact CB-CZ 4.35Å; P477-F482 HydrophobicContact CB-CE2 4.03Å; P477-F482 HydrophobicContact CB-CZ 4.26Å; L478-F482 WeakPolarHBondContact O-CD2 3.37Å; P479-F482 PolarHBondContact O-N 3.27Å; P479-F482 VanDerWaalsContact O-N 3.12Å; H480-F482 PolarHBondContact O-N 3.48Å; F482-A486 PolarHBondContact O-N 2.96Å; F482-A523 HydrophobicContact CD2-CB 4.29Å; F482-A523 HydrophobicContact CE2-CB 3.73Å; F482-C527 VanDerWaalsContact C-SG 3.57Å; F482-C527 HydrophobicContact CB-CB 3.66Å; F482-C527 HydrophobicContact CG-CB 4.47Å; F482-M577 HydrophobicContact CB-CE 4Å
483	L	90.3	Very high	87.8	Confident	4 Å²	4	25.5 Å²	25.5	2%	0.021	14%	0.136	C	C	.	.	H	α-helix	trans	-65	-41.8	-178.7	-76.4	178.3	0	0	0	113.3	H480 R485 A486 F487 C505 F509 C527 V531	H480-L483 PolarHBondContact O-N 2.89Å; L483-R485 VanDerWaalsContact C-N 3.3Å; L483-R485 PolarHBondContact O-N 2.64Å; L483-A486 WeakPolarHBondContact O-CA 3.38Å; L483-A486 WeakPolarHBondContact O-CB 3.49Å; L483-A486 PolarHBondContact O-N 3.23Å; L483-A486 VanDerWaalsContact O-N 3.07Å; L483-F487 HydrophobicContact CB-CD2 4.5Å; L483-F487 HydrophobicContact CB-CE2 3.86Å; L483-F487 HydrophobicContact CB-CZ 3.88Å; L483-F487 HydrophobicContact CD1-CZ 4.21Å; L483-F487 HydrophobicContact CD2-CE1 4.06Å; L483-F487 HydrophobicContact CD2-CZ 3.76Å; L483-F487 HydrophobicContact CG-CZ 4.18Å; L483-F487 WeakPolarHBondContact O-CD2 3.25Å; L483-F487 VanDerWaalsContact O-CG 3.27Å; L483-F487 WeakPolarHBondContact O-CG 3.49Å; L483-F487 PolarHBondContact O-N 3.02Å; L483-C505 HydrophobicContact CD1-CB 4.4Å; L483-C505 HydrophobicContact CD2-CB 3.76Å; L483-F509 HydrophobicContact CD1-CE2 3.83Å; L483-F509 HydrophobicContact CD2-CE2 4.19Å; L483-F509 HydrophobicContact CD2-CZ 4.08Å; L483-F509 HydrophobicContact CG-CE2 4.03Å; L483-F509 HydrophobicContact CG-CZ 4.36Å; L483-C527 VanDerWaalsContact CD2-SG 3.56Å; L483-V531 HydrophobicContact CD2-CG2 4.03Å
484	D	82.4	Confident	87.6	Confident	109 Å²	109	25.3 Å²	25.3	58%	0.583	14%	0.136	S	C	*	.	H	α-helix	trans	-59.9	-41	-177.3	-71	-27.2	0	0	0	111.7	F487 A488	D484-F487 PolarHBondContact O-N 3.18Å; D484-A488 WeakPolarHBondContact O-CB 3.38Å; D484-A488 PolarHBondContact O-N 3.26Å
485	R	83.1	Confident	87.2	Confident	1 Å²	1	28.9 Å²	28.9	0%	0.004	16%	0.155	C	C	.	.	H	α-helix	trans	-69.7	-35.7	175.3	-173.3	163.3	-177.3	107.6	5.1	112.1	D334 H345 F349 L483 A488 A489 S576	D334-R485 IonicContact OD1-CZ 3.32Å; D334-R485 IonicContact OD1-NH1 2.71Å; D334-R485 PolarHBondContact OD1-NH1 3.39Å; D334-R485 IonicContact OD2-CZ 3.53Å; D334-R485 VanDerWaalsContact OD2-CZ 3.28Å; D334-R485 IonicContact OD2-NH1 2.62Å; D334-R485 PolarHBondContact OD2-NH1 2.91Å; D334-R485 IonicContact OD2-NH2 2.82Å; D334-R485 PolarHBondContact OD2-NH2 3.39Å; H345-R485 PolarHBondContact CE1-NH1 3.33Å; H345-R485 VanDerWaalsContact CE1-NH1 3.34Å; H345-R485 PolarHBondContact ND1-NH1 2.88Å; F349-R485 HydrophobicContact CD2-CB 4.15Å; F349-R485 HydrophobicContact CD2-CG 4.34Å; F349-R485 HydrophobicContact CE2-CB 3.91Å; F349-R485 VanDerWaalsContact CE2-CD 3.46Å; F349-R485 HydrophobicContact CE2-CG 4.14Å; F349-R485 HydrophobicContact CZ-CG 4.37Å; L483-R485 VanDerWaalsContact C-N 3.3Å; L483-R485 PolarHBondContact O-N 2.64Å; R485-A488 PolarHBondContact O-N 2.86Å; R485-A489 PolarHBondContact O-N 3.23Å; R485-A489 VanDerWaalsContact O-N 3.14Å; R485-S576 WeakPolarHBondContact CD-O 3.24Å; R485-S576 VanDerWaalsContact CG-OG 3.3Å; R485-S576 WeakPolarHBondContact CG-OG 3.2Å; R485-S576 PolarHBondContact NE-O 3.43Å; R485-S576 PolarHBondContact NE-OG 3.42Å
486	A	86.1	Confident	87.1	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62	-47.3	172.7	0	0	0	0	0	112	F482 L483 A488 A489 C490 V531 L573 M577	F482-A486 PolarHBondContact O-N 2.96Å; L483-A486 WeakPolarHBondContact O-CA 3.38Å; L483-A486 WeakPolarHBondContact O-CB 3.49Å; L483-A486 PolarHBondContact O-N 3.23Å; L483-A486 VanDerWaalsContact O-N 3.07Å; A486-A488 VanDerWaalsContact C-N 3.33Å; A486-A488 PolarHBondContact O-N 3.28Å; A486-A489 PolarHBondContact O-N 3.47Å; A486-A489 VanDerWaalsContact O-N 3.14Å; A486-C490 PolarHBondContact O-N 2.93Å; A486-C490 PolarHBondContact O-SG 2.95Å; A486-V531 HydrophobicContact CB-CG2 3.94Å; A486-L573 HydrophobicContact CB-CD1 4.21Å; A486-M577 HydrophobicContact CB-CE 4.15Å; A486-M577 HydrophobicContact CB-CG 4.45Å; A486-M577 HydrophobicContact CB-SD 3.6Å; A486-M577 VanDerWaalsContact CB-SD 3.6Å
487	F	84.8	Confident	86.8	Confident	24 Å²	24	28.2 Å²	28.2	11%	0.105	16%	0.155	C	C	.	.	H	α-helix	trans	-68.8	-30.9	-179.9	-58.1	-25.1	0	0	0	113.2	L483 D484 A489 K498 I501 E502	L483-F487 HydrophobicContact CB-CD2 4.5Å; L483-F487 HydrophobicContact CB-CE2 3.86Å; L483-F487 HydrophobicContact CB-CZ 3.88Å; L483-F487 HydrophobicContact CD1-CZ 4.21Å; L483-F487 HydrophobicContact CD2-CE1 4.06Å; L483-F487 HydrophobicContact CD2-CZ 3.76Å; L483-F487 HydrophobicContact CG-CZ 4.18Å; L483-F487 WeakPolarHBondContact O-CD2 3.25Å; L483-F487 VanDerWaalsContact O-CG 3.27Å; L483-F487 WeakPolarHBondContact O-CG 3.49Å; L483-F487 PolarHBondContact O-N 3.02Å; D484-F487 PolarHBondContact O-N 3.18Å; F487-A489 VanDerWaalsContact C-N 3.3Å; F487-K498 PolarHBondContact O-NZ 3.34Å; F487-I501 HydrophobicContact CE1-CG2 3.86Å; F487-E502 HydrophobicContact CE1-CB 4.41Å; F487-E502 HydrophobicContact CE2-CB 3.85Å; F487-E502 HydrophobicContact CE2-CG 3.82Å; F487-E502 HydrophobicContact CZ-CB 3.5Å; F487-E502 HydrophobicContact CZ-CG 3.79Å
488	A	79.3	Confident	86.6	Confident	20 Å²	20	30 Å²	30	17%	0.165	16%	0.162	C	C	.	.	H	α-helix	trans	-71.7	-24.3	172.7	0	0	0	0	0	113	A333 D484 R485 A486 N491	A333-A488 HydrophobicContact CB-CB 3.4Å; A333-A488 VanDerWaalsContact CB-CB 3.4Å; D484-A488 WeakPolarHBondContact O-CB 3.38Å; D484-A488 PolarHBondContact O-N 3.26Å; R485-A488 PolarHBondContact O-N 2.86Å; A486-A488 VanDerWaalsContact C-N 3.33Å; A486-A488 PolarHBondContact O-N 3.28Å; A488-N491 PolarHBondContact O-OD1 3.24Å
489	A	82.2	Confident	86.4	Confident	5 Å²	5	32 Å²	32	4%	0.041	18%	0.179	C	C	.	.	H	α-helix	trans	-87.9	-25.2	174.5	0	0	0	0	0	114.3	R485 A486 F487 N491 L573	R485-A489 PolarHBondContact O-N 3.23Å; R485-A489 VanDerWaalsContact O-N 3.14Å; A486-A489 PolarHBondContact O-N 3.47Å; A486-A489 VanDerWaalsContact O-N 3.14Å; F487-A489 VanDerWaalsContact C-N 3.3Å; A489-N491 PolarHBondContact O-N 2.92Å; A489-L573 HydrophobicContact CB-CD1 3.95Å
490	C	83.3	Confident	86.2	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.007	19%	0.185	C	C	.	.			trans	-75.2	68.6	174.5	-64.3	0	0	0	0	111.4	A486 D492 L493 K498	A486-C490 PolarHBondContact O-N 2.93Å; A486-C490 PolarHBondContact O-SG 2.95Å; C490-D492 VanDerWaalsContact C-OD1 3.3Å; C490-D492 WeakPolarHBondContact CA-OD1 3.45Å; C490-D492 PolarHBondContact O-N 3.44Å; C490-L493 HydrophobicContact CB-CD1 3.98Å; C490-L493 HydrophobicContact CB-CG 4.47Å; C490-K498 WeakPolarHBondContact O-CE 3.48Å; C490-K498 PolarHBondContact O-NZ 3.44Å
491	N	79.4	Confident	86.1	Confident	70 Å²	70	33 Å²	33	37%	0.374	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-20.7	-178.5	-72.9	-34.6	0	0	0	113.7	A332 A488 A489 Q553	A332-N491 WeakPolarHBondContact CB-ND2 3.49Å; A488-N491 PolarHBondContact O-OD1 3.24Å; A489-N491 PolarHBondContact O-N 2.92Å; N491-Q553 PolarHBondContact O-NE2 3.42Å
492	D	84.5	Confident	86.2	Confident	46 Å²	46	31.9 Å²	31.9	25%	0.246	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-12.9	-178.4	64.5	-53.6	0	0	0	114.6	C490 R535 Q553 F566	C490-D492 VanDerWaalsContact C-OD1 3.3Å; C490-D492 WeakPolarHBondContact CA-OD1 3.45Å; C490-D492 PolarHBondContact O-N 3.44Å; D492-R535 IonicContact OD1-CZ 2.64Å; D492-R535 IonicContact OD1-NH1 3.18Å; D492-R535 PolarHBondContact OD1-NH1 3.12Å; D492-R535 IonicContact OD1-NH2 3.76Å; D492-R535 IonicContact OD2-CZ 3.07Å; D492-R535 VanDerWaalsContact OD2-CZ 3.26Å; D492-R535 IonicContact OD2-NH1 3.8Å; D492-R535 PolarHBondContact OD2-NH1 3.27Å; D492-R535 IonicContact OD2-NH2 3.62Å; D492-R535 PolarHBondContact OD2-NH2 3.3Å; D492-Q553 WeakPolarHBondContact O-CB 3.33Å; D492-Q553 PolarHBondContact O-N 3.43Å; D492-F566 WeakPolarHBondContact OD2-CE2 3.43Å
493	L	84.6	Confident	86.4	Confident	1 Å²	1	34 Å²	34	1%	0.005	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-97.9	144.1	179.3	-71.1	173.8	0	0	0	111.8	C490 K498 I501 D551 I552 Q553 F566	C490-L493 HydrophobicContact CB-CD1 3.98Å; C490-L493 HydrophobicContact CB-CG 4.47Å; L493-K498 HydrophobicContact CB-CG 3.94Å; L493-K498 VanDerWaalsContact O-CE 3.29Å; L493-K498 WeakPolarHBondContact O-CE 3.47Å; L493-I501 HydrophobicContact CD1-CD1 3.26Å; L493-I501 HydrophobicContact CD1-CG1 4.35Å; L493-D551 WeakPolarHBondContact CD2-O 3.2Å; L493-I552 HydrophobicContact CD2-CG1 4.49Å; L493-Q553 PolarHBondContact O-NE2 3.02Å; L493-F566 HydrophobicContact CD2-CE2 3.6Å; L493-F566 HydrophobicContact CD2-CZ 3.78Å; L493-F566 HydrophobicContact CG-CE2 4.29Å; L493-F566 HydrophobicContact CG-CZ 4.48Å
494	T	85.9	Confident	86.6	Confident	30 Å²	30	33.9 Å²	33.9	18%	0.184	19%	0.187	C	C	.	.			trans	-70.8	174	169.5	72.1	0	0	0	0	110.6	T496 G497 K498 D550 D551 Q553	T494-T496 PolarHBondContact O-N 3.06Å; T494-T496 PolarHBondContact OG1-N 3.16Å; T494-G497 PolarHBondContact O-N 3.01Å; T494-G497 PolarHBondContact OG1-N 2.92Å; T494-K498 WeakPolarHBondContact O-CG 3.04Å; T494-K498 PolarHBondContact O-N 2.92Å; T494-D550 VanDerWaalsContact CB-O 3.26Å; T494-D550 WeakPolarHBondContact CB-O 3.19Å; T494-D550 WeakPolarHBondContact CG2-O 3.44Å; T494-D550 PolarHBondContact OG1-O 2.9Å; T494-D551 PolarHBondContact N-O 3.47Å; T494-D551 WeakPolarHBondContact OG1-CA 3.18Å; T494-D551 PolarHBondContact OG1-O 3.42Å; T494-Q553 HydrophobicContact CG2-CG 3.92Å
495	L	84.8	Confident	87.3	Confident	89 Å²	89	28.7 Å²	28.7	47%	0.466	16%	0.159	S	C	.	.	H	α-helix	trans	-56.5	-38.8	170.2	-179.8	73.4	0	0	0	112	C152 K498 A499	C152-L495 WeakPolarHBondContact SG-CD2 3.5Å; L495-K498 PolarHBondContact O-N 3.19Å; L495-A499 PolarHBondContact O-N 3.33Å
496	T	86.1	Confident	87.9	Confident	82 Å²	82	32.2 Å²	32.2	50%	0.503	17%	0.173	S	C	.	.	H	α-helix	trans	-65.9	-49.5	179.7	-45.3	0	0	0	0	110.5	T494 K498 A499 K500 D551	T494-T496 PolarHBondContact O-N 3.06Å; T494-T496 PolarHBondContact OG1-N 3.16Å; T496-K498 VanDerWaalsContact C-N 3.31Å; T496-K498 PolarHBondContact O-N 3.09Å; T496-A499 PolarHBondContact O-N 3.42Å; T496-A499 VanDerWaalsContact O-N 3.12Å; T496-K500 PolarHBondContact O-N 2.97Å; T496-D551 WeakPolarHBondContact CB-OD1 3.27Å; T496-D551 VanDerWaalsContact CG2-OD1 3.3Å; T496-D551 WeakPolarHBondContact CG2-OD1 3.48Å
497	G	87	Confident	88.4	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-58.9	-41.2	177.1	0	0	0	0	0	112.4	T494 K500 I501 D551	T494-G497 PolarHBondContact O-N 3.01Å; T494-G497 PolarHBondContact OG1-N 2.92Å; G497-K500 WeakPolarHBondContact O-CB 3.5Å; G497-K500 PolarHBondContact O-N 2.95Å; G497-I501 WeakPolarHBondContact O-CG1 3.27Å; G497-I501 PolarHBondContact O-N 2.96Å; G497-D551 WeakPolarHBondContact CA-OD1 3.45Å; G497-D551 PolarHBondContact N-OD1 3.37Å; G497-D551 VanDerWaalsContact N-OD1 3.09Å
498	K	89.6	Confident	89	Confident	43 Å²	43	31.1 Å²	31.1	19%	0.187	17%	0.168	C	C	.	.	H	α-helix	trans	-62.5	-44.4	174.7	-69.2	178.2	-166.7	-151.6	0	112.6	F487 C490 L493 T494 L495 T496 K500 I501 E502	F487-K498 PolarHBondContact O-NZ 3.34Å; C490-K498 WeakPolarHBondContact O-CE 3.48Å; C490-K498 PolarHBondContact O-NZ 3.44Å; L493-K498 HydrophobicContact CB-CG 3.94Å; L493-K498 VanDerWaalsContact O-CE 3.29Å; L493-K498 WeakPolarHBondContact O-CE 3.47Å; T494-K498 WeakPolarHBondContact O-CG 3.04Å; T494-K498 PolarHBondContact O-N 2.92Å; L495-K498 PolarHBondContact O-N 3.19Å; T496-K498 VanDerWaalsContact C-N 3.31Å; T496-K498 PolarHBondContact O-N 3.09Å; K498-K500 VanDerWaalsContact C-N 3.32Å; K498-K500 PolarHBondContact O-N 2.78Å; K498-I501 PolarHBondContact O-N 2.82Å; K498-E502 WeakPolarHBondContact O-CB 3.44Å; K498-E502 PolarHBondContact O-N 3.17Å
499	A	89.8	Confident	89.8	Confident	45 Å²	45	30.5 Å²	30.5	37%	0.372	16%	0.162	S	C	.	.	H	α-helix	trans	-65.7	-34.7	176.8	0	0	0	0	0	112.4	L495 T496 E502 L503	L495-A499 PolarHBondContact O-N 3.33Å; T496-A499 PolarHBondContact O-N 3.42Å; T496-A499 VanDerWaalsContact O-N 3.12Å; A499-E502 PolarHBondContact O-N 3.06Å; A499-L503 WeakPolarHBondContact O-CG 3.22Å; A499-L503 PolarHBondContact O-N 3.09Å; A499-L503 VanDerWaalsContact O-N 3.09Å
500	K	90.6	Very high	90.5	Very high	46 Å²	46	30.3 Å²	30.3	20%	0.2	16%	0.16	C	C	.	.	H	α-helix	trans	-62.9	-50.4	174	-153.9	-178.7	-155.2	176.8	0	110.7	T496 G497 K498 E502 L503 V504 I538 E541 D551 L630	T496-K500 PolarHBondContact O-N 2.97Å; G497-K500 WeakPolarHBondContact O-CB 3.5Å; G497-K500 PolarHBondContact O-N 2.95Å; K498-K500 VanDerWaalsContact C-N 3.32Å; K498-K500 PolarHBondContact O-N 2.78Å; K500-E502 VanDerWaalsContact C-N 3.34Å; K500-E502 PolarHBondContact O-N 3.47Å; K500-L503 PolarHBondContact O-N 3.3Å; K500-V504 WeakPolarHBondContact O-CG2 3.12Å; K500-V504 PolarHBondContact O-N 3.18Å; K500-I538 HydrophobicContact CD-CD1 4.24Å; K500-I538 HydrophobicContact CD-CG1 4.27Å; K500-E541 IonicContact NZ-OE2 2.77Å; K500-E541 PolarHBondContact NZ-OE2 3.25Å; K500-D551 VanDerWaalsContact CD-OD2 3.26Å; K500-D551 WeakPolarHBondContact CD-OD2 3.12Å; K500-D551 WeakPolarHBondContact CE-OD2 3.41Å; K500-D551 IonicContact NZ-OD2 3.53Å; K500-D551 PolarHBondContact NZ-OD2 2.9Å; K500-L630 HydrophobicContact CD-CD2 3.96Å; K500-L630 HydrophobicContact CG-CD2 3.91Å
501	I	92.9	Very high	91	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-58.6	-44.4	174.1	-68.3	-173.5	0	0	0	111.3	F487 L493 G497 K498 L503 V504 C505 V531 A534 R535 I538	F487-I501 HydrophobicContact CE1-CG2 3.86Å; L493-I501 HydrophobicContact CD1-CD1 3.26Å; L493-I501 HydrophobicContact CD1-CG1 4.35Å; G497-I501 WeakPolarHBondContact O-CG1 3.27Å; G497-I501 PolarHBondContact O-N 2.96Å; K498-I501 PolarHBondContact O-N 2.82Å; I501-L503 VanDerWaalsContact C-N 3.32Å; I501-L503 PolarHBondContact O-N 3.47Å; I501-V504 PolarHBondContact O-N 3.19Å; I501-C505 WeakPolarHBondContact O-CB 3.42Å; I501-C505 PolarHBondContact O-N 2.75Å; I501-C505 PolarHBondContact O-SG 2.75Å; I501-C505 VanDerWaalsContact O-SG 3.33Å; I501-V531 HydrophobicContact CG2-CG1 4.47Å; I501-V531 HydrophobicContact CG2-CG2 4.35Å; I501-A534 HydrophobicContact CB-CB 4.15Å; I501-A534 HydrophobicContact CG1-CB 3.89Å; I501-A534 HydrophobicContact CG2-CB 3.85Å; I501-R535 HydrophobicContact CD1-CG 3.53Å; I501-I538 HydrophobicContact CD1-CD1 4.11Å; I501-I538 HydrophobicContact CG1-CD1 3.57Å
502	E	93.3	Very high	91.8	Very high	52 Å²	52	27.6 Å²	27.6	24%	0.243	15%	0.145	C	C	.	.	H	α-helix	trans	-58.2	-44.2	179.6	-173.7	179	-165.1	0	0	112.4	F487 K498 A499 K500 R506	F487-E502 HydrophobicContact CE1-CB 4.41Å; F487-E502 HydrophobicContact CE2-CB 3.85Å; F487-E502 HydrophobicContact CE2-CG 3.82Å; F487-E502 HydrophobicContact CZ-CB 3.5Å; F487-E502 HydrophobicContact CZ-CG 3.79Å; K498-E502 WeakPolarHBondContact O-CB 3.44Å; K498-E502 PolarHBondContact O-N 3.17Å; A499-E502 PolarHBondContact O-N 3.06Å; K500-E502 VanDerWaalsContact C-N 3.34Å; K500-E502 PolarHBondContact O-N 3.47Å; E502-R506 HydrophobicContact CG-CG 4.5Å; E502-R506 WeakPolarHBondContact O-CB 3.33Å; E502-R506 VanDerWaalsContact O-CG 3.24Å; E502-R506 WeakPolarHBondContact O-CG 3.41Å; E502-R506 PolarHBondContact O-N 3.41Å; E502-R506 IonicContact OE1-CZ 3.54Å; E502-R506 IonicContact OE1-NE 2.81Å; E502-R506 PolarHBondContact OE1-NE 3.11Å; E502-R506 IonicContact OE1-NH2 3.89Å; E502-R506 PolarHBondContact OE1-NH2 3.21Å
503	L	93.9	Very high	92.4	Very high	46 Å²	46	26.2 Å²	26.2	24%	0.241	14%	0.138	C	C	.	.	H	α-helix	trans	-65.8	-40.8	176.7	-72.2	172.7	0	0	0	112.3	A499 K500 I501 Y507 I625	A499-L503 WeakPolarHBondContact O-CG 3.22Å; A499-L503 PolarHBondContact O-N 3.09Å; A499-L503 VanDerWaalsContact O-N 3.09Å; K500-L503 PolarHBondContact O-N 3.3Å; I501-L503 VanDerWaalsContact C-N 3.32Å; I501-L503 PolarHBondContact O-N 3.47Å; L503-Y507 WeakPolarHBondContact O-CB 3.17Å; L503-Y507 PolarHBondContact O-N 3.2Å; L503-I625 HydrophobicContact CB-CB 4.12Å; L503-I625 HydrophobicContact CB-CD1 4.31Å; L503-I625 HydrophobicContact CB-CG1 4.01Å; L503-I625 HydrophobicContact CB-CG2 4.26Å
504	V	95.5	Very high	92.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.5	-49	175.2	174.4	0	0	0	0	110.9	K500 I501 R506 Y507 L508 A534 L537 I625 L630	K500-V504 WeakPolarHBondContact O-CG2 3.12Å; K500-V504 PolarHBondContact O-N 3.18Å; I501-V504 PolarHBondContact O-N 3.19Å; V504-R506 PolarHBondContact O-N 3.22Å; V504-Y507 PolarHBondContact O-N 2.87Å; V504-L508 HydrophobicContact CG1-CD1 3.94Å; V504-L508 HydrophobicContact CG1-CG 4.31Å; V504-L508 WeakPolarHBondContact O-CB 3.15Å; V504-L508 WeakPolarHBondContact O-CG 3.24Å; V504-L508 PolarHBondContact O-N 2.9Å; V504-A534 HydrophobicContact CB-CB 3.99Å; V504-A534 HydrophobicContact CG1-CB 3.75Å; V504-L537 HydrophobicContact CG1-CD1 4.4Å; V504-I625 HydrophobicContact CG2-CD1 3.8Å; V504-I625 HydrophobicContact CG2-CG1 3.85Å; V504-L630 HydrophobicContact CG2-CD2 3.85Å
505	C	96.9	Very high	93.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59.5	-47.7	178.4	-71.5	0	0	0	0	112	L483 I501 Y507 L508 F509	L483-C505 HydrophobicContact CD1-CB 4.4Å; L483-C505 HydrophobicContact CD2-CB 3.76Å; I501-C505 WeakPolarHBondContact O-CB 3.42Å; I501-C505 PolarHBondContact O-N 2.75Å; I501-C505 PolarHBondContact O-SG 2.75Å; I501-C505 VanDerWaalsContact O-SG 3.33Å; C505-Y507 VanDerWaalsContact C-N 3.31Å; C505-Y507 PolarHBondContact O-N 3.36Å; C505-L508 PolarHBondContact O-N 3.4Å; C505-F509 HydrophobicContact CB-CE1 4.3Å; C505-F509 HydrophobicContact CB-CE2 4.07Å; C505-F509 HydrophobicContact CB-CZ 3.79Å; C505-F509 WeakPolarHBondContact O-CD1 3.46Å; C505-F509 WeakPolarHBondContact O-CD2 3.24Å; C505-F509 WeakPolarHBondContact O-CG 3.21Å; C505-F509 PolarHBondContact O-N 2.91Å
506	R	95.8	Very high	93.5	Very high	75 Å²	75	24.6 Å²	24.6	28%	0.283	13%	0.127	S	C	.	.	H	α-helix	trans	-60.7	-39.4	176.9	-73	172.4	177	-154.1	-1.5	112.1	E502 V504 E510 F617	E502-R506 HydrophobicContact CG-CG 4.5Å; E502-R506 WeakPolarHBondContact O-CB 3.33Å; E502-R506 VanDerWaalsContact O-CG 3.24Å; E502-R506 WeakPolarHBondContact O-CG 3.41Å; E502-R506 PolarHBondContact O-N 3.41Å; E502-R506 IonicContact OE1-CZ 3.54Å; E502-R506 IonicContact OE1-NE 2.81Å; E502-R506 PolarHBondContact OE1-NE 3.11Å; E502-R506 IonicContact OE1-NH2 3.89Å; E502-R506 PolarHBondContact OE1-NH2 3.21Å; V504-R506 PolarHBondContact O-N 3.22Å; R506-E510 PolarHBondContact O-N 2.8Å; R506-F617 HydrophobicContact CB-CE1 3.85Å; R506-F617 HydrophobicContact CB-CZ 4Å; R506-F617 WeakPolarHBondContact O-CZ 3.37Å
507	Y	96.4	Very high	93.6	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.008	12%	0.122	C	C	.	.	H	α-helix	trans	-64.1	-48.7	174.2	175	-132.3	0	0	0	111.4	L503 V504 C505 F509 E510 L511 T599 F617 A626 L631	L503-Y507 WeakPolarHBondContact O-CB 3.17Å; L503-Y507 PolarHBondContact O-N 3.2Å; V504-Y507 PolarHBondContact O-N 2.87Å; C505-Y507 VanDerWaalsContact C-N 3.31Å; C505-Y507 PolarHBondContact O-N 3.36Å; Y507-F509 VanDerWaalsContact C-N 3.34Å; Y507-F509 PolarHBondContact O-N 3.3Å; Y507-E510 PolarHBondContact O-N 3.3Å; Y507-L511 HydrophobicContact CD2-CB 4.41Å; Y507-L511 HydrophobicContact CE1-CD2 4.24Å; Y507-L511 HydrophobicContact CE2-CB 4.15Å; Y507-L511 HydrophobicContact CE2-CD1 4.44Å; Y507-L511 HydrophobicContact CE2-CD2 4.29Å; Y507-L511 WeakPolarHBondContact O-CB 3.45Å; Y507-L511 PolarHBondContact O-N 3.03Å; Y507-T599 PolarHBondContact OH-OG1 3.21Å; Y507-F617 HydrophobicContact CD2-CB 3.59Å; Y507-F617 HydrophobicContact CD2-CD1 4.36Å; Y507-F617 AromaticContact CD2-CD2 3.66Å; Y507-F617 HydrophobicContact CD2-CD2 3.66Å; Y507-F617 HydrophobicContact CD2-CE2 4.44Å; Y507-F617 AromaticContact CD2-CG 3.61Å; Y507-F617 HydrophobicContact CD2-CG 3.61Å; Y507-F617 HydrophobicContact CE2-CB 4.21Å; Y507-F617 HydrophobicContact CG-CB 4.08Å; Y507-F617 HydrophobicContact CG-CD1 4.37Å; Y507-F617 HydrophobicContact CG-CD2 4.42Å; Y507-F617 HydrophobicContact CG-CG 4.04Å; Y507-A626 HydrophobicContact CD1-CB 4.48Å; Y507-A626 HydrophobicContact CD2-CB 4.45Å; Y507-A626 HydrophobicContact CE1-CB 4.04Å; Y507-A626 HydrophobicContact CE2-CB 4.02Å; Y507-L631 HydrophobicContact CD1-CD1 3.75Å; Y507-L631 HydrophobicContact CE1-CD1 3.77Å
508	L	96.8	Very high	93.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-57.4	-43.6	177.4	-75.9	175.4	0	0	0	112.6	V504 C505 N512 L533 Y592 I596	V504-L508 HydrophobicContact CG1-CD1 3.94Å; V504-L508 HydrophobicContact CG1-CG 4.31Å; V504-L508 WeakPolarHBondContact O-CB 3.15Å; V504-L508 WeakPolarHBondContact O-CG 3.24Å; V504-L508 PolarHBondContact O-N 2.9Å; C505-L508 PolarHBondContact O-N 3.4Å; L508-N512 WeakPolarHBondContact O-CB 3.08Å; L508-N512 PolarHBondContact O-N 3.2Å; L508-N512 PolarHBondContact O-ND2 3.05Å; L508-L533 HydrophobicContact CD1-CD2 4.07Å; L508-L533 HydrophobicContact CD2-CD2 4.37Å; L508-Y592 HydrophobicContact CB-CD1 4.25Å; L508-Y592 HydrophobicContact CB-CE1 4.15Å; L508-Y592 HydrophobicContact CB-CG 4.47Å; L508-Y592 HydrophobicContact CD1-CD2 4.05Å; L508-Y592 HydrophobicContact CD1-CE2 4.46Å; L508-Y592 HydrophobicContact CD1-CG 4.25Å; L508-Y592 HydrophobicContact CD2-CD1 4.08Å; L508-Y592 HydrophobicContact CD2-CG 3.92Å; L508-Y592 HydrophobicContact CG-CG 4.46Å; L508-I596 HydrophobicContact CD2-CD1 3.65Å; L508-I596 HydrophobicContact CD2-CG1 3.85Å
509	F	97.1	Very high	93.9	Very high	7 Å²	7	21.9 Å²	21.9	3%	0.031	12%	0.117	C	C	.	.	H	α-helix	trans	-63.8	-46.9	180	-56.7	-19.2	0	0	0	111.4	P479 H480 L483 C505 Y507 N512 L513 K526 C527 Y592	P479-F509 HydrophobicContact CB-CD1 4.11Å; P479-F509 HydrophobicContact CB-CD2 3.78Å; P479-F509 HydrophobicContact CB-CE1 4.02Å; P479-F509 HydrophobicContact CB-CE2 3.64Å; P479-F509 HydrophobicContact CB-CG 4.02Å; P479-F509 HydrophobicContact CB-CZ 3.78Å; H480-F509 AromaticContact CE1-CD2 3.54Å; H480-F509 AromaticContact NE2-CD2 3.68Å; L483-F509 HydrophobicContact CD1-CE2 3.83Å; L483-F509 HydrophobicContact CD2-CE2 4.19Å; L483-F509 HydrophobicContact CD2-CZ 4.08Å; L483-F509 HydrophobicContact CG-CE2 4.03Å; L483-F509 HydrophobicContact CG-CZ 4.36Å; C505-F509 HydrophobicContact CB-CE1 4.3Å; C505-F509 HydrophobicContact CB-CE2 4.07Å; C505-F509 HydrophobicContact CB-CZ 3.79Å; C505-F509 WeakPolarHBondContact O-CD1 3.46Å; C505-F509 WeakPolarHBondContact O-CD2 3.24Å; C505-F509 WeakPolarHBondContact O-CG 3.21Å; C505-F509 PolarHBondContact O-N 2.91Å; Y507-F509 VanDerWaalsContact C-N 3.34Å; Y507-F509 PolarHBondContact O-N 3.3Å; F509-N512 PolarHBondContact O-N 2.84Å; F509-L513 PolarHBondContact O-N 3.13Å; F509-K526 WeakPolarHBondContact CE1-O 3.22Å; F509-C527 HydrophobicContact CZ-CB 4.21Å; F509-Y592 WeakPolarHBondContact CD1-OH 3.39Å
510	E	96.3	Very high	93.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-71.1	-38.7	179.8	-71.6	-165.6	-147.2	0	0	113.3	T396 L399 H400 R506 Y507 N512 L513 A613 K616 F617	T396-E510 HydrophobicContact CG2-CG 4.3Å; T396-E510 WeakPolarHBondContact CG2-OE1 3.37Å; T396-E510 PolarHBondContact OG1-OE1 2.78Å; L399-E510 HydrophobicContact CD2-CG 4.42Å; H400-E510 WeakPolarHBondContact CE1-CG 3.5Å; R506-E510 PolarHBondContact O-N 2.8Å; Y507-E510 PolarHBondContact O-N 3.3Å; E510-N512 PolarHBondContact O-N 3.21Å; E510-L513 HydrophobicContact CG-CD1 4.48Å; E510-L513 PolarHBondContact O-N 2.91Å; E510-A613 HydrophobicContact CB-CB 4.36Å; E510-K616 IonicContact OE1-NZ 2.71Å; E510-K616 PolarHBondContact OE1-NZ 2.98Å; E510-K616 WeakPolarHBondContact OE2-CD 3.41Å; E510-K616 VanDerWaalsContact OE2-CE 3.29Å; E510-K616 WeakPolarHBondContact OE2-CE 3.42Å; E510-K616 IonicContact OE2-NZ 3.85Å; E510-K616 PolarHBondContact OE2-NZ 3.06Å; E510-F617 HydrophobicContact CB-CE2 3.82Å; E510-F617 HydrophobicContact CB-CZ 4.44Å; E510-F617 HydrophobicContact CG-CE2 4.03Å; E510-F617 HydrophobicContact CG-CZ 4.29Å
511	L	94.6	Very high	93.9	Very high	11 Å²	11	19.6 Å²	19.6	6%	0.058	10%	0.104	C	C	.	.	H	α-helix	trans	-58.6	-32.2	175.6	178.7	62.2	0	0	0	112.2	Y507 T514 I596 T599 A613	Y507-L511 HydrophobicContact CD2-CB 4.41Å; Y507-L511 HydrophobicContact CE1-CD2 4.24Å; Y507-L511 HydrophobicContact CE2-CB 4.15Å; Y507-L511 HydrophobicContact CE2-CD1 4.44Å; Y507-L511 HydrophobicContact CE2-CD2 4.29Å; Y507-L511 WeakPolarHBondContact O-CB 3.45Å; Y507-L511 PolarHBondContact O-N 3.03Å; L511-T514 PolarHBondContact O-OG1 3.32Å; L511-T514 VanDerWaalsContact O-OG1 3.13Å; L511-I596 HydrophobicContact CD2-CG1 4.25Å; L511-T599 HydrophobicContact CD1-CG2 3.66Å; L511-A613 HydrophobicContact CB-CB 4.34Å; L511-A613 HydrophobicContact CD1-CB 4.44Å
512	N	95.7	Very high	93.9	Very high	4 Å²	4	19.8 Å²	19.8	2%	0.021	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	5	-175	-72.5	-96.7	0	0	0	113.6	L508 F509 E510 T514 E515 T518 Y592 S595	L508-N512 WeakPolarHBondContact O-CB 3.08Å; L508-N512 PolarHBondContact O-N 3.2Å; L508-N512 PolarHBondContact O-ND2 3.05Å; F509-N512 PolarHBondContact O-N 2.84Å; E510-N512 PolarHBondContact O-N 3.21Å; N512-T514 PolarHBondContact O-N 3.19Å; N512-E515 PolarHBondContact O-N 2.82Å; N512-T518 HydrophobicContact CB-CG2 4.09Å; N512-T518 PolarHBondContact O-OG1 3.43Å; N512-Y592 HydrophobicContact CB-CD1 4.42Å; N512-Y592 HydrophobicContact CB-CE1 4.07Å; N512-Y592 VanDerWaalsContact ND2-CD1 3.32Å; N512-Y592 WeakPolarHBondContact ND2-CD1 3.42Å; N512-S595 WeakPolarHBondContact OD1-CB 3.3Å; N512-S595 PolarHBondContact OD1-OG 2.98Å
513	L	96.6	Very high	93.9	Very high	17 Å²	17	17.6 Å²	17.6	9%	0.089	10%	0.095	C	C	.	.	S	Bend	trans	-59.8	-33.5	170.3	-69.7	174.8	0	0	0	111.9	R378 C382 I386 L399 V403 F509 E510	R378-L513 PolarHBondContact NH1-O 2.79Å; R378-L513 PolarHBondContact NH2-O 3.41Å; C382-L513 HydrophobicContact CB-CB 4.49Å; C382-L513 PolarHBondContact SG-O 3.48Å; I386-L513 HydrophobicContact CD1-CD1 4.39Å; I386-L513 HydrophobicContact CG1-CD1 4.22Å; L399-L513 HydrophobicContact CD1-CD1 4.34Å; L399-L513 HydrophobicContact CD2-CD1 3.88Å; L399-L513 HydrophobicContact CG-CD1 3.92Å; V403-L513 HydrophobicContact CB-CD2 4.13Å; V403-L513 HydrophobicContact CG1-CD2 4.06Å; V403-L513 HydrophobicContact CG2-CD1 4.34Å; V403-L513 HydrophobicContact CG2-CD2 4.27Å; F509-L513 PolarHBondContact O-N 3.13Å; E510-L513 HydrophobicContact CG-CD1 4.48Å; E510-L513 PolarHBondContact O-N 2.91Å
514	T	94.3	Very high	93.9	Very high	13 Å²	13	15.4 Å²	15.4	8%	0.08	8%	0.084	C	C	.	.	S	Bend	trans	-75.9	-27.7	-179.9	51.8	0	0	0	0	113	R378 C382 D383 L511 N512 L516 Y610	R378-T514 PolarHBondContact NH1-O 3Å; C382-T514 HydrophobicContact CB-CG2 4.04Å; D383-T514 HydrophobicContact CB-CG2 4.29Å; L511-T514 PolarHBondContact O-OG1 3.32Å; L511-T514 VanDerWaalsContact O-OG1 3.13Å; N512-T514 PolarHBondContact O-N 3.19Å; T514-L516 PolarHBondContact O-N 3.1Å; T514-Y610 HydrophobicContact CG2-CG 4.42Å
515	E	92.7	Very high	93.8	Very high	36 Å²	36	15.8 Å²	15.8	17%	0.168	9%	0.086	C	C	.	.			trans	-77.7	113.3	-177.1	-66.2	-72.5	139.9	0	0	111.9	N512 S517 T518 R598	N512-E515 PolarHBondContact O-N 2.82Å; E515-S517 VanDerWaalsContact C-N 3.26Å; E515-S517 PolarHBondContact O-N 2.95Å; E515-T518 HydrophobicContact CB-CG2 4.01Å; E515-T518 PolarHBondContact O-N 3.29Å; E515-T518 PolarHBondContact O-OG1 2.96Å; E515-R598 IonicContact OE1-CZ 2.85Å; E515-R598 IonicContact OE1-NH1 3.66Å; E515-R598 PolarHBondContact OE1-NH1 3.05Å; E515-R598 IonicContact OE2-CZ 3.98Å; E515-R598 IonicContact OE2-NH1 3.7Å; E515-R598 PolarHBondContact OE2-NH1 3.33Å
516	L	91.9	Very high	93.7	Very high	36 Å²	36	17.7 Å²	17.7	19%	0.188	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-62.6	-32.7	-180	179	62.1	0	0	0	112.9	F367 L368 E375 T514 T518 A519	F367-L516 HydrophobicContact CE1-CD1 3.63Å; F367-L516 HydrophobicContact CZ-CD1 3.52Å; L368-L516 HydrophobicContact CD1-CD1 3.85Å; L368-L516 HydrophobicContact CD1-CD2 3.81Å; L368-L516 HydrophobicContact CD1-CG 4.48Å; E375-L516 HydrophobicContact CB-CD2 3.92Å; E375-L516 HydrophobicContact CG-CB 3.86Å; E375-L516 HydrophobicContact CG-CD2 4.04Å; E375-L516 VanDerWaalsContact OE1-CB 3.29Å; E375-L516 WeakPolarHBondContact OE1-CB 3.4Å; T514-L516 PolarHBondContact O-N 3.1Å; L516-T518 PolarHBondContact O-N 3.21Å; L516-A519 HydrophobicContact CD1-CB 4.34Å; L516-A519 VanDerWaalsContact O-CB 3.28Å; L516-A519 WeakPolarHBondContact O-CB 3.49Å; L516-A519 PolarHBondContact O-N 3.22Å
517	S	88.8	Confident	93.7	Very high	55 Å²	55	14.1 Å²	14.1	39%	0.385	8%	0.081	S	C	.	.	G	3₁₀ helix	trans	-54.9	-23.3	177.5	59	0	0	0	0	113.5	E515	E515-S517 VanDerWaalsContact C-N 3.26Å; E515-S517 PolarHBondContact O-N 2.95Å
518	T	90.7	Very high	93.7	Very high	6 Å²	6	14 Å²	14	4%	0.037	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-95.4	-9	-179.3	79.4	0	0	0	0	113.6	N512 E515 L516 S520 T521 K526 M588 I591	N512-T518 HydrophobicContact CB-CG2 4.09Å; N512-T518 PolarHBondContact O-OG1 3.43Å; E515-T518 HydrophobicContact CB-CG2 4.01Å; E515-T518 PolarHBondContact O-N 3.29Å; E515-T518 PolarHBondContact O-OG1 2.96Å; L516-T518 PolarHBondContact O-N 3.21Å; T518-S520 VanDerWaalsContact C-N 3.34Å; T518-S520 PolarHBondContact O-N 3.35Å; T518-T521 PolarHBondContact O-N 3.24Å; T518-K526 WeakPolarHBondContact O-CE 3.35Å; T518-K526 PolarHBondContact O-NZ 3.38Å; T518-M588 HydrophobicContact CG2-CE 3.57Å; T518-M588 HydrophobicContact CG2-SD 4.24Å; T518-I591 HydrophobicContact CG2-CG2 3.71Å
519	A	90.3	Very high	93.6	Very high	7 Å²	7	14 Å²	14	6%	0.058	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-42.8	-174	0	0	0	0	0	112.1	W411 L516 T521	W411-A519 VanDerWaalsContact CH2-O 3.31Å; W411-A519 WeakPolarHBondContact CH2-O 3.4Å; W411-A519 HydrophobicContact CZ2-CB 4.26Å; W411-A519 WeakPolarHBondContact CZ2-O 3.26Å; L516-A519 HydrophobicContact CD1-CB 4.34Å; L516-A519 VanDerWaalsContact O-CB 3.28Å; L516-A519 WeakPolarHBondContact O-CB 3.49Å; L516-A519 PolarHBondContact O-N 3.22Å; A519-T521 VanDerWaalsContact C-N 3.34Å; A519-T521 PolarHBondContact O-N 3.03Å
520	S	88.9	Confident	93.6	Very high	25 Å²	25	13.7 Å²	13.7	18%	0.175	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-11.6	177	51.7	0	0	0	0	115.1	T518	T518-S520 VanDerWaalsContact C-N 3.34Å; T518-S520 PolarHBondContact O-N 3.35Å
521	T	92.5	Very high	93.6	Very high	19 Å²	19	13.7 Å²	13.7	12%	0.117	8%	0.079	C	C	.	.	S	Bend	trans	-80.1	130.1	-174.2	-49.8	0	0	0	0	111.3	T518 A519 V525 K526 M588	T518-T521 PolarHBondContact O-N 3.24Å; A519-T521 VanDerWaalsContact C-N 3.34Å; A519-T521 PolarHBondContact O-N 3.03Å; T521-V525 HydrophobicContact CG2-CB 3.95Å; T521-V525 HydrophobicContact CG2-CG1 3.68Å; T521-K526 HydrophobicContact CG2-CG 4.18Å; T521-K526 WeakPolarHBondContact O-CE 3.31Å; T521-K526 PolarHBondContact O-NZ 3.5Å; T521-M588 HydrophobicContact CG2-CG 4.3Å; T521-M588 HydrophobicContact CG2-SD 3.76Å
522	L	93.1	Very high	93.6	Very high	5 Å²	5	13.3 Å²	13.3	3%	0.026	8%	0.077	C	C	.	.			trans	-49.4	141.7	174.5	-64.9	171.1	0	0	0	112.7	Y320 D356 L357 A360 S524 V525 K526	Y320-L522 HydrophobicContact CD1-CD1 4.19Å; Y320-L522 HydrophobicContact CE1-CD1 4.19Å; D356-L522 HydrophobicContact CB-CD2 4.42Å; D356-L522 WeakPolarHBondContact O-CD2 3.32Å; D356-L522 WeakPolarHBondContact OD1-CA 3.43Å; D356-L522 WeakPolarHBondContact OD2-CB 3.27Å; L357-L522 HydrophobicContact CD2-CD1 3.91Å; L357-L522 HydrophobicContact CD2-CD2 4.05Å; A360-L522 HydrophobicContact CB-CD2 3.6Å; L522-S524 VanDerWaalsContact C-N 3.31Å; L522-S524 PolarHBondContact O-N 3.1Å; L522-V525 HydrophobicContact CB-CB 4.13Å; L522-V525 HydrophobicContact CB-CG2 3.93Å; L522-V525 HydrophobicContact CD1-CG2 4.14Å; L522-V525 PolarHBondContact O-N 2.71Å; L522-K526 WeakPolarHBondContact O-CG 3.4Å; L522-K526 PolarHBondContact O-N 2.88Å
523	A	94.1	Very high	93.6	Very high	5 Å²	5	13.1 Å²	13.1	4%	0.041	8%	0.076	C	C	.	.	H	α-helix	trans	-62.3	-38.2	177.2	0	0	0	0	0	112.5	D356 P477 P479 F482 C527	D356-A523 VanDerWaalsContact CG-N 3.29Å; D356-A523 WeakPolarHBondContact OD1-CB 3.21Å; D356-A523 PolarHBondContact OD1-N 3.23Å; D356-A523 PolarHBondContact OD2-N 3.3Å; P477-A523 WeakPolarHBondContact O-CB 3.32Å; P479-A523 HydrophobicContact CG-CB 4.17Å; F482-A523 HydrophobicContact CD2-CB 4.29Å; F482-A523 HydrophobicContact CE2-CB 3.73Å; A523-C527 WeakPolarHBondContact O-CB 3.39Å; A523-C527 PolarHBondContact O-N 3.42Å
524	S	92	Very high	93.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-57	-51.1	170.7	48.3	0	0	0	0	112.4	F353 D356 L522 C527 A528	F353-S524 WeakPolarHBondContact CE1-OG 3.46Å; D356-S524 VanDerWaalsContact OD2-CB 3.31Å; D356-S524 WeakPolarHBondContact OD2-CB 3.47Å; D356-S524 PolarHBondContact OD2-N 2.85Å; D356-S524 PolarHBondContact OD2-OG 3.04Å; L522-S524 VanDerWaalsContact C-N 3.31Å; L522-S524 PolarHBondContact O-N 3.1Å; S524-C527 WeakPolarHBondContact O-CB 3.43Å; S524-C527 PolarHBondContact O-N 3.48Å; S524-A528 WeakPolarHBondContact O-CB 3.39Å; S524-A528 PolarHBondContact O-N 2.88Å
525	V	94	Very high	93.5	Very high	8 Å²	8	11.7 Å²	11.7	5%	0.048	7%	0.068	C	C	.	.	H	α-helix	trans	-63.9	-44.7	177.7	173.8	0	0	0	0	111.5	T521 L522 C527 A528 A529 H579 L585 M588	T521-V525 HydrophobicContact CG2-CB 3.95Å; T521-V525 HydrophobicContact CG2-CG1 3.68Å; L522-V525 HydrophobicContact CB-CB 4.13Å; L522-V525 HydrophobicContact CB-CG2 3.93Å; L522-V525 HydrophobicContact CD1-CG2 4.14Å; L522-V525 PolarHBondContact O-N 2.71Å; V525-C527 VanDerWaalsContact C-N 3.29Å; V525-C527 PolarHBondContact O-N 2.62Å; V525-A528 PolarHBondContact O-N 2.96Å; V525-A529 VanDerWaalsContact O-CB 3.25Å; V525-A529 WeakPolarHBondContact O-CB 3.3Å; V525-A529 PolarHBondContact O-N 2.7Å; V525-H579 WeakPolarHBondContact CG2-NE2 3.48Å; V525-L585 HydrophobicContact CG1-CD2 4.14Å; V525-M588 HydrophobicContact CG1-CB 4.21Å
526	K	95.8	Very high	93.4	Very high	40 Å²	40	10.1 Å²	10.1	17%	0.174	6%	0.061	C	C	.	.	H	α-helix	trans	-53.4	-47.8	172.9	-79	164.9	170.7	148.7	0	110.8	P479 F509 T518 T521 L522 G530 M588 Y592	P479-K526 HydrophobicContact CB-CB 4.17Å; P479-K526 HydrophobicContact CG-CB 3.83Å; P479-K526 HydrophobicContact CG-CD 3.94Å; F509-K526 WeakPolarHBondContact CE1-O 3.22Å; T518-K526 WeakPolarHBondContact O-CE 3.35Å; T518-K526 PolarHBondContact O-NZ 3.38Å; T521-K526 HydrophobicContact CG2-CG 4.18Å; T521-K526 WeakPolarHBondContact O-CE 3.31Å; T521-K526 PolarHBondContact O-NZ 3.5Å; L522-K526 WeakPolarHBondContact O-CG 3.4Å; L522-K526 PolarHBondContact O-N 2.88Å; K526-G530 PolarHBondContact O-N 2.85Å; K526-M588 HydrophobicContact CG-CE 3.96Å; K526-M588 HydrophobicContact CG-SD 4.36Å; K526-Y592 WeakPolarHBondContact CA-OH 3.4Å; K526-Y592 WeakPolarHBondContact CB-OH 3.35Å; K526-Y592 WeakPolarHBondContact O-CE2 3.43Å; K526-Y592 PolarHBondContact O-OH 3.46Å
527	C	95.8	Very high	93.4	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-63.8	-51	177.9	-174.3	0	0	0	0	112.7	P479 F482 L483 F509 A523 S524 V525 A529 G530 V531 M577	P479-C527 HydrophobicContact CB-CB 4.32Å; F482-C527 VanDerWaalsContact C-SG 3.57Å; F482-C527 HydrophobicContact CB-CB 3.66Å; F482-C527 HydrophobicContact CG-CB 4.47Å; L483-C527 VanDerWaalsContact CD2-SG 3.56Å; F509-C527 HydrophobicContact CZ-CB 4.21Å; A523-C527 WeakPolarHBondContact O-CB 3.39Å; A523-C527 PolarHBondContact O-N 3.42Å; S524-C527 WeakPolarHBondContact O-CB 3.43Å; S524-C527 PolarHBondContact O-N 3.48Å; V525-C527 VanDerWaalsContact C-N 3.29Å; V525-C527 PolarHBondContact O-N 2.62Å; C527-A529 PolarHBondContact O-N 3.27Å; C527-G530 PolarHBondContact O-N 3.36Å; C527-G530 VanDerWaalsContact O-N 3.16Å; C527-V531 WeakPolarHBondContact O-CG2 3.31Å; C527-V531 PolarHBondContact O-N 2.89Å; C527-M577 HydrophobicContact CB-CE 4.24Å
528	A	95.1	Very high	93.5	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-62.5	-43.5	-177.5	0	0	0	0	0	112.3	S524 V525 G530 V531 Y532 W569 M577 H579 L585	S524-A528 WeakPolarHBondContact O-CB 3.39Å; S524-A528 PolarHBondContact O-N 2.88Å; V525-A528 PolarHBondContact O-N 2.96Å; A528-G530 VanDerWaalsContact C-N 3.31Å; A528-G530 PolarHBondContact O-N 3.13Å; A528-V531 PolarHBondContact O-N 3.49Å; A528-Y532 WeakPolarHBondContact O-CB 3.42Å; A528-Y532 PolarHBondContact O-N 3.37Å; A528-W569 HydrophobicContact CB-CH2 3.72Å; A528-W569 HydrophobicContact CB-CZ2 4.07Å; A528-W569 WeakPolarHBondContact O-CH2 3.24Å; A528-W569 VanDerWaalsContact O-CZ3 3.32Å; A528-W569 WeakPolarHBondContact O-CZ3 3.26Å; A528-M577 HydrophobicContact CB-CE 4.21Å; A528-H579 HydrophobicContact CB-CB 4.35Å; A528-L585 HydrophobicContact CB-CD1 3.85Å; A528-L585 HydrophobicContact CB-CD2 3.66Å; A528-L585 HydrophobicContact CB-CG 4.42Å
529	A	96	Very high	93.4	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-63.6	-34.4	174.1	0	0	0	0	0	112.9	V525 C527 L533 L585 M588 V589 Y592	V525-A529 VanDerWaalsContact O-CB 3.25Å; V525-A529 WeakPolarHBondContact O-CB 3.3Å; V525-A529 PolarHBondContact O-N 2.7Å; C527-A529 PolarHBondContact O-N 3.27Å; A529-L533 WeakPolarHBondContact O-CB 3.44Å; A529-L533 PolarHBondContact O-N 2.97Å; A529-L585 HydrophobicContact CB-CB 4.37Å; A529-M588 HydrophobicContact CB-CB 3.73Å; A529-M588 HydrophobicContact CB-CG 3.74Å; A529-V589 HydrophobicContact CB-CG2 3.79Å; A529-Y592 HydrophobicContact CB-CD2 4.27Å; A529-Y592 HydrophobicContact CB-CE2 3.99Å
530	G	96.7	Very high	93.2	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-68	-44.8	176.6	0	0	0	0	0	111.8	K526 C527 A528 L533 A534	K526-G530 PolarHBondContact O-N 2.85Å; C527-G530 PolarHBondContact O-N 3.36Å; C527-G530 VanDerWaalsContact O-N 3.16Å; A528-G530 VanDerWaalsContact C-N 3.31Å; A528-G530 PolarHBondContact O-N 3.13Å; G530-L533 PolarHBondContact O-N 2.75Å; G530-A534 WeakPolarHBondContact O-CB 3.5Å; G530-A534 PolarHBondContact O-N 2.96Å
531	V	95.7	Very high	93	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-65.3	-41.2	175.4	175.8	0	0	0	0	110.9	L483 A486 I501 C527 A528 A534 R535 W569 L573	L483-V531 HydrophobicContact CD2-CG2 4.03Å; A486-V531 HydrophobicContact CB-CG2 3.94Å; I501-V531 HydrophobicContact CG2-CG1 4.47Å; I501-V531 HydrophobicContact CG2-CG2 4.35Å; C527-V531 WeakPolarHBondContact O-CG2 3.31Å; C527-V531 PolarHBondContact O-N 2.89Å; A528-V531 PolarHBondContact O-N 3.49Å; V531-A534 PolarHBondContact O-N 2.97Å; V531-R535 HydrophobicContact CG1-CG 4.45Å; V531-R535 WeakPolarHBondContact O-CB 3.33Å; V531-R535 VanDerWaalsContact O-CG 3.31Å; V531-R535 WeakPolarHBondContact O-CG 3.5Å; V531-R535 PolarHBondContact O-N 2.82Å; V531-W569 HydrophobicContact CB-CZ3 4.21Å; V531-W569 HydrophobicContact CG1-CZ3 4.11Å; V531-L573 HydrophobicContact CG1-CD2 3.98Å
532	Y	95.4	Very high	92.5	Very high	4 Å²	4	10.5 Å²	10.5	2%	0.016	5%	0.046	C	C	.	.	H	α-helix	trans	-55.6	-54	174	-179.6	-86.4	0	0	0	111.2	A528 A534 R535 E536 W569 V582 L586 V589 K646	A528-Y532 WeakPolarHBondContact O-CB 3.42Å; A528-Y532 PolarHBondContact O-N 3.37Å; Y532-A534 PolarHBondContact O-N 3.33Å; Y532-R535 PolarHBondContact O-N 2.77Å; Y532-E536 WeakPolarHBondContact O-CB 3.42Å; Y532-E536 PolarHBondContact O-N 3.02Å; Y532-W569 HydrophobicContact CD2-CB 3.85Å; Y532-W569 HydrophobicContact CD2-CD2 4.09Å; Y532-W569 AromaticContact CD2-CE3 3.82Å; Y532-W569 HydrophobicContact CD2-CE3 3.82Å; Y532-W569 HydrophobicContact CD2-CG 4.15Å; Y532-W569 HydrophobicContact CE2-CB 3.95Å; Y532-W569 HydrophobicContact CG-CE3 4.35Å; Y532-V582 HydrophobicContact CD2-CG1 4.12Å; Y532-V582 HydrophobicContact CE2-CG1 3.54Å; Y532-L586 HydrophobicContact CE1-CD2 4.26Å; Y532-V589 HydrophobicContact CD1-CG1 4.08Å; Y532-V589 HydrophobicContact CD1-CG2 3.7Å; Y532-V589 HydrophobicContact CE1-CG1 4.39Å; Y532-V589 HydrophobicContact CE1-CG2 4.42Å; Y532-V589 HydrophobicContact CG-CG2 4.3Å; Y532-K646 PolarHBondContact OH-NZ 2.9Å
533	L	95.4	Very high	92	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-63.5	-41.5	-178.5	-176.5	55.3	0	0	0	111.8	L508 A529 G530 R535 E536 L537 V589 V593 I596 I639	L508-L533 HydrophobicContact CD1-CD2 4.07Å; L508-L533 HydrophobicContact CD2-CD2 4.37Å; A529-L533 WeakPolarHBondContact O-CB 3.44Å; A529-L533 PolarHBondContact O-N 2.97Å; G530-L533 PolarHBondContact O-N 2.75Å; L533-R535 VanDerWaalsContact C-N 3.33Å; L533-R535 PolarHBondContact O-N 2.76Å; L533-E536 WeakPolarHBondContact O-CB 3.32Å; L533-E536 PolarHBondContact O-N 2.9Å; L533-L537 HydrophobicContact CD1-CD1 4.39Å; L533-L537 HydrophobicContact CD1-CG 4.32Å; L533-L537 HydrophobicContact CG-CD1 4.08Å; L533-L537 WeakPolarHBondContact O-CD1 3.48Å; L533-L537 VanDerWaalsContact O-CG 3.25Å; L533-L537 WeakPolarHBondContact O-CG 3.34Å; L533-L537 PolarHBondContact O-N 3.25Å; L533-V589 HydrophobicContact CB-CG1 4.19Å; L533-V589 HydrophobicContact CD1-CG1 4.1Å; L533-V593 HydrophobicContact CD1-CG2 3.8Å; L533-V593 HydrophobicContact CD2-CG2 3.99Å; L533-I596 HydrophobicContact CD2-CD1 4.12Å; L533-I639 HydrophobicContact CD1-CG2 4.33Å
534	A	94.6	Very high	91.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63.7	-37	177.5	0	0	0	0	0	112.6	I501 V504 G530 V531 Y532 I538	I501-A534 HydrophobicContact CB-CB 4.15Å; I501-A534 HydrophobicContact CG1-CB 3.89Å; I501-A534 HydrophobicContact CG2-CB 3.85Å; V504-A534 HydrophobicContact CB-CB 3.99Å; V504-A534 HydrophobicContact CG1-CB 3.75Å; G530-A534 WeakPolarHBondContact O-CB 3.5Å; G530-A534 PolarHBondContact O-N 2.96Å; V531-A534 PolarHBondContact O-N 2.97Å; Y532-A534 PolarHBondContact O-N 3.33Å; A534-I538 WeakPolarHBondContact O-CG1 3.46Å; A534-I538 PolarHBondContact O-N 3.36Å; A534-I538 VanDerWaalsContact O-N 3.17Å
535	R	93.3	Very high	90.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-68.4	-41.5	172.1	-69.9	177.6	64.6	88.2	13.9	111.6	D492 I501 V531 Y532 L533 L537 I538 R539 F566 E567 T568	D492-R535 IonicContact OD1-CZ 2.64Å; D492-R535 IonicContact OD1-NH1 3.18Å; D492-R535 PolarHBondContact OD1-NH1 3.12Å; D492-R535 IonicContact OD1-NH2 3.76Å; D492-R535 IonicContact OD2-CZ 3.07Å; D492-R535 VanDerWaalsContact OD2-CZ 3.26Å; D492-R535 IonicContact OD2-NH1 3.8Å; D492-R535 PolarHBondContact OD2-NH1 3.27Å; D492-R535 IonicContact OD2-NH2 3.62Å; D492-R535 PolarHBondContact OD2-NH2 3.3Å; I501-R535 HydrophobicContact CD1-CG 3.53Å; V531-R535 HydrophobicContact CG1-CG 4.45Å; V531-R535 WeakPolarHBondContact O-CB 3.33Å; V531-R535 VanDerWaalsContact O-CG 3.31Å; V531-R535 WeakPolarHBondContact O-CG 3.5Å; V531-R535 PolarHBondContact O-N 2.82Å; Y532-R535 PolarHBondContact O-N 2.77Å; L533-R535 VanDerWaalsContact C-N 3.33Å; L533-R535 PolarHBondContact O-N 2.76Å; R535-L537 PolarHBondContact O-N 3.33Å; R535-I538 PolarHBondContact O-N 2.84Å; R535-R539 PolarHBondContact O-N 3.49Å; R535-F566 HydrophobicContact CB-CE1 4.19Å; R535-F566 HydrophobicContact CB-CZ 4.41Å; R535-F566 HydrophobicContact CG-CZ 4.44Å; R535-F566 WeakPolarHBondContact O-CE1 3.49Å; R535-E567 PolarHBondContact NH2-O 2.83Å; R535-T568 HydrophobicContact CB-CG2 4.43Å; R535-T568 WeakPolarHBondContact CD-O 3.44Å; R535-T568 PolarHBondContact NE-O 3.5Å
536	E	91.7	Very high	88.7	Confident	3 Å²	3	28.8 Å²	28.8	1%	0.014	15%	0.15	C	C	.	.	H	α-helix	trans	-59	-44.6	175.9	-164.8	72.8	-154.8	0	0	111.9	Y532 L533 R539 L540 T568 I639	Y532-E536 WeakPolarHBondContact O-CB 3.42Å; Y532-E536 PolarHBondContact O-N 3.02Å; L533-E536 WeakPolarHBondContact O-CB 3.32Å; L533-E536 PolarHBondContact O-N 2.9Å; E536-R539 PolarHBondContact O-N 3.33Å; E536-R539 IonicContact OE1-CZ 2.74Å; E536-R539 IonicContact OE1-NH1 2.69Å; E536-R539 PolarHBondContact OE1-NH1 3.35Å; E536-R539 IonicContact OE1-NH2 2.67Å; E536-R539 PolarHBondContact OE1-NH2 3.25Å; E536-R539 IonicContact OE2-NH1 2.66Å; E536-R539 PolarHBondContact OE2-NH1 3.04Å; E536-L540 WeakPolarHBondContact O-CG 3.33Å; E536-L540 PolarHBondContact O-N 3.3Å; E536-T568 HydrophobicContact CB-CG2 4.37Å; E536-T568 VanDerWaalsContact OE2-CB 3.24Å; E536-T568 WeakPolarHBondContact OE2-CB 3.46Å; E536-T568 VanDerWaalsContact OE2-CG2 3.3Å; E536-T568 WeakPolarHBondContact OE2-CG2 3.26Å; E536-T568 PolarHBondContact OE2-OG1 2.93Å; E536-I639 HydrophobicContact CG-CG1 4.48Å
537	L	92.3	Very high	87	Confident	3 Å²	3	27.9 Å²	27.9	2%	0.016	15%	0.148	C	C	.	.	H	α-helix	trans	-62.8	-42.7	175.8	-68.1	162.7	0	0	0	112.4	V504 L533 R535 L540 E541 L630 L631 A634 Y636 I639	V504-L537 HydrophobicContact CG1-CD1 4.4Å; L533-L537 HydrophobicContact CD1-CD1 4.39Å; L533-L537 HydrophobicContact CD1-CG 4.32Å; L533-L537 HydrophobicContact CG-CD1 4.08Å; L533-L537 WeakPolarHBondContact O-CD1 3.48Å; L533-L537 VanDerWaalsContact O-CG 3.25Å; L533-L537 WeakPolarHBondContact O-CG 3.34Å; L533-L537 PolarHBondContact O-N 3.25Å; R535-L537 PolarHBondContact O-N 3.33Å; L537-L540 PolarHBondContact O-N 2.91Å; L537-E541 PolarHBondContact O-N 3.17Å; L537-L630 HydrophobicContact CB-CD1 3.77Å; L537-L630 HydrophobicContact CB-CG 4.13Å; L537-L630 WeakPolarHBondContact O-CD1 3.44Å; L537-L631 HydrophobicContact CD1-CD2 3.59Å; L537-A634 HydrophobicContact CD2-CB 3.49Å; L537-A634 VanDerWaalsContact CD2-CB 3.49Å; L537-Y636 HydrophobicContact CD2-CE1 4.21Å; L537-I639 HydrophobicContact CD2-CD1 3.98Å
538	I	89.9	Confident	85	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.6	-39.4	176.4	-69.7	168.8	0	0	0	110.9	K500 I501 A534 R535 L540 E541 Y542 L630	K500-I538 HydrophobicContact CD-CD1 4.24Å; K500-I538 HydrophobicContact CD-CG1 4.27Å; I501-I538 HydrophobicContact CD1-CD1 4.11Å; I501-I538 HydrophobicContact CG1-CD1 3.57Å; A534-I538 WeakPolarHBondContact O-CG1 3.46Å; A534-I538 PolarHBondContact O-N 3.36Å; A534-I538 VanDerWaalsContact O-N 3.17Å; R535-I538 PolarHBondContact O-N 2.84Å; I538-L540 VanDerWaalsContact C-N 3.34Å; I538-L540 PolarHBondContact O-N 3.04Å; I538-E541 PolarHBondContact O-N 3.47Å; I538-Y542 PolarHBondContact O-N 3.49Å; I538-L630 HydrophobicContact CG1-CD1 4.08Å; I538-L630 HydrophobicContact CG1-CD2 4.39Å
539	R	88.7	Confident	83.2	Confident	38 Å²	38	39.5 Å²	39.5	14%	0.143	21%	0.209	C	C	.	.	H	α-helix	trans	-59.1	-47.5	174.8	-161	-170.9	74.3	-115.6	-15.9	110.8	R535 E536 E541 Y542 E543 F566 T568	R535-R539 PolarHBondContact O-N 3.49Å; E536-R539 PolarHBondContact O-N 3.33Å; E536-R539 IonicContact OE1-CZ 2.74Å; E536-R539 IonicContact OE1-NH1 2.69Å; E536-R539 PolarHBondContact OE1-NH1 3.35Å; E536-R539 IonicContact OE1-NH2 2.67Å; E536-R539 PolarHBondContact OE1-NH2 3.25Å; E536-R539 IonicContact OE2-NH1 2.66Å; E536-R539 PolarHBondContact OE2-NH1 3.04Å; R539-E541 PolarHBondContact O-N 3.33Å; R539-Y542 PolarHBondContact O-N 2.95Å; R539-E543 WeakPolarHBondContact CD-OE1 3.16Å; R539-E543 HydrophobicContact CG-CG 4.36Å; R539-E543 WeakPolarHBondContact CG-OE1 3.45Å; R539-E543 IonicContact CZ-OE1 2.66Å; R539-E543 IonicContact NE-OE1 2.73Å; R539-E543 PolarHBondContact NE-OE1 3.47Å; R539-E543 IonicContact NE-OE2 3.87Å; R539-E543 IonicContact NH2-OE2 3.06Å; R539-E543 WeakPolarHBondContact O-CB 3.45Å; R539-E543 WeakPolarHBondContact O-CG 3.45Å; R539-E543 PolarHBondContact O-N 2.99Å; R539-F566 HydrophobicContact CB-CD1 3.79Å; R539-F566 HydrophobicContact CB-CE1 4.29Å; R539-F566 VanDerWaalsContact CD-O 3.26Å; R539-F566 WeakPolarHBondContact CD-O 3.4Å; R539-F566 HydrophobicContact CG-CB 4.42Å; R539-F566 HydrophobicContact CG-CD1 3.92Å; R539-T568 HydrophobicContact CB-CG2 3.83Å; R539-T568 HydrophobicContact CG-CG2 4.35Å; R539-T568 VanDerWaalsContact NH1-CG2 3.27Å
540	L	86.8	Confident	81.9	Confident	15 Å²	15	44.3 Å²	44.3	8%	0.079	23%	0.234	C	C	.	.	H	α-helix	trans	-65.8	-36.6	179.4	-68	168.2	0	0	0	112.5	E536 L537 I538 Y542 N544 F638 I639	E536-L540 WeakPolarHBondContact O-CG 3.33Å; E536-L540 PolarHBondContact O-N 3.3Å; L537-L540 PolarHBondContact O-N 2.91Å; I538-L540 VanDerWaalsContact C-N 3.34Å; I538-L540 PolarHBondContact O-N 3.04Å; L540-Y542 VanDerWaalsContact C-N 3.32Å; L540-Y542 PolarHBondContact O-N 3.28Å; L540-N544 VanDerWaalsContact O-CB 3.32Å; L540-N544 WeakPolarHBondContact O-CB 3.47Å; L540-N544 PolarHBondContact O-N 3.16Å; L540-N544 PolarHBondContact O-ND2 2.7Å; L540-F638 HydrophobicContact CD2-CD1 4.04Å; L540-F638 HydrophobicContact CD2-CE1 3.92Å; L540-I639 HydrophobicContact CD1-CD1 3.64Å; L540-I639 HydrophobicContact CD1-CG1 3.55Å
541	E	85.1	Confident	80.5	Confident	17 Å²	17	44.9 Å²	44.9	8%	0.079	24%	0.237	C	C	.	.	H	α-helix	trans	-65.9	-35.1	175.1	-164.8	177.2	-132.1	0	0	111.9	K500 L537 I538 R539 K546 S547 S629 L630	K500-E541 IonicContact NZ-OE2 2.77Å; K500-E541 PolarHBondContact NZ-OE2 3.25Å; L537-E541 PolarHBondContact O-N 3.17Å; I538-E541 PolarHBondContact O-N 3.47Å; R539-E541 PolarHBondContact O-N 3.33Å; E541-K546 HydrophobicContact CG-CB 3.95Å; E541-K546 PolarHBondContact O-N 3.4Å; E541-S547 PolarHBondContact O-N 3.2Å; E541-S547 VanDerWaalsContact O-N 3.16Å; E541-S629 PolarHBondContact OE1-OG 3.37Å; E541-L630 HydrophobicContact CB-CD1 4.08Å
542	Y	82.2	Confident	79.4	Confident	83 Å²	83	45.6 Å²	45.6	33%	0.325	24%	0.241	S	C	.	.	H	α-helix	trans	-72.5	-47.2	173.9	-175.4	-96.6	0	0	0	112.6	I538 R539 L540 N544 G545 I552	I538-Y542 PolarHBondContact O-N 3.49Å; R539-Y542 PolarHBondContact O-N 2.95Å; L540-Y542 VanDerWaalsContact C-N 3.32Å; L540-Y542 PolarHBondContact O-N 3.28Å; Y542-N544 VanDerWaalsContact C-N 3.27Å; Y542-N544 PolarHBondContact O-N 2.62Å; Y542-G545 PolarHBondContact O-N 2.97Å; Y542-I552 HydrophobicContact CD2-CD1 4.05Å; Y542-I552 HydrophobicContact CG-CD1 4.07Å
543	E	81.4	Confident	77.8	Confident	111 Å²	111	50.5 Å²	50.5	52%	0.519	26%	0.264	S	S	.	.	H	α-helix	trans	-59.5	-35.8	177	-75.5	170.1	175.9	0	0	112.3	R539 G545	R539-E543 WeakPolarHBondContact CD-OE1 3.16Å; R539-E543 HydrophobicContact CG-CG 4.36Å; R539-E543 WeakPolarHBondContact CG-OE1 3.45Å; R539-E543 IonicContact CZ-OE1 2.66Å; R539-E543 IonicContact NE-OE1 2.73Å; R539-E543 PolarHBondContact NE-OE1 3.47Å; R539-E543 IonicContact NE-OE2 3.87Å; R539-E543 IonicContact NH2-OE2 3.06Å; R539-E543 WeakPolarHBondContact O-CB 3.45Å; R539-E543 WeakPolarHBondContact O-CG 3.45Å; R539-E543 PolarHBondContact O-N 2.99Å; E543-G545 PolarHBondContact O-N 2.94Å
544	N	79.3	Confident	76.1	Confident	108 Å²	108	54.4 Å²	54.4	58%	0.578	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	3.1	174.6	-74.4	-61.9	0	0	0	114.1	L540 Y542 K546	L540-N544 VanDerWaalsContact O-CB 3.32Å; L540-N544 WeakPolarHBondContact O-CB 3.47Å; L540-N544 PolarHBondContact O-N 3.16Å; L540-N544 PolarHBondContact O-ND2 2.7Å; Y542-N544 VanDerWaalsContact C-N 3.27Å; Y542-N544 PolarHBondContact O-N 2.62Å; N544-K546 HydrophobicContact CB-CG 4.33Å; N544-K546 PolarHBondContact O-N 3.43Å
545	G	70.2	Confident	74	Confident	68 Å²	68	56.9 Å²	56.9	70%	0.701	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	19.5	179.8	0	0	0	0	0	114.7	Y542 E543	Y542-G545 PolarHBondContact O-N 2.97Å; E543-G545 PolarHBondContact O-N 2.94Å
546	K	61.8	Low	71.5	Confident	115 Å²	115	64.8 Å²	64.8	50%	0.5	35%	0.352	S	S	.	.			trans	-93.9	-22.1	-177.7	-69.8	-175.5	178.1	-178.4	0	113.6	E541 N544 D633	E541-K546 HydrophobicContact CG-CB 3.95Å; E541-K546 PolarHBondContact O-N 3.4Å; N544-K546 HydrophobicContact CB-CG 4.33Å; N544-K546 PolarHBondContact O-N 3.43Å; K546-D633 IonicContact NZ-OD2 3.26Å; K546-D633 PolarHBondContact NZ-OD2 3.28Å
547	S	59.3	Low	68.9	Low	21 Å²	21	72.1 Å²	72.1	15%	0.147	39%	0.391	C	S	.	.	S	Bend	trans	-80.4	133.2	-178.8	-165	0	0	0	0	111.6	E541	E541-S547 PolarHBondContact O-N 3.2Å; E541-S547 VanDerWaalsContact O-N 3.16Å
548	E	55.3	Low	66.1	Low	159 Å²	159	75.1 Å²	75.1	74%	0.743	42%	0.423	S	S	*	.			trans	-60	143.7	157.7	-67	177.8	155.2	0	0	108.1	D550	E548-D550 PolarHBondContact O-N 3.3Å
549	T	56.8	Low	63.4	Low	85 Å²	85	80.7 Å²	80.7	52%	0.521	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-65.8	0.8	-173.3	44.9	0	0	0	0	114.8	I554	T549-I554 HydrophobicContact CG2-CD1 4.4Å
550	D	68.3	Low	60.8	Low	101 Å²	101	86.2 Å²	86.2	54%	0.54	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-87.6	-3.8	-165.4	-69.6	10.7	0	0	0	113.8	T494 E548	T494-D550 VanDerWaalsContact CB-O 3.26Å; T494-D550 WeakPolarHBondContact CB-O 3.19Å; T494-D550 WeakPolarHBondContact CG2-O 3.44Å; T494-D550 PolarHBondContact OG1-O 2.9Å; E548-D550 PolarHBondContact O-N 3.3Å
551	D	68	Low	58.3	Low	12 Å²	12	89.9 Å²	89.9	6%	0.064	54%	0.535	C	S	.	.	G	3₁₀ helix	trans	-89.1	-26.2	178	-81.5	-27.5	0	0	0	113.8	L493 T494 T496 G497 K500	L493-D551 WeakPolarHBondContact CD2-O 3.2Å; T494-D551 PolarHBondContact N-O 3.47Å; T494-D551 WeakPolarHBondContact OG1-CA 3.18Å; T494-D551 PolarHBondContact OG1-O 3.42Å; T496-D551 WeakPolarHBondContact CB-OD1 3.27Å; T496-D551 VanDerWaalsContact CG2-OD1 3.3Å; T496-D551 WeakPolarHBondContact CG2-OD1 3.48Å; G497-D551 WeakPolarHBondContact CA-OD1 3.45Å; G497-D551 PolarHBondContact N-OD1 3.37Å; G497-D551 VanDerWaalsContact N-OD1 3.09Å; K500-D551 VanDerWaalsContact CD-OD2 3.26Å; K500-D551 WeakPolarHBondContact CD-OD2 3.12Å; K500-D551 WeakPolarHBondContact CE-OD2 3.41Å; K500-D551 IonicContact NZ-OD2 3.53Å; K500-D551 PolarHBondContact NZ-OD2 2.9Å
552	I	72.1	Confident	56.1	Low	14 Å²	14	95.9 Å²	95.9	7%	0.072	57%	0.567	C	S	.	*	B	Isolated β-bridge	trans	-113.4	136.3	-175.2	-58.9	171.7	0	0	0	109.8	L493 Y542 I554 F566	L493-I552 HydrophobicContact CD2-CG1 4.49Å; Y542-I552 HydrophobicContact CD2-CD1 4.05Å; Y542-I552 HydrophobicContact CG-CD1 4.07Å; I552-I554 PolarHBondContact O-N 2.61Å; I552-I554 VanDerWaalsContact O-N 3.08Å; I552-F566 HydrophobicContact CD1-CB 4.24Å; I552-F566 HydrophobicContact CD1-CD2 3.75Å; I552-F566 HydrophobicContact CD1-CE2 4.24Å; I552-F566 HydrophobicContact CD1-CG 3.94Å; I552-F566 HydrophobicContact CG1-CD2 3.92Å; I552-F566 HydrophobicContact CG1-CE2 4.02Å; I552-F566 HydrophobicContact CG2-CD2 3.94Å; I552-F566 HydrophobicContact CG2-CE2 4.46Å
553	Q	61.5	Low	54.3	Low	107 Å²	107	96.9 Å²	96.9	50%	0.5	59%	0.586	S	S	.	*			trans	-76.7	94.9	172.8	-66.8	-174.3	40.7	0	0	110.3	N491 D492 L493 T494 G555	N491-Q553 PolarHBondContact O-NE2 3.42Å; D492-Q553 WeakPolarHBondContact O-CB 3.33Å; D492-Q553 PolarHBondContact O-N 3.43Å; L493-Q553 PolarHBondContact O-NE2 3.02Å; T494-Q553 HydrophobicContact CG2-CG 3.92Å; Q553-G555 PolarHBondContact O-N 3.35Å
554	I	59.3	Low	52.9	Low	83 Å²	83	94.8 Å²	94.8	43%	0.426	58%	0.58	S	S	.	*			trans	-70.2	99.9	168	-58.2	176.2	0	0	0	108	T549 I552 N556 V564	T549-I554 HydrophobicContact CG2-CD1 4.4Å; I552-I554 PolarHBondContact O-N 2.61Å; I552-I554 VanDerWaalsContact O-N 3.08Å; I554-N556 PolarHBondContact O-N 3.48Å; I554-V564 HydrophobicContact CG2-CG2 4.41Å
555	G	51.4	Low	52	Low	52 Å²	52	95.5 Å²	95.5	54%	0.536	59%	0.589	S	S	.	*			trans	-67.9	125.5	174.6	0	0	0	0	0	111.2	Q553 N557	Q553-G555 PolarHBondContact O-N 3.35Å; G555-N557 PolarHBondContact O-N 3.3Å
556	N	39.9	Very low	52.4	Low	165 Å²	165	93 Å²	93	88%	0.882	56%	0.559	S	S	*	*			trans	-71.3	67.9	170.7	-94.1	-5.8	0	0	0	111	I554	I554-N556 PolarHBondContact O-N 3.48Å
557	N	38.3	Very low	53.4	Low	158 Å²	158	93 Å²	93	85%	0.845	56%	0.561	S	S	*	*			trans	-79.6	117.9	161.4	-74.5	-5	0	0	0	107.5	G555	G555-N557 PolarHBondContact O-N 3.3Å
558	G	32.9	Very low	54.7	Low	66 Å²	66	92.6 Å²	92.6	68%	0.68	56%	0.557	S	S	*	*			trans	-63.3	145.6	-166.2	0	0	0	0	0	114.6	L560	G558-L560 PolarHBondContact O-N 3.1Å
559	S	32.3	Very low	56.4	Low	116 Å²	116	85.7 Å²	85.7	81%	0.811	52%	0.524	S	S	*	.	S	Bend	trans	47.1	63.5	153.2	64.1	0	0	0	0	117.3
560	L	35.7	Very low	57.9	Low	154 Å²	154	82.7 Å²	82.7	81%	0.806	51%	0.506	S	S	*	.	S	Bend	trans	-169.6	139.9	134.4	-116.8	110.5	0	0	0	108.4	G558 L562	G558-L560 PolarHBondContact O-N 3.1Å; L560-L562 VanDerWaalsContact C-N 3.26Å; L560-L562 HydrophobicContact CB-CD1 4.39Å; L560-L562 PolarHBondContact O-N 3.07Å
561	G	33	Very low	58.7	Low	92 Å²	92	85 Å²	85	95%	0.948	51%	0.511	S	S	*	.			trans	-74	63.2	-170.8	0	0	0	0	0	115.1
562	L	38.4	Very low	59.4	Low	144 Å²	144	88 Å²	88	75%	0.754	53%	0.53	S	S	*	.			trans	-89.6	127.4	172.5	-80.9	130.8	0	0	0	110.8	L560 V564	L560-L562 VanDerWaalsContact C-N 3.26Å; L560-L562 HydrophobicContact CB-CD1 4.39Å; L560-L562 PolarHBondContact O-N 3.07Å; L562-V564 PolarHBondContact O-N 3.19Å
563	S	45.8	Very low	60.1	Low	104 Å²	104	87.4 Å²	87.4	73%	0.727	53%	0.527	S	S	*	.			trans	-52	124.4	173.5	175	0	0	0	0	111.2	T565	S563-T565 PolarHBondContact O-N 2.77Å
564	V	51.8	Low	61.3	Low	67 Å²	67	82.3 Å²	82.3	41%	0.406	50%	0.503	S	S	.	.			trans	-69.4	101.2	171.4	178.2	0	0	0	0	108.2	I554 L562 F566	I554-V564 HydrophobicContact CG2-CG2 4.41Å; L562-V564 PolarHBondContact O-N 3.19Å; V564-F566 PolarHBondContact O-N 3.46Å; V564-F566 VanDerWaalsContact O-N 3.15Å
565	T	60.8	Low	62.4	Low	122 Å²	122	80.3 Å²	80.3	75%	0.748	49%	0.493	S	S	*	.			trans	-75.6	101.1	179	55.3	0	0	0	0	110.4	S563 E567	S563-T565 PolarHBondContact O-N 2.77Å; T565-E567 PolarHBondContact O-N 3.17Å; T565-E567 VanDerWaalsContact O-N 3.08Å
566	F	78.6	Confident	63.7	Low	16 Å²	16	77.9 Å²	77.9	7%	0.07	47%	0.468	C	S	.	.			trans	-74.4	95.3	174.1	-176.6	-96.3	0	0	0	110.8	D492 L493 R535 R539 I552 V564 T568	D492-F566 WeakPolarHBondContact OD2-CE2 3.43Å; L493-F566 HydrophobicContact CD2-CE2 3.6Å; L493-F566 HydrophobicContact CD2-CZ 3.78Å; L493-F566 HydrophobicContact CG-CE2 4.29Å; L493-F566 HydrophobicContact CG-CZ 4.48Å; R535-F566 HydrophobicContact CB-CE1 4.19Å; R535-F566 HydrophobicContact CB-CZ 4.41Å; R535-F566 HydrophobicContact CG-CZ 4.44Å; R535-F566 WeakPolarHBondContact O-CE1 3.49Å; R539-F566 HydrophobicContact CB-CD1 3.79Å; R539-F566 HydrophobicContact CB-CE1 4.29Å; R539-F566 VanDerWaalsContact CD-O 3.26Å; R539-F566 WeakPolarHBondContact CD-O 3.4Å; R539-F566 HydrophobicContact CG-CB 4.42Å; R539-F566 HydrophobicContact CG-CD1 3.92Å; I552-F566 HydrophobicContact CD1-CB 4.24Å; I552-F566 HydrophobicContact CD1-CD2 3.75Å; I552-F566 HydrophobicContact CD1-CE2 4.24Å; I552-F566 HydrophobicContact CD1-CG 3.94Å; I552-F566 HydrophobicContact CG1-CD2 3.92Å; I552-F566 HydrophobicContact CG1-CE2 4.02Å; I552-F566 HydrophobicContact CG2-CD2 3.94Å; I552-F566 HydrophobicContact CG2-CE2 4.46Å; V564-F566 PolarHBondContact O-N 3.46Å; V564-F566 VanDerWaalsContact O-N 3.15Å; F566-T568 HydrophobicContact CD1-CG2 4.42Å; F566-T568 HydrophobicContact CE1-CG2 4.39Å
567	E	82.5	Confident	65.8	Low	116 Å²	116	70 Å²	70	54%	0.542	43%	0.426	S	S	.	.			trans	-69.7	131.3	177.7	-176.3	179.1	-164.3	0	0	111	R535 T565 P570	R535-E567 PolarHBondContact NH2-O 2.83Å; T565-E567 PolarHBondContact O-N 3.17Å; T565-E567 VanDerWaalsContact O-N 3.08Å; E567-P570 HydrophobicContact CB-CG 4.35Å; E567-P570 WeakPolarHBondContact O-CD 3.35Å; E567-P570 WeakPolarHBondContact OE2-CA 3.38Å
568	T	86	Confident	67.8	Low	11 Å²	11	62.9 Å²	62.9	7%	0.067	39%	0.389	C	S	.	.	S	Bend	trans	-81.4	-20.1	-175	49.7	0	0	0	0	114.3	R535 E536 R539 F566	R535-T568 HydrophobicContact CB-CG2 4.43Å; R535-T568 WeakPolarHBondContact CD-O 3.44Å; R535-T568 PolarHBondContact NE-O 3.5Å; E536-T568 HydrophobicContact CB-CG2 4.37Å; E536-T568 VanDerWaalsContact OE2-CB 3.24Å; E536-T568 WeakPolarHBondContact OE2-CB 3.46Å; E536-T568 VanDerWaalsContact OE2-CG2 3.3Å; E536-T568 WeakPolarHBondContact OE2-CG2 3.26Å; E536-T568 PolarHBondContact OE2-OG1 2.93Å; R539-T568 HydrophobicContact CB-CG2 3.83Å; R539-T568 HydrophobicContact CG-CG2 4.35Å; R539-T568 VanDerWaalsContact NH1-CG2 3.27Å; F566-T568 HydrophobicContact CD1-CG2 4.42Å; F566-T568 HydrophobicContact CE1-CG2 4.39Å
569	W	90.9	Very high	70.2	Confident	14 Å²	14	60.3 Å²	60.3	5%	0.053	36%	0.36	C	S	.	.	S	Bend	trans	-136.2	74.9	171.1	-159.2	-107.1	0	0	0	113.1	A528 V531 Y532 L573 M577 H579 V582 L585	A528-W569 HydrophobicContact CB-CH2 3.72Å; A528-W569 HydrophobicContact CB-CZ2 4.07Å; A528-W569 WeakPolarHBondContact O-CH2 3.24Å; A528-W569 VanDerWaalsContact O-CZ3 3.32Å; A528-W569 WeakPolarHBondContact O-CZ3 3.26Å; V531-W569 HydrophobicContact CB-CZ3 4.21Å; V531-W569 HydrophobicContact CG1-CZ3 4.11Å; Y532-W569 HydrophobicContact CD2-CB 3.85Å; Y532-W569 HydrophobicContact CD2-CD2 4.09Å; Y532-W569 AromaticContact CD2-CE3 3.82Å; Y532-W569 HydrophobicContact CD2-CE3 3.82Å; Y532-W569 HydrophobicContact CD2-CG 4.15Å; Y532-W569 HydrophobicContact CE2-CB 3.95Å; Y532-W569 HydrophobicContact CG-CE3 4.35Å; W569-L573 HydrophobicContact CD2-CD2 4.23Å; W569-L573 HydrophobicContact CD2-CG 4.46Å; W569-L573 HydrophobicContact CE3-CD2 3.6Å; W569-L573 HydrophobicContact CE3-CG 4.19Å; W569-L573 HydrophobicContact CH2-CD2 4.07Å; W569-L573 HydrophobicContact CH2-CG 3.95Å; W569-L573 HydrophobicContact CZ2-CG 4.24Å; W569-L573 HydrophobicContact CZ3-CD2 3.52Å; W569-L573 HydrophobicContact CZ3-CG 3.93Å; W569-M577 HydrophobicContact CH2-CG 4.44Å; W569-M577 HydrophobicContact CZ2-CB 4.41Å; W569-H579 HydrophobicContact CZ2-CB 4.39Å; W569-H579 PolarHBondContact NE1-O 3.21Å; W569-V582 HydrophobicContact CB-CG2 3.78Å; W569-V582 HydrophobicContact CG-CG2 3.66Å; W569-L585 HydrophobicContact CD2-CD1 4.42Å; W569-L585 HydrophobicContact CH2-CD1 4.05Å; W569-L585 HydrophobicContact CZ2-CD1 3.67Å
570	P	87.7	Confident	72.6	Confident	23 Å²	23	60.7 Å²	60.7	15%	0.149	35%	0.348	C	S	.	.			trans	-55.8	141.3	179.8	-24	34	0	0	0	112.6	E567 V572 L573 G574	E567-P570 HydrophobicContact CB-CG 4.35Å; E567-P570 WeakPolarHBondContact O-CD 3.35Å; E567-P570 WeakPolarHBondContact OE2-CA 3.38Å; P570-V572 PolarHBondContact O-N 2.75Å; P570-V572 VanDerWaalsContact O-N 3.07Å; P570-L573 WeakPolarHBondContact O-CA 3.33Å; P570-L573 WeakPolarHBondContact O-CB 3.48Å; P570-L573 PolarHBondContact O-N 3.36Å; P570-G574 PolarHBondContact O-N 2.82Å
571	K	85	Confident	74.9	Confident	149 Å²	149	56.5 Å²	56.5	65%	0.648	33%	0.327	S	S	*	.	H	α-helix	trans	-51.3	-38.3	-179.7	-171.1	178.5	-178.6	-179.9	0	113	L573 G574 L575	K571-L573 VanDerWaalsContact C-N 3.33Å; K571-L573 PolarHBondContact O-N 2.82Å; K571-G574 PolarHBondContact O-N 3.16Å; K571-L575 HydrophobicContact CD-CD1 4.47Å; K571-L575 HydrophobicContact CG-CD1 3.93Å; K571-L575 HydrophobicContact CG-CG 4.3Å; K571-L575 WeakPolarHBondContact O-CB 3.31Å; K571-L575 VanDerWaalsContact O-CG 3.28Å; K571-L575 WeakPolarHBondContact O-CG 3.45Å; K571-L575 PolarHBondContact O-N 3.02Å
572	V	83	Confident	77.5	Confident	76 Å²	76	53.7 Å²	53.7	46%	0.461	29%	0.291	S	S	.	.	H	α-helix	trans	-61.5	-38.7	176.2	-179.7	0	0	0	0	112.2	P570 S576	P570-V572 PolarHBondContact O-N 2.75Å; P570-V572 VanDerWaalsContact O-N 3.07Å; V572-S576 WeakPolarHBondContact O-CB 3.42Å; V572-S576 PolarHBondContact O-N 2.87Å
573	L	87.1	Confident	79.9	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-70	-45.3	175.8	178.9	61.1	0	0	0	111	A486 A489 V531 W569 P570 K571 L575 S576 M577	A486-L573 HydrophobicContact CB-CD1 4.21Å; A489-L573 HydrophobicContact CB-CD1 3.95Å; V531-L573 HydrophobicContact CG1-CD2 3.98Å; W569-L573 HydrophobicContact CD2-CD2 4.23Å; W569-L573 HydrophobicContact CD2-CG 4.46Å; W569-L573 HydrophobicContact CE3-CD2 3.6Å; W569-L573 HydrophobicContact CE3-CG 4.19Å; W569-L573 HydrophobicContact CH2-CD2 4.07Å; W569-L573 HydrophobicContact CH2-CG 3.95Å; W569-L573 HydrophobicContact CZ2-CG 4.24Å; W569-L573 HydrophobicContact CZ3-CD2 3.52Å; W569-L573 HydrophobicContact CZ3-CG 3.93Å; P570-L573 WeakPolarHBondContact O-CA 3.33Å; P570-L573 WeakPolarHBondContact O-CB 3.48Å; P570-L573 PolarHBondContact O-N 3.36Å; K571-L573 VanDerWaalsContact C-N 3.33Å; K571-L573 PolarHBondContact O-N 2.82Å; L573-L575 PolarHBondContact O-N 2.94Å; L573-S576 PolarHBondContact O-N 2.88Å; L573-M577 HydrophobicContact CD1-CG 3.9Å; L573-M577 WeakPolarHBondContact O-CB 3.41Å; L573-M577 VanDerWaalsContact O-CG 3.26Å; L573-M577 WeakPolarHBondContact O-CG 3.26Å; L573-M577 PolarHBondContact O-N 3.16Å
574	G	86.4	Confident	81.8	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58.1	-48.1	176.1	0	0	0	0	0	112.9	P570 K571 M577 G578 H579 E580	P570-G574 PolarHBondContact O-N 2.82Å; K571-G574 PolarHBondContact O-N 3.16Å; G574-M577 PolarHBondContact O-N 3.39Å; G574-G578 PolarHBondContact O-N 3.46Å; G574-G578 VanDerWaalsContact O-N 3.16Å; G574-H579 WeakPolarHBondContact CA-O 3.35Å; G574-H579 CarbonylContact O-C 3.44Å; G574-H579 PolarHBondContact O-N 2.94Å; G574-E580 PolarHBondContact O-N 3.46Å
575	L	82.3	Confident	83.7	Confident	40 Å²	40	42.8 Å²	42.8	21%	0.209	22%	0.224	C	C	.	.	H	α-helix	trans	-62.1	-48.4	175.5	-72	168.1	0	0	0	112.1	L328 P329 K571 L573 M577 G578 E580	L328-L575 WeakPolarHBondContact CD2-O 3.49Å; P329-L575 HydrophobicContact CG-CB 4.06Å; P329-L575 HydrophobicContact CG-CD1 4.32Å; P329-L575 HydrophobicContact CG-CD2 3.83Å; P329-L575 HydrophobicContact CG-CG 4.29Å; K571-L575 HydrophobicContact CD-CD1 4.47Å; K571-L575 HydrophobicContact CG-CD1 3.93Å; K571-L575 HydrophobicContact CG-CG 4.3Å; K571-L575 WeakPolarHBondContact O-CB 3.31Å; K571-L575 VanDerWaalsContact O-CG 3.28Å; K571-L575 WeakPolarHBondContact O-CG 3.45Å; K571-L575 PolarHBondContact O-N 3.02Å; L573-L575 PolarHBondContact O-N 2.94Å; L575-M577 PolarHBondContact O-N 2.94Å; L575-G578 PolarHBondContact O-N 3.22Å; L575-E580 HydrophobicContact CD2-CG 3.61Å; L575-E580 WeakPolarHBondContact CD2-OE2 3.5Å; L575-E580 HydrophobicContact CG-CG 4.11Å
576	S	80.2	Confident	85.3	Confident	2 Å²	2	37 Å²	37	1%	0.014	19%	0.188	C	C	.	.	H	α-helix	trans	-60.5	-34.7	-179.9	-171.7	0	0	0	0	112.4	S331 F349 R485 V572 L573	S331-S576 WeakPolarHBondContact CB-OG 3.47Å; F349-S576 WeakPolarHBondContact CE1-O 3.45Å; R485-S576 WeakPolarHBondContact CD-O 3.24Å; R485-S576 VanDerWaalsContact CG-OG 3.3Å; R485-S576 WeakPolarHBondContact CG-OG 3.2Å; R485-S576 PolarHBondContact NE-O 3.43Å; R485-S576 PolarHBondContact NE-OG 3.42Å; V572-S576 WeakPolarHBondContact O-CB 3.42Å; V572-S576 PolarHBondContact O-N 2.87Å; L573-S576 PolarHBondContact O-N 2.88Å
577	M	84.2	Confident	85.9	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-4.6	-178.7	-67.3	-63.4	-68.8	0	0	114.7	F349 F353 F482 A486 C527 A528 W569 L573 G574 L575 H579	F349-M577 HydrophobicContact CZ-SD 4.42Å; F353-M577 WeakPolarHBondContact CE2-O 3.36Å; F353-M577 VanDerWaalsContact CZ-O 3.31Å; F353-M577 WeakPolarHBondContact CZ-O 3.45Å; F482-M577 HydrophobicContact CB-CE 4Å; A486-M577 HydrophobicContact CB-CE 4.15Å; A486-M577 HydrophobicContact CB-CG 4.45Å; A486-M577 HydrophobicContact CB-SD 3.6Å; A486-M577 VanDerWaalsContact CB-SD 3.6Å; C527-M577 HydrophobicContact CB-CE 4.24Å; A528-M577 HydrophobicContact CB-CE 4.21Å; W569-M577 HydrophobicContact CH2-CG 4.44Å; W569-M577 HydrophobicContact CZ2-CB 4.41Å; L573-M577 HydrophobicContact CD1-CG 3.9Å; L573-M577 WeakPolarHBondContact O-CB 3.41Å; L573-M577 VanDerWaalsContact O-CG 3.26Å; L573-M577 WeakPolarHBondContact O-CG 3.26Å; L573-M577 PolarHBondContact O-N 3.16Å; G574-M577 PolarHBondContact O-N 3.39Å; L575-M577 PolarHBondContact O-N 2.94Å; M577-H579 PolarHBondContact O-CD2 2.94Å; M577-H579 VanDerWaalsContact O-CD2 3.22Å; M577-H579 PolarHBondContact O-N 3.31Å
578	G	79.3	Confident	86.5	Confident	7 Å²	7	33.3 Å²	33.3	7%	0.072	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	18.5	-173.2	0	0	0	0	0	114.3	G574 L575	G574-G578 PolarHBondContact O-N 3.46Å; G574-G578 VanDerWaalsContact O-N 3.16Å; L575-G578 PolarHBondContact O-N 3.22Å
579	H	84.4	Confident	87	Confident	13 Å²	13	32.8 Å²	32.8	6%	0.06	17%	0.172	C	C	.	.			trans	-132.7	63.2	-174.9	-66.9	-58.4	0	0	0	110.9	V525 A528 W569 G574 M577 L585	V525-H579 WeakPolarHBondContact CG2-NE2 3.48Å; A528-H579 HydrophobicContact CB-CB 4.35Å; W569-H579 HydrophobicContact CZ2-CB 4.39Å; W569-H579 PolarHBondContact NE1-O 3.21Å; G574-H579 WeakPolarHBondContact CA-O 3.35Å; G574-H579 CarbonylContact O-C 3.44Å; G574-H579 PolarHBondContact O-N 2.94Å; M577-H579 PolarHBondContact O-CD2 2.94Å; M577-H579 VanDerWaalsContact O-CD2 3.22Å; M577-H579 PolarHBondContact O-N 3.31Å; H579-L585 HydrophobicContact CB-CD1 4.25Å; H579-L585 HydrophobicContact CB-CD2 4.06Å; H579-L585 HydrophobicContact CB-CG 4.42Å
580	E	81.5	Confident	87.1	Confident	123 Å²	123	33.1 Å²	33.1	58%	0.575	18%	0.175	S	C	*	.			trans	-61.3	-45.2	175.8	-67.5	-177.4	-112.3	0	0	112.4	G574 L575 V582	G574-E580 PolarHBondContact O-N 3.46Å; L575-E580 HydrophobicContact CD2-CG 3.61Å; L575-E580 WeakPolarHBondContact CD2-OE2 3.5Å; L575-E580 HydrophobicContact CG-CG 4.11Å; E580-V582 PolarHBondContact O-N 3.16Å
581	N	84.2	Confident	87.4	Confident	66 Å²	66	33.5 Å²	33.5	35%	0.353	18%	0.175	S	C	.	.			trans	-83.5	100.5	-179	-173.8	-1.3	0	0	0	111.5	T583 N584	N581-T583 PolarHBondContact ND2-OG1 3.42Å; N581-T583 PolarHBondContact O-N 2.91Å; N581-T583 VanDerWaalsContact O-N 3.1Å; N581-T583 PolarHBondContact OD1-N 2.95Å; N581-T583 PolarHBondContact OD1-OG1 3.4Å; N581-N584 WeakPolarHBondContact O-CB 3.34Å; N581-N584 PolarHBondContact O-N 3.49Å; N581-N584 VanDerWaalsContact O-N 3.13Å
582	V	87.7	Confident	87.9	Confident	34 Å²	34	26.5 Å²	26.5	21%	0.206	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-49	-35.4	175.3	179.1	0	0	0	0	112.7	Y532 W569 E580 N584 L585 L586	Y532-V582 HydrophobicContact CD2-CG1 4.12Å; Y532-V582 HydrophobicContact CE2-CG1 3.54Å; W569-V582 HydrophobicContact CB-CG2 3.78Å; W569-V582 HydrophobicContact CG-CG2 3.66Å; E580-V582 PolarHBondContact O-N 3.16Å; V582-N584 PolarHBondContact O-N 2.82Å; V582-L585 WeakPolarHBondContact O-CB 3.49Å; V582-L585 PolarHBondContact O-N 3.22Å; V582-L586 HydrophobicContact CG1-CD2 3.84Å; V582-L586 HydrophobicContact CG1-CG 4.19Å; V582-L586 WeakPolarHBondContact O-CG 3.43Å; V582-L586 PolarHBondContact O-N 2.9Å
583	T	88.4	Confident	88.5	Confident	14 Å²	14	23 Å²	23	9%	0.086	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-62.8	-20.9	-175.3	68.1	0	0	0	0	113.6	N581 L585 L586 N650	N581-T583 PolarHBondContact ND2-OG1 3.42Å; N581-T583 PolarHBondContact O-N 2.91Å; N581-T583 VanDerWaalsContact O-N 3.1Å; N581-T583 PolarHBondContact OD1-N 2.95Å; N581-T583 PolarHBondContact OD1-OG1 3.4Å; T583-L585 VanDerWaalsContact C-N 3.33Å; T583-L586 HydrophobicContact CG2-CD1 4.31Å; T583-N650 HydrophobicContact CG2-CB 4.11Å; T583-N650 PolarHBondContact OG1-ND2 2.9Å
584	N	86.5	Confident	88.7	Confident	72 Å²	72	26.4 Å²	26.4	39%	0.385	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-75.2	-23.2	174.5	-63.5	-6.3	0	0	0	112.6	N581 V582	N581-N584 WeakPolarHBondContact O-CB 3.34Å; N581-N584 PolarHBondContact O-N 3.49Å; N581-N584 VanDerWaalsContact O-N 3.13Å; V582-N584 PolarHBondContact O-N 2.82Å
585	L	92.2	Very high	88.9	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-31.7	178.9	-55.4	-179.6	0	0	0	112	V525 A528 A529 W569 H579 V582 T583 P587 M588 V589	V525-L585 HydrophobicContact CG1-CD2 4.14Å; A528-L585 HydrophobicContact CB-CD1 3.85Å; A528-L585 HydrophobicContact CB-CD2 3.66Å; A528-L585 HydrophobicContact CB-CG 4.42Å; A529-L585 HydrophobicContact CB-CB 4.37Å; W569-L585 HydrophobicContact CD2-CD1 4.42Å; W569-L585 HydrophobicContact CH2-CD1 4.05Å; W569-L585 HydrophobicContact CZ2-CD1 3.67Å; H579-L585 HydrophobicContact CB-CD1 4.25Å; H579-L585 HydrophobicContact CB-CD2 4.06Å; H579-L585 HydrophobicContact CB-CG 4.42Å; V582-L585 WeakPolarHBondContact O-CB 3.49Å; V582-L585 PolarHBondContact O-N 3.22Å; T583-L585 VanDerWaalsContact C-N 3.33Å; L585-P587 VanDerWaalsContact C-CD 3.43Å; L585-M588 WeakPolarHBondContact O-CB 3.11Å; L585-M588 PolarHBondContact O-N 3.5Å; L585-V589 PolarHBondContact O-N 3.26Å; L585-V589 VanDerWaalsContact O-N 3.08Å
586	L	93.1	Very high	89.3	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-51.5	-39.4	-172.6	-65.1	-176.8	0	0	0	115.3	Y532 V582 T583 M588 V589 L590 I643 K646 M647	Y532-L586 HydrophobicContact CE1-CD2 4.26Å; V582-L586 HydrophobicContact CG1-CD2 3.84Å; V582-L586 HydrophobicContact CG1-CG 4.19Å; V582-L586 WeakPolarHBondContact O-CG 3.43Å; V582-L586 PolarHBondContact O-N 2.9Å; T583-L586 HydrophobicContact CG2-CD1 4.31Å; L586-M588 VanDerWaalsContact C-N 3.31Å; L586-M588 PolarHBondContact O-N 2.88Å; L586-V589 PolarHBondContact O-N 2.99Å; L586-L590 PolarHBondContact O-N 3.32Å; L586-I643 HydrophobicContact CB-CG2 3.84Å; L586-I643 HydrophobicContact CD1-CG2 4.27Å; L586-I643 HydrophobicContact CD2-CG1 4.22Å; L586-I643 HydrophobicContact CD2-CG2 4Å; L586-I643 HydrophobicContact CG-CG2 4.23Å; L586-K646 HydrophobicContact CD1-CB 3.69Å; L586-M647 HydrophobicContact CB-CE 3.51Å; L586-M647 HydrophobicContact CB-CG 4.18Å; L586-M647 HydrophobicContact CD1-CG 3.83Å
587	P	92.6	Very high	89.7	Confident	48 Å²	48	27.4 Å²	27.4	31%	0.312	15%	0.148	S	C	.	.	H	α-helix	trans	-61.1	-39	175.6	-23.8	34.8	0	0	0	112.8	L585 L590 I591 M647 W653	L585-P587 VanDerWaalsContact C-CD 3.43Å; P587-L590 PolarHBondContact O-N 3.05Å; P587-I591 WeakPolarHBondContact O-CG1 3.27Å; P587-I591 PolarHBondContact O-N 3.37Å; P587-M647 HydrophobicContact CB-CE 4.33Å; P587-M647 HydrophobicContact CG-CE 3.82Å; P587-W653 HydrophobicContact CG-CH2 4.18Å; P587-W653 HydrophobicContact CG-CZ2 4.27Å
588	M	95	Very high	89.9	Confident	6 Å²	6	32.9 Å²	32.9	3%	0.03	17%	0.168	C	C	.	.	H	α-helix	trans	-71.9	-35	176.9	-169.8	67.5	-153.5	0	0	111.7	T518 T521 V525 K526 A529 L585 L586 L590 I591 Y592	T518-M588 HydrophobicContact CG2-CE 3.57Å; T518-M588 HydrophobicContact CG2-SD 4.24Å; T521-M588 HydrophobicContact CG2-CG 4.3Å; T521-M588 HydrophobicContact CG2-SD 3.76Å; V525-M588 HydrophobicContact CG1-CB 4.21Å; K526-M588 HydrophobicContact CG-CE 3.96Å; K526-M588 HydrophobicContact CG-SD 4.36Å; A529-M588 HydrophobicContact CB-CB 3.73Å; A529-M588 HydrophobicContact CB-CG 3.74Å; L585-M588 WeakPolarHBondContact O-CB 3.11Å; L585-M588 PolarHBondContact O-N 3.5Å; L586-M588 VanDerWaalsContact C-N 3.31Å; L586-M588 PolarHBondContact O-N 2.88Å; M588-L590 VanDerWaalsContact C-N 3.35Å; M588-I591 PolarHBondContact O-N 3.31Å; M588-I591 HydrophobicContact SD-CD1 4.3Å; M588-Y592 HydrophobicContact CE-CD1 3.78Å; M588-Y592 HydrophobicContact CE-CE1 3.21Å; M588-Y592 HydrophobicContact CE-CE2 4.07Å; M588-Y592 HydrophobicContact CE-CG 4.46Å; M588-Y592 HydrophobicContact CG-CE2 4.16Å; M588-Y592 PolarHBondContact O-N 2.99Å
589	V	95.1	Very high	90.1	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.7	-42.2	172.5	-177.9	0	0	0	0	110.9	A529 Y532 L533 L585 L586 I591 Y592 V593 I643	A529-V589 HydrophobicContact CB-CG2 3.79Å; Y532-V589 HydrophobicContact CD1-CG1 4.08Å; Y532-V589 HydrophobicContact CD1-CG2 3.7Å; Y532-V589 HydrophobicContact CE1-CG1 4.39Å; Y532-V589 HydrophobicContact CE1-CG2 4.42Å; Y532-V589 HydrophobicContact CG-CG2 4.3Å; L533-V589 HydrophobicContact CB-CG1 4.19Å; L533-V589 HydrophobicContact CD1-CG1 4.1Å; L585-V589 PolarHBondContact O-N 3.26Å; L585-V589 VanDerWaalsContact O-N 3.08Å; L586-V589 PolarHBondContact O-N 2.99Å; V589-I591 VanDerWaalsContact C-N 3.34Å; V589-I591 PolarHBondContact O-N 2.97Å; V589-Y592 PolarHBondContact O-N 3.14Å; V589-V593 WeakPolarHBondContact O-CG2 3.42Å; V589-V593 PolarHBondContact O-N 3.45Å; V589-I643 HydrophobicContact CB-CD1 4.22Å; V589-I643 HydrophobicContact CG1-CD1 3.48Å; V589-I643 VanDerWaalsContact CG1-CD1 3.48Å; V589-I643 HydrophobicContact CG1-CG1 4.49Å
590	L	94.4	Very high	90	Very high	22 Å²	22	34.4 Å²	34.4	12%	0.115	18%	0.176	C	C	.	.	H	α-helix	trans	-61.9	-39.7	175.2	-71.8	177.4	0	0	0	112.5	L586 P587 M588 V593 Q594 V640 I643 M647	L586-L590 PolarHBondContact O-N 3.32Å; P587-L590 PolarHBondContact O-N 3.05Å; M588-L590 VanDerWaalsContact C-N 3.35Å; L590-V593 PolarHBondContact O-N 3.31Å; L590-Q594 VanDerWaalsContact O-CG 3.29Å; L590-Q594 WeakPolarHBondContact O-CG 3.33Å; L590-Q594 PolarHBondContact O-N 2.88Å; L590-V640 HydrophobicContact CD2-CG1 4.3Å; L590-V640 HydrophobicContact CD2-CG2 4.17Å; L590-I643 HydrophobicContact CD1-CG2 4.07Å; L590-I643 HydrophobicContact CD2-CB 4.01Å; L590-I643 HydrophobicContact CD2-CD1 3.94Å; L590-I643 HydrophobicContact CD2-CG2 3.68Å; L590-I643 HydrophobicContact CG-CG2 3.69Å; L590-M647 HydrophobicContact CD1-CE 3.59Å; L590-M647 HydrophobicContact CD1-SD 4.08Å; L590-M647 HydrophobicContact CG-CE 4.37Å
591	I	93.7	Very high	89.4	Confident	30 Å²	30	32.1 Å²	32.1	15%	0.154	17%	0.172	C	C	.	.	H	α-helix	trans	-62.7	-45.9	174.8	-63.9	165.4	0	0	0	110	T518 P587 M588 V589 V593 Q594 S595	T518-I591 HydrophobicContact CG2-CG2 3.71Å; P587-I591 WeakPolarHBondContact O-CG1 3.27Å; P587-I591 PolarHBondContact O-N 3.37Å; M588-I591 PolarHBondContact O-N 3.31Å; M588-I591 HydrophobicContact SD-CD1 4.3Å; V589-I591 VanDerWaalsContact C-N 3.34Å; V589-I591 PolarHBondContact O-N 2.97Å; I591-V593 PolarHBondContact O-N 3.07Å; I591-Q594 PolarHBondContact O-N 2.72Å; I591-S595 PolarHBondContact O-N 2.66Å; I591-S595 PolarHBondContact O-OG 3.21Å
592	Y	95.6	Very high	88.3	Confident	2 Å²	2	36 Å²	36	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-59.2	-44.1	176.4	-74.3	-25.3	0	0	0	113.5	L508 F509 N512 K526 A529 M588 V589 S595 I596	L508-Y592 HydrophobicContact CB-CD1 4.25Å; L508-Y592 HydrophobicContact CB-CE1 4.15Å; L508-Y592 HydrophobicContact CB-CG 4.47Å; L508-Y592 HydrophobicContact CD1-CD2 4.05Å; L508-Y592 HydrophobicContact CD1-CE2 4.46Å; L508-Y592 HydrophobicContact CD1-CG 4.25Å; L508-Y592 HydrophobicContact CD2-CD1 4.08Å; L508-Y592 HydrophobicContact CD2-CG 3.92Å; L508-Y592 HydrophobicContact CG-CG 4.46Å; F509-Y592 WeakPolarHBondContact CD1-OH 3.39Å; N512-Y592 HydrophobicContact CB-CD1 4.42Å; N512-Y592 HydrophobicContact CB-CE1 4.07Å; N512-Y592 VanDerWaalsContact ND2-CD1 3.32Å; N512-Y592 WeakPolarHBondContact ND2-CD1 3.42Å; K526-Y592 WeakPolarHBondContact CA-OH 3.4Å; K526-Y592 WeakPolarHBondContact CB-OH 3.35Å; K526-Y592 WeakPolarHBondContact O-CE2 3.43Å; K526-Y592 PolarHBondContact O-OH 3.46Å; A529-Y592 HydrophobicContact CB-CD2 4.27Å; A529-Y592 HydrophobicContact CB-CE2 3.99Å; M588-Y592 HydrophobicContact CE-CD1 3.78Å; M588-Y592 HydrophobicContact CE-CE1 3.21Å; M588-Y592 HydrophobicContact CE-CE2 4.07Å; M588-Y592 HydrophobicContact CE-CG 4.46Å; M588-Y592 HydrophobicContact CG-CE2 4.16Å; M588-Y592 PolarHBondContact O-N 2.99Å; V589-Y592 PolarHBondContact O-N 3.14Å; Y592-S595 PolarHBondContact O-N 3.33Å; Y592-I596 WeakPolarHBondContact O-CG1 3.39Å; Y592-I596 PolarHBondContact O-N 2.95Å
593	V	93.8	Very high	87	Confident	3 Å²	3	35.6 Å²	35.6	2%	0.018	19%	0.19	C	C	.	.	H	α-helix	trans	-61.6	-46.5	175.2	170.4	0	0	0	0	111.1	L533 V589 L590 I591 S595 I596 V597 Y636 I639 V640	L533-V593 HydrophobicContact CD1-CG2 3.8Å; L533-V593 HydrophobicContact CD2-CG2 3.99Å; V589-V593 WeakPolarHBondContact O-CG2 3.42Å; V589-V593 PolarHBondContact O-N 3.45Å; L590-V593 PolarHBondContact O-N 3.31Å; I591-V593 PolarHBondContact O-N 3.07Å; V593-S595 VanDerWaalsContact C-N 3.34Å; V593-S595 PolarHBondContact O-N 3.23Å; V593-I596 PolarHBondContact O-N 3.07Å; V593-V597 HydrophobicContact CG1-CG2 4.31Å; V593-V597 WeakPolarHBondContact O-CG2 3.13Å; V593-V597 PolarHBondContact O-N 2.89Å; V593-Y636 HydrophobicContact CB-CD1 4.48Å; V593-Y636 HydrophobicContact CG1-CD1 3.69Å; V593-Y636 HydrophobicContact CG1-CG 4.21Å; V593-Y636 HydrophobicContact CG2-CD1 4.35Å; V593-I639 HydrophobicContact CG2-CG2 3.91Å; V593-V640 HydrophobicContact CG1-CG2 3.72Å
594	Q	91.2	Very high	85.2	Confident	72 Å²	72	42.5 Å²	42.5	34%	0.336	23%	0.226	S	C	.	.	H	α-helix	trans	-59.5	-43.6	177.1	-72.1	176.8	28.1	0	0	112.4	L590 I591 V597 R598	L590-Q594 VanDerWaalsContact O-CG 3.29Å; L590-Q594 WeakPolarHBondContact O-CG 3.33Å; L590-Q594 PolarHBondContact O-N 2.88Å; I591-Q594 PolarHBondContact O-N 2.72Å; Q594-V597 PolarHBondContact O-N 3.04Å; Q594-R598 VanDerWaalsContact O-CG 3.24Å; Q594-R598 WeakPolarHBondContact O-CG 3.26Å; Q594-R598 PolarHBondContact O-N 3.01Å; Q594-R598 VanDerWaalsContact OE1-NH2 3.16Å
595	S	91.2	Very high	83.6	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-64.6	-40	178.4	-57.9	0	0	0	0	112.2	N512 I591 Y592 V593	N512-S595 WeakPolarHBondContact OD1-CB 3.3Å; N512-S595 PolarHBondContact OD1-OG 2.98Å; I591-S595 PolarHBondContact O-N 2.66Å; I591-S595 PolarHBondContact O-OG 3.21Å; Y592-S595 PolarHBondContact O-N 3.33Å; V593-S595 VanDerWaalsContact C-N 3.34Å; V593-S595 PolarHBondContact O-N 3.23Å
596	I	91.1	Very high	81.5	Confident	1 Å²	1	51 Å²	51	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-63.2	-51.2	173.3	-64.8	162	0	0	0	110.3	L508 L511 L533 Y592 V593 R598 T599 L600 L631 Y636	L508-I596 HydrophobicContact CD2-CD1 3.65Å; L508-I596 HydrophobicContact CD2-CG1 3.85Å; L511-I596 HydrophobicContact CD2-CG1 4.25Å; L533-I596 HydrophobicContact CD2-CD1 4.12Å; Y592-I596 WeakPolarHBondContact O-CG1 3.39Å; Y592-I596 PolarHBondContact O-N 2.95Å; V593-I596 PolarHBondContact O-N 3.07Å; I596-R598 PolarHBondContact O-N 3.26Å; I596-T599 WeakPolarHBondContact O-CA 3.35Å; I596-T599 PolarHBondContact O-N 3.5Å; I596-T599 PolarHBondContact O-OG1 3.48Å; I596-L600 HydrophobicContact CG2-CD2 4.26Å; I596-L600 HydrophobicContact CG2-CG 4.43Å; I596-L600 PolarHBondContact O-N 3.09Å; I596-L631 HydrophobicContact CD1-CD2 4.27Å; I596-Y636 HydrophobicContact CB-CE1 4.48Å; I596-Y636 HydrophobicContact CD1-CE1 4.24Å; I596-Y636 HydrophobicContact CG2-CE1 4.21Å; I596-Y636 HydrophobicContact CG2-CE2 4.29Å; I596-Y636 WeakPolarHBondContact CG2-OH 3.41Å
597	V	89.5	Confident	79.6	Confident	60 Å²	60	56.5 Å²	56.5	36%	0.364	30%	0.304	S	S	.	.	H	α-helix	trans	-57.3	-36.2	-177.2	170.9	0	0	0	0	112.2	V593 Q594 T599 L600 Y636	V593-V597 HydrophobicContact CG1-CG2 4.31Å; V593-V597 WeakPolarHBondContact O-CG2 3.13Å; V593-V597 PolarHBondContact O-N 2.89Å; Q594-V597 PolarHBondContact O-N 3.04Å; V597-T599 PolarHBondContact O-N 3.41Å; V597-L600 HydrophobicContact CG2-CD1 4.31Å; V597-L600 PolarHBondContact O-N 3.36Å; V597-Y636 HydrophobicContact CG2-CD1 4.31Å; V597-Y636 HydrophobicContact CG2-CD2 3.89Å; V597-Y636 HydrophobicContact CG2-CG 3.71Å
598	R	86.5	Confident	78.2	Confident	115 Å²	115	60.3 Å²	60.3	43%	0.434	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-20	173.5	-70.2	168.3	-159.7	173.1	8.5	114.4	E515 Q594 I596 S603	E515-R598 IonicContact OE1-CZ 2.85Å; E515-R598 IonicContact OE1-NH1 3.66Å; E515-R598 PolarHBondContact OE1-NH1 3.05Å; E515-R598 IonicContact OE2-CZ 3.98Å; E515-R598 IonicContact OE2-NH1 3.7Å; E515-R598 PolarHBondContact OE2-NH1 3.33Å; Q594-R598 VanDerWaalsContact O-CG 3.24Å; Q594-R598 WeakPolarHBondContact O-CG 3.26Å; Q594-R598 PolarHBondContact O-N 3.01Å; Q594-R598 VanDerWaalsContact OE1-NH2 3.16Å; I596-R598 PolarHBondContact O-N 3.26Å; R598-S603 PolarHBondContact O-OG 2.91Å
599	T	84.1	Confident	77.4	Confident	30 Å²	30	64.2 Å²	64.2	18%	0.184	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-9.2	178.6	60.7	0	0	0	0	114.3	Y507 L511 I596 V597	Y507-T599 PolarHBondContact OH-OG1 3.21Å; L511-T599 HydrophobicContact CD1-CG2 3.66Å; I596-T599 WeakPolarHBondContact O-CA 3.35Å; I596-T599 PolarHBondContact O-N 3.5Å; I596-T599 PolarHBondContact O-OG1 3.48Å; V597-T599 PolarHBondContact O-N 3.41Å
600	L	81.8	Confident	77	Confident	22 Å²	22	67.3 Å²	67.3	12%	0.115	35%	0.345	C	S	.	.	S	Bend	trans	-65.1	137.9	178.8	-67	176.3	0	0	0	110.5	I596 V597 I602 S603 L632 Y636	I596-L600 HydrophobicContact CG2-CD2 4.26Å; I596-L600 HydrophobicContact CG2-CG 4.43Å; I596-L600 PolarHBondContact O-N 3.09Å; V597-L600 HydrophobicContact CG2-CD1 4.31Å; V597-L600 PolarHBondContact O-N 3.36Å; L600-I602 PolarHBondContact O-N 3.05Å; L600-S603 PolarHBondContact O-N 3.12Å; L600-S603 PolarHBondContact O-OG 2.58Å; L600-L632 HydrophobicContact CD2-CD2 3.76Å; L600-Y636 HydrophobicContact CD1-CD2 3.92Å; L600-Y636 HydrophobicContact CD1-CE2 3.75Å
601	P	68.8	Low	76.8	Confident	75 Å²	75	69 Å²	69	49%	0.487	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-24.8	-178.7	-27.7	35.2	0	0	0	115	S603 R608	P601-S603 VanDerWaalsContact C-N 3.34Å; P601-R608 PolarHBondContact O-NH2 3.36Å
602	I	61.5	Low	76.8	Confident	148 Å²	148	67.9 Å²	67.9	76%	0.759	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-22.4	-178	-52.3	173.3	0	0	0	111.8	L600 N604	L600-I602 PolarHBondContact O-N 3.05Å; I602-N604 PolarHBondContact O-N 3.22Å
603	S	60.1	Low	76.8	Confident	25 Å²	25	67.9 Å²	67.9	18%	0.175	35%	0.348	C	S	.	.			trans	-67.6	104	177.5	69.1	0	0	0	0	109.8	R598 L600 P601 T605	R598-S603 PolarHBondContact O-OG 2.91Å; L600-S603 PolarHBondContact O-N 3.12Å; L600-S603 PolarHBondContact O-OG 2.58Å; P601-S603 VanDerWaalsContact C-N 3.34Å; S603-T605 PolarHBondContact O-N 3.4Å
604	N	50.6	Low	76.8	Confident	159 Å²	159	69 Å²	69	85%	0.85	35%	0.353	S	S	*	.			trans	-75.1	28.4	-177.2	-154.9	15.7	0	0	0	112.9	I602	I602-N604 PolarHBondContact O-N 3.22Å
605	T	52.8	Low	76.9	Confident	79 Å²	79	70.2 Å²	70.2	49%	0.485	36%	0.358	S	S	.	.			trans	-84.8	113.2	178.8	44.9	0	0	0	0	109	S603 N607	S603-T605 PolarHBondContact O-N 3.4Å; T605-N607 PolarHBondContact O-N 2.85Å
606	N	48.1	Very low	77.1	Confident	170 Å²	170	70 Å²	70	91%	0.909	36%	0.357	S	S	*	.	S	Bend	trans	-64	23	172.9	-76.6	-27.3	0	0	0	114.3
607	N	54.5	Low	77.3	Confident	116 Å²	116	70 Å²	70	62%	0.62	36%	0.357	S	S	*	.			trans	-133.5	40.9	-168.3	-147.9	29.1	0	0	0	110.4	T605 N609	T605-N607 PolarHBondContact O-N 2.85Å; N607-N609 PolarHBondContact O-N 2.79Å; N607-N609 PolarHBondContact OD1-ND2 2.74Å
608	R	63.5	Low	77.5	Confident	128 Å²	128	67.8 Å²	67.8	48%	0.483	34%	0.344	S	S	.	.			trans	-71	64.5	172.6	-62.4	-165.9	-171.3	172.4	-0.5	111	P601 E611	P601-R608 PolarHBondContact O-NH2 3.36Å; R608-E611 HydrophobicContact CB-CG 4.2Å; R608-E611 WeakPolarHBondContact CB-OE1 3.42Å; R608-E611 WeakPolarHBondContact CD-OE1 3.44Å; R608-E611 IonicContact NH1-OE1 3.12Å
609	N	76.6	Confident	77.8	Confident	88 Å²	88	65.9 Å²	65.9	47%	0.471	34%	0.343	S	S	.	.			trans	-83.6	146.6	172.6	-56.8	-37.4	0	0	0	108.4	N607	N607-N609 PolarHBondContact O-N 2.79Å; N607-N609 PolarHBondContact OD1-ND2 2.74Å
610	Y	87.6	Confident	78.2	Confident	65 Å²	65	72.5 Å²	72.5	26%	0.255	36%	0.364	S	S	.	.			trans	70.3	44.6	172.3	-35.8	-57.9	0	0	0	116.1	T376 A379 T380 D383 T514 A612	T376-Y610 PolarHBondContact O-OH 2.88Å; T376-Y610 VanDerWaalsContact O-OH 3.1Å; A379-Y610 HydrophobicContact CB-CD1 4.31Å; A379-Y610 HydrophobicContact CB-CD2 3.84Å; A379-Y610 HydrophobicContact CB-CE1 4.04Å; A379-Y610 HydrophobicContact CB-CE2 3.5Å; A379-Y610 VanDerWaalsContact CB-CE2 3.5Å; A379-Y610 HydrophobicContact CB-CG 4.23Å; T380-Y610 WeakPolarHBondContact OG1-CE1 3.32Å; T380-Y610 PolarHBondContact OG1-OH 3.35Å; D383-Y610 HydrophobicContact CB-CD1 3.81Å; D383-Y610 HydrophobicContact CB-CG 4.34Å; D383-Y610 WeakPolarHBondContact OD1-CA 3.3Å; T514-Y610 HydrophobicContact CG2-CG 4.42Å; Y610-A612 VanDerWaalsContact C-N 3.33Å; Y610-A612 PolarHBondContact O-N 2.79Å
611	E	90.8	Very high	78.5	Confident	58 Å²	58	75.6 Å²	75.6	27%	0.271	39%	0.388	S	S	.	.			trans	-77.6	1.4	-179.6	-60.5	-173.1	142.6	0	0	115.4	D383 R608 A613 F614 H615	D383-E611 PolarHBondContact OD1-N 2.86Å; R608-E611 HydrophobicContact CB-CG 4.2Å; R608-E611 WeakPolarHBondContact CB-OE1 3.42Å; R608-E611 WeakPolarHBondContact CD-OE1 3.44Å; R608-E611 IonicContact NH1-OE1 3.12Å; E611-A613 VanDerWaalsContact C-N 3.31Å; E611-A613 PolarHBondContact O-N 3.44Å; E611-F614 WeakPolarHBondContact O-CB 3.34Å; E611-F614 PolarHBondContact O-N 2.84Å; E611-H615 VanDerWaalsContact CB-CD2 3.48Å; E611-H615 WeakPolarHBondContact CB-CD2 3.2Å; E611-H615 PolarHBondContact O-CD2 2.91Å; E611-H615 VanDerWaalsContact O-CD2 3.26Å; E611-H615 PolarHBondContact O-N 3.07Å; E611-H615 IonicContact OE2-CD2 2.62Å; E611-H615 IonicContact OE2-CE1 2.76Å; E611-H615 IonicContact OE2-NE2 2.7Å; E611-H615 PolarHBondContact OE2-NE2 3.08Å
612	A	94.1	Very high	79.6	Confident	6 Å²	6	74.4 Å²	74.4	5%	0.05	37%	0.374	C	S	.	.	H	α-helix	trans	-60.1	-38.6	-169.5	0	0	0	0	0	113.2	D383 I386 R387 Y610 K616	D383-A612 WeakPolarHBondContact OD1-CB 3.32Å; D383-A612 PolarHBondContact OD1-N 3.28Å; I386-A612 HydrophobicContact CB-CB 3.94Å; I386-A612 HydrophobicContact CG2-CB 3.73Å; R387-A612 HydrophobicContact CG-CB 3.73Å; Y610-A612 VanDerWaalsContact C-N 3.33Å; Y610-A612 PolarHBondContact O-N 2.79Å; A612-K616 VanDerWaalsContact O-CB 3.27Å; A612-K616 WeakPolarHBondContact O-CB 3.35Å; A612-K616 PolarHBondContact O-N 3.28Å
613	A	94.6	Very high	80.9	Confident	2 Å²	2	70.1 Å²	70.1	2%	0.017	37%	0.366	C	S	.	.	H	α-helix	trans	-63.1	-44.7	173.2	0	0	0	0	0	112	I386 E510 L511 E611 K616 F617	I386-A613 HydrophobicContact CD1-CB 4.29Å; E510-A613 HydrophobicContact CB-CB 4.36Å; L511-A613 HydrophobicContact CB-CB 4.34Å; L511-A613 HydrophobicContact CD1-CB 4.44Å; E611-A613 VanDerWaalsContact C-N 3.31Å; E611-A613 PolarHBondContact O-N 3.44Å; A613-K616 WeakPolarHBondContact O-CB 3.48Å; A613-K616 PolarHBondContact O-N 2.92Å; A613-F617 WeakPolarHBondContact O-CD2 3.46Å; A613-F617 PolarHBondContact O-N 2.95Å
614	F	94.1	Very high	82.4	Confident	28 Å²	28	75.9 Å²	75.9	12%	0.123	38%	0.384	C	S	.	.	H	α-helix	trans	-60.8	-48.1	177.9	176.4	-94.1	0	0	0	111.5	E611 K616 F617 S618 A626 Q627	E611-F614 WeakPolarHBondContact O-CB 3.34Å; E611-F614 PolarHBondContact O-N 2.84Å; F614-K616 VanDerWaalsContact C-N 3.32Å; F614-K616 PolarHBondContact O-N 3.03Å; F614-F617 PolarHBondContact O-N 3.17Å; F614-S618 VanDerWaalsContact O-CB 3.23Å; F614-S618 WeakPolarHBondContact O-CB 3.31Å; F614-S618 PolarHBondContact O-N 3.45Å; F614-S618 PolarHBondContact O-OG 2.84Å; F614-A626 HydrophobicContact CD2-CB 3.99Å; F614-A626 HydrophobicContact CE2-CB 4.15Å; F614-Q627 HydrophobicContact CZ-CG 4.32Å
615	H	93.2	Very high	84.5	Confident	96 Å²	96	68.7 Å²	68.7	44%	0.444	35%	0.346	S	S	.	.	H	α-helix	trans	-63	-38	176.3	-72.3	-59.3	0	0	0	112.1	E611 N619	E611-H615 VanDerWaalsContact CB-CD2 3.48Å; E611-H615 WeakPolarHBondContact CB-CD2 3.2Å; E611-H615 PolarHBondContact O-CD2 2.91Å; E611-H615 VanDerWaalsContact O-CD2 3.26Å; E611-H615 PolarHBondContact O-N 3.07Å; E611-H615 IonicContact OE2-CD2 2.62Å; E611-H615 IonicContact OE2-CE1 2.76Å; E611-H615 IonicContact OE2-NE2 2.7Å; E611-H615 PolarHBondContact OE2-NE2 3.08Å; H615-N619 PolarHBondContact O-ND2 3.34Å
616	K	94.9	Very high	86.3	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-59.1	-56.7	174.8	-177.9	176.2	170.7	176.5	0	111.7	I386 Q390 E510 A612 A613 F614 S618 N619 Y622	I386-K616 HydrophobicContact CG2-CD 4.39Å; Q390-K616 HydrophobicContact CG-CB 4.39Å; Q390-K616 HydrophobicContact CG-CD 3.91Å; Q390-K616 HydrophobicContact CG-CG 4.09Å; Q390-K616 VanDerWaalsContact NE2-CB 3.33Å; E510-K616 IonicContact OE1-NZ 2.71Å; E510-K616 PolarHBondContact OE1-NZ 2.98Å; E510-K616 WeakPolarHBondContact OE2-CD 3.41Å; E510-K616 VanDerWaalsContact OE2-CE 3.29Å; E510-K616 WeakPolarHBondContact OE2-CE 3.42Å; E510-K616 IonicContact OE2-NZ 3.85Å; E510-K616 PolarHBondContact OE2-NZ 3.06Å; A612-K616 VanDerWaalsContact O-CB 3.27Å; A612-K616 WeakPolarHBondContact O-CB 3.35Å; A612-K616 PolarHBondContact O-N 3.28Å; A613-K616 WeakPolarHBondContact O-CB 3.48Å; A613-K616 PolarHBondContact O-N 2.92Å; F614-K616 VanDerWaalsContact C-N 3.32Å; F614-K616 PolarHBondContact O-N 3.03Å; K616-S618 VanDerWaalsContact C-N 3.3Å; K616-S618 PolarHBondContact O-N 3.5Å; K616-N619 VanDerWaalsContact O-CB 3.29Å; K616-N619 WeakPolarHBondContact O-CB 3.42Å; K616-N619 PolarHBondContact O-N 2.81Å; K616-N619 VanDerWaalsContact O-N 3.11Å; K616-N619 PolarHBondContact O-ND2 3.06Å; K616-Y622 VanDerWaalsContact CE-CZ 3.47Å; K616-Y622 WeakPolarHBondContact CE-OH 3.46Å; K616-Y622 HydrophobicContact CG-CD2 4.26Å; K616-Y622 HydrophobicContact CG-CE2 3.74Å; K616-Y622 VanDerWaalsContact O-CD2 3.24Å; K616-Y622 WeakPolarHBondContact O-CD2 3.5Å
617	F	95	Very high	88.4	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-79	-11.9	-174.6	-75.3	-93.9	0	0	0	113.9	R506 Y507 E510 A613 F614 N619 Y622 R624 I625 A626	R506-F617 HydrophobicContact CB-CE1 3.85Å; R506-F617 HydrophobicContact CB-CZ 4Å; R506-F617 WeakPolarHBondContact O-CZ 3.37Å; Y507-F617 HydrophobicContact CD2-CB 3.59Å; Y507-F617 HydrophobicContact CD2-CD1 4.36Å; Y507-F617 AromaticContact CD2-CD2 3.66Å; Y507-F617 HydrophobicContact CD2-CD2 3.66Å; Y507-F617 HydrophobicContact CD2-CE2 4.44Å; Y507-F617 AromaticContact CD2-CG 3.61Å; Y507-F617 HydrophobicContact CD2-CG 3.61Å; Y507-F617 HydrophobicContact CE2-CB 4.21Å; Y507-F617 HydrophobicContact CG-CB 4.08Å; Y507-F617 HydrophobicContact CG-CD1 4.37Å; Y507-F617 HydrophobicContact CG-CD2 4.42Å; Y507-F617 HydrophobicContact CG-CG 4.04Å; E510-F617 HydrophobicContact CB-CE2 3.82Å; E510-F617 HydrophobicContact CB-CZ 4.44Å; E510-F617 HydrophobicContact CG-CE2 4.03Å; E510-F617 HydrophobicContact CG-CZ 4.29Å; A613-F617 WeakPolarHBondContact O-CD2 3.46Å; A613-F617 PolarHBondContact O-N 2.95Å; F614-F617 PolarHBondContact O-N 3.17Å; F617-N619 PolarHBondContact O-N 2.78Å; F617-Y622 AromaticContact CD1-CD1 3.9Å; F617-Y622 HydrophobicContact CD1-CD1 3.9Å; F617-Y622 AromaticContact CD1-CG 3.95Å; F617-Y622 HydrophobicContact CD1-CG 3.95Å; F617-Y622 AromaticContact CE1-CD1 3.72Å; F617-Y622 HydrophobicContact CE1-CD1 3.72Å; F617-Y622 HydrophobicContact CE1-CE1 4.22Å; F617-Y622 HydrophobicContact CE1-CG 4.24Å; F617-Y622 HydrophobicContact CG-CG 4.46Å; F617-Y622 HydrophobicContact CZ-CD1 4.37Å; F617-Y622 HydrophobicContact CZ-CE1 4.45Å; F617-R624 CarbonylContact O-C 3.45Å; F617-R624 WeakPolarHBondContact O-CA 3.41Å; F617-I625 HydrophobicContact CB-CG2 3.95Å; F617-I625 HydrophobicContact CD1-CG2 3.74Å; F617-I625 HydrophobicContact CG-CG2 4.3Å; F617-I625 PolarHBondContact O-N 2.86Å; F617-A626 HydrophobicContact CB-CB 3.92Å
618	S	93.8	Very high	90.1	Very high	14 Å²	14	57.2 Å²	57.2	10%	0.098	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-16.1	163.9	-67.3	0	0	0	0	113.5	F614 K616 R624 Q627	F614-S618 VanDerWaalsContact O-CB 3.23Å; F614-S618 WeakPolarHBondContact O-CB 3.31Å; F614-S618 PolarHBondContact O-N 3.45Å; F614-S618 PolarHBondContact O-OG 2.84Å; K616-S618 VanDerWaalsContact C-N 3.3Å; K616-S618 PolarHBondContact O-N 3.5Å; S618-R624 WeakPolarHBondContact O-CG 3.28Å; S618-Q627 WeakPolarHBondContact OG-CG 3.49Å; S618-Q627 PolarHBondContact OG-NE2 3.36Å; S618-Q627 VanDerWaalsContact OG-NE2 3.11Å
619	N	92.7	Very high	91.3	Very high	75 Å²	75	54 Å²	54	40%	0.401	28%	0.278	S	S	.	.	S	Bend	trans	-70.6	148.4	178.1	-71.6	-70.4	0	0	0	112.4	H615 K616 F617 S621 Y622 R624	H615-N619 PolarHBondContact O-ND2 3.34Å; K616-N619 VanDerWaalsContact O-CB 3.29Å; K616-N619 WeakPolarHBondContact O-CB 3.42Å; K616-N619 PolarHBondContact O-N 2.81Å; K616-N619 VanDerWaalsContact O-N 3.11Å; K616-N619 PolarHBondContact O-ND2 3.06Å; F617-N619 PolarHBondContact O-N 2.78Å; N619-S621 PolarHBondContact O-N 2.86Å; N619-S621 VanDerWaalsContact O-N 3.08Å; N619-Y622 HydrophobicContact CB-CD2 4.4Å; N619-Y622 PolarHBondContact O-N 3.06Å; N619-R624 PolarHBondContact O-N 3.48Å
620	R	92.6	Very high	91.9	Very high	168 Å²	168	50 Å²	50	63%	0.634	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-56.4	-27.9	176.8	-171.4	179.7	-178.7	-175.6	3.9	113.4	Y622 G623	R620-Y622 PolarHBondContact O-N 3.44Å; R620-G623 PolarHBondContact O-N 3.41Å
621	S	89.1	Confident	92.1	Very high	88 Å²	88	47 Å²	47	62%	0.615	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-64.4	-18.2	176.3	53.2	0	0	0	0	114.5	N619	N619-S621 PolarHBondContact O-N 2.86Å; N619-S621 VanDerWaalsContact O-N 3.08Å
622	Y	91.2	Very high	92	Very high	50 Å²	50	47.3 Å²	47.3	20%	0.196	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-114.1	27.2	177.6	-62.9	-80	0	0	0	111.4	K616 F617 N619 R620 R624 I625	K616-Y622 VanDerWaalsContact CE-CZ 3.47Å; K616-Y622 WeakPolarHBondContact CE-OH 3.46Å; K616-Y622 HydrophobicContact CG-CD2 4.26Å; K616-Y622 HydrophobicContact CG-CE2 3.74Å; K616-Y622 VanDerWaalsContact O-CD2 3.24Å; K616-Y622 WeakPolarHBondContact O-CD2 3.5Å; F617-Y622 AromaticContact CD1-CD1 3.9Å; F617-Y622 HydrophobicContact CD1-CD1 3.9Å; F617-Y622 AromaticContact CD1-CG 3.95Å; F617-Y622 HydrophobicContact CD1-CG 3.95Å; F617-Y622 AromaticContact CE1-CD1 3.72Å; F617-Y622 HydrophobicContact CE1-CD1 3.72Å; F617-Y622 HydrophobicContact CE1-CE1 4.22Å; F617-Y622 HydrophobicContact CE1-CG 4.24Å; F617-Y622 HydrophobicContact CG-CG 4.46Å; F617-Y622 HydrophobicContact CZ-CD1 4.37Å; F617-Y622 HydrophobicContact CZ-CE1 4.45Å; N619-Y622 HydrophobicContact CB-CD2 4.4Å; N619-Y622 PolarHBondContact O-N 3.06Å; R620-Y622 PolarHBondContact O-N 3.44Å; Y622-R624 PolarHBondContact O-N 3.48Å; Y622-I625 PolarHBondContact O-N 3.09Å; Y622-I625 VanDerWaalsContact O-N 3.1Å
623	G	89.1	Confident	91.6	Very high	58 Å²	58	51.3 Å²	51.3	60%	0.598	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	5.7	-177.4	0	0	0	0	0	114.9	R620 I625	R620-G623 PolarHBondContact O-N 3.41Å; G623-I625 PolarHBondContact O-N 3.09Å
624	R	92.5	Very high	91.3	Very high	145 Å²	145	52.2 Å²	52.2	55%	0.547	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	34.1	-164.2	-49.5	-172.7	169.8	155.1	-7.1	113.3	F617 S618 N619 Y622 A626 Q627 S628	F617-R624 CarbonylContact O-C 3.45Å; F617-R624 WeakPolarHBondContact O-CA 3.41Å; S618-R624 WeakPolarHBondContact O-CG 3.28Å; N619-R624 PolarHBondContact O-N 3.48Å; Y622-R624 PolarHBondContact O-N 3.48Å; R624-A626 PolarHBondContact O-N 3.34Å; R624-A626 VanDerWaalsContact O-N 3.12Å; R624-Q627 CarbonylContact O-C 3.35Å; R624-Q627 WeakPolarHBondContact O-CA 3.32Å; R624-Q627 PolarHBondContact O-N 2.89Å; R624-S628 PolarHBondContact O-N 3.46Å
625	I	93.3	Very high	91	Very high	9 Å²	9	55.1 Å²	55.1	5%	0.046	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-54.8	-36.8	-171	-168	68	0	0	0	113.4	L503 V504 F617 Y622 G623 Q627 S628 L631	L503-I625 HydrophobicContact CB-CB 4.12Å; L503-I625 HydrophobicContact CB-CD1 4.31Å; L503-I625 HydrophobicContact CB-CG1 4.01Å; L503-I625 HydrophobicContact CB-CG2 4.26Å; V504-I625 HydrophobicContact CG2-CD1 3.8Å; V504-I625 HydrophobicContact CG2-CG1 3.85Å; F617-I625 HydrophobicContact CB-CG2 3.95Å; F617-I625 HydrophobicContact CD1-CG2 3.74Å; F617-I625 HydrophobicContact CG-CG2 4.3Å; F617-I625 PolarHBondContact O-N 2.86Å; Y622-I625 PolarHBondContact O-N 3.09Å; Y622-I625 VanDerWaalsContact O-N 3.1Å; G623-I625 PolarHBondContact O-N 3.09Å; I625-Q627 PolarHBondContact O-N 3.05Å; I625-Q627 VanDerWaalsContact O-N 3.12Å; I625-S628 WeakPolarHBondContact O-CB 3.42Å; I625-S628 PolarHBondContact O-N 3.11Å; I625-S628 VanDerWaalsContact O-N 3.07Å; I625-S628 PolarHBondContact O-OG 3.15Å; I625-L631 WeakPolarHBondContact O-CD1 3.37Å
626	A	91.7	Very high	90.9	Very high	4 Å²	4	51.2 Å²	51.2	3%	0.033	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-65	-12.6	176.1	0	0	0	0	0	114.6	Y507 F614 F617 R624	Y507-A626 HydrophobicContact CD1-CB 4.48Å; Y507-A626 HydrophobicContact CD2-CB 4.45Å; Y507-A626 HydrophobicContact CE1-CB 4.04Å; Y507-A626 HydrophobicContact CE2-CB 4.02Å; F614-A626 HydrophobicContact CD2-CB 3.99Å; F614-A626 HydrophobicContact CE2-CB 4.15Å; F617-A626 HydrophobicContact CB-CB 3.92Å; R624-A626 PolarHBondContact O-N 3.34Å; R624-A626 VanDerWaalsContact O-N 3.12Å
627	Q	90.6	Very high	90.7	Very high	95 Å²	95	56.8 Å²	56.8	44%	0.444	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-119.6	15.2	176.9	-57.8	-178.3	-11.9	0	0	111.9	F614 S618 R624 I625 L632	F614-Q627 HydrophobicContact CZ-CG 4.32Å; S618-Q627 WeakPolarHBondContact OG-CG 3.49Å; S618-Q627 PolarHBondContact OG-NE2 3.36Å; S618-Q627 VanDerWaalsContact OG-NE2 3.11Å; R624-Q627 CarbonylContact O-C 3.35Å; R624-Q627 WeakPolarHBondContact O-CA 3.32Å; R624-Q627 PolarHBondContact O-N 2.89Å; I625-Q627 PolarHBondContact O-N 3.05Å; I625-Q627 VanDerWaalsContact O-N 3.12Å; Q627-L632 WeakPolarHBondContact O-CD1 3.33Å
628	S	90.7	Very high	90.5	Very high	25 Å²	25	60.6 Å²	60.6	18%	0.175	32%	0.321	C	S	.	.	S	Bend	trans	-78.8	151.6	-179.9	65.3	0	0	0	0	112	R624 I625 L630 L631 L632	R624-S628 PolarHBondContact O-N 3.46Å; I625-S628 WeakPolarHBondContact O-CB 3.42Å; I625-S628 PolarHBondContact O-N 3.11Å; I625-S628 VanDerWaalsContact O-N 3.07Å; I625-S628 PolarHBondContact O-OG 3.15Å; S628-L630 PolarHBondContact O-N 3.08Å; S628-L631 PolarHBondContact O-N 2.89Å; S628-L632 WeakPolarHBondContact O-CG 3.37Å; S628-L632 PolarHBondContact O-N 3.14Å
629	S	88.3	Confident	90.4	Very high	59 Å²	59	60 Å²	60	41%	0.413	32%	0.317	S	S	.	.	H	α-helix	trans	-51.4	-41.7	171.5	49.4	0	0	0	0	111.9	E541 L631 L632 D633	E541-S629 PolarHBondContact OE1-OG 3.37Å; S629-L631 PolarHBondContact O-N 3.04Å; S629-L632 PolarHBondContact O-N 3.49Å; S629-D633 VanDerWaalsContact O-CB 3.28Å; S629-D633 WeakPolarHBondContact O-CB 3.42Å; S629-D633 PolarHBondContact O-N 3.47Å
630	L	89.8	Confident	90.3	Very high	6 Å²	6	57.6 Å²	57.6	3%	0.031	30%	0.304	C	S	.	.	H	α-helix	trans	-51	-32.2	177.4	-176.6	69.3	0	0	0	113.5	K500 V504 L537 I538 E541 S628	K500-L630 HydrophobicContact CD-CD2 3.96Å; K500-L630 HydrophobicContact CG-CD2 3.91Å; V504-L630 HydrophobicContact CG2-CD2 3.85Å; L537-L630 HydrophobicContact CB-CD1 3.77Å; L537-L630 HydrophobicContact CB-CG 4.13Å; L537-L630 WeakPolarHBondContact O-CD1 3.44Å; I538-L630 HydrophobicContact CG1-CD1 4.08Å; I538-L630 HydrophobicContact CG1-CD2 4.39Å; E541-L630 HydrophobicContact CB-CD1 4.08Å; S628-L630 PolarHBondContact O-N 3.08Å
631	L	91.4	Very high	90.3	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-102.8	-34	176.7	-63.3	-175.3	0	0	0	113.6	Y507 L537 I596 I625 S628 S629 Y636	Y507-L631 HydrophobicContact CD1-CD1 3.75Å; Y507-L631 HydrophobicContact CE1-CD1 3.77Å; L537-L631 HydrophobicContact CD1-CD2 3.59Å; I596-L631 HydrophobicContact CD1-CD2 4.27Å; I625-L631 WeakPolarHBondContact O-CD1 3.37Å; S628-L631 PolarHBondContact O-N 2.89Å; S629-L631 PolarHBondContact O-N 3.04Å; L631-Y636 WeakPolarHBondContact CA-OH 3.41Å; L631-Y636 VanDerWaalsContact O-CE2 3.24Å; L631-Y636 WeakPolarHBondContact O-CE2 3.3Å; L631-Y636 PolarHBondContact O-OH 2.95Å
632	L	88.4	Confident	90.3	Very high	65 Å²	65	52.1 Å²	52.1	34%	0.34	28%	0.277	S	S	.	.	H	α-helix	trans	-79.2	-31.2	-176.3	-65.2	-178.3	0	0	0	113.3	L600 Q627 S628 S629	L600-L632 HydrophobicContact CD2-CD2 3.76Å; Q627-L632 WeakPolarHBondContact O-CD1 3.33Å; S628-L632 WeakPolarHBondContact O-CG 3.37Å; S628-L632 PolarHBondContact O-N 3.14Å; S629-L632 PolarHBondContact O-N 3.49Å
633	D	86	Confident	90.2	Very high	90 Å²	90	49.8 Å²	49.8	48%	0.481	27%	0.268	S	S	.	.	S	Bend	trans	-98.2	1.1	-175.1	-68.5	22	0	0	0	113.1	K546 S629	K546-D633 IonicContact NZ-OD2 3.26Å; K546-D633 PolarHBondContact NZ-OD2 3.28Å; S629-D633 VanDerWaalsContact O-CB 3.28Å; S629-D633 WeakPolarHBondContact O-CB 3.42Å; S629-D633 PolarHBondContact O-N 3.47Å
634	A	88	Confident	90.2	Very high	20 Å²	20	53 Å²	53	17%	0.165	26%	0.262	C	S	.	.			trans	-76.4	134.9	-175.2	0	0	0	0	0	112.3	L537 Y636	L537-A634 HydrophobicContact CD2-CB 3.49Å; L537-A634 VanDerWaalsContact CD2-CB 3.49Å; A634-Y636 HydrophobicContact CB-CD2 4.46Å; A634-Y636 HydrophobicContact CB-CE1 4.28Å; A634-Y636 HydrophobicContact CB-CE2 3.92Å; A634-Y636 VanDerWaalsContact O-CD2 3.23Å; A634-Y636 WeakPolarHBondContact O-CD2 3.34Å; A634-Y636 PolarHBondContact O-N 3.18Å
635	D	89.4	Confident	90	Very high	89 Å²	89	53 Å²	53	48%	0.476	26%	0.262	S	S	.	.			trans	-78.1	87.7	173	-170.9	-17.3	0	0	0	110.5	D637 F638 I639	D635-D637 VanDerWaalsContact C-N 3.29Å; D635-D637 PolarHBondContact O-N 3.41Å; D635-D637 PolarHBondContact OD1-N 3.09Å; D635-D637 VanDerWaalsContact OD1-N 3.11Å; D635-F638 HydrophobicContact CB-CB 3.95Å; D635-F638 VanDerWaalsContact CG-CB 3.4Å; D635-F638 PolarHBondContact O-N 3.39Å; D635-F638 PolarHBondContact OD1-N 2.75Å; D635-I639 WeakPolarHBondContact O-CG1 3.2Å; D635-I639 PolarHBondContact O-N 2.77Å; D635-I639 VanDerWaalsContact O-N 3.11Å
636	Y	90.7	Very high	89.8	Confident	15 Å²	15	55.3 Å²	55.3	6%	0.059	27%	0.271	C	S	.	.	H	α-helix	trans	-68.1	-25.9	177.9	-67	-70.9	0	0	0	113.4	L537 V593 I596 V597 L600 L631 A634 I639 V640	L537-Y636 HydrophobicContact CD2-CE1 4.21Å; V593-Y636 HydrophobicContact CB-CD1 4.48Å; V593-Y636 HydrophobicContact CG1-CD1 3.69Å; V593-Y636 HydrophobicContact CG1-CG 4.21Å; V593-Y636 HydrophobicContact CG2-CD1 4.35Å; I596-Y636 HydrophobicContact CB-CE1 4.48Å; I596-Y636 HydrophobicContact CD1-CE1 4.24Å; I596-Y636 HydrophobicContact CG2-CE1 4.21Å; I596-Y636 HydrophobicContact CG2-CE2 4.29Å; I596-Y636 WeakPolarHBondContact CG2-OH 3.41Å; V597-Y636 HydrophobicContact CG2-CD1 4.31Å; V597-Y636 HydrophobicContact CG2-CD2 3.89Å; V597-Y636 HydrophobicContact CG2-CG 3.71Å; L600-Y636 HydrophobicContact CD1-CD2 3.92Å; L600-Y636 HydrophobicContact CD1-CE2 3.75Å; L631-Y636 WeakPolarHBondContact CA-OH 3.41Å; L631-Y636 VanDerWaalsContact O-CE2 3.24Å; L631-Y636 WeakPolarHBondContact O-CE2 3.3Å; L631-Y636 PolarHBondContact O-OH 2.95Å; A634-Y636 HydrophobicContact CB-CD2 4.46Å; A634-Y636 HydrophobicContact CB-CE1 4.28Å; A634-Y636 HydrophobicContact CB-CE2 3.92Å; A634-Y636 VanDerWaalsContact O-CD2 3.23Å; A634-Y636 WeakPolarHBondContact O-CD2 3.34Å; A634-Y636 PolarHBondContact O-N 3.18Å; Y636-I639 HydrophobicContact CD1-CD1 4.11Å; Y636-I639 PolarHBondContact O-N 2.78Å; Y636-V640 WeakPolarHBondContact O-CB 3.46Å; Y636-V640 VanDerWaalsContact O-CG2 3.24Å; Y636-V640 WeakPolarHBondContact O-CG2 3.47Å; Y636-V640 PolarHBondContact O-N 3.35Å
637	D	89.9	Confident	89.4	Confident	117 Å²	117	55.6 Å²	55.6	63%	0.626	27%	0.272	S	S	*	.	H	α-helix	trans	-71.8	-41.4	176.8	-78.6	-39.1	0	0	0	110.4	D635 V640 Q641	D635-D637 VanDerWaalsContact C-N 3.29Å; D635-D637 PolarHBondContact O-N 3.41Å; D635-D637 PolarHBondContact OD1-N 3.09Å; D635-D637 VanDerWaalsContact OD1-N 3.11Å; D637-V640 PolarHBondContact O-N 3.31Å; D637-Q641 WeakPolarHBondContact O-CB 3.44Å; D637-Q641 VanDerWaalsContact O-CG 3.26Å; D637-Q641 WeakPolarHBondContact O-CG 3.25Å; D637-Q641 PolarHBondContact O-N 2.84Å
638	F	91.3	Very high	88.8	Confident	80 Å²	80	55.3 Å²	55.3	35%	0.351	28%	0.277	S	S	.	.	H	α-helix	trans	-58.4	-48.4	169.5	178.2	-93.6	0	0	0	111.6	L540 D635 V640 Q641 D642	L540-F638 HydrophobicContact CD2-CD1 4.04Å; L540-F638 HydrophobicContact CD2-CE1 3.92Å; D635-F638 HydrophobicContact CB-CB 3.95Å; D635-F638 VanDerWaalsContact CG-CB 3.4Å; D635-F638 PolarHBondContact O-N 3.39Å; D635-F638 PolarHBondContact OD1-N 2.75Å; F638-V640 VanDerWaalsContact C-N 3.34Å; F638-V640 PolarHBondContact O-N 2.68Å; F638-Q641 PolarHBondContact O-N 2.86Å; F638-D642 WeakPolarHBondContact O-CB 3.49Å; F638-D642 PolarHBondContact O-N 2.81Å
639	I	91.1	Very high	88	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-57.9	-45.9	177.4	-68.3	161.1	0	0	0	110.9	L533 E536 L537 L540 V593 D635 Y636 D642 I643	L533-I639 HydrophobicContact CD1-CG2 4.33Å; E536-I639 HydrophobicContact CG-CG1 4.48Å; L537-I639 HydrophobicContact CD2-CD1 3.98Å; L540-I639 HydrophobicContact CD1-CD1 3.64Å; L540-I639 HydrophobicContact CD1-CG1 3.55Å; V593-I639 HydrophobicContact CG2-CG2 3.91Å; D635-I639 WeakPolarHBondContact O-CG1 3.2Å; D635-I639 PolarHBondContact O-N 2.77Å; D635-I639 VanDerWaalsContact O-N 3.11Å; Y636-I639 HydrophobicContact CD1-CD1 4.11Å; Y636-I639 PolarHBondContact O-N 2.78Å; I639-D642 PolarHBondContact O-N 3.47Å; I639-I643 HydrophobicContact CG2-CD1 3.6Å; I639-I643 HydrophobicContact CG2-CG1 4.37Å; I639-I643 WeakPolarHBondContact O-CB 3.48Å; I639-I643 WeakPolarHBondContact O-CD1 2.98Å; I639-I643 WeakPolarHBondContact O-CG1 3.32Å; I639-I643 PolarHBondContact O-N 3.16Å
640	V	91.9	Very high	86.6	Confident	24 Å²	24	57.9 Å²	57.9	15%	0.145	29%	0.292	C	S	.	.	H	α-helix	trans	-64.9	-41.5	179.1	168.4	0	0	0	0	111.8	L590 V593 Y636 D637 F638 R644	L590-V640 HydrophobicContact CD2-CG1 4.3Å; L590-V640 HydrophobicContact CD2-CG2 4.17Å; V593-V640 HydrophobicContact CG1-CG2 3.72Å; Y636-V640 WeakPolarHBondContact O-CB 3.46Å; Y636-V640 VanDerWaalsContact O-CG2 3.24Å; Y636-V640 WeakPolarHBondContact O-CG2 3.47Å; Y636-V640 PolarHBondContact O-N 3.35Å; D637-V640 PolarHBondContact O-N 3.31Å; F638-V640 VanDerWaalsContact C-N 3.34Å; F638-V640 PolarHBondContact O-N 2.68Å; V640-R644 WeakPolarHBondContact O-CB 3.2Å; V640-R644 VanDerWaalsContact O-CG 3.26Å; V640-R644 WeakPolarHBondContact O-CG 3.49Å; V640-R644 PolarHBondContact O-N 3.1Å
641	Q	91.6	Very high	84.7	Confident	122 Å²	122	62.1 Å²	62.1	57%	0.57	32%	0.322	S	S	*	.	H	α-helix	trans	-64.3	-44	176	-72.8	176.8	36.9	0	0	111.6	D637 F638 R644 R645	D637-Q641 WeakPolarHBondContact O-CB 3.44Å; D637-Q641 VanDerWaalsContact O-CG 3.26Å; D637-Q641 WeakPolarHBondContact O-CG 3.25Å; D637-Q641 PolarHBondContact O-N 2.84Å; F638-Q641 PolarHBondContact O-N 2.86Å; Q641-R644 PolarHBondContact O-N 3.43Å; Q641-R645 WeakPolarHBondContact O-CG 3.27Å; Q641-R645 PolarHBondContact O-N 3.01Å
642	D	89.5	Confident	82.8	Confident	18 Å²	18	69.4 Å²	69.4	10%	0.096	35%	0.354	C	S	.	.	H	α-helix	trans	-63.1	-44.8	178.4	-174.5	63.9	0	0	0	112.5	F638 I639 R644 R645 K646	F638-D642 WeakPolarHBondContact O-CB 3.49Å; F638-D642 PolarHBondContact O-N 2.81Å; I639-D642 PolarHBondContact O-N 3.47Å; D642-R644 VanDerWaalsContact C-N 3.34Å; D642-R644 PolarHBondContact O-N 3.23Å; D642-R645 PolarHBondContact O-N 2.85Å; D642-R645 IonicContact OD1-CZ 2.73Å; D642-R645 IonicContact OD1-NE 3.62Å; D642-R645 IonicContact OD1-NH2 3.41Å; D642-R645 PolarHBondContact OD1-NH2 3.41Å; D642-K646 WeakPolarHBondContact O-CG 3.27Å; D642-K646 PolarHBondContact O-N 2.9Å; D642-K646 WeakPolarHBondContact OD2-CD 3.41Å; D642-K646 WeakPolarHBondContact OD2-CE 3.41Å; D642-K646 IonicContact OD2-NZ 3.68Å; D642-K646 PolarHBondContact OD2-NZ 2.94Å
643	I	89.6	Confident	80.8	Confident	2 Å²	2	69 Å²	69	1%	0.01	35%	0.348	C	S	.	.	H	α-helix	trans	-59.7	-44.3	173.9	-67.8	164.4	0	0	0	111.1	L586 V589 L590 I639 R645 K646 M647	L586-I643 HydrophobicContact CB-CG2 3.84Å; L586-I643 HydrophobicContact CD1-CG2 4.27Å; L586-I643 HydrophobicContact CD2-CG1 4.22Å; L586-I643 HydrophobicContact CD2-CG2 4Å; L586-I643 HydrophobicContact CG-CG2 4.23Å; V589-I643 HydrophobicContact CB-CD1 4.22Å; V589-I643 HydrophobicContact CG1-CD1 3.48Å; V589-I643 VanDerWaalsContact CG1-CD1 3.48Å; V589-I643 HydrophobicContact CG1-CG1 4.49Å; L590-I643 HydrophobicContact CD1-CG2 4.07Å; L590-I643 HydrophobicContact CD2-CB 4.01Å; L590-I643 HydrophobicContact CD2-CD1 3.94Å; L590-I643 HydrophobicContact CD2-CG2 3.68Å; L590-I643 HydrophobicContact CG-CG2 3.69Å; I639-I643 HydrophobicContact CG2-CD1 3.6Å; I639-I643 HydrophobicContact CG2-CG1 4.37Å; I639-I643 WeakPolarHBondContact O-CB 3.48Å; I639-I643 WeakPolarHBondContact O-CD1 2.98Å; I639-I643 WeakPolarHBondContact O-CG1 3.32Å; I639-I643 PolarHBondContact O-N 3.16Å; I643-R645 PolarHBondContact O-N 3.1Å; I643-K646 PolarHBondContact O-N 3.13Å; I643-M647 HydrophobicContact CG2-CE 4.14Å; I643-M647 HydrophobicContact CG2-SD 4.47Å; I643-M647 WeakPolarHBondContact O-CG 2.9Å; I643-M647 PolarHBondContact O-N 3.39Å
644	R	88.6	Confident	78.7	Confident	126 Å²	126	69.2 Å²	69.2	48%	0.475	35%	0.352	S	S	.	.	H	α-helix	trans	-60.5	-43.9	176.8	-75.9	172.2	-178.9	179.6	2.8	111.7	V640 Q641 D642 K646 M647 T648	V640-R644 WeakPolarHBondContact O-CB 3.2Å; V640-R644 VanDerWaalsContact O-CG 3.26Å; V640-R644 WeakPolarHBondContact O-CG 3.49Å; V640-R644 PolarHBondContact O-N 3.1Å; Q641-R644 PolarHBondContact O-N 3.43Å; D642-R644 VanDerWaalsContact C-N 3.34Å; D642-R644 PolarHBondContact O-N 3.23Å; R644-K646 PolarHBondContact O-N 3.08Å; R644-M647 WeakPolarHBondContact O-CB 3.39Å; R644-M647 PolarHBondContact O-N 2.82Å; R644-T648 WeakPolarHBondContact O-CG2 3.44Å; R644-T648 PolarHBondContact O-N 2.77Å; R644-T648 PolarHBondContact O-OG1 2.92Å
645	R	88.6	Confident	76.4	Confident	143 Å²	143	76 Å²	76	54%	0.54	39%	0.386	S	S	.	.	H	α-helix	trans	-57.5	-50	174.2	-68.6	-176.1	-54.7	176.5	3.3	111.2	Q641 D642 I643 M647 T648 S649	Q641-R645 WeakPolarHBondContact O-CG 3.27Å; Q641-R645 PolarHBondContact O-N 3.01Å; D642-R645 PolarHBondContact O-N 2.85Å; D642-R645 IonicContact OD1-CZ 2.73Å; D642-R645 IonicContact OD1-NE 3.62Å; D642-R645 IonicContact OD1-NH2 3.41Å; D642-R645 PolarHBondContact OD1-NH2 3.41Å; I643-R645 PolarHBondContact O-N 3.1Å; R645-M647 VanDerWaalsContact C-N 3.27Å; R645-M647 PolarHBondContact O-N 2.64Å; R645-T648 WeakPolarHBondContact CA-OG1 3.29Å; R645-T648 PolarHBondContact O-N 3.12Å; R645-T648 VanDerWaalsContact O-N 3.14Å; R645-T648 PolarHBondContact O-OG1 2.97Å; R645-S649 PolarHBondContact O-N 3.22Å; R645-S649 PolarHBondContact O-OG 2.95Å
646	K	87.6	Confident	73.9	Confident	58 Å²	58	74.9 Å²	74.9	25%	0.252	38%	0.38	S	S	.	.	H	α-helix	trans	-61.3	-29	177.8	-72.7	168.1	170.8	162.6	0	113.8	Y532 L586 D642 I643 R644 S649	Y532-K646 PolarHBondContact OH-NZ 2.9Å; L586-K646 HydrophobicContact CD1-CB 3.69Å; D642-K646 WeakPolarHBondContact O-CG 3.27Å; D642-K646 PolarHBondContact O-N 2.9Å; D642-K646 WeakPolarHBondContact OD2-CD 3.41Å; D642-K646 WeakPolarHBondContact OD2-CE 3.41Å; D642-K646 IonicContact OD2-NZ 3.68Å; D642-K646 PolarHBondContact OD2-NZ 2.94Å; I643-K646 PolarHBondContact O-N 3.13Å; R644-K646 PolarHBondContact O-N 3.08Å; K646-S649 PolarHBondContact O-OG 3.03Å
647	M	83.7	Confident	71.2	Confident	10 Å²	10	78.9 Å²	78.9	5%	0.049	40%	0.402	C	S	.	.	H	α-helix	trans	-71.4	-53.5	169.2	-71.2	179.5	168.1	0	0	111	L586 P587 L590 I643 R644 R645 S649 N650 W653	L586-M647 HydrophobicContact CB-CE 3.51Å; L586-M647 HydrophobicContact CB-CG 4.18Å; L586-M647 HydrophobicContact CD1-CG 3.83Å; P587-M647 HydrophobicContact CB-CE 4.33Å; P587-M647 HydrophobicContact CG-CE 3.82Å; L590-M647 HydrophobicContact CD1-CE 3.59Å; L590-M647 HydrophobicContact CD1-SD 4.08Å; L590-M647 HydrophobicContact CG-CE 4.37Å; I643-M647 HydrophobicContact CG2-CE 4.14Å; I643-M647 HydrophobicContact CG2-SD 4.47Å; I643-M647 WeakPolarHBondContact O-CG 2.9Å; I643-M647 PolarHBondContact O-N 3.39Å; R644-M647 WeakPolarHBondContact O-CB 3.39Å; R644-M647 PolarHBondContact O-N 2.82Å; R645-M647 VanDerWaalsContact C-N 3.27Å; R645-M647 PolarHBondContact O-N 2.64Å; M647-S649 VanDerWaalsContact C-N 3.29Å; M647-S649 PolarHBondContact O-N 2.98Å; M647-N650 PolarHBondContact O-N 2.66Å; M647-W653 HydrophobicContact CB-CG 4.44Å
648	T	79.4	Confident	68.8	Low	90 Å²	90	75.6 Å²	75.6	55%	0.552	39%	0.387	S	S	*	.	H	α-helix	trans	-63.6	-27.7	-175.1	52.8	0	0	0	0	114.6	R644 R645 N650	R644-T648 WeakPolarHBondContact O-CG2 3.44Å; R644-T648 PolarHBondContact O-N 2.77Å; R644-T648 PolarHBondContact O-OG1 2.92Å; R645-T648 WeakPolarHBondContact CA-OG1 3.29Å; R645-T648 PolarHBondContact O-N 3.12Å; R645-T648 VanDerWaalsContact O-N 3.14Å; R645-T648 PolarHBondContact O-OG1 2.97Å; T648-N650 PolarHBondContact O-N 2.8Å
649	S	72.7	Confident	66.2	Low	100 Å²	100	76.6 Å²	76.6	70%	0.699	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-13.8	175.9	55.9	0	0	0	0	113.7	R645 K646 M647	R645-S649 PolarHBondContact O-N 3.22Å; R645-S649 PolarHBondContact O-OG 2.95Å; K646-S649 PolarHBondContact O-OG 3.03Å; M647-S649 VanDerWaalsContact C-N 3.29Å; M647-S649 PolarHBondContact O-N 2.98Å
650	N	60.1	Low	63.7	Low	38 Å²	38	79.4 Å²	79.4	20%	0.203	41%	0.406	C	S	.	.	S	Bend	trans	-98.5	119.4	176.4	-169.3	-10.8	0	0	0	109.4	T583 M647 T648 K652 W653	T583-N650 HydrophobicContact CG2-CB 4.11Å; T583-N650 PolarHBondContact OG1-ND2 2.9Å; M647-N650 PolarHBondContact O-N 2.66Å; T648-N650 PolarHBondContact O-N 2.8Å; N650-K652 PolarHBondContact O-N 2.78Å; N650-W653 PolarHBondContact O-N 3.12Å
651	S	48.1	Very low	61.2	Low	95 Å²	95	83.4 Å²	83.4	66%	0.664	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-54.3	-23	-172.9	56.8	0	0	0	0	114.6	W653 T654	S651-W653 PolarHBondContact O-N 2.81Å; S651-T654 PolarHBondContact O-N 2.92Å; S651-T654 PolarHBondContact O-OG1 3.17Å
652	K	51.7	Low	58.7	Low	153 Å²	153	80.4 Å²	80.4	67%	0.665	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-60.9	-23.7	173.7	-68.4	-171.1	174.9	-173.1	0	114.5	N650	N650-K652 PolarHBondContact O-N 2.78Å
653	W	47.8	Very low	56.1	Low	57 Å²	57	84.2 Å²	84.2	22%	0.216	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-105.7	-2.3	-177.9	-63.2	92.9	0	0	0	113.7	P587 M647 N650 S651 N655 I656	P587-W653 HydrophobicContact CG-CH2 4.18Å; P587-W653 HydrophobicContact CG-CZ2 4.27Å; M647-W653 HydrophobicContact CB-CG 4.44Å; N650-W653 PolarHBondContact O-N 3.12Å; S651-W653 PolarHBondContact O-N 2.81Å; W653-N655 PolarHBondContact O-N 3.41Å; W653-I656 HydrophobicContact CD2-CD1 4.12Å; W653-I656 HydrophobicContact CE3-CB 3.92Å; W653-I656 HydrophobicContact CE3-CD1 3.5Å; W653-I656 VanDerWaalsContact CE3-CD1 3.5Å; W653-I656 HydrophobicContact CE3-CG1 4.27Å; W653-I656 HydrophobicContact CE3-CG2 3.96Å; W653-I656 HydrophobicContact CH2-CD1 4.5Å; W653-I656 HydrophobicContact CZ3-CB 4.46Å; W653-I656 HydrophobicContact CZ3-CD1 3.71Å; W653-I656 HydrophobicContact CZ3-CG2 4.05Å; W653-I656 PolarHBondContact O-N 2.91Å
654	T	42.2	Very low	53.5	Low	94 Å²	94	87.2 Å²	87.2	58%	0.577	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-4.6	-173.8	57.2	0	0	0	0	114.8	S651	S651-T654 PolarHBondContact O-N 2.92Å; S651-T654 PolarHBondContact O-OG1 3.17Å
655	N	39.3	Very low	51	Low	164 Å²	164	85.8 Å²	85.8	88%	0.877	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.3	8	171.9	-94.9	-27.1	0	0	0	113.3	W653	W653-N655 PolarHBondContact O-N 3.41Å
656	I	37.3	Very low	48.5	Very low	65 Å²	65	84.5 Å²	84.5	33%	0.333	45%	0.445	S	S	.	.			trans	-97.4	99.1	174.8	-61.1	172.9	0	0	0	107.1	W653 C658	W653-I656 HydrophobicContact CD2-CD1 4.12Å; W653-I656 HydrophobicContact CE3-CB 3.92Å; W653-I656 HydrophobicContact CE3-CD1 3.5Å; W653-I656 VanDerWaalsContact CE3-CD1 3.5Å; W653-I656 HydrophobicContact CE3-CG1 4.27Å; W653-I656 HydrophobicContact CE3-CG2 3.96Å; W653-I656 HydrophobicContact CH2-CD1 4.5Å; W653-I656 HydrophobicContact CZ3-CB 4.46Å; W653-I656 HydrophobicContact CZ3-CD1 3.71Å; W653-I656 HydrophobicContact CZ3-CG2 4.05Å; W653-I656 PolarHBondContact O-N 2.91Å; I656-C658 VanDerWaalsContact C-N 3.26Å; I656-C658 PolarHBondContact O-N 3.44Å
657	D	33.1	Very low	46.1	Very low	98 Å²	98	87.3 Å²	87.3	52%	0.524	45%	0.454	S	S	.	.			trans	-68	90.2	170.1	-167.1	-5	0	0	0	108.4	H659 E660 E661	D657-H659 PolarHBondContact O-N 2.97Å; D657-H659 VanDerWaalsContact OD1-CB 3.3Å; D657-H659 WeakPolarHBondContact OD1-CB 3.32Å; D657-H659 PolarHBondContact OD1-N 3.05Å; D657-E660 HydrophobicContact CB-CB 4.2Å; D657-E660 WeakPolarHBondContact O-CA 3.43Å; D657-E660 PolarHBondContact O-N 3.45Å; D657-E661 PolarHBondContact O-N 3.22Å
658	C	39.5	Very low	43.9	Very low	48 Å²	48	92 Å²	92	32%	0.324	47%	0.474	S	S	.	.	H	α-helix	trans	-58.2	-19.5	178.6	-67.3	0	0	0	0	112	I656 E660 I662	I656-C658 VanDerWaalsContact C-N 3.26Å; I656-C658 PolarHBondContact O-N 3.44Å; C658-E660 VanDerWaalsContact C-N 3.32Å; C658-I662 WeakPolarHBondContact O-CB 3.36Å; C658-I662 VanDerWaalsContact O-CG1 3.27Å; C658-I662 WeakPolarHBondContact O-CG1 3.4Å; C658-I662 PolarHBondContact O-N 3.11Å; C658-I662 VanDerWaalsContact O-N 3.14Å
659	H	36.9	Very low	41.9	Very low	102 Å²	102	92.1 Å²	92.1	47%	0.472	47%	0.474	S	S	.	.	H	α-helix	trans	-67.3	-33.7	169.2	-105.9	-64.7	0	0	0	112.2	D657 R663	D657-H659 PolarHBondContact O-N 2.97Å; D657-H659 VanDerWaalsContact OD1-CB 3.3Å; D657-H659 WeakPolarHBondContact OD1-CB 3.32Å; D657-H659 PolarHBondContact OD1-N 3.05Å; H659-R663 WeakPolarHBondContact O-CB 3.42Å; H659-R663 VanDerWaalsContact O-CD 3.3Å; H659-R663 WeakPolarHBondContact O-CD 3.17Å; H659-R663 WeakPolarHBondContact O-CG 3.47Å; H659-R663 PolarHBondContact O-N 3.09Å
660	E	39.2	Very low	40.1	Very low	61 Å²	61	94 Å²	94	29%	0.285	48%	0.476	S	S	.	.	H	α-helix	trans	-82.4	-31.2	-178.9	-149.7	62.5	-168.6	0	0	112.5	D657 C658 R663 N664 R667	D657-E660 HydrophobicContact CB-CB 4.2Å; D657-E660 WeakPolarHBondContact O-CA 3.43Å; D657-E660 PolarHBondContact O-N 3.45Å; C658-E660 VanDerWaalsContact C-N 3.32Å; E660-R663 WeakPolarHBondContact OE2-CD 3.3Å; E660-R663 IonicContact OE2-NH1 2.67Å; E660-R663 PolarHBondContact OE2-NH1 2.72Å; E660-N664 WeakPolarHBondContact O-CA 3.37Å; E660-N664 WeakPolarHBondContact O-CB 3.32Å; E660-N664 PolarHBondContact O-N 3.08Å; E660-N664 PolarHBondContact O-ND2 3.45Å; E660-R667 IonicContact OE1-CZ 3.6Å; E660-R667 IonicContact OE1-NH1 2.65Å; E660-R667 PolarHBondContact OE1-NH1 3.38Å; E660-R667 IonicContact OE1-NH2 3.69Å; E660-R667 IonicContact OE2-NH1 3.9Å; E660-R667 IonicContact OE2-NH2 3.98Å
661	E	38.9	Very low	39	Very low	107 Å²	107	102.7 Å²	102.7	50%	0.5	51%	0.506	S	S	.	.	H	α-helix	trans	-68.3	-46.5	168.1	-74.5	-161.7	142.4	0	0	112.1	D657 R663 N664 V665	D657-E661 PolarHBondContact O-N 3.22Å; E661-R663 PolarHBondContact O-N 3.24Å; E661-N664 PolarHBondContact O-N 3.2Å; E661-N664 VanDerWaalsContact O-N 3.13Å; E661-V665 WeakPolarHBondContact O-CG2 3.3Å; E661-V665 PolarHBondContact O-N 2.75Å
662	I	38.7	Very low	38.3	Very low	59 Å²	59	104.6 Å²	104.6	30%	0.303	51%	0.506	S	S	.	.	H	α-helix	trans	-65.8	-39.1	177.1	-65.7	171.5	0	0	0	110.8	C658 Q666	C658-I662 WeakPolarHBondContact O-CB 3.36Å; C658-I662 VanDerWaalsContact O-CG1 3.27Å; C658-I662 WeakPolarHBondContact O-CG1 3.4Å; C658-I662 PolarHBondContact O-N 3.11Å; C658-I662 VanDerWaalsContact O-N 3.14Å; I662-Q666 WeakPolarHBondContact O-CB 3.38Å; I662-Q666 VanDerWaalsContact O-CG 3.31Å; I662-Q666 WeakPolarHBondContact O-CG 3.31Å; I662-Q666 PolarHBondContact O-N 3.31Å
663	R	34.3	Very low	37.3	Very low	99 Å²	99	106.7 Å²	106.7	37%	0.374	52%	0.515	S	S	.	.	H	α-helix	trans	-68	-32.9	170.7	-76.1	168.1	-175.1	157.9	3.3	112.5	H659 E660 E661 Q666 R667	H659-R663 WeakPolarHBondContact O-CB 3.42Å; H659-R663 VanDerWaalsContact O-CD 3.3Å; H659-R663 WeakPolarHBondContact O-CD 3.17Å; H659-R663 WeakPolarHBondContact O-CG 3.47Å; H659-R663 PolarHBondContact O-N 3.09Å; E660-R663 WeakPolarHBondContact OE2-CD 3.3Å; E660-R663 IonicContact OE2-NH1 2.67Å; E660-R663 PolarHBondContact OE2-NH1 2.72Å; E661-R663 PolarHBondContact O-N 3.24Å; R663-Q666 PolarHBondContact O-N 3.48Å; R663-R667 WeakPolarHBondContact O-CA 3.47Å; R663-R667 WeakPolarHBondContact O-CB 3.47Å; R663-R667 WeakPolarHBondContact O-CG 3.46Å; R663-R667 PolarHBondContact O-N 3.4Å
664	N	35.3	Very low	36.4	Very low	64 Å²	64	115.8 Å²	115.8	34%	0.342	56%	0.563	S	S	.	*	H	α-helix	trans	-73.6	-31.6	178	-81.7	-32.6	0	0	0	112	E660 E661 K668	E660-N664 WeakPolarHBondContact O-CA 3.37Å; E660-N664 WeakPolarHBondContact O-CB 3.32Å; E660-N664 PolarHBondContact O-N 3.08Å; E660-N664 PolarHBondContact O-ND2 3.45Å; E661-N664 PolarHBondContact O-N 3.2Å; E661-N664 VanDerWaalsContact O-N 3.13Å; N664-K668 VanDerWaalsContact O-CB 3.28Å; N664-K668 WeakPolarHBondContact O-CB 3.43Å; N664-K668 WeakPolarHBondContact O-CD 3.13Å; N664-K668 WeakPolarHBondContact O-CG 3.43Å; N664-K668 PolarHBondContact O-N 3.47Å; N664-K668 VanDerWaalsContact O-N 3.14Å
665	V	37.1	Very low	36.1	Very low	97 Å²	97	116.9 Å²	116.9	59%	0.588	56%	0.562	S	S	*	*	H	α-helix	trans	-63.3	-55.8	165.1	173.9	0	0	0	0	109.4	E661 R667 K668 T669	E661-V665 WeakPolarHBondContact O-CG2 3.3Å; E661-V665 PolarHBondContact O-N 2.75Å; V665-R667 PolarHBondContact O-N 3.46Å; V665-K668 PolarHBondContact O-N 3.1Å; V665-T669 PolarHBondContact O-N 2.91Å; V665-T669 PolarHBondContact O-OG1 2.82Å
666	Q	35.8	Very low	36	Very low	115 Å²	115	114.4 Å²	114.4	54%	0.537	55%	0.546	S	S	.	.	H	α-helix	trans	-61.8	-37.6	-178.1	-71.8	175.6	-20.7	0	0	114.3	I662 R663 L670	I662-Q666 WeakPolarHBondContact O-CB 3.38Å; I662-Q666 VanDerWaalsContact O-CG 3.31Å; I662-Q666 WeakPolarHBondContact O-CG 3.31Å; I662-Q666 PolarHBondContact O-N 3.31Å; R663-Q666 PolarHBondContact O-N 3.48Å; Q666-L670 WeakPolarHBondContact O-CB 3.33Å; Q666-L670 PolarHBondContact O-N 2.7Å; Q666-L670 VanDerWaalsContact O-N 3.11Å
667	R	37.8	Very low	35.9	Very low	117 Å²	117	117.2 Å²	117.2	44%	0.442	56%	0.558	S	S	.	*	H	α-helix	trans	-73.3	-31.5	177.2	-73	172.8	-175.3	156.1	1.2	112.3	E660 R663 V665 L670 R671	E660-R667 IonicContact OE1-CZ 3.6Å; E660-R667 IonicContact OE1-NH1 2.65Å; E660-R667 PolarHBondContact OE1-NH1 3.38Å; E660-R667 IonicContact OE1-NH2 3.69Å; E660-R667 IonicContact OE2-NH1 3.9Å; E660-R667 IonicContact OE2-NH2 3.98Å; R663-R667 WeakPolarHBondContact O-CA 3.47Å; R663-R667 WeakPolarHBondContact O-CB 3.47Å; R663-R667 WeakPolarHBondContact O-CG 3.46Å; R663-R667 PolarHBondContact O-N 3.4Å; V665-R667 PolarHBondContact O-N 3.46Å; R667-L670 PolarHBondContact O-N 3.4Å; R667-R671 PolarHBondContact O-N 3.08Å
668	K	37.2	Very low	36	Very low	110 Å²	110	118.3 Å²	118.3	48%	0.478	56%	0.56	S	S	.	*	H	α-helix	trans	-68.9	-42.1	172.1	-78	168.9	-178.8	157.9	0	110.6	N664 V665 L670 R671	N664-K668 VanDerWaalsContact O-CB 3.28Å; N664-K668 WeakPolarHBondContact O-CB 3.43Å; N664-K668 WeakPolarHBondContact O-CD 3.13Å; N664-K668 WeakPolarHBondContact O-CG 3.43Å; N664-K668 PolarHBondContact O-N 3.47Å; N664-K668 VanDerWaalsContact O-N 3.14Å; V665-K668 PolarHBondContact O-N 3.1Å; K668-L670 PolarHBondContact O-N 3.26Å; K668-R671 PolarHBondContact O-N 3.38Å
669	T	37.8	Very low	35.8	Very low	91 Å²	91	122.7 Å²	122.7	56%	0.558	57%	0.574	S	S	*	*	H	α-helix	trans	-65.2	-24.8	174.3	-43.5	0	0	0	0	113.3	V665	V665-T669 PolarHBondContact O-N 2.91Å; V665-T669 PolarHBondContact O-OG1 2.82Å
670	L	34.5	Very low	35.8	Very low	141 Å²	141	124.1 Å²	124.1	74%	0.738	58%	0.581	S	S	*	*	H	α-helix	trans	-92.8	-7.3	179.1	-93.7	157.3	0	0	0	115.8	Q666 R667 K668	Q666-L670 WeakPolarHBondContact O-CB 3.33Å; Q666-L670 PolarHBondContact O-N 2.7Å; Q666-L670 VanDerWaalsContact O-N 3.11Å; R667-L670 PolarHBondContact O-N 3.4Å; K668-L670 PolarHBondContact O-N 3.26Å
671	R	35.7	Very low	35.5	Very low	220 Å²	220	128.6 Å²	128.6	83%	0.83	60%	0.602	S	S	*	*	H	α-helix	trans	-103.3	-1.6	179.3	-81.3	-172.1	172.3	-177.5	-1.8	115.8	R667 K668 K673	R667-R671 PolarHBondContact O-N 3.08Å; K668-R671 PolarHBondContact O-N 3.38Å; R671-K673 PolarHBondContact O-N 3.02Å
672	M	34.8	Very low	35.3	Very low	134 Å²	134	130.2 Å²	130.2	66%	0.66	61%	0.61	S	S	*	*	S	Bend	trans	-88.6	40.5	169.6	-67	-176.9	112.3	0	0	112.9
673	K	30.1	Very low	35	Very low	197 Å²	197	136.2 Å²	136.2	86%	0.857	64%	0.636	S	S	*	*			trans	-136.5	44.4	172.4	-80.4	-169.3	176.9	177.1	0	112.2	R671	R671-K673 PolarHBondContact O-N 3.02Å
674	M	29.2	Very low	35	Very low	249 Å²	249	139.5 Å²	139.5	100%	1.227	66%	0.66	S	S	*	*			trans	-137.8	0	145.5	-76.4	-171.9	77.6	0	0	107.1

Retrieved 674 of 674 residues in 868 ms (Link to these results)

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