A0A5K4F321_SCHMA Loading...

Innexin AlphaSync

Structural component of the gap junctions.

AlphaFold DB , UniProt , Accession A0A5K4F321, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene inx, Length 762 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	38.3	Very low	41.4	Very low	227 Å²	227	157.4 Å²	157.4	100%	1.118	85%	0.851	S	S	*	*				0	160.5	0	-72.9	99.4	153.9	0	0	109.7
2	T	39.3	Very low	41.5	Very low	133 Å²	133	159.8 Å²	159.8	82%	0.816	85%	0.852	S	S	*	*			trans	30.8	99.3	156.2	52.3	0	0	0	0	116.8
3	R	36.1	Very low	41.1	Very low	226 Å²	226	158.3 Å²	158.3	85%	0.853	84%	0.844	S	S	*	*			cis	65.3	123.8	32.4	-160	-178.8	-172.5	176	5.1	114.7	D5	R3-D5 IonicContact NE-OD2 3.63Å
4	G	52.2	Low	41.1	Very low	79 Å²	79	162.6 Å²	162.6	81%	0.814	85%	0.845	S	S	*	*			trans	-179.3	81.6	175.9	0	0	0	0	0	111.7
5	D	41.4	Very low	40.8	Very low	119 Å²	119	164.7 Å²	164.7	64%	0.636	84%	0.838	S	S	*	*			trans	-80.7	155.5	173.9	-62	-81.7	0	0	0	111.5	R3	R3-D5 IonicContact NE-OD2 3.63Å
6	H	50.5	Low	40.5	Very low	197 Å²	197	166.9 Å²	166.9	91%	0.912	83%	0.833	S	S	*	*			trans	-160.7	138.5	137.2	-106.9	-69.4	0	0	0	113.7
7	R	37.5	Very low	40.8	Very low	232 Å²	232	167.6 Å²	167.6	88%	0.875	83%	0.832	S	S	*	*			trans	-103.5	151.4	170.9	-64	166.6	163	172.4	-8.3	109.9
8	R	39.6	Very low	40.8	Very low	245 Å²	245	164.1 Å²	164.1	93%	0.925	82%	0.821	S	S	*	*				-173.6	167.9	111	-112.6	-178.3	169.6	174.2	-3.2	115.9
9	S	37.5	Very low	40.6	Very low	121 Å²	121	161.9 Å²	161.9	85%	0.846	82%	0.824	S	S	*	*			trans	-76.2	162.5	-167.2	-36.6	0	0	0	0	116.5
10	G	46	Very low	40.9	Very low	83 Å²	83	157 Å²	157	86%	0.856	82%	0.815	S	S	*	*			trans	-174.6	140.3	156.8	0	0	0	0	0	110.4
11	G	36.7	Very low	40.9	Very low	69 Å²	69	158.2 Å²	158.2	71%	0.711	82%	0.816	S	S	*	*			trans	-176.2	161.6	179.1	0	0	0	0	0	113
12	H	42.3	Very low	41	Very low	186 Å²	186	154.1 Å²	154.1	86%	0.861	80%	0.797	S	S	*	*			trans	-162.1	151.2	173.7	-110	-74.1	0	0	0	111.9
13	D	37.5	Very low	41.1	Very low	141 Å²	141	156.1 Å²	156.1	75%	0.754	80%	0.797	S	S	*	*			trans	-76.3	170.1	177.1	-54	-98.6	0	0	0	114.8
14	Y	40	Very low	41.2	Very low	218 Å²	218	148.9 Å²	148.9	86%	0.855	79%	0.786	S	S	*	*				-168.7	177.6	110.3	-116	-95.2	0	0	0	114
15	R	37.1	Very low	40.6	Very low	195 Å²	195	150.6 Å²	150.6	74%	0.736	79%	0.785	S	S	*	*			trans	-105.1	153.9	-150.8	-82.2	176.6	167.1	166.4	-2.8	119
16	R	36.6	Very low	40.4	Very low	200 Å²	200	151.9 Å²	151.9	76%	0.755	79%	0.792	S	S	*	*			trans	47.7	138.3	135	-67.8	-177.3	173.8	-174.5	-2.7	123.4
17	H	45.9	Very low	40	Very low	178 Å²	178	148.3 Å²	148.3	82%	0.824	79%	0.789	S	S	*	*				-169.9	133.9	118.9	-91.1	-72.2	0	0	0	106.5
18	T	39.4	Very low	40.1	Very low	104 Å²	104	146.1 Å²	146.1	64%	0.638	79%	0.788	S	S	*	*				66.3	133.8	52.7	67.8	0	0	0	0	115.3
19	S	38.4	Very low	40.2	Very low	124 Å²	124	139.6 Å²	139.6	87%	0.867	78%	0.778	S	S	*	*			cis	-171.3	162.9	-9.4	-85.1	0	0	0	0	111
20	G	45.6	Very low	40.3	Very low	62 Å²	62	145.7 Å²	145.7	64%	0.639	78%	0.782	S	S	*	*			trans	145.7	114.6	167.2	0	0	0	0	0	112.9
21	H	41.1	Very low	39.7	Very low	184 Å²	184	148 Å²	148	85%	0.852	78%	0.78	S	S	*	*				65.2	130.9	82.5	-71.5	-41.7	0	0	0	113.6
22	I	40.7	Very low	39.7	Very low	140 Å²	140	154 Å²	154	72%	0.718	79%	0.787	S	S	*	*			cis	-161.5	172.8	-2.7	-133.8	165.2	0	0	0	106.7
23	H	40.7	Very low	39.4	Very low	176 Å²	176	149.2 Å²	149.2	82%	0.815	77%	0.774	S	S	*	*			cis	-143.8	-101	25.9	-156.9	-46.8	0	0	0	115.4
24	A	39	Very low	39.3	Very low	74 Å²	74	146.6 Å²	146.6	61%	0.612	78%	0.78	S	S	*	*			trans	-156.8	176.3	-169.2	0	0	0	0	0	108.9
25	S	40.1	Very low	39.1	Very low	114 Å²	114	140.1 Å²	140.1	80%	0.797	78%	0.78	S	S	*	*			cis	-152.8	172.1	27.2	-53.5	0	0	0	0	113.9
26	D	37.5	Very low	39	Very low	147 Å²	147	135.7 Å²	135.7	79%	0.786	79%	0.785	S	S	*	*			trans	-80	160.7	-168.8	-49.3	-96.6	0	0	0	117.9
27	S	41	Very low	38.9	Very low	122 Å²	122	130.3 Å²	130.3	85%	0.853	78%	0.784	S	S	*	*				-175.5	159.1	113.5	38.3	0	0	0	0	113.3
28	H	40.5	Very low	38.5	Very low	185 Å²	185	131 Å²	131	86%	0.856	79%	0.787	S	S	*	*			trans	-100.3	160.7	-165.3	-99.6	-86.3	0	0	0	115.3
29	P	41.4	Very low	38.1	Very low	108 Å²	108	131.8 Å²	131.8	70%	0.701	79%	0.792	S	S	*	*			trans	-98.3	162.9	-172.3	38.9	-35.5	0	0	0	114.8
30	R	38.5	Very low	38	Very low	250 Å²	250	134.9 Å²	134.9	94%	0.943	79%	0.792	S	S	*	*			trans	-144.2	153.8	158.6	-72.8	-162.8	178	-170.7	0.7	113.2
31	T	34.5	Very low	37.6	Very low	131 Å²	131	138.9 Å²	138.9	80%	0.804	80%	0.804	S	S	*	*			trans	-89.9	156.7	174.7	48.4	0	0	0	0	111.7
32	F	36.3	Very low	37.3	Very low	194 Å²	194	132.9 Å²	132.9	85%	0.851	79%	0.792	S	S	*	*				175.3	152.2	104.5	-158.8	-120.3	0	0	0	113.9
33	S	36.8	Very low	37.2	Very low	86 Å²	86	136 Å²	136	60%	0.601	80%	0.804	S	S	*	*			trans	1	126.1	167.2	-52.7	0	0	0	0	123.7
34	G	35	Very low	36.9	Very low	86 Å²	86	131.6 Å²	131.6	89%	0.887	81%	0.806	S	S	*	*				90.3	139.9	104.7	0	0	0	0	0	120.2
35	G	34.8	Very low	36.9	Very low	82 Å²	82	132 Å²	132	85%	0.845	82%	0.817	S	S	*	*			trans	158.3	128.1	169.6	0	0	0	0	0	114.1
36	A	36.1	Very low	36.8	Very low	102 Å²	102	133.9 Å²	133.9	84%	0.843	82%	0.824	S	S	*	*			trans	-72.5	148.9	-170.9	0	0	0	0	0	116.5
37	A	34.4	Very low	36.8	Very low	88 Å²	88	130.6 Å²	130.6	73%	0.727	82%	0.824	S	S	*	*			trans	24.1	137.2	141.4	0	0	0	0	0	122.2
38	H	36.1	Very low	36.5	Very low	191 Å²	191	128.5 Å²	128.5	88%	0.884	82%	0.822	S	S	*	*				-158.7	177.6	114.5	-116.5	-92	0	0	0	110.6
39	T	31.3	Very low	36.4	Very low	122 Å²	122	128.1 Å²	128.1	75%	0.748	83%	0.825	S	S	*	*			trans	-150.7	117.3	-172.4	-56.5	0	0	0	0	113.5
40	E	36.7	Very low	36.3	Very low	188 Å²	188	129.2 Å²	129.2	88%	0.879	83%	0.83	S	S	*	*			trans	-145.5	138.6	163.7	-65.3	178.3	133.8	0	0	105.3
41	V	36.8	Very low	36.4	Very low	146 Å²	146	120.9 Å²	120.9	89%	0.885	82%	0.822	S	S	*	*			cis	86.6	124.6	25	-172.3	0	0	0	0	113.7
42	G	35.9	Very low	36.5	Very low	58 Å²	58	121.3 Å²	121.3	60%	0.598	82%	0.819	S	S	*	*			trans	125.2	107.9	-166.8	0	0	0	0	0	109
43	E	37.6	Very low	36.5	Very low	206 Å²	206	116.4 Å²	116.4	96%	0.963	81%	0.808	S	S	*	*				59.2	127.4	71.1	-60.2	-169.5	132.6	0	0	112.9
44	G	35.7	Very low	36.5	Very low	84 Å²	84	121.6 Å²	121.6	87%	0.866	82%	0.823	S	S	*	*			cis	177.7	164	-4.4	0	0	0	0	0	110.2
45	G	37.2	Very low	36.5	Very low	81 Å²	81	121.1 Å²	121.1	84%	0.835	82%	0.818	S	S	*	*			trans	179.7	126.4	178.3	0	0	0	0	0	113.8
46	V	38	Very low	36.5	Very low	155 Å²	155	123 Å²	123	94%	0.939	82%	0.818	S	S	*	*			trans	-123.7	132.6	-174	178.8	0	0	0	0	110.7
47	G	38.7	Very low	36.4	Very low	78 Å²	78	127.1 Å²	127.1	80%	0.804	82%	0.82	S	S	*	*			trans	172.3	118.7	172.9	0	0	0	0	0	110.1
48	G	34.2	Very low	36.3	Very low	77 Å²	77	127.7 Å²	127.7	79%	0.794	82%	0.818	S	S	*	*			cis	118.4	74	-0.7	0	0	0	0	0	112.4
49	L	37.9	Very low	36.1	Very low	177 Å²	177	128.4 Å²	128.4	93%	0.927	82%	0.819	S	S	*	*			trans	-148.9	145.9	165.3	-107.6	170.6	0	0	0	109.3
50	V	39.1	Very low	36.1	Very low	132 Å²	132	126.5 Å²	126.5	80%	0.8	82%	0.824	S	S	*	*			trans	-106.1	142.3	-174.1	176.2	0	0	0	0	109.8
51	G	41.1	Very low	35.9	Very low	75 Å²	75	121.3 Å²	121.3	77%	0.773	82%	0.821	S	S	*	*			trans	-151.6	138.5	172.9	0	0	0	0	0	109.5
52	D	36.5	Very low	35.9	Very low	140 Å²	140	123.1 Å²	123.1	75%	0.749	82%	0.819	S	S	*	*			trans	-102.7	141.7	-149.7	-113.3	-59.7	0	0	0	117
53	S	35.9	Very low	36	Very low	90 Å²	90	128.4 Å²	128.4	63%	0.629	83%	0.828	S	S	*	*			trans	70.3	156	141.6	-70.2	0	0	0	0	122.5
54	H	38.4	Very low	36.1	Very low	195 Å²	195	124.4 Å²	124.4	90%	0.903	82%	0.82	S	S	*	*			trans	71.4	108.4	175.7	-59.8	-80.8	0	0	0	118.6
55	G	35.1	Very low	36.2	Very low	77 Å²	77	123 Å²	123	79%	0.794	81%	0.805	S	S	*	*			trans	172.6	44	174.6	0	0	0	0	0	115.8	H57	G55-H57 PolarHBondContact O-N 2.97Å; G55-H57 VanDerWaalsContact O-N 3.12Å
56	S	32.9	Very low	36.4	Very low	120 Å²	120	121.9 Å²	121.9	84%	0.839	79%	0.794	S	S	*	*			trans	-67.9	106.2	-176.2	-54.5	0	0	0	0	112.9
57	H	35.2	Very low	36.8	Very low	190 Å²	190	121 Å²	121	88%	0.88	79%	0.788	S	S	*	*			trans	-146.5	134	157.6	-110.9	-81.5	0	0	0	112.2	G55	G55-H57 PolarHBondContact O-N 2.97Å; G55-H57 VanDerWaalsContact O-N 3.12Å
58	S	31.7	Very low	37.6	Very low	99 Å²	99	121.2 Å²	121.2	69%	0.692	77%	0.77	S	S	*	*			trans	-111.8	177.4	177	-173.6	0	0	0	0	110.4
59	F	32.1	Very low	38.9	Very low	207 Å²	207	121.6 Å²	121.6	91%	0.908	75%	0.754	S	S	*	*			trans	76.4	124.4	175.6	-77.2	-96.7	0	0	0	119.7
60	G	31.2	Very low	40	Very low	82 Å²	82	116.6 Å²	116.6	85%	0.845	74%	0.738	S	S	*	*			trans	119.6	119.2	133.6	0	0	0	0	0	116.2
61	G	33	Very low	41.5	Very low	79 Å²	79	113.2 Å²	113.2	81%	0.814	72%	0.718	S	S	*	*			trans	147.3	33.7	166.2	0	0	0	0	0	119	E63	G61-E63 PolarHBondContact O-N 3.11Å; G61-E63 VanDerWaalsContact O-N 3.17Å
62	H	36.8	Very low	42.8	Very low	184 Å²	184	114.8 Å²	114.8	85%	0.852	70%	0.703	S	S	*	*			trans	-83.8	86.8	175.5	-166.8	-62.1	0	0	0	111.7	P64	H62-P64 WeakPolarHBondContact O-CD 3.49Å
63	E	38.4	Very low	43.9	Very low	169 Å²	169	112.5 Å²	112.5	79%	0.79	69%	0.69	S	S	*	*			trans	-63	128.4	170.6	-82.1	-160.4	99.6	0	0	111.8	G61 G65	G61-E63 PolarHBondContact O-N 3.11Å; G61-E63 VanDerWaalsContact O-N 3.17Å; E63-G65 PolarHBondContact O-N 3.43Å
64	P	39.5	Very low	45	Very low	122 Å²	122	115 Å²	115	79%	0.792	69%	0.686	S	S	*	*			trans	-82.5	64.4	163.6	35.3	-32.9	0	0	0	109.7	H62 G66	H62-P64 WeakPolarHBondContact O-CD 3.49Å; P64-G66 PolarHBondContact O-N 3.48Å
65	G	37.7	Very low	46.1	Very low	53 Å²	53	111.3 Å²	111.3	55%	0.546	67%	0.667	S	S	.	*			trans	-60.6	100.4	175.7	0	0	0	0	0	110.7	E63 V67	E63-G65 PolarHBondContact O-N 3.43Å; G65-V67 VanDerWaalsContact C-N 3.3Å; G65-V67 PolarHBondContact O-N 2.92Å
66	G	41.4	Very low	47.2	Very low	59 Å²	59	110.2 Å²	110.2	61%	0.608	64%	0.643	S	S	*	*			trans	-71.1	72.3	-169.4	0	0	0	0	0	114.6	P64 M68	P64-G66 PolarHBondContact O-N 3.48Å; G66-M68 PolarHBondContact O-N 3.38Å
67	V	46.2	Very low	48.3	Very low	135 Å²	135	107.5 Å²	107.5	82%	0.818	62%	0.621	S	S	*	*			trans	-60.8	108.6	172.9	-176.2	0	0	0	0	109	G65 D69	G65-V67 VanDerWaalsContact C-N 3.3Å; G65-V67 PolarHBondContact O-N 2.92Å; V67-D69 PolarHBondContact O-N 3.06Å
68	M	56.1	Low	49.4	Very low	84 Å²	84	103.8 Å²	103.8	41%	0.414	60%	0.603	S	S	.	*			trans	-64.9	99.9	173	-77.8	178.8	-82	0	0	109.5	G66 A70 I115	G66-M68 PolarHBondContact O-N 3.38Å; M68-A70 PolarHBondContact O-N 2.94Å; M68-I115 HydrophobicContact CE-CD1 4.08Å; M68-I115 HydrophobicContact CE-CG1 3.99Å; M68-I115 HydrophobicContact SD-CD1 4.44Å; M68-I115 HydrophobicContact SD-CG1 4.17Å
69	D	60.5	Low	50.6	Low	85 Å²	85	103.6 Å²	103.6	46%	0.455	59%	0.594	S	S	.	*			trans	-44.2	132.7	179.3	168.3	25.8	0	0	0	112	V67 T71 F72 I73	V67-D69 PolarHBondContact O-N 3.06Å; D69-T71 VanDerWaalsContact CG-N 3.33Å; D69-T71 PolarHBondContact O-N 3.29Å; D69-T71 VanDerWaalsContact O-N 3.1Å; D69-T71 WeakPolarHBondContact OD1-CG2 3.2Å; D69-T71 PolarHBondContact OD1-N 2.77Å; D69-T71 VanDerWaalsContact OD2-CB 3.23Å; D69-T71 WeakPolarHBondContact OD2-CB 3.42Å; D69-T71 WeakPolarHBondContact OD2-CG2 3.38Å; D69-T71 PolarHBondContact OD2-OG1 3.2Å; D69-F72 WeakPolarHBondContact O-CA 3.38Å; D69-F72 VanDerWaalsContact O-CB 3.3Å; D69-F72 WeakPolarHBondContact O-CB 3.47Å; D69-F72 PolarHBondContact O-N 3.16Å; D69-I73 PolarHBondContact O-N 3.37Å
70	A	61	Low	51.5	Low	72 Å²	72	94.9 Å²	94.9	60%	0.595	56%	0.562	S	S	*	*	H	α-helix	trans	-54.6	-28.2	174.8	0	0	0	0	0	112.5	M68 F72 I73 W74	M68-A70 PolarHBondContact O-N 2.94Å; A70-F72 VanDerWaalsContact C-N 3.31Å; A70-F72 PolarHBondContact O-N 2.86Å; A70-I73 PolarHBondContact O-N 3.15Å; A70-W74 VanDerWaalsContact O-CB 3.27Å; A70-W74 WeakPolarHBondContact O-CB 3.47Å; A70-W74 PolarHBondContact O-N 3.27Å
71	T	70.7	Confident	52.4	Low	61 Å²	61	96.8 Å²	96.8	37%	0.374	54%	0.543	S	S	.	.	H	α-helix	trans	-66.5	-30.7	172.3	91.2	0	0	0	0	112.7	D69 K75	D69-T71 VanDerWaalsContact CG-N 3.33Å; D69-T71 PolarHBondContact O-N 3.29Å; D69-T71 VanDerWaalsContact O-N 3.1Å; D69-T71 WeakPolarHBondContact OD1-CG2 3.2Å; D69-T71 PolarHBondContact OD1-N 2.77Å; D69-T71 VanDerWaalsContact OD2-CB 3.23Å; D69-T71 WeakPolarHBondContact OD2-CB 3.42Å; D69-T71 WeakPolarHBondContact OD2-CG2 3.38Å; D69-T71 PolarHBondContact OD2-OG1 3.2Å; T71-K75 VanDerWaalsContact O-CB 3.27Å; T71-K75 WeakPolarHBondContact O-CB 3.46Å; T71-K75 VanDerWaalsContact O-CD 3.24Å; T71-K75 WeakPolarHBondContact O-CD 3.45Å; T71-K75 WeakPolarHBondContact O-CG 3.32Å; T71-K75 PolarHBondContact O-N 3.01Å; T71-K75 PolarHBondContact OG1-NZ 3.15Å
72	F	68.1	Low	53.4	Low	107 Å²	107	98.6 Å²	98.6	47%	0.469	53%	0.533	S	S	.	.	H	α-helix	trans	-68.4	-49	173.2	-176.2	-115.6	0	0	0	110.6	D69 A70 W74 K75 L76	D69-F72 WeakPolarHBondContact O-CA 3.38Å; D69-F72 VanDerWaalsContact O-CB 3.3Å; D69-F72 WeakPolarHBondContact O-CB 3.47Å; D69-F72 PolarHBondContact O-N 3.16Å; A70-F72 VanDerWaalsContact C-N 3.31Å; A70-F72 PolarHBondContact O-N 2.86Å; F72-W74 VanDerWaalsContact C-N 3.28Å; F72-W74 PolarHBondContact O-N 3.02Å; F72-K75 CarbonylContact O-C 3.6Å; F72-K75 WeakPolarHBondContact O-CB 3.43Å; F72-K75 PolarHBondContact O-N 3.07Å; F72-K75 VanDerWaalsContact O-N 3.08Å; F72-L76 HydrophobicContact CD1-CD1 3.88Å; F72-L76 HydrophobicContact CD1-CG 4.32Å; F72-L76 HydrophobicContact CE1-CD1 3.56Å; F72-L76 HydrophobicContact CE1-CD2 4.4Å; F72-L76 HydrophobicContact CE1-CG 4.11Å; F72-L76 HydrophobicContact CE2-CD2 4.22Å; F72-L76 HydrophobicContact CE2-CG 4.33Å; F72-L76 HydrophobicContact CZ-CD1 3.99Å; F72-L76 HydrophobicContact CZ-CD2 3.97Å; F72-L76 HydrophobicContact CZ-CG 4.11Å; F72-L76 WeakPolarHBondContact O-CG 3.36Å; F72-L76 PolarHBondContact O-N 2.81Å
73	I	60.9	Low	53.9	Low	93 Å²	93	91.1 Å²	91.1	48%	0.477	51%	0.506	S	S	.	.	H	α-helix	trans	-59.5	-40	175.8	-60.9	176.8	0	0	0	111	D69 A70 L76 T77	D69-I73 PolarHBondContact O-N 3.37Å; A70-I73 PolarHBondContact O-N 3.15Å; I73-L76 PolarHBondContact O-N 3.38Å; I73-T77 WeakPolarHBondContact O-CB 3.08Å; I73-T77 PolarHBondContact O-N 3.31Å; I73-T77 PolarHBondContact O-OG1 2.76Å
74	W	57.5	Low	54.3	Low	142 Å²	142	85.9 Å²	85.9	54%	0.538	49%	0.488	S	S	.	.	H	α-helix	trans	-67.9	-37.7	174.7	-168.4	91.8	0	0	0	112.8	A70 F72 T77 K78	A70-W74 VanDerWaalsContact O-CB 3.27Å; A70-W74 WeakPolarHBondContact O-CB 3.47Å; A70-W74 PolarHBondContact O-N 3.27Å; F72-W74 VanDerWaalsContact C-N 3.28Å; F72-W74 PolarHBondContact O-N 3.02Å; W74-T77 PolarHBondContact O-N 3.08Å; W74-K78 HydrophobicContact CE3-CD 4.25Å; W74-K78 HydrophobicContact CH2-CD 4.06Å; W74-K78 HydrophobicContact CZ3-CD 3.72Å; W74-K78 VanDerWaalsContact O-CB 3.26Å; W74-K78 WeakPolarHBondContact O-CB 3.23Å; W74-K78 PolarHBondContact O-N 3.48Å
75	K	61.6	Low	54.6	Low	117 Å²	117	84.6 Å²	84.6	51%	0.509	48%	0.482	S	S	.	.	H	α-helix	trans	-65.2	-43.1	172.5	-75.7	158.8	-172.9	154	0	111.6	T71 F72 K78 L79	T71-K75 VanDerWaalsContact O-CB 3.27Å; T71-K75 WeakPolarHBondContact O-CB 3.46Å; T71-K75 VanDerWaalsContact O-CD 3.24Å; T71-K75 WeakPolarHBondContact O-CD 3.45Å; T71-K75 WeakPolarHBondContact O-CG 3.32Å; T71-K75 PolarHBondContact O-N 3.01Å; T71-K75 PolarHBondContact OG1-NZ 3.15Å; F72-K75 CarbonylContact O-C 3.6Å; F72-K75 WeakPolarHBondContact O-CB 3.43Å; F72-K75 PolarHBondContact O-N 3.07Å; F72-K75 VanDerWaalsContact O-N 3.08Å; K75-K78 CarbonylContact O-C 3.53Å; K75-K78 WeakPolarHBondContact O-CB 3.45Å; K75-K78 PolarHBondContact O-N 3.01Å; K75-L79 PolarHBondContact O-N 3.4Å
76	L	58.4	Low	55.3	Low	55 Å²	55	91.8 Å²	91.8	29%	0.288	49%	0.493	S	S	.	.	H	α-helix	trans	-60.4	-45.3	172.8	-69.1	178.2	0	0	0	111.2	F72 I73 K78 L79 G80 F107	F72-L76 HydrophobicContact CD1-CD1 3.88Å; F72-L76 HydrophobicContact CD1-CG 4.32Å; F72-L76 HydrophobicContact CE1-CD1 3.56Å; F72-L76 HydrophobicContact CE1-CD2 4.4Å; F72-L76 HydrophobicContact CE1-CG 4.11Å; F72-L76 HydrophobicContact CE2-CD2 4.22Å; F72-L76 HydrophobicContact CE2-CG 4.33Å; F72-L76 HydrophobicContact CZ-CD1 3.99Å; F72-L76 HydrophobicContact CZ-CD2 3.97Å; F72-L76 HydrophobicContact CZ-CG 4.11Å; F72-L76 WeakPolarHBondContact O-CG 3.36Å; F72-L76 PolarHBondContact O-N 2.81Å; I73-L76 PolarHBondContact O-N 3.38Å; L76-K78 VanDerWaalsContact C-N 3.28Å; L76-K78 PolarHBondContact O-N 2.94Å; L76-L79 WeakPolarHBondContact O-CB 3.42Å; L76-L79 PolarHBondContact O-N 3.23Å; L76-L79 VanDerWaalsContact O-N 3.16Å; L76-G80 PolarHBondContact O-N 2.89Å; L76-F107 HydrophobicContact CB-CE1 4.17Å; L76-F107 HydrophobicContact CD2-CE1 3.78Å; L76-F107 HydrophobicContact CD2-CZ 3.56Å
77	T	56.5	Low	55.9	Low	63 Å²	63	93.6 Å²	93.6	39%	0.387	49%	0.488	S	S	.	.	H	α-helix	trans	-61.7	-37.7	174.4	-55.1	0	0	0	0	111.2	I73 W74 G80 R81	I73-T77 WeakPolarHBondContact O-CB 3.08Å; I73-T77 PolarHBondContact O-N 3.31Å; I73-T77 PolarHBondContact O-OG1 2.76Å; W74-T77 PolarHBondContact O-N 3.08Å; T77-G80 PolarHBondContact O-N 2.98Å; T77-R81 VanDerWaalsContact O-CG 3.32Å; T77-R81 WeakPolarHBondContact O-CG 3.37Å; T77-R81 PolarHBondContact O-N 3.49Å
78	K	57.6	Low	56.8	Low	112 Å²	112	92.4 Å²	92.4	49%	0.487	47%	0.469	S	S	.	.	H	α-helix	trans	-69.9	-33.6	175.5	-166.2	172.7	-176.7	176.4	0	112.3	W74 K75 L76 R81 I82	W74-K78 HydrophobicContact CE3-CD 4.25Å; W74-K78 HydrophobicContact CH2-CD 4.06Å; W74-K78 HydrophobicContact CZ3-CD 3.72Å; W74-K78 VanDerWaalsContact O-CB 3.26Å; W74-K78 WeakPolarHBondContact O-CB 3.23Å; W74-K78 PolarHBondContact O-N 3.48Å; K75-K78 CarbonylContact O-C 3.53Å; K75-K78 WeakPolarHBondContact O-CB 3.45Å; K75-K78 PolarHBondContact O-N 3.01Å; L76-K78 VanDerWaalsContact C-N 3.28Å; L76-K78 PolarHBondContact O-N 2.94Å; K78-R81 CarbonylContact O-C 3.59Å; K78-R81 WeakPolarHBondContact O-CA 3.44Å; K78-R81 WeakPolarHBondContact O-CB 3.44Å; K78-R81 PolarHBondContact O-N 3.32Å; K78-I82 PolarHBondContact O-N 3.09Å
79	L	57.4	Low	57.6	Low	95 Å²	95	90.8 Å²	90.8	50%	0.497	46%	0.459	S	S	.	.	H	α-helix	trans	-63.5	-46.1	169.1	-92	146.3	0	0	0	111.3	K75 L76 R81 I82 F107	K75-L79 PolarHBondContact O-N 3.4Å; L76-L79 WeakPolarHBondContact O-CB 3.42Å; L76-L79 PolarHBondContact O-N 3.23Å; L76-L79 VanDerWaalsContact O-N 3.16Å; L79-R81 PolarHBondContact O-N 3.23Å; L79-I82 HydrophobicContact CD2-CD1 4.02Å; L79-I82 HydrophobicContact CG-CD1 4.36Å; L79-I82 VanDerWaalsContact O-CB 3.26Å; L79-I82 WeakPolarHBondContact O-CB 3.2Å; L79-I82 PolarHBondContact O-N 3.2Å; L79-F107 HydrophobicContact CB-CZ 4.4Å
80	G	51	Low	58.6	Low	23 Å²	23	87 Å²	87	24%	0.237	44%	0.439	C	S	.	.	H	α-helix	trans	-57	-37.5	169.8	0	0	0	0	0	112.7	L76 T77 I82 G83	L76-G80 PolarHBondContact O-N 2.89Å; T77-G80 PolarHBondContact O-N 2.98Å; G80-I82 VanDerWaalsContact C-N 3.27Å; G80-I82 PolarHBondContact O-N 3.05Å; G80-G83 PolarHBondContact O-N 3.41Å
81	R	50.6	Low	59.6	Low	123 Å²	123	83.8 Å²	83.8	46%	0.464	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-69.9	-11.5	173.9	-69.1	169.8	-176.5	154.3	0.9	114.7	T77 K78 L79 G83 S84 S85	T77-R81 VanDerWaalsContact O-CG 3.32Å; T77-R81 WeakPolarHBondContact O-CG 3.37Å; T77-R81 PolarHBondContact O-N 3.49Å; K78-R81 CarbonylContact O-C 3.59Å; K78-R81 WeakPolarHBondContact O-CA 3.44Å; K78-R81 WeakPolarHBondContact O-CB 3.44Å; K78-R81 PolarHBondContact O-N 3.32Å; L79-R81 PolarHBondContact O-N 3.23Å; R81-G83 PolarHBondContact O-N 2.99Å; R81-S84 PolarHBondContact O-N 2.81Å; R81-S84 VanDerWaalsContact O-N 3.08Å; R81-S85 VanDerWaalsContact O-CB 3.32Å; R81-S85 WeakPolarHBondContact O-CB 3.27Å; R81-S85 PolarHBondContact O-N 3.36Å; R81-S85 PolarHBondContact O-OG 3.48Å
82	I	53	Low	60.3	Low	116 Å²	116	82.2 Å²	82.2	60%	0.595	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-65.2	-27.9	170.9	-63.9	177.4	0	0	0	110.8	K78 L79 G80	K78-I82 PolarHBondContact O-N 3.09Å; L79-I82 HydrophobicContact CD2-CD1 4.02Å; L79-I82 HydrophobicContact CG-CD1 4.36Å; L79-I82 VanDerWaalsContact O-CB 3.26Å; L79-I82 WeakPolarHBondContact O-CB 3.2Å; L79-I82 PolarHBondContact O-N 3.2Å; G80-I82 VanDerWaalsContact C-N 3.27Å; G80-I82 PolarHBondContact O-N 3.05Å
83	G	47.4	Very low	61.3	Low	28 Å²	28	82.7 Å²	82.7	29%	0.289	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-81.9	-15.4	170.5	0	0	0	0	0	115.4	G80 R81	G80-G83 PolarHBondContact O-N 3.41Å; R81-G83 PolarHBondContact O-N 2.99Å
84	S	47.5	Very low	62.7	Low	58 Å²	58	78.5 Å²	78.5	41%	0.406	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.3	-23.1	-156	-154	0	0	0	0	116.4	R81 R86 Q100	R81-S84 PolarHBondContact O-N 2.81Å; R81-S84 VanDerWaalsContact O-N 3.08Å; S84-R86 VanDerWaalsContact C-N 3.26Å; S84-R86 PolarHBondContact O-N 2.9Å; S84-Q100 PolarHBondContact OG-NE2 3.41Å
85	S	45.3	Very low	64.3	Low	96 Å²	96	71.9 Å²	71.9	67%	0.671	36%	0.358	S	S	*	.	S	Bend	trans	-69.3	-4.5	-164	49.2	0	0	0	0	117.8	R81	R81-S85 VanDerWaalsContact O-CB 3.32Å; R81-S85 WeakPolarHBondContact O-CB 3.27Å; R81-S85 PolarHBondContact O-N 3.36Å; R81-S85 PolarHBondContact O-OG 3.48Å
86	R	52.2	Low	65.7	Low	204 Å²	204	67.8 Å²	67.8	77%	0.77	34%	0.339	S	S	*	.	S	Bend	trans	-142.6	123.7	157.3	-70.8	-169.1	-179.5	-174.2	-1.2	107.6	S84 R88	S84-R86 VanDerWaalsContact C-N 3.26Å; S84-R86 PolarHBondContact O-N 2.9Å; R86-R88 WeakPolarHBondContact O-CG 3.34Å; R86-R88 PolarHBondContact O-N 2.77Å; R86-R88 VanDerWaalsContact O-N 3.11Å
87	L	55.3	Low	67.3	Low	96 Å²	96	65.8 Å²	65.8	50%	0.503	33%	0.328	S	S	.	.			trans	-58	116.1	174.1	-172.7	65.4	0	0	0	108.3	F89	L87-F89 HydrophobicContact CB-CZ 4.42Å; L87-F89 HydrophobicContact CD2-CE1 3.82Å; L87-F89 HydrophobicContact CD2-CZ 4.34Å; L87-F89 HydrophobicContact CG-CE1 4.17Å; L87-F89 WeakPolarHBondContact O-CE2 3.49Å
88	R	64.4	Low	69	Low	111 Å²	111	62.8 Å²	62.8	42%	0.419	31%	0.31	S	S	.	.			trans	-93.3	115.2	-177.2	-67.2	-161.6	-175.2	152	7.6	109.6	R86 D90 R96	R86-R88 WeakPolarHBondContact O-CG 3.34Å; R86-R88 PolarHBondContact O-N 2.77Å; R86-R88 VanDerWaalsContact O-N 3.11Å; R88-D90 WeakPolarHBondContact CB-OD1 3.45Å; R88-D90 PolarHBondContact O-N 2.81Å; R88-R96 PolarHBondContact O-NH2 3.03Å
89	F	73.3	Confident	70.5	Confident	49 Å²	49	58 Å²	58	22%	0.215	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	7	-171.3	-61	-68.6	0	0	0	114	L87 L207 C211 N637	L87-F89 HydrophobicContact CB-CZ 4.42Å; L87-F89 HydrophobicContact CD2-CE1 3.82Å; L87-F89 HydrophobicContact CD2-CZ 4.34Å; L87-F89 HydrophobicContact CG-CE1 4.17Å; L87-F89 WeakPolarHBondContact O-CE2 3.49Å; F89-L207 HydrophobicContact CB-CB 4.13Å; F89-L207 WeakPolarHBondContact O-CD1 3.26Å; F89-C211 HydrophobicContact CD2-CB 4.13Å; F89-C211 HydrophobicContact CE2-CB 3.93Å; F89-C211 VanDerWaalsContact CE2-SG 3.53Å; F89-C211 HydrophobicContact CZ-CB 4.39Å; F89-C211 WeakPolarHBondContact CZ-SG 3.22Å; F89-N637 HydrophobicContact CB-CB 3.87Å; F89-N637 HydrophobicContact CD1-CB 4.04Å; F89-N637 WeakPolarHBondContact CD1-O 3.45Å; F89-N637 HydrophobicContact CG-CB 4.43Å; F89-N637 WeakPolarHBondContact O-CB 3.39Å; F89-N637 PolarHBondContact O-ND2 3.02Å; F89-N637 VanDerWaalsContact O-ND2 3.13Å
90	D	80.3	Confident	71.9	Confident	6 Å²	6	54.6 Å²	54.6	3%	0.032	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-1.1	179.4	57	-55	0	0	0	115.3	R88 W192 V203 L207	R88-D90 WeakPolarHBondContact CB-OD1 3.45Å; R88-D90 PolarHBondContact O-N 2.81Å; D90-W192 PolarHBondContact OD2-NE1 3.1Å; D90-V203 HydrophobicContact CB-CG1 4.3Å; D90-L207 HydrophobicContact CB-CD1 3.64Å
91	D	82.7	Confident	73.7	Confident	4 Å²	4	59 Å²	59	2%	0.021	28%	0.281	C	S	.	.	S	Bend	trans	-116.6	148.5	-176.5	-63.7	-53.8	0	0	0	111.7	D95 R96 Y99 R193	D91-D95 HydrophobicContact CB-CB 4.27Å; D91-R96 HydrophobicContact CB-CG 4.09Å; D91-R96 PolarHBondContact O-NH2 3.11Å; D91-Y99 HydrophobicContact CB-CE1 4.34Å; D91-Y99 PolarHBondContact OD2-OH 3.44Å; D91-Y99 VanDerWaalsContact OD2-OH 3.1Å; D91-R193 IonicContact OD2-CZ 3.7Å; D91-R193 IonicContact OD2-NH2 2.69Å; D91-R193 PolarHBondContact OD2-NH2 3.28Å
92	D	86.3	Confident	75.7	Confident	29 Å²	29	53.2 Å²	53.2	16%	0.155	26%	0.259	C	S	.	.			trans	-81.5	163.8	170	-171.1	8.8	0	0	0	111.3	A94 D95 R96 Y478 K482 S579 W583	D92-A94 VanDerWaalsContact C-N 3.29Å; D92-A94 PolarHBondContact O-N 2.94Å; D92-D95 WeakPolarHBondContact CB-OD2 3.44Å; D92-D95 PolarHBondContact N-OD2 3.19Å; D92-D95 VanDerWaalsContact N-OD2 3.09Å; D92-D95 WeakPolarHBondContact O-CB 3.3Å; D92-D95 PolarHBondContact O-N 3.01Å; D92-R96 PolarHBondContact O-N 3.4Å; D92-Y478 WeakPolarHBondContact CB-OH 3.48Å; D92-K482 IonicContact OD2-NZ 2.78Å; D92-S579 PolarHBondContact OD2-OG 3.26Å; D92-W583 PolarHBondContact OD2-NE1 3.2Å
93	F	87.9	Confident	77.4	Confident	117 Å²	117	48.5 Å²	48.5	51%	0.513	24%	0.239	S	C	.	.	H	α-helix	trans	-56.7	-43.1	177.5	176.3	-100.4	0	0	0	112.1	D95 R96 L97	F93-D95 VanDerWaalsContact C-N 3.29Å; F93-D95 PolarHBondContact O-N 2.65Å; F93-R96 PolarHBondContact O-N 2.9Å; F93-L97 PolarHBondContact O-N 3.27Å
94	A	91.6	Very high	79.4	Confident	4 Å²	4	50.4 Å²	50.4	3%	0.033	25%	0.245	C	C	.	.	H	α-helix	trans	-63.9	-31.5	176.3	0	0	0	0	0	113.2	D92 N98 I575 S579	D92-A94 VanDerWaalsContact C-N 3.29Å; D92-A94 PolarHBondContact O-N 2.94Å; A94-N98 PolarHBondContact O-ND2 3.35Å; A94-I575 HydrophobicContact CB-CG2 3.93Å; A94-S579 VanDerWaalsContact CB-CB 3.49Å
95	D	90.7	Very high	81.5	Confident	4 Å²	4	49.2 Å²	49.2	2%	0.021	23%	0.234	C	C	.	.	H	α-helix	trans	-72.6	-43.2	177.2	-56.4	-40.5	0	0	0	110.1	D91 D92 F93 L97 N98 Y99 Y478 K482 Y485	D91-D95 HydrophobicContact CB-CB 4.27Å; D92-D95 WeakPolarHBondContact CB-OD2 3.44Å; D92-D95 PolarHBondContact N-OD2 3.19Å; D92-D95 VanDerWaalsContact N-OD2 3.09Å; D92-D95 WeakPolarHBondContact O-CB 3.3Å; D92-D95 PolarHBondContact O-N 3.01Å; F93-D95 VanDerWaalsContact C-N 3.29Å; F93-D95 PolarHBondContact O-N 2.65Å; D95-L97 VanDerWaalsContact C-N 3.32Å; D95-L97 PolarHBondContact O-N 2.91Å; D95-N98 WeakPolarHBondContact O-CB 3.33Å; D95-N98 PolarHBondContact O-N 3.07Å; D95-Y99 WeakPolarHBondContact O-CD1 3.4Å; D95-Y99 PolarHBondContact O-N 3.3Å; D95-Y478 PolarHBondContact OD2-OH 3.06Å; D95-K482 IonicContact OD1-NZ 2.71Å; D95-K482 PolarHBondContact OD1-NZ 3.25Å; D95-K482 IonicContact OD2-NZ 3.75Å; D95-K482 PolarHBondContact OD2-NZ 3.03Å; D95-Y485 HydrophobicContact CB-CE2 3.93Å
96	R	90	Very high	83.7	Confident	30 Å²	30	44.7 Å²	44.7	11%	0.113	20%	0.202	C	C	.	.	H	α-helix	trans	-59.7	-41.4	173.1	-64.6	175.9	-175.5	144	6.9	111.7	R88 D91 D92 F93 N98 Y99 Q100 Y101 N637	R88-R96 PolarHBondContact O-NH2 3.03Å; D91-R96 HydrophobicContact CB-CG 4.09Å; D91-R96 PolarHBondContact O-NH2 3.11Å; D92-R96 PolarHBondContact O-N 3.4Å; F93-R96 PolarHBondContact O-N 2.9Å; R96-N98 PolarHBondContact O-N 2.99Å; R96-N98 VanDerWaalsContact O-N 3.17Å; R96-Y99 HydrophobicContact CG-CE1 4.29Å; R96-Q100 WeakPolarHBondContact O-CA 3.2Å; R96-Q100 VanDerWaalsContact O-CB 3.23Å; R96-Q100 WeakPolarHBondContact O-CB 3.5Å; R96-Q100 PolarHBondContact O-N 3.07Å; R96-Y101 HydrophobicContact CB-CD2 4.46Å; R96-Y101 HydrophobicContact CB-CE2 4.25Å; R96-Y101 PolarHBondContact O-N 2.81Å; R96-N637 PolarHBondContact NH2-OD1 2.95Å
97	L	91.4	Very high	85.4	Confident	13 Å²	13	39.1 Å²	39.1	7%	0.068	18%	0.184	C	C	.	.	I	π-helix	trans	-55.1	-33.9	178.3	-170.7	66.4	0	0	0	112.5	F93 D95 Y101 T102 W568 V572 I575	F93-L97 PolarHBondContact O-N 3.27Å; D95-L97 VanDerWaalsContact C-N 3.32Å; D95-L97 PolarHBondContact O-N 2.91Å; L97-Y101 HydrophobicContact CD1-CG 4.42Å; L97-T102 PolarHBondContact O-N 3.32Å; L97-T102 PolarHBondContact O-OG1 3.07Å; L97-W568 HydrophobicContact CD1-CH2 4.21Å; L97-W568 HydrophobicContact CD1-CZ2 3.99Å; L97-V572 HydrophobicContact CD2-CB 4.4Å; L97-V572 HydrophobicContact CD2-CG1 4.29Å; L97-V572 HydrophobicContact CD2-CG2 3.92Å; L97-V572 HydrophobicContact CG-CG1 4.36Å; L97-V572 HydrophobicContact CG-CG2 3.95Å; L97-I575 HydrophobicContact CD2-CB 4.16Å; L97-I575 HydrophobicContact CD2-CD1 3.7Å; L97-I575 HydrophobicContact CD2-CG2 3.89Å
98	N	92.4	Very high	87.1	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.185	C	C	.	.	I	π-helix	trans	-73.6	-75.1	174.5	-77.6	-101.5	0	0	0	111.6	A94 D95 R96 Q100 T102 F185 Y485 V572 T576	A94-N98 PolarHBondContact O-ND2 3.35Å; D95-N98 WeakPolarHBondContact O-CB 3.33Å; D95-N98 PolarHBondContact O-N 3.07Å; R96-N98 PolarHBondContact O-N 2.99Å; R96-N98 VanDerWaalsContact O-N 3.17Å; N98-Q100 VanDerWaalsContact C-N 3.33Å; N98-Q100 PolarHBondContact O-N 2.96Å; N98-T102 VanDerWaalsContact O-CB 3.31Å; N98-T102 WeakPolarHBondContact O-CB 3.45Å; N98-F185 HydrophobicContact CB-CD1 4.09Å; N98-F185 WeakPolarHBondContact OD1-CE1 3.38Å; N98-Y485 HydrophobicContact CB-CD1 3.55Å; N98-Y485 HydrophobicContact CB-CE1 3.52Å; N98-Y485 HydrophobicContact CB-CG 4.31Å; N98-V572 WeakPolarHBondContact ND2-CG1 3.33Å; N98-T576 WeakPolarHBondContact ND2-CG2 3.44Å
99	Y	89	Confident	88.5	Confident	13 Å²	13	35.5 Å²	35.5	5%	0.051	17%	0.172	C	C	.	.	I	π-helix	trans	-73.8	-23.9	-165.5	79.8	-100.3	0	0	0	113.7	D91 D95 R96 Y186 C189 R193 Y485	D91-Y99 HydrophobicContact CB-CE1 4.34Å; D91-Y99 PolarHBondContact OD2-OH 3.44Å; D91-Y99 VanDerWaalsContact OD2-OH 3.1Å; D95-Y99 WeakPolarHBondContact O-CD1 3.4Å; D95-Y99 PolarHBondContact O-N 3.3Å; R96-Y99 HydrophobicContact CG-CE1 4.29Å; Y99-Y186 HydrophobicContact CD2-CD2 4.45Å; Y99-Y186 HydrophobicContact CD2-CE2 4.43Å; Y99-C189 HydrophobicContact CD1-CB 3.87Å; Y99-C189 WeakPolarHBondContact CD1-SG 3.25Å; Y99-C189 HydrophobicContact CD2-CB 4.49Å; Y99-C189 VanDerWaalsContact CE1-SG 3.59Å; Y99-C189 HydrophobicContact CG-CB 3.79Å; Y99-C189 VanDerWaalsContact CG-SG 3.57Å; Y99-R193 PolarHBondContact OH-NH2 3.09Å; Y99-Y485 WeakPolarHBondContact CD1-OH 3.38Å
100	Q	87	Confident	89.4	Confident	22 Å²	22	34.9 Å²	34.9	10%	0.103	17%	0.17	C	C	.	.	I	π-helix	trans	-101.9	-62.1	-174.6	-169.5	179.9	-9.5	0	0	111	S84 R96 N98 V104	S84-Q100 PolarHBondContact OG-NE2 3.41Å; R96-Q100 WeakPolarHBondContact O-CA 3.2Å; R96-Q100 VanDerWaalsContact O-CB 3.23Å; R96-Q100 WeakPolarHBondContact O-CB 3.5Å; R96-Q100 PolarHBondContact O-N 3.07Å; N98-Q100 VanDerWaalsContact C-N 3.33Å; N98-Q100 PolarHBondContact O-N 2.96Å; Q100-V104 WeakPolarHBondContact O-CB 3.44Å; Q100-V104 VanDerWaalsContact O-CG2 3.29Å; Q100-V104 WeakPolarHBondContact O-CG2 3.39Å; Q100-V104 PolarHBondContact O-N 3.29Å
101	Y	90.2	Very high	89.9	Confident	117 Å²	117	36.3 Å²	36.3	46%	0.459	19%	0.186	S	C	.	.	I	π-helix	trans	-71.2	-49.2	-174.2	-67.7	-93.6	0	0	0	112	R96 L97 G103 V104 L105	R96-Y101 HydrophobicContact CB-CD2 4.46Å; R96-Y101 HydrophobicContact CB-CE2 4.25Å; R96-Y101 PolarHBondContact O-N 2.81Å; L97-Y101 HydrophobicContact CD1-CG 4.42Å; Y101-G103 VanDerWaalsContact C-N 3.32Å; Y101-G103 PolarHBondContact O-N 3.41Å; Y101-V104 PolarHBondContact O-N 2.89Å; Y101-L105 WeakPolarHBondContact O-CB 3.41Å; Y101-L105 PolarHBondContact O-N 2.78Å
102	T	92.7	Very high	90.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.206	C	C	.	.	I	π-helix	trans	-65.8	-36.2	176.8	-50.1	0	0	0	0	111.4	L97 N98 L105 M106 F185 W568	L97-T102 PolarHBondContact O-N 3.32Å; L97-T102 PolarHBondContact O-OG1 3.07Å; N98-T102 VanDerWaalsContact O-CB 3.31Å; N98-T102 WeakPolarHBondContact O-CB 3.45Å; T102-L105 PolarHBondContact O-N 2.69Å; T102-M106 HydrophobicContact CG2-CE 4.11Å; T102-M106 HydrophobicContact CG2-CG 4.47Å; T102-M106 VanDerWaalsContact O-CG 3.28Å; T102-M106 WeakPolarHBondContact O-CG 3.28Å; T102-M106 PolarHBondContact O-N 3.19Å; T102-F185 HydrophobicContact CG2-CD1 4.4Å; T102-F185 HydrophobicContact CG2-CD2 3.91Å; T102-F185 HydrophobicContact CG2-CE1 4.17Å; T102-F185 HydrophobicContact CG2-CE2 3.63Å; T102-F185 HydrophobicContact CG2-CG 4.28Å; T102-F185 HydrophobicContact CG2-CZ 3.78Å; T102-W568 PolarHBondContact OG1-NE1 2.97Å
103	G	88.8	Confident	90.5	Very high	18 Å²	18	38.8 Å²	38.8	19%	0.186	20%	0.199	C	C	.	.	H	α-helix	trans	-60.8	-45.2	173.3	0	0	0	0	0	113.8	Y101 F107	Y101-G103 VanDerWaalsContact C-N 3.32Å; Y101-G103 PolarHBondContact O-N 3.41Å; G103-F107 PolarHBondContact O-N 3.09Å; G103-F107 VanDerWaalsContact O-N 3.13Å
104	V	88	Confident	90.6	Very high	68 Å²	68	33.9 Å²	33.9	41%	0.412	18%	0.181	S	C	.	.	H	α-helix	trans	-66.2	-40	175.4	167.7	0	0	0	0	111.5	Q100 Y101 F107 L108	Q100-V104 WeakPolarHBondContact O-CB 3.44Å; Q100-V104 VanDerWaalsContact O-CG2 3.29Å; Q100-V104 WeakPolarHBondContact O-CG2 3.39Å; Q100-V104 PolarHBondContact O-N 3.29Å; Y101-V104 PolarHBondContact O-N 2.89Å; V104-F107 PolarHBondContact O-N 2.96Å; V104-L108 PolarHBondContact O-N 3.02Å
105	L	92	Very high	90.4	Very high	33 Å²	33	36.9 Å²	36.9	17%	0.173	20%	0.196	C	C	.	.	H	α-helix	trans	-61.2	-47.2	177.3	179.9	65.4	0	0	0	112	Y101 T102 F107 L108 F109 F564 L565 W568	Y101-L105 WeakPolarHBondContact O-CB 3.41Å; Y101-L105 PolarHBondContact O-N 2.78Å; T102-L105 PolarHBondContact O-N 2.69Å; L105-F107 VanDerWaalsContact C-N 3.34Å; L105-F107 PolarHBondContact O-N 3.02Å; L105-L108 WeakPolarHBondContact O-CB 3.36Å; L105-L108 PolarHBondContact O-N 3.29Å; L105-F109 HydrophobicContact CD1-CD2 4.21Å; L105-F109 HydrophobicContact CD1-CE2 3.51Å; L105-F109 HydrophobicContact CD1-CZ 4.01Å; L105-F109 HydrophobicContact CD2-CE2 4.36Å; L105-F109 HydrophobicContact CG-CD2 4.11Å; L105-F109 HydrophobicContact CG-CE2 3.68Å; L105-F109 WeakPolarHBondContact O-CD2 3.28Å; L105-F109 PolarHBondContact O-N 3.16Å; L105-F109 VanDerWaalsContact O-N 3.12Å; L105-F564 HydrophobicContact CD1-CE1 4.07Å; L105-F564 HydrophobicContact CD2-CE1 4.04Å; L105-L565 HydrophobicContact CD2-CD2 4.17Å; L105-L565 HydrophobicContact CG-CD2 4.45Å; L105-W568 HydrophobicContact CD2-CD2 3.57Å; L105-W568 HydrophobicContact CD2-CE3 4.19Å; L105-W568 HydrophobicContact CD2-CG 3.72Å; L105-W568 HydrophobicContact CD2-CZ2 4.14Å
106	M	91.7	Very high	90.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.1	-43.8	174.8	-68.8	-62	174.5	0	0	111.7	T102 L108 F109 I110 M178 A182 F185 L565 H569	T102-M106 HydrophobicContact CG2-CE 4.11Å; T102-M106 HydrophobicContact CG2-CG 4.47Å; T102-M106 VanDerWaalsContact O-CG 3.28Å; T102-M106 WeakPolarHBondContact O-CG 3.28Å; T102-M106 PolarHBondContact O-N 3.19Å; M106-L108 VanDerWaalsContact C-N 3.25Å; M106-L108 PolarHBondContact O-N 2.7Å; M106-F109 PolarHBondContact O-N 2.99Å; M106-F109 VanDerWaalsContact O-N 3.17Å; M106-I110 WeakPolarHBondContact O-CD1 3.35Å; M106-I110 VanDerWaalsContact O-CG1 3.25Å; M106-I110 WeakPolarHBondContact O-CG1 3.3Å; M106-I110 PolarHBondContact O-N 2.95Å; M106-M178 HydrophobicContact CB-CG 4.46Å; M106-M178 HydrophobicContact SD-CG 3.73Å; M106-M178 HydrophobicContact SD-SD 4.31Å; M106-A182 HydrophobicContact CB-CB 3.73Å; M106-A182 HydrophobicContact CG-CB 4.22Å; M106-F185 HydrophobicContact CE-CE2 4.37Å; M106-L565 HydrophobicContact CE-CD1 3.97Å; M106-L565 HydrophobicContact CE-CD2 3.6Å; M106-L565 HydrophobicContact CE-CG 4.33Å; M106-L565 HydrophobicContact SD-CD1 3.79Å; M106-L565 HydrophobicContact SD-CD2 3.93Å; M106-H569 VanDerWaalsContact CE-CE1 3.43Å; M106-H569 WeakPolarHBondContact CE-CE1 3.47Å
107	F	88.8	Confident	90.1	Very high	87 Å²	87	42.4 Å²	42.4	38%	0.382	22%	0.218	S	C	.	.	H	α-helix	trans	-60.8	-35.6	178.2	-166	-105.9	0	0	0	112.5	L76 L79 G103 V104 L105 G111	L76-F107 HydrophobicContact CB-CE1 4.17Å; L76-F107 HydrophobicContact CD2-CE1 3.78Å; L76-F107 HydrophobicContact CD2-CZ 3.56Å; L79-F107 HydrophobicContact CB-CZ 4.4Å; G103-F107 PolarHBondContact O-N 3.09Å; G103-F107 VanDerWaalsContact O-N 3.13Å; V104-F107 PolarHBondContact O-N 2.96Å; L105-F107 VanDerWaalsContact C-N 3.34Å; L105-F107 PolarHBondContact O-N 3.02Å; F107-G111 PolarHBondContact O-N 3.47Å; F107-G111 VanDerWaalsContact O-N 3.1Å
108	L	90.8	Very high	89.8	Confident	103 Å²	103	50.6 Å²	50.6	54%	0.539	25%	0.249	S	C	.	.	H	α-helix	trans	-65.4	-45.7	174.1	-127.6	173.8	0	0	0	111.7	V104 L105 M106 G111 L112	V104-L108 PolarHBondContact O-N 3.02Å; L105-L108 WeakPolarHBondContact O-CB 3.36Å; L105-L108 PolarHBondContact O-N 3.29Å; M106-L108 VanDerWaalsContact C-N 3.25Å; M106-L108 PolarHBondContact O-N 2.7Å; L108-G111 PolarHBondContact O-N 2.82Å; L108-L112 HydrophobicContact CD2-CD1 4.31Å; L108-L112 HydrophobicContact CD2-CG 4.43Å; L108-L112 WeakPolarHBondContact O-CG 3.42Å; L108-L112 PolarHBondContact O-N 2.92Å
109	F	93.3	Very high	89.5	Confident	29 Å²	29	55.1 Å²	55.1	13%	0.127	28%	0.276	C	S	.	.	H	α-helix	trans	-67.8	-38.6	177.4	-70.4	-52.2	0	0	0	113.4	L105 M106 G111 L112 I113 M178 I561 F564 L565	L105-F109 HydrophobicContact CD1-CD2 4.21Å; L105-F109 HydrophobicContact CD1-CE2 3.51Å; L105-F109 HydrophobicContact CD1-CZ 4.01Å; L105-F109 HydrophobicContact CD2-CE2 4.36Å; L105-F109 HydrophobicContact CG-CD2 4.11Å; L105-F109 HydrophobicContact CG-CE2 3.68Å; L105-F109 WeakPolarHBondContact O-CD2 3.28Å; L105-F109 PolarHBondContact O-N 3.16Å; L105-F109 VanDerWaalsContact O-N 3.12Å; M106-F109 PolarHBondContact O-N 2.99Å; M106-F109 VanDerWaalsContact O-N 3.17Å; F109-G111 VanDerWaalsContact C-N 3.26Å; F109-G111 PolarHBondContact O-N 3.1Å; F109-L112 HydrophobicContact CD1-CD1 4.07Å; F109-L112 HydrophobicContact CE1-CD1 4.5Å; F109-L112 PolarHBondContact O-N 2.99Å; F109-I113 VanDerWaalsContact O-CG1 3.28Å; F109-I113 WeakPolarHBondContact O-CG1 3.17Å; F109-I113 PolarHBondContact O-N 3.48Å; F109-M178 HydrophobicContact CB-CE 4.41Å; F109-M178 HydrophobicContact CB-SD 3.49Å; F109-M178 WeakPolarHBondContact CB-SD 3.37Å; F109-I561 HydrophobicContact CB-CG2 4.01Å; F109-I561 HydrophobicContact CD1-CB 4.39Å; F109-I561 HydrophobicContact CD1-CD1 3.87Å; F109-I561 HydrophobicContact CD1-CG1 3.71Å; F109-I561 HydrophobicContact CD1-CG2 3.84Å; F109-I561 HydrophobicContact CD2-CG2 4.07Å; F109-I561 HydrophobicContact CE1-CG1 3.98Å; F109-I561 HydrophobicContact CE1-CG2 4.32Å; F109-I561 HydrophobicContact CG-CG1 4.44Å; F109-I561 HydrophobicContact CG-CG2 3.72Å; F109-F564 AromaticContact CE2-CD1 3.71Å; F109-F564 HydrophobicContact CE2-CD1 3.71Å; F109-F564 AromaticContact CE2-CE1 3.77Å; F109-F564 HydrophobicContact CE2-CE1 3.77Å; F109-F564 AromaticContact CZ-CD1 3.47Å; F109-F564 HydrophobicContact CZ-CD1 3.47Å; F109-F564 VanDerWaalsContact CZ-CD1 3.47Å; F109-F564 AromaticContact CZ-CE1 3.65Å; F109-F564 HydrophobicContact CZ-CE1 3.65Å; F109-F564 HydrophobicContact CZ-CG 4.43Å; F109-L565 HydrophobicContact CD2-CD1 4.2Å; F109-L565 HydrophobicContact CD2-CD2 3.82Å; F109-L565 HydrophobicContact CD2-CG 4.11Å; F109-L565 HydrophobicContact CE2-CD2 3.64Å; F109-L565 HydrophobicContact CE2-CG 4.02Å
110	I	92.3	Very high	89.2	Confident	36 Å²	36	56.2 Å²	56.2	19%	0.185	29%	0.292	C	S	.	.	H	α-helix	trans	-57.6	-42.1	171.6	-66.5	160.2	0	0	0	110.2	M106 G114 M178 A179	M106-I110 WeakPolarHBondContact O-CD1 3.35Å; M106-I110 VanDerWaalsContact O-CG1 3.25Å; M106-I110 WeakPolarHBondContact O-CG1 3.3Å; M106-I110 PolarHBondContact O-N 2.95Å; I110-G114 PolarHBondContact O-N 3.47Å; I110-M178 HydrophobicContact CD1-CB 4.32Å; I110-M178 HydrophobicContact CD1-CG 4.16Å; I110-M178 HydrophobicContact CG1-CB 3.86Å; I110-M178 HydrophobicContact CG1-CG 3.73Å; I110-M178 HydrophobicContact CG1-SD 3.88Å; I110-A179 HydrophobicContact CD1-CB 4Å
111	G	90	Very high	89.1	Confident	35 Å²	35	59.4 Å²	59.4	36%	0.361	31%	0.305	S	S	.	.	H	α-helix	trans	-61.7	-47.1	174	0	0	0	0	0	113.2	F107 L108 F109 G114 I115	F107-G111 PolarHBondContact O-N 3.47Å; F107-G111 VanDerWaalsContact O-N 3.1Å; L108-G111 PolarHBondContact O-N 2.82Å; F109-G111 VanDerWaalsContact C-N 3.26Å; F109-G111 PolarHBondContact O-N 3.1Å; G111-G114 PolarHBondContact O-N 3.31Å; G111-I115 VanDerWaalsContact O-CG1 3.31Å; G111-I115 WeakPolarHBondContact O-CG1 3.22Å; G111-I115 PolarHBondContact O-N 3.49Å
112	L	90.4	Very high	89	Confident	85 Å²	85	55 Å²	55	45%	0.445	29%	0.291	S	S	.	.	H	α-helix	trans	-63.9	-42.3	179.6	-70.8	168.9	0	0	0	113	L108 F109 R116	L108-L112 HydrophobicContact CD2-CD1 4.31Å; L108-L112 HydrophobicContact CD2-CG 4.43Å; L108-L112 WeakPolarHBondContact O-CG 3.42Å; L108-L112 PolarHBondContact O-N 2.92Å; F109-L112 HydrophobicContact CD1-CD1 4.07Å; F109-L112 HydrophobicContact CE1-CD1 4.5Å; F109-L112 PolarHBondContact O-N 2.99Å; L112-R116 PolarHBondContact O-N 3.47Å
113	I	91.2	Very high	89	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-66.3	-44.8	174.9	-63.5	166.2	0	0	0	109.5	F109 I115 R116 Q117 P175 M178 L554 L558 I561	F109-I113 VanDerWaalsContact O-CG1 3.28Å; F109-I113 WeakPolarHBondContact O-CG1 3.17Å; F109-I113 PolarHBondContact O-N 3.48Å; I113-I115 PolarHBondContact O-N 3.37Å; I113-R116 PolarHBondContact O-N 3.11Å; I113-R116 VanDerWaalsContact O-N 3.11Å; I113-Q117 PolarHBondContact O-N 3.34Å; I113-P175 HydrophobicContact CG2-CG 3.91Å; I113-M178 HydrophobicContact CD1-CE 3.63Å; I113-M178 HydrophobicContact CD1-SD 4.06Å; I113-L554 HydrophobicContact CG2-CD1 4.06Å; I113-L558 HydrophobicContact CD1-CD2 3.8Å; I113-L558 HydrophobicContact CG1-CD2 4.21Å; I113-L558 HydrophobicContact CG2-CD2 4.38Å; I113-I561 HydrophobicContact CD1-CD1 3.99Å; I113-I561 HydrophobicContact CG1-CD1 3.74Å
114	G	90.1	Very high	89.2	Confident	14 Å²	14	59 Å²	59	14%	0.144	31%	0.305	C	S	.	.	H	α-helix	trans	-58.6	-42.9	177.8	0	0	0	0	0	113.5	I110 G111 R116 Q117 Y118	I110-G114 PolarHBondContact O-N 3.47Å; G111-G114 PolarHBondContact O-N 3.31Å; G114-R116 VanDerWaalsContact C-N 3.28Å; G114-R116 PolarHBondContact O-N 3.5Å; G114-Q117 PolarHBondContact O-N 3.43Å; G114-Q117 VanDerWaalsContact O-N 3.12Å; G114-Y118 WeakPolarHBondContact O-CB 3.47Å; G114-Y118 VanDerWaalsContact O-CD2 3.25Å; G114-Y118 WeakPolarHBondContact O-CD2 3.3Å; G114-Y118 PolarHBondContact O-N 3.34Å
115	I	88.3	Confident	89.6	Confident	68 Å²	68	56.6 Å²	56.6	35%	0.349	29%	0.291	S	S	.	.	H	α-helix	trans	-58.6	-41.9	175.4	-69.4	163	0	0	0	110.7	M68 G111 I113 Q117 V119 G120	M68-I115 HydrophobicContact CE-CD1 4.08Å; M68-I115 HydrophobicContact CE-CG1 3.99Å; M68-I115 HydrophobicContact SD-CD1 4.44Å; M68-I115 HydrophobicContact SD-CG1 4.17Å; G111-I115 VanDerWaalsContact O-CG1 3.31Å; G111-I115 WeakPolarHBondContact O-CG1 3.22Å; G111-I115 PolarHBondContact O-N 3.49Å; I113-I115 PolarHBondContact O-N 3.37Å; I115-Q117 VanDerWaalsContact C-N 3.34Å; I115-Q117 PolarHBondContact O-N 2.95Å; I115-V119 HydrophobicContact CG2-CB 4.47Å; I115-V119 HydrophobicContact CG2-CG2 4.49Å; I115-V119 VanDerWaalsContact O-CB 3.31Å; I115-V119 WeakPolarHBondContact O-CB 3.47Å; I115-V119 PolarHBondContact O-N 2.85Å; I115-G120 PolarHBondContact O-N 2.91Å
116	R	88.2	Confident	89.7	Confident	122 Å²	122	65.1 Å²	65.1	46%	0.46	32%	0.321	S	S	.	.	H	α-helix	trans	-72.2	-23.4	177.6	-69.3	-63.8	-176.4	138.2	-7.5	114.2	L112 I113 G114 L554 F557	L112-R116 PolarHBondContact O-N 3.47Å; I113-R116 PolarHBondContact O-N 3.11Å; I113-R116 VanDerWaalsContact O-N 3.11Å; G114-R116 VanDerWaalsContact C-N 3.28Å; G114-R116 PolarHBondContact O-N 3.5Å; R116-L554 HydrophobicContact CB-CD1 3.72Å; R116-F557 HydrophobicContact CG-CD2 4.34Å; R116-F557 HydrophobicContact CG-CE2 4.36Å
117	Q	86.6	Confident	89.7	Confident	27 Å²	27	66.6 Å²	66.6	13%	0.126	33%	0.328	C	S	.	.	H	α-helix	trans	-91.1	-28.9	-180	-175.9	173	-6.3	0	0	113.9	I113 G114 I115 W144	I113-Q117 PolarHBondContact O-N 3.34Å; G114-Q117 PolarHBondContact O-N 3.43Å; G114-Q117 VanDerWaalsContact O-N 3.12Å; I115-Q117 VanDerWaalsContact C-N 3.34Å; I115-Q117 PolarHBondContact O-N 2.95Å; Q117-W144 HydrophobicContact CG-CZ2 4.05Å
118	Y	84.8	Confident	89.9	Confident	186 Å²	186	64.6 Å²	64.6	73%	0.729	32%	0.324	S	S	*	.	H	α-helix	trans	-113.4	-19.3	-174.5	-63.5	-68.8	0	0	0	115	G114	G114-Y118 WeakPolarHBondContact O-CB 3.47Å; G114-Y118 VanDerWaalsContact O-CD2 3.25Å; G114-Y118 WeakPolarHBondContact O-CD2 3.3Å; G114-Y118 PolarHBondContact O-N 3.34Å
119	V	85.3	Confident	89.9	Confident	95 Å²	95	69.4 Å²	69.4	58%	0.576	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	-25.2	179.2	-168.7	0	0	0	0	112.1	I115	I115-V119 HydrophobicContact CG2-CB 4.47Å; I115-V119 HydrophobicContact CG2-CG2 4.49Å; I115-V119 VanDerWaalsContact O-CB 3.31Å; I115-V119 WeakPolarHBondContact O-CB 3.47Å; I115-V119 PolarHBondContact O-N 2.85Å
120	G	82.8	Confident	89.7	Confident	36 Å²	36	73.1 Å²	73.1	37%	0.371	36%	0.362	S	S	.	.	S	Bend	trans	-102.2	162.8	171.1	0	0	0	0	0	112.6	I115 P122	I115-G120 PolarHBondContact O-N 2.91Å; G120-P122 WeakPolarHBondContact O-CD 3.49Å
121	K	85.1	Confident	89.5	Confident	89 Å²	89	72.8 Å²	72.8	39%	0.387	36%	0.359	S	S	.	.			trans	-61.6	119.6	161.7	-75	-164.1	176	-162.8	0	108.2	Q124 E136 E140	K121-Q124 HydrophobicContact CB-CG 4.13Å; K121-Q124 HydrophobicContact CD-CG 4.05Å; K121-E136 IonicContact NZ-OE1 2.88Å; K121-E136 PolarHBondContact NZ-OE1 3.27Å; K121-E140 WeakPolarHBondContact CD-OE2 3.31Å; K121-E140 VanDerWaalsContact CE-OE2 3.24Å; K121-E140 WeakPolarHBondContact CE-OE2 3.5Å; K121-E140 IonicContact NZ-OE1 2.7Å; K121-E140 PolarHBondContact NZ-OE1 3.22Å; K121-E140 IonicContact NZ-OE2 3.51Å; K121-E140 PolarHBondContact NZ-OE2 3.4Å
122	P	88.6	Confident	89.7	Confident	24 Å²	24	75.6 Å²	75.6	16%	0.156	37%	0.369	C	S	.	.	S	Bend	trans	-77.2	-24.7	-176.3	31.1	-35.8	0	0	0	112.9	G120 W144	G120-P122 WeakPolarHBondContact O-CD 3.49Å; P122-W144 HydrophobicContact CB-CD2 4.05Å; P122-W144 HydrophobicContact CB-CE3 3.85Å; P122-W144 HydrophobicContact CB-CH2 3.86Å; P122-W144 HydrophobicContact CB-CZ2 4.06Å; P122-W144 HydrophobicContact CB-CZ3 3.74Å; P122-W144 HydrophobicContact CG-CD2 3.74Å; P122-W144 HydrophobicContact CG-CE3 3.96Å; P122-W144 HydrophobicContact CG-CG 4.12Å; P122-W144 HydrophobicContact CG-CZ2 4.39Å; P122-W144 HydrophobicContact CG-CZ3 4.35Å
123	I	92	Very high	89.7	Confident	3 Å²	3	80.1 Å²	80.1	2%	0.015	38%	0.38	C	S	.	.			trans	-135.6	153.7	176	-163.7	170.4	0	0	0	108.2	E140 C143 W144 T148 C550 V551 L552	I123-E140 HydrophobicContact CG2-CB 4.38Å; I123-E140 WeakPolarHBondContact CG2-O 3.35Å; I123-C143 HydrophobicContact CD1-CB 4.26Å; I123-W144 HydrophobicContact CB-CE3 4.23Å; I123-W144 HydrophobicContact CG2-CB 3.91Å; I123-W144 HydrophobicContact CG2-CE3 4.49Å; I123-T148 HydrophobicContact CD1-CG2 3.85Å; I123-C550 HydrophobicContact CD1-CB 3.69Å; I123-C550 HydrophobicContact CG1-CB 3.83Å; I123-V551 WeakPolarHBondContact CG1-O 3.43Å; I123-L552 HydrophobicContact CB-CD1 4.14Å; I123-L552 HydrophobicContact CD1-CD1 4.21Å; I123-L552 HydrophobicContact CG1-CD1 3.99Å
124	Q	93.6	Very high	89.8	Confident	98 Å²	98	82.4 Å²	82.4	46%	0.458	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	131.7	169	-63.4	-174.9	-94	0	0	109.4	K121 E140 C550 V551	K121-Q124 HydrophobicContact CB-CG 4.13Å; K121-Q124 HydrophobicContact CD-CG 4.05Å; Q124-E140 WeakPolarHBondContact CA-OE1 3.43Å; Q124-C550 CarbonylContact O-C 3.58Å; Q124-C550 VanDerWaalsContact O-CA 3.31Å; Q124-C550 WeakPolarHBondContact O-CA 3.36Å; Q124-V551 PolarHBondContact N-O 3.49Å; Q124-V551 PolarHBondContact O-N 3.41Å
125	C	95.1	Very high	89.9	Confident	18 Å²	18	87.2 Å²	87.2	12%	0.122	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	142.6	-173.4	-64.1	0	0	0	0	112.6	I127 E140 C550	C125-I127 HydrophobicContact CB-CD1 4.12Å; C125-I127 HydrophobicContact CB-CG1 4.04Å; C125-E140 HydrophobicContact CB-CG 4.25Å; C125-C550 HydrophobicContact CB-CB 4.12Å; C125-C550 WeakPolarHBondContact CB-SG 3.32Å; C125-C550 WeakPolarHBondContact SG-CB 3.29Å; C125-C550 CovalentContact SG-SG 2.05Å; C125-C550 PolarHBondContact SG-SG 3.33Å
126	W	94.4	Very high	90.1	Very high	213 Å²	213	87.2 Å²	87.2	81%	0.807	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	117.9	168.9	-172.9	-88.4	0	0	0	109.4	Q549	W126-Q549 HydrophobicContact CB-CB 4.49Å; W126-Q549 PolarHBondContact N-O 3.32Å
127	I	93	Very high	90.3	Very high	30 Å²	30	85 Å²	85	15%	0.154	41%	0.411	C	S	.	.			trans	-125.3	142.9	-165.9	-68.3	179.5	0	0	0	110.1	C125 F131 E136 A139 L548	C125-I127 HydrophobicContact CB-CD1 4.12Å; C125-I127 HydrophobicContact CB-CG1 4.04Å; I127-F131 HydrophobicContact CG2-CB 3.65Å; I127-F131 HydrophobicContact CG2-CD2 3.4Å; I127-F131 VanDerWaalsContact CG2-CD2 3.4Å; I127-F131 HydrophobicContact CG2-CE2 4.22Å; I127-F131 HydrophobicContact CG2-CG 3.76Å; I127-E136 HydrophobicContact CD1-CB 4.18Å; I127-E136 HydrophobicContact CD1-CG 4.04Å; I127-A139 HydrophobicContact CD1-CB 3.8Å; I127-L548 HydrophobicContact CG1-CD1 4.31Å; I127-L548 HydrophobicContact CG1-CD2 4.31Å
128	P	92	Very high	90.7	Very high	46 Å²	46	89.7 Å²	89.7	30%	0.299	43%	0.429	S	S	.	.			trans	-59.6	143.2	177.4	-24.7	35.3	0	0	0	113.3	E130 F131 Y546	P128-E130 HydrophobicContact CB-CG 3.83Å; P128-E130 PolarHBondContact O-N 3.09Å; P128-F131 PolarHBondContact O-N 3.33Å; P128-Y546 HydrophobicContact CG-CD1 3.94Å; P128-Y546 HydrophobicContact CG-CE1 4.06Å
129	Q	89.8	Confident	91.1	Very high	204 Å²	204	80.9 Å²	80.9	95%	0.953	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-10.6	179.8	-68.2	179	-20.4	0	0	114.8	F131	Q129-F131 VanDerWaalsContact C-N 3.32Å
130	E	89.5	Confident	91.5	Very high	107 Å²	107	77 Å²	77	50%	0.5	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-11.3	172.9	54.8	157.8	168.6	0	0	114.1	P128 K539 Y546	P128-E130 HydrophobicContact CB-CG 3.83Å; P128-E130 PolarHBondContact O-N 3.09Å; E130-K539 IonicContact OE1-NZ 2.77Å; E130-K539 PolarHBondContact OE1-NZ 3.06Å; E130-K539 IonicContact OE2-NZ 2.85Å; E130-K539 PolarHBondContact OE2-NZ 3.21Å; E130-Y546 VanDerWaalsContact OE1-CE1 3.28Å; E130-Y546 WeakPolarHBondContact OE1-CE1 3.33Å; E130-Y546 VanDerWaalsContact OE1-CZ 3.3Å; E130-Y546 PolarHBondContact OE1-OH 3.11Å
131	F	89.5	Confident	91.9	Very high	29 Å²	29	80.2 Å²	80.2	13%	0.127	38%	0.378	C	S	.	.	S	Bend	trans	-89.3	129	178.9	-76.8	21.2	0	0	0	110.8	I127 P128 Q129 W135 F535 Y546	I127-F131 HydrophobicContact CG2-CB 3.65Å; I127-F131 HydrophobicContact CG2-CD2 3.4Å; I127-F131 VanDerWaalsContact CG2-CD2 3.4Å; I127-F131 HydrophobicContact CG2-CE2 4.22Å; I127-F131 HydrophobicContact CG2-CG 3.76Å; P128-F131 PolarHBondContact O-N 3.33Å; Q129-F131 VanDerWaalsContact C-N 3.32Å; F131-W135 HydrophobicContact CB-CB 3.79Å; F131-W135 HydrophobicContact CD2-CB 3.81Å; F131-W135 HydrophobicContact CG-CB 3.88Å; F131-F535 HydrophobicContact CE2-CD1 4.08Å; F131-F535 AromaticContact CE2-CE1 3.61Å; F131-F535 HydrophobicContact CE2-CE1 3.61Å; F131-F535 HydrophobicContact CE2-CZ 4.43Å; F131-F535 HydrophobicContact CZ-CD1 4.19Å; F131-F535 AromaticContact CZ-CE1 3.8Å; F131-F535 HydrophobicContact CZ-CE1 3.8Å; F131-Y546 HydrophobicContact CE1-CE1 4.29Å; F131-Y546 HydrophobicContact CE1-CE2 4.37Å; F131-Y546 HydrophobicContact CZ-CD2 4.3Å; F131-Y546 HydrophobicContact CZ-CE1 4.41Å; F131-Y546 HydrophobicContact CZ-CE2 4.16Å
132	T	92.5	Very high	92.3	Very high	93 Å²	93	79.6 Å²	79.6	57%	0.571	37%	0.374	S	S	*	.			trans	-68.6	161.5	168.5	69.9	0	0	0	0	110.8	G134 W135 E136	T132-G134 PolarHBondContact O-N 2.92Å; T132-W135 CarbonylContact O-C 3.6Å; T132-W135 WeakPolarHBondContact O-CA 3.33Å; T132-W135 WeakPolarHBondContact O-CB 3.35Å; T132-W135 PolarHBondContact O-N 2.71Å; T132-E136 PolarHBondContact O-N 2.98Å
133	R	92.3	Very high	92.5	Very high	180 Å²	180	78.4 Å²	78.4	68%	0.679	37%	0.367	S	S	*	.	H	α-helix	trans	-50.8	-34.1	175.9	-177.1	176.5	166	169.8	-0.4	115	W135 E136 E137	R133-W135 VanDerWaalsContact C-N 3.32Å; R133-W135 PolarHBondContact O-N 3.15Å; R133-E136 WeakPolarHBondContact O-CB 3.43Å; R133-E136 PolarHBondContact O-N 3.41Å; R133-E137 IonicContact CZ-OE1 3.48Å; R133-E137 IonicContact NE-OE1 3.72Å; R133-E137 PolarHBondContact NE-OE1 3.17Å; R133-E137 IonicContact NH2-OE1 2.69Å; R133-E137 PolarHBondContact NH2-OE1 3.31Å; R133-E137 WeakPolarHBondContact O-CG 3.19Å; R133-E137 PolarHBondContact O-N 2.86Å
134	G	92.4	Very high	92.5	Very high	49 Å²	49	80 Å²	80	51%	0.505	37%	0.372	S	S	.	.	H	α-helix	trans	-68.1	-29.5	174.4	0	0	0	0	0	113.9	T132 Y138	T132-G134 PolarHBondContact O-N 2.92Å; G134-Y138 VanDerWaalsContact O-CB 3.27Å; G134-Y138 WeakPolarHBondContact O-CB 3.4Å; G134-Y138 PolarHBondContact O-N 3.1Å
135	W	92.1	Very high	92.4	Very high	114 Å²	114	80.1 Å²	80.1	43%	0.432	38%	0.38	S	S	.	.	H	α-helix	trans	-78.4	-30.8	170.9	-80.2	97	0	0	0	112.1	F131 T132 R133 Y138 A139 F535 A537	F131-W135 HydrophobicContact CB-CB 3.79Å; F131-W135 HydrophobicContact CD2-CB 3.81Å; F131-W135 HydrophobicContact CG-CB 3.88Å; T132-W135 CarbonylContact O-C 3.6Å; T132-W135 WeakPolarHBondContact O-CA 3.33Å; T132-W135 WeakPolarHBondContact O-CB 3.35Å; T132-W135 PolarHBondContact O-N 2.71Å; R133-W135 VanDerWaalsContact C-N 3.32Å; R133-W135 PolarHBondContact O-N 3.15Å; W135-Y138 HydrophobicContact CE3-CD1 4.09Å; W135-Y138 HydrophobicContact CZ3-CD1 4.18Å; W135-Y138 HydrophobicContact CZ3-CE1 4.32Å; W135-A139 WeakPolarHBondContact O-CB 3.49Å; W135-A139 PolarHBondContact O-N 3.39Å; W135-F535 HydrophobicContact CE3-CE1 4.33Å; W135-F535 HydrophobicContact CE3-CZ 4.03Å; W135-F535 HydrophobicContact CZ3-CE1 4.25Å; W135-F535 AromaticContact CZ3-CZ 3.92Å; W135-F535 HydrophobicContact CZ3-CZ 3.92Å; W135-A537 HydrophobicContact CZ3-CB 4.49Å
136	E	93.2	Very high	92	Very high	69 Å²	69	81.2 Å²	81.2	32%	0.322	39%	0.388	S	S	.	.	H	α-helix	trans	-59.2	-57.9	167.8	173.9	-164	148.8	0	0	110.4	K121 I127 T132 R133 Y138 A139 E140	K121-E136 IonicContact NZ-OE1 2.88Å; K121-E136 PolarHBondContact NZ-OE1 3.27Å; I127-E136 HydrophobicContact CD1-CB 4.18Å; I127-E136 HydrophobicContact CD1-CG 4.04Å; T132-E136 PolarHBondContact O-N 2.98Å; R133-E136 WeakPolarHBondContact O-CB 3.43Å; R133-E136 PolarHBondContact O-N 3.41Å; E136-Y138 VanDerWaalsContact C-N 3.27Å; E136-Y138 PolarHBondContact O-N 3.21Å; E136-A139 PolarHBondContact O-N 3.4Å; E136-A139 VanDerWaalsContact O-N 3.11Å; E136-E140 PolarHBondContact O-N 3.06Å
137	E	92.8	Very high	91.7	Very high	74 Å²	74	74 Å²	74	35%	0.346	37%	0.365	S	S	.	.	H	α-helix	trans	-63.3	-33.6	-177.8	-68.1	174.6	-172.9	0	0	111.3	R133 N141	R133-E137 IonicContact CZ-OE1 3.48Å; R133-E137 IonicContact NE-OE1 3.72Å; R133-E137 PolarHBondContact NE-OE1 3.17Å; R133-E137 IonicContact NH2-OE1 2.69Å; R133-E137 PolarHBondContact NH2-OE1 3.31Å; R133-E137 WeakPolarHBondContact O-CG 3.19Å; R133-E137 PolarHBondContact O-N 2.86Å; E137-N141 WeakPolarHBondContact O-CB 3.49Å; E137-N141 PolarHBondContact O-N 2.81Å; E137-N141 PolarHBondContact O-ND2 3.11Å
138	Y	93.3	Very high	91.7	Very high	127 Å²	127	72.5 Å²	72.5	50%	0.498	36%	0.357	S	S	.	.	H	α-helix	trans	-67.2	-44.5	171.2	177.1	-111.8	0	0	0	113	G134 W135 E136 N141 Y142 F535	G134-Y138 VanDerWaalsContact O-CB 3.27Å; G134-Y138 WeakPolarHBondContact O-CB 3.4Å; G134-Y138 PolarHBondContact O-N 3.1Å; W135-Y138 HydrophobicContact CE3-CD1 4.09Å; W135-Y138 HydrophobicContact CZ3-CD1 4.18Å; W135-Y138 HydrophobicContact CZ3-CE1 4.32Å; E136-Y138 VanDerWaalsContact C-N 3.27Å; E136-Y138 PolarHBondContact O-N 3.21Å; Y138-N141 PolarHBondContact O-N 3.39Å; Y138-Y142 VanDerWaalsContact O-CB 3.31Å; Y138-Y142 WeakPolarHBondContact O-CB 3.46Å; Y138-Y142 PolarHBondContact O-N 3.19Å; Y138-F535 AromaticContact CD1-CE2 3.87Å; Y138-F535 HydrophobicContact CD1-CE2 3.87Å; Y138-F535 AromaticContact CD1-CZ 3.78Å; Y138-F535 HydrophobicContact CD1-CZ 3.78Å; Y138-F535 AromaticContact CE1-CE2 3.61Å; Y138-F535 HydrophobicContact CE1-CE2 3.61Å; Y138-F535 AromaticContact CE1-CZ 3.69Å; Y138-F535 HydrophobicContact CE1-CZ 3.69Å
139	A	93.8	Very high	91.6	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-69.5	-39.7	-179	0	0	0	0	0	112.5	I127 W135 E136 Y142 C143 F535 L548	I127-A139 HydrophobicContact CD1-CB 3.8Å; W135-A139 WeakPolarHBondContact O-CB 3.49Å; W135-A139 PolarHBondContact O-N 3.39Å; E136-A139 PolarHBondContact O-N 3.4Å; E136-A139 VanDerWaalsContact O-N 3.11Å; A139-Y142 PolarHBondContact O-N 3.42Å; A139-C143 WeakPolarHBondContact O-CB 3.48Å; A139-C143 PolarHBondContact O-N 3.36Å; A139-C143 PolarHBondContact O-SG 3.09Å; A139-F535 HydrophobicContact CB-CD2 4.39Å; A139-F535 HydrophobicContact CB-CE2 4.15Å; A139-F535 HydrophobicContact CB-CZ 4.29Å; A139-L548 HydrophobicContact CB-CD1 3.92Å
140	E	93.2	Very high	91.6	Very high	15 Å²	15	62.3 Å²	62.3	7%	0.07	31%	0.305	C	S	.	.	H	α-helix	trans	-60.1	-46.3	172.2	-74.5	-175.5	151.7	0	0	111.5	K121 I123 Q124 C125 E136 C143 W144	K121-E140 WeakPolarHBondContact CD-OE2 3.31Å; K121-E140 VanDerWaalsContact CE-OE2 3.24Å; K121-E140 WeakPolarHBondContact CE-OE2 3.5Å; K121-E140 IonicContact NZ-OE1 2.7Å; K121-E140 PolarHBondContact NZ-OE1 3.22Å; K121-E140 IonicContact NZ-OE2 3.51Å; K121-E140 PolarHBondContact NZ-OE2 3.4Å; I123-E140 HydrophobicContact CG2-CB 4.38Å; I123-E140 WeakPolarHBondContact CG2-O 3.35Å; Q124-E140 WeakPolarHBondContact CA-OE1 3.43Å; C125-E140 HydrophobicContact CB-CG 4.25Å; E136-E140 PolarHBondContact O-N 3.06Å; E140-C143 PolarHBondContact O-N 2.97Å; E140-W144 WeakPolarHBondContact O-CB 3.47Å; E140-W144 PolarHBondContact O-N 3.28Å
141	N	92.2	Very high	91.5	Very high	102 Å²	102	57.5 Å²	57.5	55%	0.545	28%	0.284	S	S	.	.	H	α-helix	trans	-65.9	-39.3	176.5	-80.6	-67.3	0	0	0	112.3	E137 Y138 W144 V145	E137-N141 WeakPolarHBondContact O-CB 3.49Å; E137-N141 PolarHBondContact O-N 2.81Å; E137-N141 PolarHBondContact O-ND2 3.11Å; Y138-N141 PolarHBondContact O-N 3.39Å; N141-W144 PolarHBondContact O-N 3.04Å; N141-V145 WeakPolarHBondContact O-CG2 3.4Å; N141-V145 PolarHBondContact O-N 3.46Å; N141-V145 VanDerWaalsContact O-N 3.16Å
142	Y	93.5	Very high	91.2	Very high	76 Å²	76	58.1 Å²	58.1	30%	0.298	29%	0.291	S	S	.	.	H	α-helix	trans	-60.6	-46.3	174.8	177.5	-84.3	0	0	0	111.3	Y138 A139 W144 V145 S146 F535	Y138-Y142 VanDerWaalsContact O-CB 3.31Å; Y138-Y142 WeakPolarHBondContact O-CB 3.46Å; Y138-Y142 PolarHBondContact O-N 3.19Å; A139-Y142 PolarHBondContact O-N 3.42Å; Y142-W144 VanDerWaalsContact C-N 3.34Å; Y142-V145 PolarHBondContact O-N 2.86Å; Y142-S146 WeakPolarHBondContact O-CA 3.2Å; Y142-S146 WeakPolarHBondContact O-CB 3.33Å; Y142-S146 PolarHBondContact O-N 3.2Å; Y142-S146 PolarHBondContact O-OG 3.11Å; Y142-F535 AromaticContact CD1-CD2 3.61Å; Y142-F535 HydrophobicContact CD1-CD2 3.61Å; Y142-F535 HydrophobicContact CD1-CE2 4.29Å; Y142-F535 HydrophobicContact CE1-CD2 4.05Å; Y142-F535 AromaticContact CG-CD2 3.87Å; Y142-F535 HydrophobicContact CG-CD2 3.87Å; Y142-F535 HydrophobicContact CG-CE2 4.08Å
143	C	93.2	Very high	90.7	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-75.3	-18.9	179.3	-65.7	0	0	0	0	113.8	I123 A139 E140 S146 T148 C533	I123-C143 HydrophobicContact CD1-CB 4.26Å; A139-C143 WeakPolarHBondContact O-CB 3.48Å; A139-C143 PolarHBondContact O-N 3.36Å; A139-C143 PolarHBondContact O-SG 3.09Å; E140-C143 PolarHBondContact O-N 2.97Å; C143-S146 VanDerWaalsContact O-O 3.12Å; C143-T148 WeakPolarHBondContact O-CG2 3.49Å; C143-C533 VanDerWaalsContact CA-SG 3.52Å; C143-C533 HydrophobicContact CB-CB 3.7Å; C143-C533 WeakPolarHBondContact CB-SG 3.39Å; C143-C533 WeakPolarHBondContact SG-CB 3.46Å; C143-C533 CovalentContact SG-SG 2.03Å; C143-C533 PolarHBondContact SG-SG 3.08Å
144	W	91.3	Very high	90.1	Very high	35 Å²	35	56.2 Å²	56.2	13%	0.133	29%	0.286	C	S	.	.	H	α-helix	trans	-73	-38.4	169.1	176.3	-113.5	0	0	0	112.3	Q117 P122 I123 E140 N141 Y142 Y171 Q172 L552 L554	Q117-W144 HydrophobicContact CG-CZ2 4.05Å; P122-W144 HydrophobicContact CB-CD2 4.05Å; P122-W144 HydrophobicContact CB-CE3 3.85Å; P122-W144 HydrophobicContact CB-CH2 3.86Å; P122-W144 HydrophobicContact CB-CZ2 4.06Å; P122-W144 HydrophobicContact CB-CZ3 3.74Å; P122-W144 HydrophobicContact CG-CD2 3.74Å; P122-W144 HydrophobicContact CG-CE3 3.96Å; P122-W144 HydrophobicContact CG-CG 4.12Å; P122-W144 HydrophobicContact CG-CZ2 4.39Å; P122-W144 HydrophobicContact CG-CZ3 4.35Å; I123-W144 HydrophobicContact CB-CE3 4.23Å; I123-W144 HydrophobicContact CG2-CB 3.91Å; I123-W144 HydrophobicContact CG2-CE3 4.49Å; E140-W144 WeakPolarHBondContact O-CB 3.47Å; E140-W144 PolarHBondContact O-N 3.28Å; N141-W144 PolarHBondContact O-N 3.04Å; Y142-W144 VanDerWaalsContact C-N 3.34Å; W144-Y171 HydrophobicContact CE3-CD2 4.11Å; W144-Y171 AromaticContact CE3-CE2 3.79Å; W144-Y171 HydrophobicContact CE3-CE2 3.79Å; W144-Y171 AromaticContact CH2-CD2 3.6Å; W144-Y171 HydrophobicContact CH2-CD2 3.6Å; W144-Y171 HydrophobicContact CH2-CE2 4.12Å; W144-Y171 AromaticContact CZ3-CD2 3.32Å; W144-Y171 HydrophobicContact CZ3-CD2 3.32Å; W144-Y171 AromaticContact CZ3-CE2 3.49Å; W144-Y171 HydrophobicContact CZ3-CE2 3.49Å; W144-Y171 VanDerWaalsContact CZ3-CE2 3.49Å; W144-Y171 HydrophobicContact CZ3-CG 4.41Å; W144-Q172 PolarHBondContact O-NE2 3.22Å; W144-L552 HydrophobicContact CE3-CD1 4.42Å; W144-L552 HydrophobicContact CZ3-CD1 4.06Å; W144-L554 HydrophobicContact CH2-CD2 3.76Å; W144-L554 HydrophobicContact CZ3-CD2 4.36Å
145	V	91.2	Very high	89.4	Confident	101 Å²	101	60.6 Å²	60.6	61%	0.612	29%	0.293	S	S	*	.	H	α-helix	trans	-83.3	-44.6	179.7	175.7	0	0	0	0	111.5	N141 Y142 N147 Q172	N141-V145 WeakPolarHBondContact O-CG2 3.4Å; N141-V145 PolarHBondContact O-N 3.46Å; N141-V145 VanDerWaalsContact O-N 3.16Å; Y142-V145 PolarHBondContact O-N 2.86Å; V145-N147 PolarHBondContact O-N 3.27Å; V145-Q172 PolarHBondContact O-NE2 3.38Å
146	S	87	Confident	88.9	Confident	42 Å²	42	60.8 Å²	60.8	29%	0.294	31%	0.312	S	S	.	.	S	Bend	trans	-84.9	96.7	177.7	-46.4	0	0	0	0	108.6	Y142 C143 T148	Y142-S146 WeakPolarHBondContact O-CA 3.2Å; Y142-S146 WeakPolarHBondContact O-CB 3.33Å; Y142-S146 PolarHBondContact O-N 3.2Å; Y142-S146 PolarHBondContact O-OG 3.11Å; C143-S146 VanDerWaalsContact O-O 3.12Å; S146-T148 PolarHBondContact O-N 3.05Å
147	N	88.4	Confident	88.5	Confident	60 Å²	60	60.2 Å²	60.2	32%	0.321	31%	0.311	S	S	.	.			trans	-40	133.2	-172.5	-58.1	-61.4	0	0	0	113.6	V145 L167 G169 Q172	V145-N147 PolarHBondContact O-N 3.27Å; N147-L167 HydrophobicContact CB-CB 4.47Å; N147-L167 HydrophobicContact CB-CD2 4.36Å; N147-L167 WeakPolarHBondContact O-CD2 3.2Å; N147-G169 WeakPolarHBondContact OD1-CA 3.37Å; N147-Q172 PolarHBondContact OD1-NE2 3.39Å
148	T	92	Very high	88.1	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	150.6	177.9	57.9	0	0	0	0	112	I123 C143 S146 I168 Y171 T531 F532 C533	I123-T148 HydrophobicContact CD1-CG2 3.85Å; C143-T148 WeakPolarHBondContact O-CG2 3.49Å; S146-T148 PolarHBondContact O-N 3.05Å; T148-I168 WeakPolarHBondContact O-CB 3.39Å; T148-I168 PolarHBondContact O-N 3.39Å; T148-Y171 PolarHBondContact N-OH 3.08Å; T148-Y171 PolarHBondContact OG1-OH 3.15Å; T148-T531 WeakPolarHBondContact CB-OG1 3.45Å; T148-T531 WeakPolarHBondContact OG1-CB 3.2Å; T148-T531 PolarHBondContact OG1-OG1 3.26Å; T148-F532 CarbonylContact C-O 3.5Å; T148-F532 VanDerWaalsContact CA-O 3.29Å; T148-F532 WeakPolarHBondContact CA-O 3.45Å; T148-F532 WeakPolarHBondContact CB-O 3.26Å; T148-C533 HydrophobicContact CG2-CB 4.22Å
149	Y	91.5	Very high	87.5	Confident	4 Å²	4	55.5 Å²	55.5	2%	0.016	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	155.9	174.9	67.1	-89.7	0	0	0	113.1	A151 L157 P158 R163 L166 T531 F532	Y149-A151 HydrophobicContact CE2-CB 4.3Å; Y149-L157 HydrophobicContact CE2-CD2 4.27Å; Y149-P158 HydrophobicContact CE2-CG 4.41Å; Y149-R163 HydrophobicContact CD1-CB 4.24Å; Y149-R163 HydrophobicContact CD1-CG 4.4Å; Y149-R163 HydrophobicContact CD2-CG 4.38Å; Y149-R163 HydrophobicContact CE1-CB 4.37Å; Y149-R163 HydrophobicContact CE1-CG 4.1Å; Y149-R163 HydrophobicContact CE2-CG 4.08Å; Y149-R163 HydrophobicContact CG-CB 4.39Å; Y149-R163 PolarHBondContact OH-NH1 3.35Å; Y149-L166 VanDerWaalsContact CA-O 3.24Å; Y149-L166 WeakPolarHBondContact CA-O 3.29Å; Y149-L166 WeakPolarHBondContact CB-O 3.31Å; Y149-T531 CarbonylContact O-C 3.53Å; Y149-T531 WeakPolarHBondContact O-CA 3.41Å; Y149-T531 WeakPolarHBondContact O-CB 3.25Å; Y149-F532 HydrophobicContact CD1-CB 4.28Å; Y149-F532 WeakPolarHBondContact CD1-O 3.37Å; Y149-F532 HydrophobicContact CD2-CB 4.22Å; Y149-F532 HydrophobicContact CE1-CB 3.78Å; Y149-F532 HydrophobicContact CE2-CB 3.7Å; Y149-F532 HydrophobicContact CE2-CD2 4.3Å; Y149-F532 HydrophobicContact CE2-CG 4.32Å; Y149-F532 HydrophobicContact CG-CB 4.48Å; Y149-F532 VanDerWaalsContact CZ-CB 3.45Å; Y149-F532 PolarHBondContact N-O 3.12Å; Y149-F532 PolarHBondContact O-N 2.94Å
150	F	88.8	Confident	86.8	Confident	31 Å²	31	58.9 Å²	58.9	14%	0.136	33%	0.33	C	S	.	.			trans	-96.7	137.2	172.4	169.7	-114.6	0	0	0	111.6	L166 I168 W521 P528	F150-L166 PolarHBondContact N-O 3.14Å; F150-I168 HydrophobicContact CB-CD1 3.68Å; F150-W521 HydrophobicContact CD2-CZ3 4.39Å; F150-W521 HydrophobicContact CE2-CE3 4.19Å; F150-W521 AromaticContact CE2-CZ3 3.85Å; F150-W521 HydrophobicContact CE2-CZ3 3.85Å; F150-P528 HydrophobicContact CB-CB 4.23Å; F150-P528 HydrophobicContact CB-CG 3.96Å; F150-P528 HydrophobicContact CD2-CB 3.57Å; F150-P528 HydrophobicContact CD2-CG 4.25Å; F150-P528 HydrophobicContact CE2-CB 4.12Å; F150-P528 HydrophobicContact CG-CB 3.91Å; F150-P528 HydrophobicContact CG-CG 4.1Å
151	A	86.6	Confident	86.1	Confident	6 Å²	6	62.3 Å²	62.3	5%	0.05	35%	0.354	C	S	.	.			trans	-143.8	143.7	166.9	0	0	0	0	0	109.5	Y149 L157 F532	Y149-A151 HydrophobicContact CE2-CB 4.3Å; A151-L157 HydrophobicContact CB-CD2 4.08Å; A151-F532 HydrophobicContact CB-CD2 4.03Å; A151-F532 HydrophobicContact CB-CE2 4.05Å
152	P	84.5	Confident	85.7	Confident	43 Å²	43	61 Å²	61	28%	0.279	35%	0.346	S	S	.	.			trans	-73.8	136.2	174.8	30.5	-34	0	0	0	111	Q154 H155	P152-Q154 PolarHBondContact O-N 3.2Å; P152-Q154 VanDerWaalsContact O-N 3.1Å; P152-H155 HydrophobicContact CG-CB 4.44Å; P152-H155 PolarHBondContact O-N 3.1Å
153	L	81.3	Confident	85.3	Confident	105 Å²	105	59.1 Å²	59.1	55%	0.55	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-17.5	-176.1	-80	71.1	0	0	0	113.7	H155	L153-H155 VanDerWaalsContact C-N 3.28Å; L153-H155 PolarHBondContact O-N 3.2Å
154	Q	79.5	Confident	84.7	Confident	127 Å²	127	66.2 Å²	66.2	59%	0.593	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-6.3	-178.6	-61.1	81.6	0.5	0	0	113.7	P152	P152-Q154 PolarHBondContact O-N 3.2Å; P152-Q154 VanDerWaalsContact O-N 3.1Å
155	H	78.2	Confident	84.2	Confident	141 Å²	141	72.5 Å²	72.5	65%	0.653	41%	0.405	S	S	*	.	S	Bend	trans	-126.9	155.6	-177.4	-62.7	-30.1	0	0	0	111.2	P152 L153	P152-H155 HydrophobicContact CG-CB 4.44Å; P152-H155 PolarHBondContact O-N 3.1Å; L153-H155 VanDerWaalsContact C-N 3.28Å; L153-H155 PolarHBondContact O-N 3.2Å
156	S	82	Confident	83.8	Confident	119 Å²	119	71.2 Å²	71.2	83%	0.832	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-60.6	142.7	172.3	-66.9	0	0	0	0	110.1
157	L	84.4	Confident	83.8	Confident	57 Å²	57	73.1 Å²	73.1	30%	0.298	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-55.7	136.2	176.7	-68.7	176.2	0	0	0	110.1	Y149 A151 F532 T547	Y149-L157 HydrophobicContact CE2-CD2 4.27Å; A151-L157 HydrophobicContact CB-CD2 4.08Å; L157-F532 HydrophobicContact CD2-CD1 4.14Å; L157-F532 HydrophobicContact CD2-CD2 3.88Å; L157-F532 HydrophobicContact CD2-CE1 4.2Å; L157-F532 HydrophobicContact CD2-CE2 3.95Å; L157-F532 HydrophobicContact CD2-CG 3.98Å; L157-F532 HydrophobicContact CD2-CZ 4.11Å; L157-T547 HydrophobicContact CD1-CG2 4.13Å
158	P	83.6	Confident	83.7	Confident	24 Å²	24	71.3 Å²	71.3	16%	0.156	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-61.4	156	-177.3	22.9	-32.1	0	0	0	112	Y149 D162 R163 L166	Y149-P158 HydrophobicContact CE2-CG 4.41Å; P158-D162 HydrophobicContact CB-CB 4.16Å; P158-R163 HydrophobicContact CG-CG 4.08Å; P158-R163 PolarHBondContact O-NE 3.21Å; P158-R163 PolarHBondContact O-NH2 3.42Å; P158-L166 HydrophobicContact CB-CD1 4.45Å; P158-L166 HydrophobicContact CG-CD1 3.8Å
159	P	82.3	Confident	83.3	Confident	78 Å²	78	72.3 Å²	72.3	51%	0.506	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-49.9	150.1	170.3	-26.4	34.4	0	0	0	112.4	P161 D162 R163	P159-P161 VanDerWaalsContact C-CD 3.46Å; P159-P161 HydrophobicContact CB-CG 4.29Å; P159-D162 VanDerWaalsContact CD-OD2 3.31Å; P159-D162 WeakPolarHBondContact CD-OD2 3.45Å; P159-D162 WeakPolarHBondContact CG-OD2 3.43Å; P159-D162 PolarHBondContact O-N 3.13Å; P159-R163 PolarHBondContact O-N 3.02Å
160	A	77.3	Confident	83.1	Confident	71 Å²	71	74.1 Å²	74.1	59%	0.587	41%	0.408	S	S	*	.	H	α-helix	trans	-47.4	-46.6	179.7	0	0	0	0	0	115.4	D162 R163	A160-D162 VanDerWaalsContact C-N 3.32Å; A160-D162 PolarHBondContact O-N 3.45Å; A160-R163 WeakPolarHBondContact O-CB 3.37Å; A160-R163 PolarHBondContact O-N 3.39Å
161	P	80.4	Confident	83.1	Confident	87 Å²	87	72.6 Å²	72.6	57%	0.565	40%	0.401	S	S	*	.	H	α-helix	trans	-64.6	-32.8	179.3	25.3	-35.9	0	0	0	113.7	P159 R163	P159-P161 VanDerWaalsContact C-CD 3.46Å; P159-P161 HydrophobicContact CB-CG 4.29Å; P161-R163 VanDerWaalsContact C-N 3.3Å; P161-R163 PolarHBondContact O-N 3.44Å
162	D	83.1	Confident	83.2	Confident	73 Å²	73	74.4 Å²	74.4	39%	0.39	41%	0.409	S	S	.	.	H	α-helix	trans	-76.6	-20.8	-176.2	-55.9	-32.9	0	0	0	111.9	P158 P159 A160 E164 M165	P158-D162 HydrophobicContact CB-CB 4.16Å; P159-D162 VanDerWaalsContact CD-OD2 3.31Å; P159-D162 WeakPolarHBondContact CD-OD2 3.45Å; P159-D162 WeakPolarHBondContact CG-OD2 3.43Å; P159-D162 PolarHBondContact O-N 3.13Å; A160-D162 VanDerWaalsContact C-N 3.32Å; A160-D162 PolarHBondContact O-N 3.45Å; D162-E164 VanDerWaalsContact C-N 3.29Å; D162-E164 PolarHBondContact O-N 3.28Å; D162-M165 PolarHBondContact O-N 2.97Å
163	R	84.5	Confident	83.4	Confident	38 Å²	38	79.4 Å²	79.4	14%	0.143	42%	0.422	C	S	.	.	H	α-helix	trans	-62.7	-35.1	176.3	-66	172.3	-167.3	-154.7	-7.9	112.3	Y149 P158 P159 A160 P161 M165 L166 L167 D534	Y149-R163 HydrophobicContact CD1-CB 4.24Å; Y149-R163 HydrophobicContact CD1-CG 4.4Å; Y149-R163 HydrophobicContact CD2-CG 4.38Å; Y149-R163 HydrophobicContact CE1-CB 4.37Å; Y149-R163 HydrophobicContact CE1-CG 4.1Å; Y149-R163 HydrophobicContact CE2-CG 4.08Å; Y149-R163 HydrophobicContact CG-CB 4.39Å; Y149-R163 PolarHBondContact OH-NH1 3.35Å; P158-R163 HydrophobicContact CG-CG 4.08Å; P158-R163 PolarHBondContact O-NE 3.21Å; P158-R163 PolarHBondContact O-NH2 3.42Å; P159-R163 PolarHBondContact O-N 3.02Å; A160-R163 WeakPolarHBondContact O-CB 3.37Å; A160-R163 PolarHBondContact O-N 3.39Å; P161-R163 VanDerWaalsContact C-N 3.3Å; P161-R163 PolarHBondContact O-N 3.44Å; R163-M165 VanDerWaalsContact C-N 3.25Å; R163-M165 PolarHBondContact O-N 2.83Å; R163-L166 CarbonylContact O-C 3.53Å; R163-L166 PolarHBondContact O-N 3.19Å; R163-L167 PolarHBondContact O-N 3.24Å; R163-D534 VanDerWaalsContact CD-OD2 3.27Å; R163-D534 WeakPolarHBondContact CD-OD2 3.18Å; R163-D534 IonicContact CZ-OD2 3.88Å; R163-D534 IonicContact NE-OD2 3.68Å; R163-D534 IonicContact NH1-OD1 2.71Å; R163-D534 PolarHBondContact NH1-OD1 3.49Å; R163-D534 IonicContact NH1-OD2 2.86Å; R163-D534 PolarHBondContact NH1-OD2 3.2Å
164	E	81.6	Confident	83.9	Confident	148 Å²	148	74.4 Å²	74.4	69%	0.692	40%	0.396	S	S	*	.	H	α-helix	trans	-62.1	-34.2	-179.2	-65.6	-170.8	-179	0	0	112.1	D162 L166 L167	D162-E164 VanDerWaalsContact C-N 3.29Å; D162-E164 PolarHBondContact O-N 3.28Å; E164-L166 VanDerWaalsContact C-N 3.26Å; E164-L166 PolarHBondContact O-N 3.17Å; E164-L167 HydrophobicContact CB-CD1 4.37Å; E164-L167 WeakPolarHBondContact O-CD1 3.43Å; E164-L167 WeakPolarHBondContact O-CG 3.46Å
165	M	79.9	Confident	84.4	Confident	167 Å²	167	69.1 Å²	69.1	82%	0.823	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-15.6	176.2	-55.7	-167.5	-168.5	0	0	113.4	D162 R163	D162-M165 PolarHBondContact O-N 2.97Å; R163-M165 VanDerWaalsContact C-N 3.25Å; R163-M165 PolarHBondContact O-N 2.83Å
166	L	83.7	Confident	85.1	Confident	74 Å²	74	66.5 Å²	66.5	39%	0.387	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	4.7	-178.6	-63.3	170.6	0	0	0	112.9	Y149 F150 P158 R163 E164	Y149-L166 VanDerWaalsContact CA-O 3.24Å; Y149-L166 WeakPolarHBondContact CA-O 3.29Å; Y149-L166 WeakPolarHBondContact CB-O 3.31Å; F150-L166 PolarHBondContact N-O 3.14Å; P158-L166 HydrophobicContact CB-CD1 4.45Å; P158-L166 HydrophobicContact CG-CD1 3.8Å; R163-L166 CarbonylContact O-C 3.53Å; R163-L166 PolarHBondContact O-N 3.19Å; E164-L166 VanDerWaalsContact C-N 3.26Å; E164-L166 PolarHBondContact O-N 3.17Å
167	L	86.2	Confident	85.6	Confident	83 Å²	83	61.8 Å²	61.8	44%	0.435	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	133.4	-179.8	-69.7	172.1	0	0	0	112.4	N147 R163 E164	N147-L167 HydrophobicContact CB-CB 4.47Å; N147-L167 HydrophobicContact CB-CD2 4.36Å; N147-L167 WeakPolarHBondContact O-CD2 3.2Å; R163-L167 PolarHBondContact O-N 3.24Å; E164-L167 HydrophobicContact CB-CD1 4.37Å; E164-L167 WeakPolarHBondContact O-CD1 3.43Å; E164-L167 WeakPolarHBondContact O-CG 3.46Å
168	I	86	Confident	85.9	Confident	21 Å²	21	59 Å²	59	11%	0.108	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	106.8	-177.3	-55	-175.9	0	0	0	109	T148 F150 Y170 Y171 P528 T531	T148-I168 WeakPolarHBondContact O-CB 3.39Å; T148-I168 PolarHBondContact O-N 3.39Å; F150-I168 HydrophobicContact CB-CD1 3.68Å; I168-Y170 HydrophobicContact CG2-CD1 3.66Å; I168-Y170 HydrophobicContact CG2-CE1 3.34Å; I168-Y170 HydrophobicContact CG2-CG 4.37Å; I168-Y171 HydrophobicContact CB-CE1 4.2Å; I168-Y171 HydrophobicContact CG2-CD1 3.84Å; I168-Y171 HydrophobicContact CG2-CE1 3.81Å; I168-Y171 WeakPolarHBondContact O-CE1 3.34Å; I168-Y171 PolarHBondContact O-OH 2.7Å; I168-P528 HydrophobicContact CD1-CG 3.4Å; I168-P528 VanDerWaalsContact CD1-CG 3.4Å; I168-T531 HydrophobicContact CD1-CG2 4.38Å
169	G	84.3	Confident	86.4	Confident	21 Å²	21	59.4 Å²	59.4	22%	0.216	32%	0.319	C	S	.	.			trans	-111.6	-6.6	176.7	0	0	0	0	0	115.7	N147 Y171 Q172	N147-G169 WeakPolarHBondContact OD1-CA 3.37Å; G169-Y171 PolarHBondContact O-N 3.39Å; G169-Y171 VanDerWaalsContact O-N 3.14Å; G169-Q172 PolarHBondContact O-N 3.1Å
170	Y	87.1	Confident	86.9	Confident	42 Å²	42	59.4 Å²	59.4	17%	0.165	31%	0.314	C	S	.	.	H	α-helix	trans	-61.2	-30.6	-169.9	62.5	-111.7	0	0	0	113.7	I168 Q172 W173 A174 F499 F527 N555 L558	I168-Y170 HydrophobicContact CG2-CD1 3.66Å; I168-Y170 HydrophobicContact CG2-CE1 3.34Å; I168-Y170 HydrophobicContact CG2-CG 4.37Å; Y170-Q172 VanDerWaalsContact C-N 3.31Å; Y170-Q172 PolarHBondContact O-N 3.21Å; Y170-W173 PolarHBondContact O-N 3.19Å; Y170-A174 PolarHBondContact O-N 3.38Å; Y170-F499 HydrophobicContact CD2-CE1 4.15Å; Y170-F499 HydrophobicContact CD2-CZ 4.26Å; Y170-F499 HydrophobicContact CG-CE1 4.44Å; Y170-F499 HydrophobicContact CG-CZ 4.39Å; Y170-F499 VanDerWaalsContact O-CZ 3.26Å; Y170-F499 WeakPolarHBondContact O-CZ 3.46Å; Y170-F527 HydrophobicContact CE2-CD1 4.37Å; Y170-N555 PolarHBondContact OH-ND2 3.28Å; Y170-N555 PolarHBondContact OH-OD1 3.48Å; Y170-L558 HydrophobicContact CD2-CD1 4.4Å; Y170-L558 HydrophobicContact CE2-CD1 4.24Å
171	Y	87.9	Confident	87.7	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-65.9	-30.9	-175	51.2	-105.8	0	0	0	113.4	W144 T148 I168 G169 W173 L552	W144-Y171 HydrophobicContact CE3-CD2 4.11Å; W144-Y171 AromaticContact CE3-CE2 3.79Å; W144-Y171 HydrophobicContact CE3-CE2 3.79Å; W144-Y171 AromaticContact CH2-CD2 3.6Å; W144-Y171 HydrophobicContact CH2-CD2 3.6Å; W144-Y171 HydrophobicContact CH2-CE2 4.12Å; W144-Y171 AromaticContact CZ3-CD2 3.32Å; W144-Y171 HydrophobicContact CZ3-CD2 3.32Å; W144-Y171 AromaticContact CZ3-CE2 3.49Å; W144-Y171 HydrophobicContact CZ3-CE2 3.49Å; W144-Y171 VanDerWaalsContact CZ3-CE2 3.49Å; W144-Y171 HydrophobicContact CZ3-CG 4.41Å; T148-Y171 PolarHBondContact N-OH 3.08Å; T148-Y171 PolarHBondContact OG1-OH 3.15Å; I168-Y171 HydrophobicContact CB-CE1 4.2Å; I168-Y171 HydrophobicContact CG2-CD1 3.84Å; I168-Y171 HydrophobicContact CG2-CE1 3.81Å; I168-Y171 WeakPolarHBondContact O-CE1 3.34Å; I168-Y171 PolarHBondContact O-OH 2.7Å; G169-Y171 PolarHBondContact O-N 3.39Å; G169-Y171 VanDerWaalsContact O-N 3.14Å; Y171-W173 VanDerWaalsContact C-N 3.26Å; Y171-W173 PolarHBondContact O-N 2.82Å; Y171-L552 HydrophobicContact CD1-CD2 3.45Å; Y171-L552 VanDerWaalsContact CD1-CD2 3.45Å; Y171-L552 HydrophobicContact CE1-CD1 4.47Å; Y171-L552 HydrophobicContact CE1-CD2 3.55Å; Y171-L552 HydrophobicContact CE2-CD1 4.34Å; Y171-L552 HydrophobicContact CG-CD2 3.96Å
172	Q	88.6	Confident	88.2	Confident	44 Å²	44	52.9 Å²	52.9	21%	0.206	27%	0.267	C	S	.	.	H	α-helix	trans	-62.2	-37.1	172.8	-61.5	177.4	-13.5	0	0	111.3	W144 V145 N147 G169 Y170	W144-Q172 PolarHBondContact O-NE2 3.22Å; V145-Q172 PolarHBondContact O-NE2 3.38Å; N147-Q172 PolarHBondContact OD1-NE2 3.39Å; G169-Q172 PolarHBondContact O-N 3.1Å; Y170-Q172 VanDerWaalsContact C-N 3.31Å; Y170-Q172 PolarHBondContact O-N 3.21Å
173	W	90.2	Very high	88.7	Confident	147 Å²	147	55.9 Å²	55.9	56%	0.557	28%	0.281	S	S	*	.	H	α-helix	trans	-93.4	-12.6	-172.2	-64.9	93.2	0	0	0	114.1	Y170 Y171 P175 I176 V177	Y170-W173 PolarHBondContact O-N 3.19Å; Y171-W173 VanDerWaalsContact C-N 3.26Å; Y171-W173 PolarHBondContact O-N 2.82Å; W173-P175 VanDerWaalsContact C-CD 3.44Å; W173-I176 HydrophobicContact CE3-CB 4.46Å; W173-I176 HydrophobicContact CE3-CD1 3.81Å; W173-I176 HydrophobicContact CE3-CG2 4.42Å; W173-I176 HydrophobicContact CZ3-CD1 3.99Å; W173-I176 PolarHBondContact O-N 3.36Å; W173-V177 HydrophobicContact CB-CG2 4.41Å; W173-V177 PolarHBondContact O-N 2.94Å
174	A	90.4	Very high	89.1	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-50.9	-44.8	-175.5	0	0	0	0	0	115	Y170 M178 F499 L558	Y170-A174 PolarHBondContact O-N 3.38Å; A174-M178 VanDerWaalsContact O-CB 3.3Å; A174-M178 WeakPolarHBondContact O-CB 3.47Å; A174-M178 PolarHBondContact O-N 3.2Å; A174-F499 HydrophobicContact CB-CE1 4.34Å; A174-F499 HydrophobicContact CB-CZ 3.81Å; A174-L558 HydrophobicContact CB-CD1 4.09Å; A174-L558 HydrophobicContact CB-CD2 3.63Å
175	P	90.7	Very high	89.6	Confident	16 Å²	16	49.9 Å²	49.9	10%	0.104	26%	0.256	C	S	.	.	H	α-helix	trans	-68.7	-35.7	178	-8.4	21.2	0	0	0	112.5	I113 W173 A179	I113-P175 HydrophobicContact CG2-CG 3.91Å; W173-P175 VanDerWaalsContact C-CD 3.44Å; P175-A179 WeakPolarHBondContact O-CB 3.34Å; P175-A179 PolarHBondContact O-N 2.78Å
176	I	91.9	Very high	90.1	Very high	87 Å²	87	45.5 Å²	45.5	45%	0.446	23%	0.231	S	C	.	.	H	α-helix	trans	-70.4	-45.8	-178.8	-59.4	172.3	0	0	0	109.7	W173 A179 I180	W173-I176 HydrophobicContact CE3-CB 4.46Å; W173-I176 HydrophobicContact CE3-CD1 3.81Å; W173-I176 HydrophobicContact CE3-CG2 4.42Å; W173-I176 HydrophobicContact CZ3-CD1 3.99Å; W173-I176 PolarHBondContact O-N 3.36Å; I176-A179 PolarHBondContact O-N 2.84Å; I176-I180 HydrophobicContact CG2-CD1 4.23Å; I176-I180 WeakPolarHBondContact O-CG1 3.3Å; I176-I180 PolarHBondContact O-N 3.06Å
177	V	92.9	Very high	90.5	Very high	19 Å²	19	45.6 Å²	45.6	12%	0.115	23%	0.231	C	C	.	.	H	α-helix	trans	-56	-53.9	172	164.2	0	0	0	0	109.8	W173 A179 I180 Q181 M495 F499	W173-V177 HydrophobicContact CB-CG2 4.41Å; W173-V177 PolarHBondContact O-N 2.94Å; V177-A179 VanDerWaalsContact C-N 3.27Å; V177-A179 PolarHBondContact O-N 2.81Å; V177-I180 WeakPolarHBondContact O-CA 3.33Å; V177-I180 WeakPolarHBondContact O-CB 3.49Å; V177-I180 PolarHBondContact O-N 3.36Å; V177-Q181 HydrophobicContact CG1-CG 4.31Å; V177-Q181 WeakPolarHBondContact O-CG 3.28Å; V177-Q181 PolarHBondContact O-N 2.85Å; V177-M495 HydrophobicContact CG1-CE 3.91Å; V177-F499 HydrophobicContact CB-CD2 4.47Å; V177-F499 HydrophobicContact CB-CE2 4.19Å; V177-F499 HydrophobicContact CG1-CD2 4.18Å; V177-F499 HydrophobicContact CG1-CE2 4.33Å; V177-F499 HydrophobicContact CG2-CD2 4.01Å; V177-F499 HydrophobicContact CG2-CE2 3.79Å
178	M	92.3	Very high	90.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.4	-33.5	-178.5	-165.8	174.4	-65.4	0	0	113	M106 F109 I110 I113 A174 Q181 A182 I561 Y562 L565	M106-M178 HydrophobicContact CB-CG 4.46Å; M106-M178 HydrophobicContact SD-CG 3.73Å; M106-M178 HydrophobicContact SD-SD 4.31Å; F109-M178 HydrophobicContact CB-CE 4.41Å; F109-M178 HydrophobicContact CB-SD 3.49Å; F109-M178 WeakPolarHBondContact CB-SD 3.37Å; I110-M178 HydrophobicContact CD1-CB 4.32Å; I110-M178 HydrophobicContact CD1-CG 4.16Å; I110-M178 HydrophobicContact CG1-CB 3.86Å; I110-M178 HydrophobicContact CG1-CG 3.73Å; I110-M178 HydrophobicContact CG1-SD 3.88Å; I113-M178 HydrophobicContact CD1-CE 3.63Å; I113-M178 HydrophobicContact CD1-SD 4.06Å; A174-M178 VanDerWaalsContact O-CB 3.3Å; A174-M178 WeakPolarHBondContact O-CB 3.47Å; A174-M178 PolarHBondContact O-N 3.2Å; M178-Q181 PolarHBondContact O-N 3.11Å; M178-A182 WeakPolarHBondContact O-CB 3.44Å; M178-A182 PolarHBondContact O-N 2.88Å; M178-I561 HydrophobicContact CE-CG2 3.83Å; M178-Y562 HydrophobicContact CE-CE2 3.84Å; M178-L565 HydrophobicContact CE-CD1 3.9Å; M178-L565 HydrophobicContact SD-CD1 4.42Å
179	A	92.3	Very high	90.9	Very high	31 Å²	31	40.8 Å²	40.8	26%	0.256	21%	0.206	S	C	.	.	H	α-helix	trans	-65.5	-41.2	171.6	0	0	0	0	0	112.5	I110 P175 I176 V177 A182 M183	I110-A179 HydrophobicContact CD1-CB 4Å; P175-A179 WeakPolarHBondContact O-CB 3.34Å; P175-A179 PolarHBondContact O-N 2.78Å; I176-A179 PolarHBondContact O-N 2.84Å; V177-A179 VanDerWaalsContact C-N 3.27Å; V177-A179 PolarHBondContact O-N 2.81Å; A179-A182 PolarHBondContact O-N 3.01Å; A179-M183 WeakPolarHBondContact O-CG 3.43Å; A179-M183 PolarHBondContact O-N 3.27Å
180	I	93.5	Very high	91.1	Very high	78 Å²	78	42.3 Å²	42.3	40%	0.4	21%	0.209	S	C	.	.	H	α-helix	trans	-63.6	-43.6	173.5	-66.9	163.5	0	0	0	110.4	I176 V177 A182 M183 L184	I176-I180 HydrophobicContact CG2-CD1 4.23Å; I176-I180 WeakPolarHBondContact O-CG1 3.3Å; I176-I180 PolarHBondContact O-N 3.06Å; V177-I180 WeakPolarHBondContact O-CA 3.33Å; V177-I180 WeakPolarHBondContact O-CB 3.49Å; V177-I180 PolarHBondContact O-N 3.36Å; I180-A182 VanDerWaalsContact C-N 3.33Å; I180-A182 PolarHBondContact O-N 3.08Å; I180-M183 PolarHBondContact O-N 2.93Å; I180-L184 HydrophobicContact CG2-CD1 3.99Å; I180-L184 HydrophobicContact CG2-CG 4.39Å; I180-L184 WeakPolarHBondContact O-CG 3.49Å; I180-L184 PolarHBondContact O-N 2.95Å
181	Q	93.6	Very high	91.2	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-58.2	-44.2	175.3	-60.3	-168.8	-67	0	0	111.6	V177 M178 M183 L184 F185 Q492 M495	V177-Q181 HydrophobicContact CG1-CG 4.31Å; V177-Q181 WeakPolarHBondContact O-CG 3.28Å; V177-Q181 PolarHBondContact O-N 2.85Å; M178-Q181 PolarHBondContact O-N 3.11Å; Q181-M183 PolarHBondContact O-N 2.94Å; Q181-L184 PolarHBondContact O-N 3.23Å; Q181-F185 WeakPolarHBondContact O-CD2 3.38Å; Q181-F185 PolarHBondContact O-N 3.1Å; Q181-F185 VanDerWaalsContact O-N 3.11Å; Q181-Q492 VanDerWaalsContact CB-OE1 3.31Å; Q181-M495 HydrophobicContact CG-SD 3.83Å
182	A	92.4	Very high	91.3	Very high	20 Å²	20	42.2 Å²	42.2	17%	0.165	21%	0.211	C	C	.	.	H	α-helix	trans	-61.9	-39.9	175.6	0	0	0	0	0	113	M106 M178 A179 I180 F185 Y186	M106-A182 HydrophobicContact CB-CB 3.73Å; M106-A182 HydrophobicContact CG-CB 4.22Å; M178-A182 WeakPolarHBondContact O-CB 3.44Å; M178-A182 PolarHBondContact O-N 2.88Å; A179-A182 PolarHBondContact O-N 3.01Å; I180-A182 VanDerWaalsContact C-N 3.33Å; I180-A182 PolarHBondContact O-N 3.08Å; A182-F185 PolarHBondContact O-N 3.33Å; A182-Y186 PolarHBondContact O-N 2.84Å
183	M	91.8	Very high	91.2	Very high	136 Å²	136	41.9 Å²	41.9	67%	0.67	21%	0.208	S	C	*	.	H	α-helix	trans	-66.3	-38.8	175	-68.9	-176.3	-164.9	0	0	112.2	A179 I180 Q181 F185 Y186 L187	A179-M183 WeakPolarHBondContact O-CG 3.43Å; A179-M183 PolarHBondContact O-N 3.27Å; I180-M183 PolarHBondContact O-N 2.93Å; Q181-M183 PolarHBondContact O-N 2.94Å; M183-F185 PolarHBondContact O-N 3.28Å; M183-Y186 WeakPolarHBondContact O-CB 3.27Å; M183-Y186 PolarHBondContact O-N 3.24Å; M183-Y186 VanDerWaalsContact O-N 3.08Å; M183-L187 PolarHBondContact O-N 3.4Å
184	L	93.5	Very high	91	Very high	59 Å²	59	37 Å²	37	31%	0.309	19%	0.192	S	C	.	.	H	α-helix	trans	-65.1	-36.1	177.6	-70.8	169.7	0	0	0	112.2	I180 Q181 Y186 L187 P188 N488 Q492	I180-L184 HydrophobicContact CG2-CD1 3.99Å; I180-L184 HydrophobicContact CG2-CG 4.39Å; I180-L184 WeakPolarHBondContact O-CG 3.49Å; I180-L184 PolarHBondContact O-N 2.95Å; Q181-L184 PolarHBondContact O-N 3.23Å; L184-Y186 VanDerWaalsContact C-N 3.25Å; L184-Y186 PolarHBondContact O-N 2.86Å; L184-L187 HydrophobicContact CD2-CD1 4.19Å; L184-L187 WeakPolarHBondContact O-CB 3.27Å; L184-L187 PolarHBondContact O-N 3.31Å; L184-P188 WeakPolarHBondContact O-CD 3.49Å; L184-N488 WeakPolarHBondContact CB-OD1 3.5Å; L184-Q492 VanDerWaalsContact CB-NE2 3.33Å
185	F	92.7	Very high	90.8	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	21%	0.209	C	C	.	.	H	α-helix	trans	-62.1	-28.3	169.9	-89.2	-71.1	0	0	0	114.3	N98 T102 M106 Q181 A182 M183 N488 I489 Q492 H569	N98-F185 HydrophobicContact CB-CD1 4.09Å; N98-F185 WeakPolarHBondContact OD1-CE1 3.38Å; T102-F185 HydrophobicContact CG2-CD1 4.4Å; T102-F185 HydrophobicContact CG2-CD2 3.91Å; T102-F185 HydrophobicContact CG2-CE1 4.17Å; T102-F185 HydrophobicContact CG2-CE2 3.63Å; T102-F185 HydrophobicContact CG2-CG 4.28Å; T102-F185 HydrophobicContact CG2-CZ 3.78Å; M106-F185 HydrophobicContact CE-CE2 4.37Å; Q181-F185 WeakPolarHBondContact O-CD2 3.38Å; Q181-F185 PolarHBondContact O-N 3.1Å; Q181-F185 VanDerWaalsContact O-N 3.11Å; A182-F185 PolarHBondContact O-N 3.33Å; M183-F185 PolarHBondContact O-N 3.28Å; F185-N488 WeakPolarHBondContact CD1-ND2 3.45Å; F185-N488 WeakPolarHBondContact CE1-ND2 3.15Å; F185-I489 HydrophobicContact CE1-CG1 4.02Å; F185-I489 HydrophobicContact CZ-CG1 4.41Å; F185-Q492 HydrophobicContact CD2-CG 4.42Å; F185-Q492 HydrophobicContact CE2-CG 3.74Å; F185-Q492 HydrophobicContact CZ-CG 4.03Å; F185-H569 AromaticContact CE2-CD2 3.89Å; F185-H569 AromaticContact CE2-NE2 3.37Å; F185-H569 WeakPolarHBondContact CE2-NE2 3.27Å; F185-H569 AromaticContact CZ-CD2 3.54Å; F185-H569 AromaticContact CZ-NE2 3.56Å
186	Y	90	Very high	90.5	Very high	75 Å²	75	41 Å²	41	29%	0.294	21%	0.209	S	C	.	.	H	α-helix	trans	-80.6	-22.4	176.6	-165.3	-92.4	0	0	0	113	Y99 A182 M183 L184 C189 L190	Y99-Y186 HydrophobicContact CD2-CD2 4.45Å; Y99-Y186 HydrophobicContact CD2-CE2 4.43Å; A182-Y186 PolarHBondContact O-N 2.84Å; M183-Y186 WeakPolarHBondContact O-CB 3.27Å; M183-Y186 PolarHBondContact O-N 3.24Å; M183-Y186 VanDerWaalsContact O-N 3.08Å; L184-Y186 VanDerWaalsContact C-N 3.25Å; L184-Y186 PolarHBondContact O-N 2.86Å; Y186-C189 WeakPolarHBondContact O-CB 3.15Å; Y186-C189 PolarHBondContact O-N 3.08Å; Y186-L190 HydrophobicContact CD1-CB 4.16Å; Y186-L190 HydrophobicContact CE1-CB 4.16Å; Y186-L190 PolarHBondContact O-N 3.24Å
187	L	91.4	Very high	89.9	Confident	76 Å²	76	39.2 Å²	39.2	40%	0.398	21%	0.207	S	C	.	.	H	α-helix	trans	-60.3	-45.6	-170.2	-171.3	159.8	0	0	0	114	M183 L184 C189 L190 I191	M183-L187 PolarHBondContact O-N 3.4Å; L184-L187 HydrophobicContact CD2-CD1 4.19Å; L184-L187 WeakPolarHBondContact O-CB 3.27Å; L184-L187 PolarHBondContact O-N 3.31Å; L187-C189 VanDerWaalsContact C-N 3.3Å; L187-C189 PolarHBondContact O-N 2.92Å; L187-L190 WeakPolarHBondContact O-CB 3.4Å; L187-L190 PolarHBondContact O-N 3.45Å; L187-I191 HydrophobicContact CD2-CD1 3.57Å; L187-I191 HydrophobicContact CD2-CG1 4.27Å; L187-I191 PolarHBondContact O-N 3.16Å
188	P	91.9	Very high	89.3	Confident	3 Å²	3	42 Å²	42	2%	0.019	22%	0.219	C	C	.	.	H	α-helix	trans	-63.6	-37.6	177.3	-21.8	34.1	0	0	0	112	L184 L190 I191 W192 T481 L484 Y485	L184-P188 WeakPolarHBondContact O-CD 3.49Å; P188-L190 VanDerWaalsContact C-N 3.33Å; P188-L190 PolarHBondContact O-N 2.68Å; P188-I191 PolarHBondContact O-N 3.34Å; P188-W192 PolarHBondContact O-N 3.33Å; P188-T481 HydrophobicContact CB-CG2 4.19Å; P188-L484 HydrophobicContact CB-CB 3.94Å; P188-L484 HydrophobicContact CG-CB 3.97Å; P188-Y485 HydrophobicContact CB-CD1 3.77Å; P188-Y485 HydrophobicContact CB-CD2 4.34Å; P188-Y485 HydrophobicContact CB-CE1 3.66Å; P188-Y485 HydrophobicContact CB-CE2 4.25Å; P188-Y485 HydrophobicContact CB-CG 4.1Å; P188-Y485 HydrophobicContact CG-CD1 3.64Å; P188-Y485 HydrophobicContact CG-CE1 3.82Å; P188-Y485 HydrophobicContact CG-CG 4.23Å
189	C	89.8	Confident	88.7	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.6	-38.2	175.8	-162.8	0	0	0	0	112.3	Y99 Y186 L187 R193 Y485	Y99-C189 HydrophobicContact CD1-CB 3.87Å; Y99-C189 WeakPolarHBondContact CD1-SG 3.25Å; Y99-C189 HydrophobicContact CD2-CB 4.49Å; Y99-C189 VanDerWaalsContact CE1-SG 3.59Å; Y99-C189 HydrophobicContact CG-CB 3.79Å; Y99-C189 VanDerWaalsContact CG-SG 3.57Å; Y186-C189 WeakPolarHBondContact O-CB 3.15Å; Y186-C189 PolarHBondContact O-N 3.08Å; L187-C189 VanDerWaalsContact C-N 3.3Å; L187-C189 PolarHBondContact O-N 2.92Å; C189-R193 WeakPolarHBondContact O-CB 3.41Å; C189-R193 WeakPolarHBondContact O-CD 3.36Å; C189-R193 VanDerWaalsContact O-CG 3.26Å; C189-R193 WeakPolarHBondContact O-CG 3.33Å; C189-R193 PolarHBondContact O-N 3.13Å; C189-R193 VanDerWaalsContact O-N 3.08Å; C189-R193 PolarHBondContact SG-NE 3.02Å; C189-R193 PolarHBondContact SG-NH1 3.11Å; C189-R193 PolarHBondContact SG-NH2 3.38Å; C189-R193 VanDerWaalsContact SG-NH2 3.39Å; C189-Y485 VanDerWaalsContact CB-OH 3.31Å; C189-Y485 WeakPolarHBondContact CB-OH 3.46Å
190	L	88.5	Confident	88.1	Confident	54 Å²	54	42 Å²	42	28%	0.283	22%	0.22	S	C	.	.	H	α-helix	trans	-64.8	-43.6	173.3	179.4	58.4	0	0	0	111.6	Y186 L187 P188 R193 L194 F360	Y186-L190 HydrophobicContact CD1-CB 4.16Å; Y186-L190 HydrophobicContact CE1-CB 4.16Å; Y186-L190 PolarHBondContact O-N 3.24Å; L187-L190 WeakPolarHBondContact O-CB 3.4Å; L187-L190 PolarHBondContact O-N 3.45Å; P188-L190 VanDerWaalsContact C-N 3.33Å; P188-L190 PolarHBondContact O-N 2.68Å; L190-R193 PolarHBondContact O-N 3.09Å; L190-L194 HydrophobicContact CD1-CD1 3.96Å; L190-L194 HydrophobicContact CD1-CG 4.03Å; L190-L194 HydrophobicContact CG-CD1 3.93Å; L190-L194 HydrophobicContact CG-CG 4.43Å; L190-L194 WeakPolarHBondContact O-CB 3.43Å; L190-L194 VanDerWaalsContact O-CG 3.32Å; L190-L194 WeakPolarHBondContact O-CG 3.47Å; L190-L194 PolarHBondContact O-N 2.78Å; L190-F360 HydrophobicContact CD1-CD1 4.14Å; L190-F360 HydrophobicContact CD1-CE1 3.75Å
191	I	89.8	Confident	87.7	Confident	37 Å²	37	38.5 Å²	38.5	19%	0.19	20%	0.202	C	C	.	.	H	α-helix	trans	-58.6	-50.8	175.7	-75.2	176.7	0	0	0	110.8	L187 P188 R193 L194 F195 F480 L484	L187-I191 HydrophobicContact CD2-CD1 3.57Å; L187-I191 HydrophobicContact CD2-CG1 4.27Å; L187-I191 PolarHBondContact O-N 3.16Å; P188-I191 PolarHBondContact O-N 3.34Å; I191-R193 VanDerWaalsContact C-N 3.33Å; I191-R193 PolarHBondContact O-N 3.3Å; I191-L194 PolarHBondContact O-N 2.83Å; I191-F195 HydrophobicContact CG2-CD2 3.93Å; I191-F195 HydrophobicContact CG2-CE2 4.35Å; I191-F195 WeakPolarHBondContact O-CD2 3.42Å; I191-F195 PolarHBondContact O-N 3.34Å; I191-F480 HydrophobicContact CG2-CD1 4.36Å; I191-F480 HydrophobicContact CG2-CE1 4.11Å; I191-L484 HydrophobicContact CD1-CD1 3.66Å; I191-L484 HydrophobicContact CG2-CD1 4.33Å
192	W	90.1	Very high	87.4	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-51	-52.1	174.2	172.6	-116.2	0	0	0	111.6	D90 P188 L194 F195 M196 L474 L477 Y478 T481 F629	D90-W192 PolarHBondContact OD2-NE1 3.1Å; P188-W192 PolarHBondContact O-N 3.33Å; W192-L194 VanDerWaalsContact C-N 3.35Å; W192-L194 PolarHBondContact O-N 3.35Å; W192-F195 PolarHBondContact O-N 3.44Å; W192-M196 WeakPolarHBondContact O-CB 3.39Å; W192-M196 VanDerWaalsContact O-CG 3.26Å; W192-M196 WeakPolarHBondContact O-CG 3.23Å; W192-M196 PolarHBondContact O-N 3.23Å; W192-L474 HydrophobicContact CH2-CD2 3.66Å; W192-L474 HydrophobicContact CZ3-CD2 4.23Å; W192-L477 HydrophobicContact CE3-CD2 3.92Å; W192-L477 HydrophobicContact CE3-CG 3.89Å; W192-L477 HydrophobicContact CZ3-CB 4.41Å; W192-L477 HydrophobicContact CZ3-CD2 4.17Å; W192-L477 HydrophobicContact CZ3-CG 4.17Å; W192-Y478 HydrophobicContact CE3-CD2 4.25Å; W192-Y478 AromaticContact CH2-CD2 3.67Å; W192-Y478 HydrophobicContact CH2-CD2 3.67Å; W192-Y478 HydrophobicContact CH2-CG 4.25Å; W192-Y478 HydrophobicContact CZ2-CD2 4.08Å; W192-Y478 AromaticContact CZ3-CD2 3.79Å; W192-Y478 HydrophobicContact CZ3-CD2 3.79Å; W192-Y478 HydrophobicContact CZ3-CG 4.21Å; W192-T481 HydrophobicContact CB-CG2 3.93Å; W192-F629 HydrophobicContact CH2-CE1 4.26Å; W192-F629 HydrophobicContact CH2-CZ 4.38Å
193	R	85.3	Confident	87.2	Confident	37 Å²	37	40.2 Å²	40.2	14%	0.14	21%	0.209	C	C	.	.	H	α-helix	trans	-68.5	-26.6	-175.7	-71.3	169.3	177.2	161.6	8.6	114.5	D91 Y99 C189 L190 I191 M196	D91-R193 IonicContact OD2-CZ 3.7Å; D91-R193 IonicContact OD2-NH2 2.69Å; D91-R193 PolarHBondContact OD2-NH2 3.28Å; Y99-R193 PolarHBondContact OH-NH2 3.09Å; C189-R193 WeakPolarHBondContact O-CB 3.41Å; C189-R193 WeakPolarHBondContact O-CD 3.36Å; C189-R193 VanDerWaalsContact O-CG 3.26Å; C189-R193 WeakPolarHBondContact O-CG 3.33Å; C189-R193 PolarHBondContact O-N 3.13Å; C189-R193 VanDerWaalsContact O-N 3.08Å; C189-R193 PolarHBondContact SG-NE 3.02Å; C189-R193 PolarHBondContact SG-NH1 3.11Å; C189-R193 PolarHBondContact SG-NH2 3.38Å; C189-R193 VanDerWaalsContact SG-NH2 3.39Å; L190-R193 PolarHBondContact O-N 3.09Å; I191-R193 VanDerWaalsContact C-N 3.33Å; I191-R193 PolarHBondContact O-N 3.3Å; R193-M196 WeakPolarHBondContact O-CG 3.5Å
194	L	85.5	Confident	87	Confident	45 Å²	45	41.3 Å²	41.3	24%	0.236	21%	0.206	C	C	.	.	H	α-helix	trans	-78	-50.9	172.9	-70.8	171.7	0	0	0	111.4	L190 I191 W192 I363	L190-L194 HydrophobicContact CD1-CD1 3.96Å; L190-L194 HydrophobicContact CD1-CG 4.03Å; L190-L194 HydrophobicContact CG-CD1 3.93Å; L190-L194 HydrophobicContact CG-CG 4.43Å; L190-L194 WeakPolarHBondContact O-CB 3.43Å; L190-L194 VanDerWaalsContact O-CG 3.32Å; L190-L194 WeakPolarHBondContact O-CG 3.47Å; L190-L194 PolarHBondContact O-N 2.78Å; I191-L194 PolarHBondContact O-N 2.83Å; W192-L194 VanDerWaalsContact C-N 3.35Å; W192-L194 PolarHBondContact O-N 3.35Å; L194-I363 HydrophobicContact CD1-CG2 4.46Å; L194-I363 HydrophobicContact CD2-CG2 4.05Å
195	F	86.4	Confident	86.7	Confident	80 Å²	80	44.2 Å²	44.2	35%	0.351	21%	0.212	S	C	.	.	H	α-helix	trans	-82.8	-23	-171.9	-72.2	-78.6	0	0	0	114.4	I191 W192 A197 Q198 L477	I191-F195 HydrophobicContact CG2-CD2 3.93Å; I191-F195 HydrophobicContact CG2-CE2 4.35Å; I191-F195 WeakPolarHBondContact O-CD2 3.42Å; I191-F195 PolarHBondContact O-N 3.34Å; W192-F195 PolarHBondContact O-N 3.44Å; F195-A197 PolarHBondContact O-N 3.41Å; F195-Q198 WeakPolarHBondContact O-CB 3.32Å; F195-Q198 PolarHBondContact O-N 3.45Å; F195-L477 HydrophobicContact CB-CD1 3.65Å; F195-L477 HydrophobicContact CB-CD2 3.6Å; F195-L477 HydrophobicContact CB-CG 4.29Å; F195-L477 HydrophobicContact CG-CD1 4.37Å
196	M	84.6	Confident	86.6	Confident	20 Å²	20	44.2 Å²	44.2	10%	0.099	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-52	-35.2	179	60.9	177.1	-72.8	0	0	113.1	W192 R193 Q198 S199 V203 R204 L477	W192-M196 WeakPolarHBondContact O-CB 3.39Å; W192-M196 VanDerWaalsContact O-CG 3.26Å; W192-M196 WeakPolarHBondContact O-CG 3.23Å; W192-M196 PolarHBondContact O-N 3.23Å; R193-M196 WeakPolarHBondContact O-CG 3.5Å; M196-Q198 VanDerWaalsContact C-N 3.27Å; M196-Q198 PolarHBondContact O-N 3.21Å; M196-S199 VanDerWaalsContact O-CB 3.32Å; M196-S199 WeakPolarHBondContact O-CB 3.31Å; M196-S199 PolarHBondContact O-N 3.35Å; M196-S199 PolarHBondContact O-OG 3.38Å; M196-V203 HydrophobicContact CE-CB 3.92Å; M196-R204 HydrophobicContact CE-CB 4.1Å; M196-L477 HydrophobicContact CB-CD2 4.48Å
197	A	79.6	Confident	86.6	Confident	49 Å²	49	40.7 Å²	40.7	41%	0.405	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-68.9	-24.1	-178.6	0	0	0	0	0	113	F195 S199	F195-A197 PolarHBondContact O-N 3.41Å; A197-S199 PolarHBondContact O-N 3.03Å
198	Q	80.2	Confident	86.5	Confident	79 Å²	79	41.3 Å²	41.3	37%	0.369	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-75.5	-11.5	178.9	-59.6	-168.1	0.4	0	0	113.5	F195 M196 G200 K468 F473	F195-Q198 WeakPolarHBondContact O-CB 3.32Å; F195-Q198 PolarHBondContact O-N 3.45Å; M196-Q198 VanDerWaalsContact C-N 3.27Å; M196-Q198 PolarHBondContact O-N 3.21Å; Q198-G200 PolarHBondContact O-N 3.32Å; Q198-K468 WeakPolarHBondContact O-CE 3.09Å; Q198-K468 PolarHBondContact O-NZ 3.03Å; Q198-K468 VanDerWaalsContact O-NZ 3.09Å; Q198-F473 HydrophobicContact CB-CE1 4.26Å; Q198-F473 HydrophobicContact CB-CZ 3.95Å
199	S	80	Confident	86.4	Confident	7 Å²	7	43.8 Å²	43.8	5%	0.049	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-64.8	-25.7	177	68.3	0	0	0	0	113.5	M196 A197 F201 Q239	M196-S199 VanDerWaalsContact O-CB 3.32Å; M196-S199 WeakPolarHBondContact O-CB 3.31Å; M196-S199 PolarHBondContact O-N 3.35Å; M196-S199 PolarHBondContact O-OG 3.38Å; A197-S199 PolarHBondContact O-N 3.03Å; S199-F201 VanDerWaalsContact C-N 3.28Å; S199-F201 PolarHBondContact OG-N 3.17Å; S199-F201 VanDerWaalsContact OG-N 3.08Å; S199-F201 PolarHBondContact OG-O 3.08Å; S199-Q239 PolarHBondContact O-NE2 2.93Å
200	G	79.2	Confident	86.4	Confident	23 Å²	23	43.8 Å²	43.8	24%	0.237	21%	0.211	C	C	.	.	S	Bend	trans	85.3	-8.3	-169.9	0	0	0	0	0	114.5	Q198 R238	Q198-G200 PolarHBondContact O-N 3.32Å; G200-R238 PolarHBondContact O-NH2 2.87Å
201	F	84.5	Confident	86.4	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.018	21%	0.207	C	C	.	.			trans	-93.8	136.8	164.8	-71.3	-81.8	0	0	0	109.9	S199 V203 I206 C235 I236 L474 D626 L630	S199-F201 VanDerWaalsContact C-N 3.28Å; S199-F201 PolarHBondContact OG-N 3.17Å; S199-F201 VanDerWaalsContact OG-N 3.08Å; S199-F201 PolarHBondContact OG-O 3.08Å; F201-V203 HydrophobicContact CB-CG2 4.18Å; F201-V203 PolarHBondContact O-N 2.72Å; F201-I206 HydrophobicContact CD1-CD1 4.17Å; F201-C235 HydrophobicContact CD1-CB 3.42Å; F201-C235 VanDerWaalsContact CD1-CB 3.42Å; F201-C235 HydrophobicContact CE1-CB 3.4Å; F201-C235 VanDerWaalsContact CE1-CB 3.4Å; F201-C235 HydrophobicContact CG-CB 4.24Å; F201-C235 HydrophobicContact CZ-CB 4.21Å; F201-I236 HydrophobicContact CE1-CG1 4.13Å; F201-I236 HydrophobicContact CZ-CG1 3.78Å; F201-L474 HydrophobicContact CB-CD1 4.38Å; F201-L474 HydrophobicContact CD2-CD1 4.28Å; F201-D626 HydrophobicContact CE2-CB 4.11Å; F201-L630 HydrophobicContact CD1-CD2 4.09Å; F201-L630 HydrophobicContact CE1-CD2 4.46Å
202	N	87	Confident	86.3	Confident	57 Å²	57	44.7 Å²	44.7	31%	0.305	22%	0.219	S	C	.	.			trans	-92.8	76	168.6	-167.8	-26.6	0	0	0	109.1	R204 R205 I206	N202-R204 VanDerWaalsContact C-N 3.28Å; N202-R204 PolarHBondContact O-N 3.3Å; N202-R205 HydrophobicContact CB-CB 3.98Å; N202-R205 WeakPolarHBondContact O-CB 3.15Å; N202-R205 PolarHBondContact O-N 2.86Å; N202-R205 WeakPolarHBondContact OD1-CB 3.31Å; N202-R205 PolarHBondContact OD1-N 3.27Å; N202-R205 VanDerWaalsContact OD1-N 3.16Å; N202-I206 WeakPolarHBondContact O-CG1 3.41Å; N202-I206 PolarHBondContact O-N 2.91Å
203	V	88.8	Confident	86.2	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-50.8	-47.2	-174	-179.2	0	0	0	0	111.5	D90 M196 F201 R205 I206 L207 L474 L630 L633	D90-V203 HydrophobicContact CB-CG1 4.3Å; M196-V203 HydrophobicContact CE-CB 3.92Å; F201-V203 HydrophobicContact CB-CG2 4.18Å; F201-V203 PolarHBondContact O-N 2.72Å; V203-R205 PolarHBondContact O-N 2.96Å; V203-I206 PolarHBondContact O-N 3.44Å; V203-L207 HydrophobicContact CG1-CD1 3.53Å; V203-L207 HydrophobicContact CG1-CG 4.47Å; V203-L207 WeakPolarHBondContact O-CD1 3.46Å; V203-L207 WeakPolarHBondContact O-CG 3.29Å; V203-L207 PolarHBondContact O-N 2.85Å; V203-L474 HydrophobicContact CG2-CD1 3.62Å; V203-L474 HydrophobicContact CG2-CG 4.25Å; V203-L630 HydrophobicContact CG1-CD1 4.04Å; V203-L633 HydrophobicContact CG1-CD2 4.02Å
204	R	87.1	Confident	86.1	Confident	160 Å²	160	47.1 Å²	47.1	60%	0.604	24%	0.235	S	C	*	.	H	α-helix	trans	-56.3	-45.5	175.8	-169.6	-175.5	78.5	-170.9	5.4	112.9	M196 N202 Q208	M196-R204 HydrophobicContact CE-CB 4.1Å; N202-R204 VanDerWaalsContact C-N 3.28Å; N202-R204 PolarHBondContact O-N 3.3Å; R204-Q208 VanDerWaalsContact O-CB 3.27Å; R204-Q208 WeakPolarHBondContact O-CB 3.18Å; R204-Q208 PolarHBondContact O-N 3.02Å
205	R	87.8	Confident	85.9	Confident	120 Å²	120	50.9 Å²	50.9	45%	0.453	26%	0.259	S	S	.	.	H	α-helix	trans	-64.4	-42.9	178.2	176.9	-179.9	-71.9	-174.8	-4.3	111.3	N202 V203 M209	N202-R205 HydrophobicContact CB-CB 3.98Å; N202-R205 WeakPolarHBondContact O-CB 3.15Å; N202-R205 PolarHBondContact O-N 2.86Å; N202-R205 WeakPolarHBondContact OD1-CB 3.31Å; N202-R205 PolarHBondContact OD1-N 3.27Å; N202-R205 VanDerWaalsContact OD1-N 3.16Å; V203-R205 PolarHBondContact O-N 2.96Å; R205-M209 HydrophobicContact CG-CE 3.79Å; R205-M209 HydrophobicContact CG-CG 4.4Å; R205-M209 HydrophobicContact CG-SD 3.68Å; R205-M209 WeakPolarHBondContact O-CB 3.37Å; R205-M209 VanDerWaalsContact O-CG 3.26Å; R205-M209 WeakPolarHBondContact O-CG 3.41Å; R205-M209 PolarHBondContact O-N 3.44Å
206	I	91	Very high	85.6	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-65.4	-50.6	-177.5	-64.4	169.3	0	0	0	109.9	F201 N202 V203 Q208 M209 S210 I228 Y231 M232 L630 I634	F201-I206 HydrophobicContact CD1-CD1 4.17Å; N202-I206 WeakPolarHBondContact O-CG1 3.41Å; N202-I206 PolarHBondContact O-N 2.91Å; V203-I206 PolarHBondContact O-N 3.44Å; I206-Q208 PolarHBondContact O-N 2.97Å; I206-M209 PolarHBondContact O-N 3.18Å; I206-S210 PolarHBondContact O-N 3.18Å; I206-S210 PolarHBondContact O-OG 3.29Å; I206-I228 HydrophobicContact CG2-CG2 4.07Å; I206-Y231 HydrophobicContact CD1-CD1 4.03Å; I206-Y231 HydrophobicContact CD1-CE1 3.85Å; I206-Y231 HydrophobicContact CG1-CD1 3.75Å; I206-Y231 HydrophobicContact CG1-CE1 3.63Å; I206-M232 HydrophobicContact CD1-CG 3.99Å; I206-M232 HydrophobicContact CG2-CG 4.42Å; I206-M232 HydrophobicContact CG2-SD 4.17Å; I206-L630 HydrophobicContact CD1-CD2 3.66Å; I206-L630 HydrophobicContact CG2-CD1 4.42Å; I206-L630 HydrophobicContact CG2-CD2 4.17Å; I206-L630 HydrophobicContact CG2-CG 4.43Å; I206-I634 HydrophobicContact CG2-CD1 4.04Å
207	L	90.2	Very high	85.5	Confident	2 Å²	2	56 Å²	56	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-63.6	-38.3	178.4	-70.5	156.9	0	0	0	112.9	F89 D90 V203 S210 C211 L633 I634	F89-L207 HydrophobicContact CB-CB 4.13Å; F89-L207 WeakPolarHBondContact O-CD1 3.26Å; D90-L207 HydrophobicContact CB-CD1 3.64Å; V203-L207 HydrophobicContact CG1-CD1 3.53Å; V203-L207 HydrophobicContact CG1-CG 4.47Å; V203-L207 WeakPolarHBondContact O-CD1 3.46Å; V203-L207 WeakPolarHBondContact O-CG 3.29Å; V203-L207 PolarHBondContact O-N 2.85Å; L207-S210 PolarHBondContact O-N 3.35Å; L207-C211 WeakPolarHBondContact O-CB 3.49Å; L207-C211 PolarHBondContact O-N 3.31Å; L207-L633 HydrophobicContact CD1-CD2 3.82Å; L207-L633 HydrophobicContact CD1-CG 4.18Å; L207-L633 HydrophobicContact CD2-CG 4.1Å; L207-I634 HydrophobicContact CD2-CB 4.44Å; L207-I634 HydrophobicContact CD2-CG1 3.65Å
208	Q	89.2	Confident	85.5	Confident	88 Å²	88	58.3 Å²	58.3	41%	0.411	30%	0.301	S	S	.	.	H	α-helix	trans	-64	-49.2	174.7	-161.5	-157.6	-55.3	0	0	110.6	R204 I206 S210 C211 D212	R204-Q208 VanDerWaalsContact O-CB 3.27Å; R204-Q208 WeakPolarHBondContact O-CB 3.18Å; R204-Q208 PolarHBondContact O-N 3.02Å; I206-Q208 PolarHBondContact O-N 2.97Å; Q208-S210 PolarHBondContact O-N 3.14Å; Q208-C211 PolarHBondContact O-N 3.39Å; Q208-C211 VanDerWaalsContact O-N 3.1Å; Q208-D212 PolarHBondContact NE2-OD2 3.07Å; Q208-D212 WeakPolarHBondContact O-CB 3.28Å; Q208-D212 PolarHBondContact O-N 3.47Å
209	M	89.6	Confident	85.5	Confident	56 Å²	56	60.7 Å²	60.7	28%	0.276	31%	0.312	S	S	.	.	H	α-helix	trans	-59.5	-33.7	174.7	-72.8	171.1	165.3	0	0	112.8	R205 I206 S213 F227 I228	R205-M209 HydrophobicContact CG-CE 3.79Å; R205-M209 HydrophobicContact CG-CG 4.4Å; R205-M209 HydrophobicContact CG-SD 3.68Å; R205-M209 WeakPolarHBondContact O-CB 3.37Å; R205-M209 VanDerWaalsContact O-CG 3.26Å; R205-M209 WeakPolarHBondContact O-CG 3.41Å; R205-M209 PolarHBondContact O-N 3.44Å; I206-M209 PolarHBondContact O-N 3.18Å; M209-S213 WeakPolarHBondContact O-CB 3.44Å; M209-S213 PolarHBondContact O-N 3.25Å; M209-S213 VanDerWaalsContact O-N 3.13Å; M209-S213 PolarHBondContact O-OG 3.2Å; M209-F227 HydrophobicContact CE-CE1 3.92Å; M209-F227 HydrophobicContact SD-CE1 4.07Å; M209-I228 HydrophobicContact CB-CD1 3.93Å; M209-I228 HydrophobicContact CB-CG1 3.94Å
210	S	90.2	Very high	85.7	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-67.3	-44.2	173.6	-67.4	0	0	0	0	112.1	I206 L207 Q208 S213 N214 V638	I206-S210 PolarHBondContact O-N 3.18Å; I206-S210 PolarHBondContact O-OG 3.29Å; L207-S210 PolarHBondContact O-N 3.35Å; Q208-S210 PolarHBondContact O-N 3.14Å; S210-S213 PolarHBondContact O-N 3.3Å; S210-N214 PolarHBondContact O-N 2.58Å; S210-V638 WeakPolarHBondContact O-CG1 3.38Å
211	C	88	Confident	86	Confident	28 Å²	28	64.7 Å²	64.7	19%	0.189	32%	0.324	C	S	.	.	H	α-helix	trans	-67.2	-45.6	176.6	-171.8	0	0	0	0	112.2	F89 L207 Q208 S213 N214 V638	F89-C211 HydrophobicContact CD2-CB 4.13Å; F89-C211 HydrophobicContact CE2-CB 3.93Å; F89-C211 VanDerWaalsContact CE2-SG 3.53Å; F89-C211 HydrophobicContact CZ-CB 4.39Å; F89-C211 WeakPolarHBondContact CZ-SG 3.22Å; L207-C211 WeakPolarHBondContact O-CB 3.49Å; L207-C211 PolarHBondContact O-N 3.31Å; Q208-C211 PolarHBondContact O-N 3.39Å; Q208-C211 VanDerWaalsContact O-N 3.1Å; C211-S213 PolarHBondContact O-N 2.99Å; C211-N214 WeakPolarHBondContact O-CB 3.37Å; C211-N214 PolarHBondContact O-N 3.29Å; C211-V638 HydrophobicContact CB-CG2 4.3Å
212	D	88	Confident	86.2	Confident	82 Å²	82	68.1 Å²	68.1	44%	0.439	34%	0.341	S	S	.	.	H	α-helix	trans	-60.6	-30.6	178.7	-62.6	-19	0	0	0	110.8	Q208	Q208-D212 PolarHBondContact NE2-OD2 3.07Å; Q208-D212 WeakPolarHBondContact O-CB 3.28Å; Q208-D212 PolarHBondContact O-N 3.47Å
213	S	88.3	Confident	86.3	Confident	1 Å²	1	71.4 Å²	71.4	1%	0.007	35%	0.353	C	S	.	.	H	α-helix	trans	-72.8	-26.4	173.1	-59.3	0	0	0	0	114.5	M209 S210 C211 V215 L216 T221 N224	M209-S213 WeakPolarHBondContact O-CB 3.44Å; M209-S213 PolarHBondContact O-N 3.25Å; M209-S213 VanDerWaalsContact O-N 3.13Å; M209-S213 PolarHBondContact O-OG 3.2Å; S210-S213 PolarHBondContact O-N 3.3Å; C211-S213 PolarHBondContact O-N 2.99Å; S213-V215 PolarHBondContact O-N 3.29Å; S213-L216 PolarHBondContact O-N 2.78Å; S213-T221 WeakPolarHBondContact O-CG2 3.44Å; S213-T221 PolarHBondContact O-OG1 3.27Å; S213-N224 WeakPolarHBondContact OG-CB 3.42Å; S213-N224 PolarHBondContact OG-ND2 3.17Å
214	N	82.7	Confident	86.5	Confident	88 Å²	88	74.3 Å²	74.3	47%	0.471	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-7.7	-176.8	-155.6	31.9	0	0	0	113.1	S210 C211 V638	S210-N214 PolarHBondContact O-N 2.58Å; C211-N214 WeakPolarHBondContact O-CB 3.37Å; C211-N214 PolarHBondContact O-N 3.29Å; N214-V638 HydrophobicContact CB-CG1 3.94Å; N214-V638 PolarHBondContact ND2-O 3.26Å; N214-V638 VanDerWaalsContact ND2-O 3.09Å
215	V	80.5	Confident	86.8	Confident	125 Å²	125	66.7 Å²	66.7	76%	0.758	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-6.5	177.9	-172.3	0	0	0	0	111.6	S213	S213-V215 PolarHBondContact O-N 3.29Å
216	L	80.7	Confident	87	Confident	77 Å²	77	66.7 Å²	66.7	40%	0.403	34%	0.34	S	S	.	.	S	Bend	trans	-94.4	157.1	-176.1	-72.1	169.4	0	0	0	112.8	S213 H220 T221 N224	S213-L216 PolarHBondContact O-N 2.78Å; L216-H220 HydrophobicContact CB-CB 4.14Å; L216-H220 HydrophobicContact CD1-CB 4.33Å; L216-T221 PolarHBondContact O-OG1 3.19Å; L216-T221 VanDerWaalsContact O-OG1 3.09Å; L216-N224 WeakPolarHBondContact CD1-ND2 3.39Å
217	L	81.9	Confident	87.1	Confident	130 Å²	130	72.4 Å²	72.4	68%	0.681	37%	0.365	S	S	*	.			trans	-60.6	143.5	169.6	-76.6	75.8	0	0	0	109.9	E219 H220 T221	L217-E219 VanDerWaalsContact C-N 3.27Å; L217-E219 PolarHBondContact O-N 2.86Å; L217-H220 WeakPolarHBondContact O-CA 3.3Å; L217-H220 WeakPolarHBondContact O-CB 3.41Å; L217-H220 PolarHBondContact O-N 2.8Å; L217-T221 PolarHBondContact O-N 3.39Å; L217-T221 VanDerWaalsContact O-N 3.09Å; L217-T221 PolarHBondContact O-OG1 3.18Å
218	P	80.3	Confident	87.3	Confident	98 Å²	98	72.4 Å²	72.4	64%	0.636	37%	0.365	S	S	*	.	H	α-helix	trans	-56.2	-33.7	-165.8	17.7	-31.9	0	0	0	114.8	H220 T221 M222	P218-H220 VanDerWaalsContact C-N 3.3Å; P218-H220 PolarHBondContact O-N 3.26Å; P218-T221 WeakPolarHBondContact O-CB 3.49Å; P218-T221 PolarHBondContact O-N 2.99Å; P218-M222 WeakPolarHBondContact O-CG 3.3Å; P218-M222 PolarHBondContact O-N 3.04Å
219	E	79.8	Confident	87.5	Confident	129 Å²	129	68.2 Å²	68.2	60%	0.603	35%	0.345	S	S	*	.	H	α-helix	trans	-64.1	-32.1	175.9	-60.9	-162.4	165.4	0	0	114	L217 K223	L217-E219 VanDerWaalsContact C-N 3.27Å; L217-E219 PolarHBondContact O-N 2.86Å; E219-K223 WeakPolarHBondContact O-CD 2.87Å; E219-K223 WeakPolarHBondContact O-CE 3.39Å; E219-K223 WeakPolarHBondContact O-CG 3.33Å
220	H	84.4	Confident	87.7	Confident	99 Å²	99	73.3 Å²	73.3	46%	0.458	36%	0.361	S	S	.	.	H	α-helix	trans	-81.2	-37.7	174.8	-70.2	-99	0	0	0	110.5	L216 L217 P218 M222 K223 N224	L216-H220 HydrophobicContact CB-CB 4.14Å; L216-H220 HydrophobicContact CD1-CB 4.33Å; L217-H220 WeakPolarHBondContact O-CA 3.3Å; L217-H220 WeakPolarHBondContact O-CB 3.41Å; L217-H220 PolarHBondContact O-N 2.8Å; P218-H220 VanDerWaalsContact C-N 3.3Å; P218-H220 PolarHBondContact O-N 3.26Å; H220-M222 VanDerWaalsContact C-N 3.35Å; H220-M222 PolarHBondContact O-N 3.1Å; H220-K223 PolarHBondContact O-N 3.16Å; H220-N224 PolarHBondContact O-N 3.05Å
221	T	86.1	Confident	87.9	Confident	15 Å²	15	76.1 Å²	76.1	9%	0.092	37%	0.372	C	S	.	.	H	α-helix	trans	-54.2	-48.8	173.1	-49.3	0	0	0	0	111.1	S213 L216 L217 P218 K223 N224 V225 M642	S213-T221 WeakPolarHBondContact O-CG2 3.44Å; S213-T221 PolarHBondContact O-OG1 3.27Å; L216-T221 PolarHBondContact O-OG1 3.19Å; L216-T221 VanDerWaalsContact O-OG1 3.09Å; L217-T221 PolarHBondContact O-N 3.39Å; L217-T221 VanDerWaalsContact O-N 3.09Å; L217-T221 PolarHBondContact O-OG1 3.18Å; P218-T221 WeakPolarHBondContact O-CB 3.49Å; P218-T221 PolarHBondContact O-N 2.99Å; T221-K223 PolarHBondContact O-N 2.95Å; T221-N224 CarbonylContact O-C 3.57Å; T221-N224 PolarHBondContact O-N 3.01Å; T221-N224 VanDerWaalsContact O-N 3.11Å; T221-V225 HydrophobicContact CG2-CG2 4.37Å; T221-V225 VanDerWaalsContact O-CG2 3.3Å; T221-V225 WeakPolarHBondContact O-CG2 3.47Å; T221-V225 PolarHBondContact O-N 2.65Å; T221-M642 HydrophobicContact CG2-SD 4.31Å
222	M	88.1	Confident	88.1	Confident	76 Å²	76	74.8 Å²	74.8	37%	0.374	36%	0.363	S	S	.	.	H	α-helix	trans	-61	-39.4	178.2	-69.5	-57.1	103.4	0	0	113.6	P218 H220 N224 V225 R226 D645	P218-M222 WeakPolarHBondContact O-CG 3.3Å; P218-M222 PolarHBondContact O-N 3.04Å; H220-M222 VanDerWaalsContact C-N 3.35Å; H220-M222 PolarHBondContact O-N 3.1Å; M222-N224 VanDerWaalsContact C-N 3.31Å; M222-N224 PolarHBondContact O-N 3.43Å; M222-V225 HydrophobicContact CE-CG2 4.12Å; M222-V225 PolarHBondContact O-N 3.11Å; M222-R226 PolarHBondContact O-N 3.04Å; M222-D645 HydrophobicContact CE-CB 3.99Å; M222-D645 WeakPolarHBondContact CE-OD2 3.4Å
223	K	90.4	Very high	88.3	Confident	126 Å²	126	72.2 Å²	72.2	55%	0.548	35%	0.349	S	S	.	.	H	α-helix	trans	-62.8	-39.9	175.7	-67.5	163.1	-171	159.1	0	110.7	E219 H220 T221 F227	E219-K223 WeakPolarHBondContact O-CD 2.87Å; E219-K223 WeakPolarHBondContact O-CE 3.39Å; E219-K223 WeakPolarHBondContact O-CG 3.33Å; H220-K223 PolarHBondContact O-N 3.16Å; T221-K223 PolarHBondContact O-N 2.95Å; K223-F227 PolarHBondContact O-N 2.85Å
224	N	91.5	Very high	88.3	Confident	60 Å²	60	74.2 Å²	74.2	32%	0.321	37%	0.37	S	S	.	.	H	α-helix	trans	-73.1	-39.7	176.2	-68.1	-0.3	0	0	0	113.1	S213 L216 H220 T221 M222 R226 F227 I228	S213-N224 WeakPolarHBondContact OG-CB 3.42Å; S213-N224 PolarHBondContact OG-ND2 3.17Å; L216-N224 WeakPolarHBondContact CD1-ND2 3.39Å; H220-N224 PolarHBondContact O-N 3.05Å; T221-N224 CarbonylContact O-C 3.57Å; T221-N224 PolarHBondContact O-N 3.01Å; T221-N224 VanDerWaalsContact O-N 3.11Å; M222-N224 VanDerWaalsContact C-N 3.31Å; M222-N224 PolarHBondContact O-N 3.43Å; N224-R226 VanDerWaalsContact C-N 3.3Å; N224-R226 PolarHBondContact O-N 2.9Å; N224-F227 WeakPolarHBondContact O-CB 3.46Å; N224-F227 PolarHBondContact O-N 3.16Å; N224-F227 VanDerWaalsContact O-N 3.1Å; N224-I228 VanDerWaalsContact O-CG1 3.3Å; N224-I228 WeakPolarHBondContact O-CG1 3.39Å; N224-I228 PolarHBondContact O-N 3.26Å
225	V	93.4	Very high	88.6	Confident	1 Å²	1	70.3 Å²	70.3	1%	0.006	35%	0.349	C	S	.	.	H	α-helix	trans	-55.1	-47.8	173.5	173.5	0	0	0	0	110	T221 M222 F227 I228 A229 M642 D645 L646 E649	T221-V225 HydrophobicContact CG2-CG2 4.37Å; T221-V225 VanDerWaalsContact O-CG2 3.3Å; T221-V225 WeakPolarHBondContact O-CG2 3.47Å; T221-V225 PolarHBondContact O-N 2.65Å; M222-V225 HydrophobicContact CE-CG2 4.12Å; M222-V225 PolarHBondContact O-N 3.11Å; V225-F227 VanDerWaalsContact C-N 3.32Å; V225-F227 PolarHBondContact O-N 3.24Å; V225-I228 PolarHBondContact O-N 2.69Å; V225-A229 WeakPolarHBondContact O-CB 3.49Å; V225-A229 PolarHBondContact O-N 2.8Å; V225-M642 HydrophobicContact CG2-CE 3.56Å; V225-M642 HydrophobicContact CG2-SD 3.52Å; V225-M642 VanDerWaalsContact CG2-SD 3.52Å; V225-D645 HydrophobicContact CG1-CB 4.02Å; V225-D645 HydrophobicContact CG2-CB 4.14Å; V225-L646 HydrophobicContact CG1-CB 4.26Å; V225-E649 HydrophobicContact CG1-CB 4.32Å; V225-E649 HydrophobicContact CG1-CG 3.98Å
226	R	93.4	Very high	88.9	Confident	120 Å²	120	64.8 Å²	64.8	45%	0.453	32%	0.315	S	S	.	.	H	α-helix	trans	-61.3	-36.8	176.6	-176.3	166.8	-66.4	157.1	6.6	113	M222 N224 R230 E649	M222-R226 PolarHBondContact O-N 3.04Å; N224-R226 VanDerWaalsContact C-N 3.3Å; N224-R226 PolarHBondContact O-N 2.9Å; R226-R230 WeakPolarHBondContact O-CG 3.38Å; R226-R230 PolarHBondContact O-N 3.1Å; R226-R230 VanDerWaalsContact O-N 3.09Å; R226-E649 WeakPolarHBondContact CB-OE2 3.4Å; R226-E649 WeakPolarHBondContact CG-OE2 3.47Å; R226-E649 IonicContact CZ-OE1 3.79Å; R226-E649 IonicContact CZ-OE2 3.55Å; R226-E649 IonicContact NE-OE1 3.36Å; R226-E649 PolarHBondContact NE-OE1 2.88Å; R226-E649 IonicContact NE-OE2 3.99Å; R226-E649 PolarHBondContact NE-OE2 2.91Å; R226-E649 IonicContact NH2-OE1 2.78Å; R226-E649 PolarHBondContact NH2-OE1 3.45Å; R226-E649 IonicContact NH2-OE2 2.65Å
227	F	93.4	Very high	89.1	Confident	120 Å²	120	67.1 Å²	67.1	53%	0.526	32%	0.319	S	S	.	.	H	α-helix	trans	-66.2	-44.5	172.9	-179.8	-94.3	0	0	0	112.1	M209 K223 N224 V225 R230 Y231	M209-F227 HydrophobicContact CE-CE1 3.92Å; M209-F227 HydrophobicContact SD-CE1 4.07Å; K223-F227 PolarHBondContact O-N 2.85Å; N224-F227 WeakPolarHBondContact O-CB 3.46Å; N224-F227 PolarHBondContact O-N 3.16Å; N224-F227 VanDerWaalsContact O-N 3.1Å; V225-F227 VanDerWaalsContact C-N 3.32Å; V225-F227 PolarHBondContact O-N 3.24Å; F227-R230 PolarHBondContact O-N 3.16Å; F227-Y231 WeakPolarHBondContact O-CB 3.17Å; F227-Y231 PolarHBondContact O-N 3.31Å
228	I	93.6	Very high	89	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-63.7	-41.7	176.9	-64	160.9	0	0	0	110.7	I206 M209 N224 V225 Y231 M232 M642 L646	I206-I228 HydrophobicContact CG2-CG2 4.07Å; M209-I228 HydrophobicContact CB-CD1 3.93Å; M209-I228 HydrophobicContact CB-CG1 3.94Å; N224-I228 VanDerWaalsContact O-CG1 3.3Å; N224-I228 WeakPolarHBondContact O-CG1 3.39Å; N224-I228 PolarHBondContact O-N 3.26Å; V225-I228 PolarHBondContact O-N 2.69Å; I228-Y231 PolarHBondContact O-N 3.4Å; I228-M232 HydrophobicContact CG2-SD 4.36Å; I228-M232 WeakPolarHBondContact O-CB 3.49Å; I228-M232 PolarHBondContact O-N 3.48Å; I228-M642 HydrophobicContact CD1-CE 3.66Å; I228-L646 HydrophobicContact CB-CD1 4.31Å; I228-L646 HydrophobicContact CG2-CD1 3.86Å; I228-L646 HydrophobicContact CG2-CD2 4.17Å
229	A	94.5	Very high	88.8	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.3	-48.2	176.4	0	0	0	0	0	111.8	V225 Y231 M232 E233 L646 E649 L650 I653	V225-A229 WeakPolarHBondContact O-CB 3.49Å; V225-A229 PolarHBondContact O-N 2.8Å; A229-Y231 PolarHBondContact O-N 3.24Å; A229-M232 PolarHBondContact O-N 2.97Å; A229-E233 WeakPolarHBondContact O-CB 3.33Å; A229-E233 PolarHBondContact O-N 2.92Å; A229-L646 HydrophobicContact CB-CD1 3.92Å; A229-E649 HydrophobicContact CB-CB 3.84Å; A229-L650 HydrophobicContact CB-CD2 4.06Å; A229-L650 HydrophobicContact CB-CG 4.06Å; A229-L650 WeakPolarHBondContact O-CD2 3.28Å; A229-I653 HydrophobicContact CB-CD1 3.92Å
230	R	93.9	Very high	88.5	Confident	162 Å²	162	63.8 Å²	63.8	61%	0.611	28%	0.281	S	S	*	.	H	α-helix	trans	-63.7	-37.4	174.6	-72.8	175.7	175.2	-175.9	-3	112.6	R226 F227 E233 G234 I653	R226-R230 WeakPolarHBondContact O-CG 3.38Å; R226-R230 PolarHBondContact O-N 3.1Å; R226-R230 VanDerWaalsContact O-N 3.09Å; F227-R230 PolarHBondContact O-N 3.16Å; R230-E233 PolarHBondContact O-N 3.37Å; R230-G234 PolarHBondContact O-N 3.02Å; R230-I653 HydrophobicContact CG-CD1 4.23Å
231	Y	93	Very high	87.8	Confident	59 Å²	59	60.8 Å²	60.8	23%	0.231	27%	0.268	C	S	.	.	H	α-helix	trans	-66.7	-41.7	175.1	-177.9	-98.3	0	0	0	112.1	I206 F227 I228 A229 G234 C235	I206-Y231 HydrophobicContact CD1-CD1 4.03Å; I206-Y231 HydrophobicContact CD1-CE1 3.85Å; I206-Y231 HydrophobicContact CG1-CD1 3.75Å; I206-Y231 HydrophobicContact CG1-CE1 3.63Å; F227-Y231 WeakPolarHBondContact O-CB 3.17Å; F227-Y231 PolarHBondContact O-N 3.31Å; I228-Y231 PolarHBondContact O-N 3.4Å; A229-Y231 PolarHBondContact O-N 3.24Å; Y231-G234 PolarHBondContact O-N 2.85Å; Y231-C235 PolarHBondContact O-N 3.13Å; Y231-C235 VanDerWaalsContact O-N 3.11Å
232	M	92.6	Very high	86.5	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.1	-42.8	173.4	-81.5	-178	57.4	0	0	112.2	I206 I228 A229 G234 C235 I236 L630 I631 L646 L650	I206-M232 HydrophobicContact CD1-CG 3.99Å; I206-M232 HydrophobicContact CG2-CG 4.42Å; I206-M232 HydrophobicContact CG2-SD 4.17Å; I228-M232 HydrophobicContact CG2-SD 4.36Å; I228-M232 WeakPolarHBondContact O-CB 3.49Å; I228-M232 PolarHBondContact O-N 3.48Å; A229-M232 PolarHBondContact O-N 2.97Å; M232-G234 PolarHBondContact O-N 3.01Å; M232-C235 WeakPolarHBondContact O-CB 3.32Å; M232-C235 PolarHBondContact O-N 3.34Å; M232-I236 VanDerWaalsContact O-CG1 3.31Å; M232-I236 WeakPolarHBondContact O-CG1 3.47Å; M232-I236 PolarHBondContact O-N 2.95Å; M232-L630 HydrophobicContact CE-CD2 4.03Å; M232-L630 HydrophobicContact CE-CG 4.45Å; M232-L630 HydrophobicContact CG-CD2 4.37Å; M232-L630 HydrophobicContact SD-CD2 4.09Å; M232-I631 HydrophobicContact CE-CG1 4.24Å; M232-L646 HydrophobicContact SD-CD1 4.21Å; M232-L646 HydrophobicContact SD-CD2 3.87Å; M232-L646 HydrophobicContact SD-CG 4.38Å; M232-L650 HydrophobicContact CB-CD2 4.29Å; M232-L650 HydrophobicContact CE-CD1 3.78Å; M232-L650 HydrophobicContact SD-CD1 4.39Å
233	E	91.5	Very high	85.2	Confident	29 Å²	29	69.6 Å²	69.6	14%	0.136	30%	0.297	C	S	.	.	H	α-helix	trans	-56.2	-48.4	172.6	178.4	-178.3	-144.7	0	0	111.4	A229 R230 C235 I236 Y237 I653 K657	A229-E233 WeakPolarHBondContact O-CB 3.33Å; A229-E233 PolarHBondContact O-N 2.92Å; R230-E233 PolarHBondContact O-N 3.37Å; E233-C235 VanDerWaalsContact C-N 3.27Å; E233-C235 PolarHBondContact O-N 3.4Å; E233-I236 PolarHBondContact O-N 3.23Å; E233-I236 VanDerWaalsContact O-N 3.1Å; E233-Y237 WeakPolarHBondContact O-CB 3.46Å; E233-Y237 PolarHBondContact O-N 2.95Å; E233-I653 HydrophobicContact CG-CG2 4.42Å; E233-I653 WeakPolarHBondContact OE1-CG2 3.37Å; E233-K657 WeakPolarHBondContact OE1-CD 3.37Å; E233-K657 VanDerWaalsContact OE1-CE 3.23Å; E233-K657 WeakPolarHBondContact OE1-CE 3.05Å; E233-K657 IonicContact OE1-NZ 2.81Å; E233-K657 PolarHBondContact OE1-NZ 3.48Å; E233-K657 IonicContact OE2-NZ 3.49Å
234	G	89.5	Confident	83.8	Confident	43 Å²	43	70 Å²	70	44%	0.443	30%	0.299	S	S	.	.	H	α-helix	trans	-58.3	-37.6	177.2	0	0	0	0	0	113.1	R230 Y231 M232 R238	R230-G234 PolarHBondContact O-N 3.02Å; Y231-G234 PolarHBondContact O-N 2.85Å; M232-G234 PolarHBondContact O-N 3.01Å; G234-R238 WeakPolarHBondContact O-CB 3.48Å; G234-R238 PolarHBondContact O-N 3.46Å; G234-R238 VanDerWaalsContact O-N 3.16Å
235	C	88.4	Confident	82.2	Confident	5 Å²	5	75.5 Å²	75.5	3%	0.034	32%	0.315	C	S	.	.	H	α-helix	trans	-65.3	-46.2	172	-74.7	0	0	0	0	112.6	F201 Y231 M232 E233 R238 Q239	F201-C235 HydrophobicContact CD1-CB 3.42Å; F201-C235 VanDerWaalsContact CD1-CB 3.42Å; F201-C235 HydrophobicContact CE1-CB 3.4Å; F201-C235 VanDerWaalsContact CE1-CB 3.4Å; F201-C235 HydrophobicContact CG-CB 4.24Å; F201-C235 HydrophobicContact CZ-CB 4.21Å; Y231-C235 PolarHBondContact O-N 3.13Å; Y231-C235 VanDerWaalsContact O-N 3.11Å; M232-C235 WeakPolarHBondContact O-CB 3.32Å; M232-C235 PolarHBondContact O-N 3.34Å; E233-C235 VanDerWaalsContact C-N 3.27Å; E233-C235 PolarHBondContact O-N 3.4Å; C235-R238 PolarHBondContact O-N 2.84Å; C235-Q239 PolarHBondContact O-N 2.98Å
236	I	86.6	Confident	80.3	Confident	9 Å²	9	81.5 Å²	81.5	5%	0.046	34%	0.341	C	S	.	.	H	α-helix	trans	-61.5	-47.7	178.5	-70.4	164.3	0	0	0	111	F201 M232 E233 R238 Q239 R240 Y622 L623	F201-I236 HydrophobicContact CE1-CG1 4.13Å; F201-I236 HydrophobicContact CZ-CG1 3.78Å; M232-I236 VanDerWaalsContact O-CG1 3.31Å; M232-I236 WeakPolarHBondContact O-CG1 3.47Å; M232-I236 PolarHBondContact O-N 2.95Å; E233-I236 PolarHBondContact O-N 3.23Å; E233-I236 VanDerWaalsContact O-N 3.1Å; I236-R238 PolarHBondContact O-N 3.06Å; I236-Q239 PolarHBondContact O-N 3.4Å; I236-R240 PolarHBondContact O-N 3.24Å; I236-R240 VanDerWaalsContact O-N 3.1Å; I236-Y622 WeakPolarHBondContact CG2-O 3.44Å; I236-L623 HydrophobicContact CD1-CD1 4.34Å
237	Y	84.3	Confident	78.3	Confident	127 Å²	127	79.8 Å²	79.8	50%	0.498	34%	0.34	S	S	.	.	H	α-helix	trans	-61.6	-44.8	-179.8	-171.3	-89	0	0	0	111.3	E233 Q239 R240 D241	E233-Y237 WeakPolarHBondContact O-CB 3.46Å; E233-Y237 PolarHBondContact O-N 2.95Å; Y237-Q239 VanDerWaalsContact C-N 3.29Å; Y237-Q239 PolarHBondContact O-N 3.29Å; Y237-R240 WeakPolarHBondContact O-CB 3.31Å; Y237-R240 PolarHBondContact O-N 3.09Å; Y237-D241 WeakPolarHBondContact CE1-OD2 3.37Å; Y237-D241 PolarHBondContact O-N 3Å
238	R	80.9	Confident	76.5	Confident	155 Å²	155	75.8 Å²	75.8	59%	0.585	33%	0.327	S	S	*	.	H	α-helix	trans	-59.7	-35.1	176.6	-174	170.9	66.4	162.4	-0.2	113.2	G200 G234 C235 I236 Y242	G200-R238 PolarHBondContact O-NH2 2.87Å; G234-R238 WeakPolarHBondContact O-CB 3.48Å; G234-R238 PolarHBondContact O-N 3.46Å; G234-R238 VanDerWaalsContact O-N 3.16Å; C235-R238 PolarHBondContact O-N 2.84Å; I236-R238 PolarHBondContact O-N 3.06Å; R238-Y242 PolarHBondContact O-N 2.92Å
239	Q	75.7	Confident	74.6	Confident	37 Å²	37	80.3 Å²	80.3	17%	0.173	36%	0.355	C	S	.	.	H	α-helix	trans	-67.9	-41.5	171.9	-70.7	-174.5	-18.7	0	0	112.1	S199 C235 I236 Y237 Y242 R243	S199-Q239 PolarHBondContact O-NE2 2.93Å; C235-Q239 PolarHBondContact O-N 2.98Å; I236-Q239 PolarHBondContact O-N 3.4Å; Y237-Q239 VanDerWaalsContact C-N 3.29Å; Y237-Q239 PolarHBondContact O-N 3.29Å; Q239-Y242 PolarHBondContact O-N 3.13Å; Q239-R243 PolarHBondContact O-N 2.95Å
240	R	74.5	Confident	72.9	Confident	95 Å²	95	84.9 Å²	84.9	36%	0.358	38%	0.383	S	S	.	.	H	α-helix	trans	-64.3	-38.7	179.1	176.4	170	162.3	139.9	-11.8	112.5	I236 Y237 R243 K244	I236-R240 PolarHBondContact O-N 3.24Å; I236-R240 VanDerWaalsContact O-N 3.1Å; Y237-R240 WeakPolarHBondContact O-CB 3.31Å; Y237-R240 PolarHBondContact O-N 3.09Å; R240-R243 WeakPolarHBondContact O-CB 3.36Å; R240-R243 PolarHBondContact O-N 3.04Å; R240-K244 PolarHBondContact O-N 2.63Å; R240-K244 VanDerWaalsContact O-N 3.15Å
241	D	68	Low	70.9	Confident	35 Å²	35	82.3 Å²	82.3	19%	0.187	38%	0.381	C	S	.	.	H	α-helix	trans	-68.5	-39.8	177.8	-91.3	10.2	0	0	0	113.4	Y237 R243 K244 R245	Y237-D241 WeakPolarHBondContact CE1-OD2 3.37Å; Y237-D241 PolarHBondContact O-N 3Å; D241-R243 PolarHBondContact O-N 3.34Å; D241-K244 PolarHBondContact O-N 2.91Å; D241-K244 VanDerWaalsContact O-N 3.08Å; D241-R245 PolarHBondContact O-N 3.4Å
242	Y	60.5	Low	68.4	Low	157 Å²	157	82.8 Å²	82.8	62%	0.616	40%	0.404	S	S	*	.	H	α-helix	trans	-59.9	-32	174.8	-159.7	-96.5	0	0	0	111.6	R238 Q239 K246	R238-Y242 PolarHBondContact O-N 2.92Å; Q239-Y242 PolarHBondContact O-N 3.13Å; Y242-K246 PolarHBondContact O-N 3.28Å
243	R	60.1	Low	66	Low	120 Å²	120	89.9 Å²	89.9	45%	0.453	43%	0.434	S	S	.	.	H	α-helix	trans	-69.5	-44.4	172	-164.6	-176.7	74.3	156.9	5.2	112.4	Q239 R240 D241 L247	Q239-R243 PolarHBondContact O-N 2.95Å; R240-R243 WeakPolarHBondContact O-CB 3.36Å; R240-R243 PolarHBondContact O-N 3.04Å; D241-R243 PolarHBondContact O-N 3.34Å; R243-L247 WeakPolarHBondContact O-CB 3.13Å; R243-L247 PolarHBondContact O-N 3.09Å
244	K	60.9	Low	63.2	Low	135 Å²	135	93.1 Å²	93.1	59%	0.587	46%	0.461	S	S	*	.	H	α-helix	trans	-60.2	-55.9	176.9	-82.5	-169.2	169.8	-169.7	0	111.2	R240 D241 K246 L247 S248	R240-K244 PolarHBondContact O-N 2.63Å; R240-K244 VanDerWaalsContact O-N 3.15Å; D241-K244 PolarHBondContact O-N 2.91Å; D241-K244 VanDerWaalsContact O-N 3.08Å; K244-K246 PolarHBondContact O-N 2.93Å; K244-L247 PolarHBondContact O-N 2.9Å; K244-S248 PolarHBondContact O-N 2.99Å
245	R	57.9	Low	61	Low	175 Å²	175	95 Å²	95	66%	0.66	47%	0.465	S	S	*	.	H	α-helix	trans	-60.4	-47.1	-173.7	-64.6	-177	-170.5	-163.8	2	112.2	D241 L247 S248 T249	D241-R245 PolarHBondContact O-N 3.4Å; R245-L247 VanDerWaalsContact C-N 3.34Å; R245-L247 PolarHBondContact O-N 3.36Å; R245-S248 VanDerWaalsContact O-CB 3.3Å; R245-S248 WeakPolarHBondContact O-CB 3.41Å; R245-S248 PolarHBondContact O-N 3.18Å; R245-T249 PolarHBondContact O-N 3.14Å; R245-T249 PolarHBondContact O-OG1 3.27Å; R245-T249 VanDerWaalsContact O-OG1 3.1Å
246	K	53.7	Low	58.8	Low	126 Å²	126	100.7 Å²	100.7	55%	0.548	50%	0.5	S	S	.	.	H	α-helix	trans	-72.8	-23.3	-179.7	-167.3	161.4	-174.2	167.8	0	113.6	Y242 K244 V250	Y242-K246 PolarHBondContact O-N 3.28Å; K244-K246 PolarHBondContact O-N 2.93Å; K246-V250 VanDerWaalsContact O-CG2 3.29Å; K246-V250 WeakPolarHBondContact O-CG2 3.32Å; K246-V250 PolarHBondContact O-N 3.25Å; K246-V250 VanDerWaalsContact O-N 3.12Å
247	L	50.6	Low	56.3	Low	84 Å²	84	105.1 Å²	105.1	44%	0.44	53%	0.531	S	S	.	.	H	α-helix	trans	-68.1	-42.5	170.7	-176	60.7	0	0	0	111	R243 K244 R245 T249 V250 L251	R243-L247 WeakPolarHBondContact O-CB 3.13Å; R243-L247 PolarHBondContact O-N 3.09Å; K244-L247 PolarHBondContact O-N 2.9Å; R245-L247 VanDerWaalsContact C-N 3.34Å; R245-L247 PolarHBondContact O-N 3.36Å; L247-T249 PolarHBondContact O-N 3.49Å; L247-V250 PolarHBondContact O-N 3.26Å; L247-L251 HydrophobicContact CD1-CD1 3.94Å; L247-L251 HydrophobicContact CD1-CG 4.17Å; L247-L251 HydrophobicContact CG-CD1 3.92Å; L247-L251 WeakPolarHBondContact O-CG 3.33Å; L247-L251 PolarHBondContact O-N 3.46Å
248	S	55.1	Low	53.8	Low	36 Å²	36	109.3 Å²	109.3	25%	0.252	55%	0.548	S	S	.	.	H	α-helix	trans	-53.6	-52.1	172	-156.3	0	0	0	0	110.9	K244 R245 V250 L251 G252 F253	K244-S248 PolarHBondContact O-N 2.99Å; R245-S248 VanDerWaalsContact O-CB 3.3Å; R245-S248 WeakPolarHBondContact O-CB 3.41Å; R245-S248 PolarHBondContact O-N 3.18Å; S248-V250 VanDerWaalsContact C-N 3.29Å; S248-V250 PolarHBondContact O-N 2.86Å; S248-L251 PolarHBondContact O-N 3.41Å; S248-L251 VanDerWaalsContact O-N 3.13Å; S248-G252 PolarHBondContact O-N 3.01Å; S248-F253 CarbonylContact C-O 3.25Å; S248-F253 VanDerWaalsContact C-O 3.25Å; S248-F253 WeakPolarHBondContact CB-O 3.31Å; S248-F253 PolarHBondContact O-N 3.42Å; S248-F253 VanDerWaalsContact O-O 3.12Å; S248-F253 WeakPolarHBondContact OG-CB 3.3Å; S248-F253 PolarHBondContact OG-O 3.48Å
249	T	55.5	Low	51.7	Low	98 Å²	98	107.7 Å²	107.7	60%	0.601	56%	0.555	S	S	*	*	H	α-helix	trans	-60.8	-32.8	179.6	-41.6	0	0	0	0	113.8	R245 L247	R245-T249 PolarHBondContact O-N 3.14Å; R245-T249 PolarHBondContact O-OG1 3.27Å; R245-T249 VanDerWaalsContact O-OG1 3.1Å; L247-T249 PolarHBondContact O-N 3.49Å
250	V	57.6	Low	49.6	Very low	95 Å²	95	109 Å²	109	58%	0.576	58%	0.579	S	S	*	*	H	α-helix	trans	-78.8	-27.9	178.6	168.2	0	0	0	0	112.1	K246 L247 S248 G252	K246-V250 VanDerWaalsContact O-CG2 3.29Å; K246-V250 WeakPolarHBondContact O-CG2 3.32Å; K246-V250 PolarHBondContact O-N 3.25Å; K246-V250 VanDerWaalsContact O-N 3.12Å; L247-V250 PolarHBondContact O-N 3.26Å; S248-V250 VanDerWaalsContact C-N 3.29Å; S248-V250 PolarHBondContact O-N 2.86Å; V250-G252 VanDerWaalsContact C-N 3.31Å
251	L	51.8	Low	47.6	Very low	109 Å²	109	112.7 Å²	112.7	57%	0.571	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	15.9	177.5	-65.3	175.3	0	0	0	113.3	L247 S248 F253	L247-L251 HydrophobicContact CD1-CD1 3.94Å; L247-L251 HydrophobicContact CD1-CG 4.17Å; L247-L251 HydrophobicContact CG-CD1 3.92Å; L247-L251 WeakPolarHBondContact O-CG 3.33Å; L247-L251 PolarHBondContact O-N 3.46Å; S248-L251 PolarHBondContact O-N 3.41Å; S248-L251 VanDerWaalsContact O-N 3.13Å; L251-F253 HydrophobicContact CB-CD2 3.94Å; L251-F253 WeakPolarHBondContact O-CD2 3.49Å; L251-F253 PolarHBondContact O-N 3.02Å
252	G	41.8	Very low	45.8	Very low	69 Å²	69	114.4 Å²	114.4	71%	0.711	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	73.9	-14.1	179.7	0	0	0	0	0	115.3	S248 V250 S254	S248-G252 PolarHBondContact O-N 3.01Å; V250-G252 VanDerWaalsContact C-N 3.31Å; G252-S254 PolarHBondContact O-N 3.14Å
253	F	40.9	Very low	44.4	Very low	148 Å²	148	116.2 Å²	116.2	65%	0.649	65%	0.645	S	S	*	*			trans	-68.1	93.5	173.7	-69.6	-77.9	0	0	0	110.6	S248 L251 P255	S248-F253 CarbonylContact C-O 3.25Å; S248-F253 VanDerWaalsContact C-O 3.25Å; S248-F253 WeakPolarHBondContact CB-O 3.31Å; S248-F253 PolarHBondContact O-N 3.42Å; S248-F253 VanDerWaalsContact O-O 3.12Å; S248-F253 WeakPolarHBondContact OG-CB 3.3Å; S248-F253 PolarHBondContact OG-O 3.48Å; L251-F253 HydrophobicContact CB-CD2 3.94Å; L251-F253 WeakPolarHBondContact O-CD2 3.49Å; L251-F253 PolarHBondContact O-N 3.02Å; F253-P255 WeakPolarHBondContact O-CD 3.27Å
254	S	33.2	Very low	42.9	Very low	98 Å²	98	115.9 Å²	115.9	69%	0.685	66%	0.661	S	S	*	*			trans	-54	123.1	161.6	-170.9	0	0	0	0	108.3	G252 T256	G252-S254 PolarHBondContact O-N 3.14Å; S254-T256 PolarHBondContact O-N 2.94Å
255	P	43.1	Very low	41.5	Very low	83 Å²	83	115.2 Å²	115.2	54%	0.539	67%	0.67	S	S	.	*			trans	-69.7	99.2	173.5	28.9	-31.8	0	0	0	107.8	F253 S257	F253-P255 WeakPolarHBondContact O-CD 3.27Å; P255-S257 PolarHBondContact O-N 3.31Å
256	T	41.5	Very low	40.2	Very low	124 Å²	124	115.1 Å²	115.1	76%	0.761	68%	0.677	S	S	*	*			trans	-51.2	133.1	174.5	25.6	0	0	0	0	109.7	S254 Y258	S254-T256 PolarHBondContact O-N 2.94Å; T256-Y258 PolarHBondContact O-N 3.42Å
257	S	34.3	Very low	39.1	Very low	101 Å²	101	116.1 Å²	116.1	71%	0.706	69%	0.687	S	S	*	*			trans	-66	101.3	-173.7	-55.8	0	0	0	0	110	P255 T259	P255-S257 PolarHBondContact O-N 3.31Å; S257-T259 PolarHBondContact O-N 3.5Å
258	Y	31.8	Very low	38	Very low	216 Å²	216	120.8 Å²	120.8	85%	0.847	71%	0.706	S	S	*	*			trans	-75.7	69.8	173.5	-133.8	-83.5	0	0	0	110	T256	T256-Y258 PolarHBondContact O-N 3.42Å
259	T	37.8	Very low	37	Very low	121 Å²	121	124.9 Å²	124.9	74%	0.742	73%	0.73	S	S	*	*			trans	-139.3	85.7	179.9	48.1	0	0	0	0	108	S257	S257-T259 PolarHBondContact O-N 3.5Å
260	G	31.4	Very low	35.6	Very low	65 Å²	65	127.4 Å²	127.4	67%	0.67	73%	0.734	S	S	*	*	S	Bend	trans	119.6	148.4	176.9	0	0	0	0	0	114
261	L	31.8	Very low	34.3	Very low	171 Å²	171	131 Å²	131	90%	0.895	75%	0.745	S	S	*	*			trans	61.7	97.4	166	-57.4	173	0	0	0	116.4
262	G	30.8	Very low	33.2	Very low	72 Å²	72	133.7 Å²	133.7	74%	0.742	75%	0.754	S	S	*	*			trans	178.2	38.6	177.5	0	0	0	0	0	112.1
263	Q	30	Very low	32.6	Very low	194 Å²	194	140.4 Å²	140.4	91%	0.907	76%	0.759	S	S	*	*			trans	-80	121.4	178.6	-76.2	172.4	-63.1	0	0	110.6
264	S	29.4	Very low	32.1	Very low	113 Å²	113	137.1 Å²	137.1	79%	0.79	76%	0.755	S	S	*	*			trans	-149.7	140.8	151.7	-160.1	0	0	0	0	107.7
265	P	30.8	Very low	32.3	Very low	121 Å²	121	138.1 Å²	138.1	79%	0.786	76%	0.759	S	S	*	*			trans	-86.7	127.3	-151.1	31.2	-34.7	0	0	0	113.7
266	H	31.3	Very low	31.7	Very low	173 Å²	173	139.3 Å²	139.3	80%	0.801	77%	0.769	S	S	*	*			trans	-104.1	121.6	158.6	-115.4	-69.2	0	0	0	110.6	H268	H266-H268 PolarHBondContact O-N 3.26Å
267	I	29.9	Very low	31.5	Very low	147 Å²	147	143.6 Å²	143.6	75%	0.754	77%	0.773	S	S	*	*			trans	-40.4	120.9	-177.3	-58	165.2	0	0	0	112.5	V269	I267-V269 HydrophobicContact CG2-CG2 3.92Å; I267-V269 PolarHBondContact O-N 3.41Å
268	H	28.6	Very low	32.1	Very low	183 Å²	183	144.2 Å²	144.2	85%	0.847	78%	0.775	S	S	*	*			trans	-83.7	74.7	178.4	-131.8	-77.9	0	0	0	111.1	H266 H270	H266-H268 PolarHBondContact O-N 3.26Å; H268-H270 PolarHBondContact O-N 3.45Å
269	V	33.1	Very low	32.6	Very low	122 Å²	122	138.7 Å²	138.7	74%	0.739	77%	0.765	S	S	*	*			trans	-68.8	129.3	168.1	177.8	0	0	0	0	109.1	I267	I267-V269 HydrophobicContact CG2-CG2 3.92Å; I267-V269 PolarHBondContact O-N 3.41Å
270	H	26.2	Very low	33	Very low	150 Å²	150	139 Å²	139	69%	0.694	77%	0.769	S	S	*	*			trans	-63.3	133.4	175.1	-88.5	-119.6	0	0	0	111.9	H268	H268-H270 PolarHBondContact O-N 3.45Å
271	Q	30.1	Very low	33.4	Very low	171 Å²	171	144.8 Å²	144.8	80%	0.799	78%	0.778	S	S	*	*			trans	-156.9	102.3	134	-113.4	166.9	15.5	0	0	111.4	Y273	Q271-Y273 PolarHBondContact O-N 2.88Å
272	H	28.8	Very low	33.4	Very low	166 Å²	166	145.6 Å²	145.6	77%	0.769	78%	0.777	S	S	*	*			trans	-71	110.2	163.5	-87.1	-104.6	0	0	0	108.7
273	Y	30.5	Very low	33.8	Very low	209 Å²	209	151.5 Å²	151.5	82%	0.82	79%	0.786	S	S	*	*			trans	-101.1	64.8	169.2	-123.7	-74.3	0	0	0	111.3	Q271	Q271-Y273 PolarHBondContact O-N 2.88Å
274	S	29.3	Very low	34	Very low	79 Å²	79	151 Å²	151	55%	0.552	78%	0.783	S	S	*	*			trans	-68.6	138.4	161.4	-69.2	0	0	0	0	109.2	S276	S274-S276 VanDerWaalsContact C-N 3.27Å; S274-S276 PolarHBondContact O-N 2.9Å
275	P	37	Very low	34.5	Very low	120 Å²	120	154.9 Å²	154.9	78%	0.779	79%	0.789	S	S	*	*			trans	-73.2	83	172.6	-9.1	25.2	0	0	0	109.9	Y277	P275-Y277 PolarHBondContact O-N 3.22Å; P275-Y277 VanDerWaalsContact O-N 3.15Å
276	S	30.7	Very low	34.8	Very low	107 Å²	107	158 Å²	158	75%	0.748	79%	0.793	S	S	*	*			trans	-71	103.3	174.2	53.4	0	0	0	0	109.9	S274	S274-S276 VanDerWaalsContact C-N 3.27Å; S274-S276 PolarHBondContact O-N 2.9Å
277	Y	37.4	Very low	35.1	Very low	215 Å²	215	155.3 Å²	155.3	84%	0.843	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-60.5	135.3	164.1	-78.1	-100.6	0	0	0	109.2	P275	P275-Y277 PolarHBondContact O-N 3.22Å; P275-Y277 VanDerWaalsContact O-N 3.15Å
278	P	47.1	Very low	35.7	Very low	114 Å²	114	153.7 Å²	153.7	74%	0.74	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-70.6	134.1	176.2	28.9	-33.5	0	0	0	110.3
279	P	42.4	Very low	36.2	Very low	100 Å²	100	149.8 Å²	149.8	65%	0.649	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-72.5	143.7	168.9	31.2	-33.4	0	0	0	110.1	H281	P279-H281 PolarHBondContact O-N 3.13Å
280	P	45.8	Very low	36.7	Very low	127 Å²	127	152.6 Å²	152.6	83%	0.825	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-72.4	121.6	173.7	29.2	-32.5	0	0	0	110.1
281	H	39.6	Very low	37.2	Very low	187 Å²	187	152.6 Å²	152.6	87%	0.866	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-68.8	131.4	171.7	-90	-89.2	0	0	0	110.8	P279	P279-H281 PolarHBondContact O-N 3.13Å
282	Q	33.5	Very low	37.9	Very low	187 Å²	187	153.4 Å²	153.4	87%	0.874	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-75.9	133.2	166	-66.8	173.9	-24.2	0	0	109.7
283	Q	37.8	Very low	39	Very low	197 Å²	197	153.4 Å²	153.4	92%	0.921	80%	0.796	S	S	*	*			trans	-140.4	142.6	149.1	-111	176.6	-1.8	0	0	108.7
284	Q	35.7	Very low	40.7	Very low	182 Å²	182	149 Å²	149	85%	0.85	79%	0.793	S	S	*	*			trans	-95.9	137	-165.3	-61.9	150.6	-62.8	0	0	111.4
285	Q	38.6	Very low	42.5	Very low	195 Å²	195	150.9 Å²	150.9	91%	0.911	80%	0.803	S	S	*	*			trans	-157	168.8	138.9	-107.9	154.9	25.5	0	0	109.9
286	Q	36.7	Very low	44	Very low	186 Å²	186	150.6 Å²	150.6	87%	0.869	80%	0.801	S	S	*	*			trans	-99	160.2	-141.5	-84.7	170.3	-39.8	0	0	116.5
287	P	39.6	Very low	45.9	Very low	117 Å²	117	151.1 Å²	151.1	76%	0.76	80%	0.802	S	S	*	*			trans	-89.4	-167.6	-176.3	43.7	-41.2	0	0	0	110.8
288	P	41.6	Very low	47.2	Very low	113 Å²	113	146.5 Å²	146.5	73%	0.734	80%	0.798	S	S	*	*			cis	-141.7	174	8.5	43.8	-25.8	0	0	0	118.1
289	S	39.5	Very low	48.2	Very low	102 Å²	102	146.6 Å²	146.6	71%	0.713	80%	0.799	S	S	*	*				173.7	155.8	117.1	51.1	0	0	0	0	115.2
290	H	42.2	Very low	49.3	Very low	181 Å²	181	147 Å²	147	84%	0.838	80%	0.801	S	S	*	*			trans	49.2	80.5	161	-59.8	-58.5	0	0	0	122.8
291	L	37.8	Very low	50	Low	150 Å²	150	147 Å²	147	79%	0.785	80%	0.802	S	S	*	*			trans	-3.3	128.5	130.8	-161.2	82.2	0	0	0	119.2
292	H	45.2	Very low	50.1	Low	188 Å²	188	146.5 Å²	146.5	87%	0.87	80%	0.799	S	S	*	*			trans	-162.7	132	137.8	-116.4	-74.4	0	0	0	112.2
293	H	51.5	Low	50.5	Low	166 Å²	166	143.1 Å²	143.1	77%	0.769	80%	0.797	S	S	*	*			trans	-107.3	144.5	171	-84.7	-81.2	0	0	0	111.1
294	P	66.9	Low	50.5	Low	117 Å²	117	142.4 Å²	142.4	76%	0.76	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-80.8	143.8	167.7	32.8	-33.1	0	0	0	111.7
295	P	67.2	Low	50.6	Low	117 Å²	117	139.7 Å²	139.7	76%	0.76	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-85.1	162.9	-178.3	34.5	-36.3	0	0	0	113.8
296	P	68	Low	50.7	Low	114 Å²	114	139.4 Å²	139.4	74%	0.74	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-71.6	159.6	170.1	31.7	-35.9	0	0	0	112.7
297	P	70	Confident	50.6	Low	119 Å²	119	135.8 Å²	135.8	77%	0.773	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-72.3	151.1	-177.3	29.8	-36	0	0	0	113.5
298	P	65.3	Low	50.9	Low	117 Å²	117	136.1 Å²	136.1	76%	0.76	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-80.2	155.8	-175.3	32.7	-36.6	0	0	0	114.1
299	P	67.8	Low	50.9	Low	117 Å²	117	136.1 Å²	136.1	76%	0.76	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-74	161.7	168.7	33	-35.4	0	0	0	112.3
300	P	66.2	Low	50.8	Low	107 Å²	107	141.6 Å²	141.6	70%	0.695	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-71.2	151.5	179.9	30.2	-36	0	0	0	112.9
301	P	58.5	Low	50.6	Low	129 Å²	129	141.8 Å²	141.8	84%	0.838	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-76.3	138.3	-178.7	30.9	-34.9	0	0	0	112.7
302	H	43.7	Very low	50.6	Low	175 Å²	175	139.9 Å²	139.9	81%	0.81	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-94.6	124.5	164.1	-76.1	-89.4	0	0	0	109.8
303	S	41.1	Very low	50.3	Low	117 Å²	117	137.7 Å²	137.7	82%	0.818	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-92	127.9	169	43	0	0	0	0	110.9
304	H	38.5	Very low	49.5	Very low	181 Å²	181	134.2 Å²	134.2	84%	0.838	79%	0.786	S	S	*	*			trans	-104.7	120.6	172.6	-79.6	-102.8	0	0	0	110.1
305	T	37.7	Very low	48.2	Very low	125 Å²	125	136.3 Å²	136.3	77%	0.767	79%	0.785	S	S	*	*			trans	-141.6	98.1	163.7	-36.4	0	0	0	0	112
306	Q	39.8	Very low	46.7	Very low	189 Å²	189	138 Å²	138	88%	0.883	78%	0.781	S	S	*	*			trans	44	124.8	143.5	-60.3	174.4	-3.8	0	0	121.3
307	S	33.9	Very low	45.4	Very low	110 Å²	110	138.7 Å²	138.7	77%	0.769	77%	0.774	S	S	*	*			trans	-96.1	156.9	167.4	54.5	0	0	0	0	113.2
308	P	46	Very low	43.9	Very low	125 Å²	125	138.8 Å²	138.8	81%	0.812	76%	0.764	S	S	*	*			trans	-121.2	171.1	135.9	4.6	17.5	0	0	0	112.9
309	P	41.6	Very low	42.5	Very low	112 Å²	112	140 Å²	140	73%	0.727	76%	0.76	S	S	*	*			trans	-117	167.9	-151.8	12.6	11.3	0	0	0	117.8
310	Y	37.1	Very low	41	Very low	218 Å²	218	142.5 Å²	142.5	86%	0.855	77%	0.766	S	S	*	*			trans	39.2	113.4	148.7	-82.2	-97.9	0	0	0	121.1
311	M	39.6	Very low	39.6	Very low	184 Å²	184	143.1 Å²	143.1	91%	0.906	77%	0.768	S	S	*	*				-173.7	152.9	105.2	-112.2	-166.6	169.6	0	0	112.8
312	P	37.3	Very low	38.5	Very low	110 Å²	110	143.5 Å²	143.5	71%	0.714	77%	0.768	S	S	*	*			trans	-113.2	137.8	171.9	37.2	-26.8	0	0	0	113.8
313	T	38.8	Very low	38.4	Very low	143 Å²	143	142.3 Å²	142.3	88%	0.877	77%	0.773	S	S	*	*			trans	-138.1	150.6	166.8	45.5	0	0	0	0	112.5
314	S	34.5	Very low	38.1	Very low	93 Å²	93	143.5 Å²	143.5	65%	0.65	77%	0.77	S	S	*	*			trans	-78.8	-171.6	-174	45.6	0	0	0	0	114.6
315	H	40.2	Very low	37.9	Very low	160 Å²	160	139.2 Å²	139.2	74%	0.741	76%	0.76	S	S	*	*			trans	85.5	138.2	169.7	-64.1	-76.1	0	0	0	116.7
316	F	35	Very low	37.9	Very low	152 Å²	152	145 Å²	145	67%	0.667	77%	0.768	S	S	*	*			cis	-165.8	142.6	-12.6	-161.1	-135.4	0	0	0	111.4
317	H	40	Very low	37.7	Very low	129 Å²	129	143.9 Å²	143.9	60%	0.597	76%	0.763	S	S	*	*			trans	61.1	164.2	149.2	-89.1	5.2	0	0	0	119.9
318	Q	39	Very low	37.9	Very low	122 Å²	122	144.5 Å²	144.5	57%	0.57	77%	0.767	S	S	*	*			cis	-152.9	148.9	-0.7	-137.1	164.5	6.7	0	0	113.6
319	Q	37.3	Very low	37.5	Very low	142 Å²	142	143.9 Å²	143.9	66%	0.664	76%	0.763	S	S	*	*			trans	58.4	162.7	147.5	-80.8	156.6	8.6	0	0	119.8
320	L	35	Very low	37.3	Very low	169 Å²	169	147.1 Å²	147.1	89%	0.885	77%	0.772	S	S	*	*			cis	-99.3	164.8	3.6	-103.7	85.7	0	0	0	114.5
321	T	36.4	Very low	37.3	Very low	121 Å²	121	140.2 Å²	140.2	74%	0.742	77%	0.768	S	S	*	*			trans	-117.5	160.5	-175.1	47	0	0	0	0	112.8
322	T	36.3	Very low	37.3	Very low	137 Å²	137	134.7 Å²	134.7	84%	0.84	76%	0.758	S	S	*	*			trans	-74.5	145.5	171.3	44	0	0	0	0	112
323	V	41.7	Very low	37.3	Very low	149 Å²	149	137.2 Å²	137.2	90%	0.903	77%	0.765	S	S	*	*			trans	-89.5	148.8	170	179.7	0	0	0	0	109.6
324	N	34.5	Very low	37.3	Very low	143 Å²	143	139 Å²	139	77%	0.765	76%	0.764	S	S	*	*			trans	-132.4	168.8	-163.6	-159	6.6	0	0	0	112.8
325	S	34.4	Very low	37.2	Very low	90 Å²	90	141.5 Å²	141.5	63%	0.629	77%	0.77	S	S	*	*			trans	71.9	123.2	158.5	-54.5	0	0	0	0	120.7
326	R	36.9	Very low	37	Very low	248 Å²	248	144.3 Å²	144.3	94%	0.936	77%	0.774	S	S	*	*			trans	-144.5	130.6	140	-99.6	-172.6	173.9	-172.3	-2.9	109.5
327	Q	36.1	Very low	37.2	Very low	165 Å²	165	145 Å²	145	77%	0.771	78%	0.779	S	S	*	*			trans	-74.5	153.7	-179.8	-87.1	86.6	-18.5	0	0	114.4
328	S	37.7	Very low	37	Very low	123 Å²	123	143.2 Å²	143.2	86%	0.86	78%	0.781	S	S	*	*			trans	-165	122.7	144.9	-74.8	0	0	0	0	110.4
329	P	38.3	Very low	36.9	Very low	111 Å²	111	144.2 Å²	144.2	72%	0.721	79%	0.79	S	S	*	*			trans	-110.3	-166.2	175.1	40.3	-32.1	0	0	0	113.4
330	I	38.4	Very low	36.6	Very low	180 Å²	180	144.3 Å²	144.3	92%	0.923	80%	0.795	S	S	*	*			trans	85.8	133.4	-174.1	-50.5	158.1	0	0	0	112.3
331	G	35.5	Very low	36.8	Very low	74 Å²	74	145.9 Å²	145.9	76%	0.763	80%	0.797	S	S	*	*			cis	173.1	164.1	-5.4	0	0	0	0	0	111.9
332	G	39.5	Very low	36.7	Very low	67 Å²	67	148 Å²	148	69%	0.691	80%	0.799	S	S	*	*			trans	94	127.7	-176.8	0	0	0	0	0	113.5
333	D	38.1	Very low	36.7	Very low	164 Å²	164	148.5 Å²	148.5	88%	0.877	80%	0.795	S	S	*	*				79.1	137.8	58.1	-63.6	-42.5	0	0	0	113
334	E	38.1	Very low	36.4	Very low	180 Å²	180	148.7 Å²	148.7	84%	0.841	79%	0.786	S	S	*	*			cis	-149.4	-175.9	9.9	-144.3	-166.2	130.8	0	0	112.4
335	N	33.7	Very low	36.2	Very low	145 Å²	145	145.7 Å²	145.7	78%	0.775	78%	0.776	S	S	*	*			trans	-100.6	149.8	-172.7	-70	-80.9	0	0	0	115.1
336	R	36.2	Very low	36.1	Very low	220 Å²	220	148.4 Å²	148.4	83%	0.83	79%	0.789	S	S	*	*			trans	-171.4	134.9	133.5	-115	173	167.4	147.4	-2.7	117.2
337	H	38.1	Very low	35.6	Very low	166 Å²	166	144.2 Å²	144.2	77%	0.769	78%	0.784	S	S	*	*			trans	32.2	157.9	134.2	-68.6	16.5	0	0	0	122.7
338	S	36.4	Very low	35.6	Very low	91 Å²	91	144.5 Å²	144.5	64%	0.636	79%	0.789	S	S	*	*			cis	-179.6	172.3	-21.5	-171.8	0	0	0	0	109.1
339	N	36.2	Very low	35.4	Very low	144 Å²	144	144.6 Å²	144.6	77%	0.77	79%	0.785	S	S	*	*			trans	93.4	146.3	158.9	-53.1	-4.8	0	0	0	118.6
340	D	31.9	Very low	35	Very low	144 Å²	144	144.5 Å²	144.5	77%	0.77	79%	0.787	S	S	*	*			trans	-103.3	172.4	-161.5	-46.4	-100.1	0	0	0	114.1
341	H	37.8	Very low	34.8	Very low	201 Å²	201	140.9 Å²	140.9	93%	0.931	78%	0.775	S	S	*	*				-159.8	142.4	117.9	-107	-70.4	0	0	0	113.3
342	Q	35.2	Very low	34.7	Very low	167 Å²	167	148.7 Å²	148.7	78%	0.78	78%	0.782	S	S	*	*			trans	-94.9	-177.2	-166.3	-153.9	-180	17.4	0	0	112.8
343	I	37.3	Very low	34.5	Very low	146 Å²	146	157.3 Å²	157.3	75%	0.749	79%	0.793	S	S	*	*			trans	75.8	132	162.5	-68.3	167	0	0	0	115
344	E	34.4	Very low	34.4	Very low	153 Å²	153	153.3 Å²	153.3	72%	0.715	79%	0.791	S	S	*	*			cis	-154	-166.8	-4.1	-127	-64.2	88	0	0	113
345	S	30	Very low	34.4	Very low	81 Å²	81	149.5 Å²	149.5	57%	0.566	78%	0.784	S	S	*	*			trans	-107.3	154.3	-163.9	-54.4	0	0	0	0	114.6
346	T	33.6	Very low	34.9	Very low	146 Å²	146	150.6 Å²	150.6	90%	0.896	79%	0.79	S	S	*	*			trans	-169.6	154.6	134.7	10.3	0	0	0	0	112.5
347	L	26.4	Very low	35.4	Very low	160 Å²	160	144 Å²	144	84%	0.838	77%	0.774	S	S	*	*			trans	-78.6	154.9	-174.6	-72.1	72.6	0	0	0	113.4
348	I	34	Very low	36.4	Very low	171 Å²	171	138.3 Å²	138.3	88%	0.877	75%	0.753	S	S	*	*			trans	-161.4	159	139	-104.7	152.5	0	0	0	111.4
349	T	35.5	Very low	37.4	Very low	126 Å²	126	139.8 Å²	139.8	77%	0.773	75%	0.753	S	S	*	*			trans	-74.4	155.5	-166.9	53.6	0	0	0	0	117.4
350	S	27.9	Very low	38.1	Very low	108 Å²	108	137.8 Å²	137.8	76%	0.755	74%	0.738	S	S	*	*			trans	-0.7	158.5	135.5	-146.3	0	0	0	0	119.4
351	P	36	Very low	39.3	Very low	104 Å²	104	134.1 Å²	134.1	68%	0.675	72%	0.718	S	S	*	*			cis	-139.8	-179.1	8.3	38.7	-19.1	0	0	0	116.2
352	R	33.6	Very low	40.5	Very low	239 Å²	239	131.3 Å²	131.3	90%	0.902	70%	0.703	S	S	*	*				176.4	145.3	117.6	-101.2	177	170.4	138.9	0.4	117.3
353	R	34.7	Very low	41.5	Very low	248 Å²	248	125.9 Å²	125.9	94%	0.936	68%	0.679	S	S	*	*			trans	-48.1	133.2	160.9	-85.3	173.8	165.3	154	-4.9	112.4
354	G	34.8	Very low	42.4	Very low	80 Å²	80	124.5 Å²	124.5	83%	0.825	67%	0.665	S	S	*	*			trans	-67.5	138.1	160.1	0	0	0	0	0	111.5
355	S	40	Very low	43.3	Very low	100 Å²	100	123.4 Å²	123.4	70%	0.699	66%	0.659	S	S	*	*			trans	-105.7	130.5	174.4	-173.8	0	0	0	0	110.1	T357	S355-T357 PolarHBondContact O-N 3.27Å
356	N	43.2	Very low	44.7	Very low	168 Å²	168	123.5 Å²	123.5	90%	0.898	66%	0.659	S	S	*	*			trans	-74.2	72.8	173.3	-73.7	-16.3	0	0	0	110.4	S358	N356-S358 PolarHBondContact O-N 3.27Å
357	T	46.1	Very low	45.6	Very low	80 Å²	80	123.1 Å²	123.1	49%	0.491	65%	0.646	S	S	.	*			trans	-55.9	129.6	171.1	58.8	0	0	0	0	109.4	S355	S355-T357 PolarHBondContact O-N 3.27Å
358	S	59.1	Low	46.2	Very low	47 Å²	47	118.2 Å²	118.2	33%	0.329	63%	0.625	S	S	.	*			trans	-68.8	156.7	-175.7	79.6	0	0	0	0	111.4	N356 F360 D361 K362	N356-S358 PolarHBondContact O-N 3.27Å; S358-F360 PolarHBondContact O-N 3.41Å; S358-F360 PolarHBondContact OG-N 3.32Å; S358-D361 WeakPolarHBondContact CB-OD2 3.41Å; S358-D361 PolarHBondContact N-OD2 2.94Å; S358-D361 VanDerWaalsContact N-OD2 3.14Å; S358-D361 PolarHBondContact O-N 2.81Å; S358-D361 VanDerWaalsContact OG-CG 3.31Å; S358-D361 PolarHBondContact OG-N 3.33Å; S358-D361 PolarHBondContact OG-OD2 3.38Å; S358-K362 PolarHBondContact O-N 2.57Å
359	L	58.1	Low	46.4	Very low	123 Å²	123	117.6 Å²	117.6	64%	0.644	62%	0.623	S	S	*	*	H	α-helix	trans	-56.9	-30.7	173.2	-179	145.7	0	0	0	111.6	K362 I363	L359-K362 PolarHBondContact O-N 3.32Å; L359-I363 HydrophobicContact CD2-CD1 3.54Å; L359-I363 HydrophobicContact CD2-CG1 4.33Å; L359-I363 HydrophobicContact CG-CD1 4.48Å; L359-I363 WeakPolarHBondContact O-CG1 3.45Å; L359-I363 PolarHBondContact O-N 3.01Å
360	F	50.9	Low	46.4	Very low	102 Å²	102	116 Å²	116	45%	0.447	61%	0.609	S	S	.	*	H	α-helix	trans	-67.4	-30.6	173.1	-62.2	-74.6	0	0	0	113.7	L190 S358 R364	L190-F360 HydrophobicContact CD1-CD1 4.14Å; L190-F360 HydrophobicContact CD1-CE1 3.75Å; S358-F360 PolarHBondContact O-N 3.41Å; S358-F360 PolarHBondContact OG-N 3.32Å; F360-R364 VanDerWaalsContact O-CB 3.28Å; F360-R364 WeakPolarHBondContact O-CB 3.26Å; F360-R364 PolarHBondContact O-N 2.9Å
361	D	57.6	Low	46.8	Very low	66 Å²	66	117.8 Å²	117.8	35%	0.353	61%	0.61	S	S	.	*	H	α-helix	trans	-75.6	-36.1	177	-58.7	-57.9	0	0	0	111	S358 R364 H365	S358-D361 WeakPolarHBondContact CB-OD2 3.41Å; S358-D361 PolarHBondContact N-OD2 2.94Å; S358-D361 VanDerWaalsContact N-OD2 3.14Å; S358-D361 PolarHBondContact O-N 2.81Å; S358-D361 VanDerWaalsContact OG-CG 3.31Å; S358-D361 PolarHBondContact OG-N 3.33Å; S358-D361 PolarHBondContact OG-OD2 3.38Å; D361-R364 WeakPolarHBondContact O-CB 3.47Å; D361-R364 PolarHBondContact O-N 3.13Å; D361-H365 PolarHBondContact O-CD2 3.47Å; D361-H365 PolarHBondContact O-N 3.11Å
362	K	62	Low	46.6	Very low	142 Å²	142	118.6 Å²	118.6	62%	0.617	61%	0.609	S	S	*	*	H	α-helix	trans	-62.4	-46.3	169.8	-66	-172.7	178	-176.2	0	111.5	S358 L359 R364 H365 S366	S358-K362 PolarHBondContact O-N 2.57Å; L359-K362 PolarHBondContact O-N 3.32Å; K362-R364 VanDerWaalsContact C-N 3.33Å; K362-R364 PolarHBondContact O-N 2.97Å; K362-H365 PolarHBondContact O-N 3.02Å; K362-S366 PolarHBondContact O-N 3.45Å
363	I	56.7	Low	46.7	Very low	54 Å²	54	114.9 Å²	114.9	28%	0.277	61%	0.607	S	S	.	*	H	α-helix	trans	-62.9	-37.5	174.5	-72	179.6	0	0	0	111.9	L194 L359 H365 S366 F367	L194-I363 HydrophobicContact CD1-CG2 4.46Å; L194-I363 HydrophobicContact CD2-CG2 4.05Å; L359-I363 HydrophobicContact CD2-CD1 3.54Å; L359-I363 HydrophobicContact CD2-CG1 4.33Å; L359-I363 HydrophobicContact CG-CD1 4.48Å; L359-I363 WeakPolarHBondContact O-CG1 3.45Å; L359-I363 PolarHBondContact O-N 3.01Å; I363-H365 VanDerWaalsContact C-N 3.32Å; I363-H365 PolarHBondContact O-N 3.23Å; I363-S366 WeakPolarHBondContact CA-OG 3.44Å; I363-S366 PolarHBondContact O-N 3.3Å; I363-S366 PolarHBondContact O-OG 3.26Å; I363-F367 HydrophobicContact CG2-CD2 3.76Å; I363-F367 HydrophobicContact CG2-CE2 3.88Å; I363-F367 WeakPolarHBondContact O-CD2 3.38Å; I363-F367 PolarHBondContact O-N 3.14Å; I363-F367 VanDerWaalsContact O-N 3.13Å
364	R	55.1	Low	46.6	Very low	117 Å²	117	112.1 Å²	112.1	44%	0.442	60%	0.602	S	S	.	*	H	α-helix	trans	-60.3	-42.3	174.3	177.1	-177.6	-115.2	103.1	14.3	111.4	F360 D361 K362 S368	F360-R364 VanDerWaalsContact O-CB 3.28Å; F360-R364 WeakPolarHBondContact O-CB 3.26Å; F360-R364 PolarHBondContact O-N 2.9Å; D361-R364 WeakPolarHBondContact O-CB 3.47Å; D361-R364 PolarHBondContact O-N 3.13Å; K362-R364 VanDerWaalsContact C-N 3.33Å; K362-R364 PolarHBondContact O-N 2.97Å; R364-S368 PolarHBondContact O-N 2.76Å; R364-S368 VanDerWaalsContact O-N 3.11Å
365	H	55	Low	46.4	Very low	130 Å²	130	117.3 Å²	117.3	60%	0.602	60%	0.602	S	S	*	*	H	α-helix	trans	-70.8	-39.2	175.9	-86.3	-81.8	0	0	0	112.7	D361 K362 I363 F367 S368	D361-H365 PolarHBondContact O-CD2 3.47Å; D361-H365 PolarHBondContact O-N 3.11Å; K362-H365 PolarHBondContact O-N 3.02Å; I363-H365 VanDerWaalsContact C-N 3.32Å; I363-H365 PolarHBondContact O-N 3.23Å; H365-F367 VanDerWaalsContact C-N 3.25Å; H365-F367 PolarHBondContact O-N 3.09Å; H365-S368 WeakPolarHBondContact O-CB 3.43Å; H365-S368 PolarHBondContact O-N 3.27Å
366	S	58.2	Low	46	Very low	82 Å²	82	122 Å²	122	57%	0.573	61%	0.612	S	S	*	*	H	α-helix	trans	-66.2	-25.1	178.1	65.4	0	0	0	0	114	K362 I363	K362-S366 PolarHBondContact O-N 3.45Å; I363-S366 WeakPolarHBondContact CA-OG 3.44Å; I363-S366 PolarHBondContact O-N 3.3Å; I363-S366 PolarHBondContact O-OG 3.26Å
367	F	51.9	Low	45.5	Very low	138 Å²	138	123.2 Å²	123.2	61%	0.605	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	1	171.2	-68.8	-64.5	0	0	0	114.1	I363 H365 L369	I363-F367 HydrophobicContact CG2-CD2 3.76Å; I363-F367 HydrophobicContact CG2-CE2 3.88Å; I363-F367 WeakPolarHBondContact O-CD2 3.38Å; I363-F367 PolarHBondContact O-N 3.14Å; I363-F367 VanDerWaalsContact O-N 3.13Å; H365-F367 VanDerWaalsContact C-N 3.25Å; H365-F367 PolarHBondContact O-N 3.09Å; F367-L369 PolarHBondContact O-N 3.03Å
368	S	40.7	Very low	44.8	Very low	57 Å²	57	128.4 Å²	128.4	40%	0.399	63%	0.625	S	S	.	*			trans	-82	96.9	161.6	-165.4	0	0	0	0	107.8	R364 H365 D370	R364-S368 PolarHBondContact O-N 2.76Å; R364-S368 VanDerWaalsContact O-N 3.11Å; H365-S368 WeakPolarHBondContact O-CB 3.43Å; H365-S368 PolarHBondContact O-N 3.27Å; S368-D370 WeakPolarHBondContact CB-OD1 3.26Å; S368-D370 PolarHBondContact O-N 3.35Å; S368-D370 PolarHBondContact OG-OD1 3.44Å
369	L	37.7	Very low	43.3	Very low	159 Å²	159	137 Å²	137	83%	0.832	65%	0.65	S	S	*	*			trans	-68.8	84.4	164.9	-77.4	172.5	0	0	0	108.3	F367 D371	F367-L369 PolarHBondContact O-N 3.03Å; L369-D371 PolarHBondContact O-N 3.42Å; L369-D371 VanDerWaalsContact O-N 3.14Å
370	D	34.7	Very low	42	Very low	92 Å²	92	138.2 Å²	138.2	49%	0.492	66%	0.657	S	S	.	*			trans	-64.6	107.9	179.6	-92	20.9	0	0	0	110.4	S368 N372	S368-D370 WeakPolarHBondContact CB-OD1 3.26Å; S368-D370 PolarHBondContact O-N 3.35Å; S368-D370 PolarHBondContact OG-OD1 3.44Å; D370-N372 HydrophobicContact CB-CB 4.45Å; D370-N372 PolarHBondContact O-N 3.35Å; D370-N372 PolarHBondContact OD2-ND2 2.76Å
371	D	36.4	Very low	41.2	Very low	145 Å²	145	138.1 Å²	138.1	78%	0.775	67%	0.666	S	S	*	*			trans	-74	37.3	176.2	-153.6	-1.6	0	0	0	111.7	L369 N373	L369-D371 PolarHBondContact O-N 3.42Å; L369-D371 VanDerWaalsContact O-N 3.14Å; D371-N373 VanDerWaalsContact C-N 3.26Å; D371-N373 PolarHBondContact O-N 2.93Å
372	N	32.5	Very low	39.7	Very low	122 Å²	122	140 Å²	140	65%	0.652	68%	0.684	S	S	*	*			trans	-78.4	-6.8	-174.4	-85.1	-38	0	0	0	113.2	D370 K374	D370-N372 HydrophobicContact CB-CB 4.45Å; D370-N372 PolarHBondContact O-N 3.35Å; D370-N372 PolarHBondContact OD2-ND2 2.76Å; N372-K374 PolarHBondContact O-N 3.35Å
373	N	34.2	Very low	38.2	Very low	161 Å²	161	139.4 Å²	139.4	86%	0.861	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	29.9	-169.5	-136.6	-9.7	0	0	0	114.5	D371	D371-N373 VanDerWaalsContact C-N 3.26Å; D371-N373 PolarHBondContact O-N 2.93Å
374	K	34	Very low	37	Very low	190 Å²	190	142.4 Å²	142.4	83%	0.826	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.8	12.8	177	-83.4	-170.5	174.1	-178.5	0	114.8	N372	N372-K374 PolarHBondContact O-N 3.35Å
375	K	30.3	Very low	35.9	Very low	189 Å²	189	145.4 Å²	145.4	82%	0.822	73%	0.733	S	S	*	*	S	Bend	trans	-130.5	49.4	176.3	-77.3	-166.8	172.5	-172.9	0	114.1
376	H	31.2	Very low	34.9	Very low	197 Å²	197	148.2 Å²	148.2	91%	0.912	75%	0.746	S	S	*	*			trans	-158.9	90.9	160.1	-115.9	-82.7	0	0	0	113.3
377	K	33	Very low	33.7	Very low	194 Å²	194	148 Å²	148	84%	0.843	75%	0.749	S	S	*	*			trans	-154.9	101.9	160.2	-156	171.7	-175.3	-179.4	0	111
378	K	31.7	Very low	33	Very low	189 Å²	189	149.3 Å²	149.3	82%	0.822	76%	0.763	S	S	*	*			trans	48.2	118.8	145.1	-63.9	-169.7	178.2	-166.9	0	117.4
379	R	28.1	Very low	33	Very low	228 Å²	228	151.3 Å²	151.3	86%	0.86	77%	0.773	S	S	*	*			cis	38.9	113.2	36.9	-90.8	-163.7	-175.2	-156.6	2.7	111.1
380	L	30.1	Very low	32.9	Very low	148 Å²	148	150.1 Å²	150.1	78%	0.775	77%	0.766	S	S	*	*			cis	176.4	169.2	39.3	-175.2	62.5	0	0	0	106.9
381	P	33.4	Very low	33.2	Very low	100 Å²	100	152.1 Å²	152.1	65%	0.649	78%	0.782	S	S	*	*			cis	-124.7	-175.7	-34.8	37.3	-19.9	0	0	0	114.6
382	S	25.9	Very low	33.6	Very low	105 Å²	105	150.3 Å²	150.3	73%	0.734	78%	0.776	S	S	*	*			trans	12.7	125.8	147.7	62.6	0	0	0	0	123
383	V	31.7	Very low	34	Very low	130 Å²	130	148 Å²	148	79%	0.788	77%	0.766	S	S	*	*			trans	-140.6	147.5	131	-173.2	0	0	0	0	106.4
384	T	31.3	Very low	34.1	Very low	117 Å²	117	148.8 Å²	148.8	72%	0.718	77%	0.767	S	S	*	*			trans	15.3	127	170	58.1	0	0	0	0	119.1
385	E	32.9	Very low	34.4	Very low	181 Å²	181	148 Å²	148	85%	0.846	77%	0.766	S	S	*	*				61.4	146.2	59	-154	153.3	-132.8	0	0	113
386	E	32.3	Very low	34.8	Very low	189 Å²	189	144.2 Å²	144.2	88%	0.883	76%	0.759	S	S	*	*			trans	65.8	97.1	-169.7	-55.9	-167.4	163.4	0	0	117.4
387	A	33	Very low	34.9	Very low	77 Å²	77	141.9 Å²	141.9	64%	0.636	75%	0.752	S	S	*	*			trans	-161.1	-26.6	163	0	0	0	0	0	114	T389	A387-T389 PolarHBondContact O-N 3.27Å
388	N	37.9	Very low	34.9	Very low	166 Å²	166	139 Å²	139	89%	0.888	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	25	-172.5	-69.6	-10.4	0	0	0	115.2
389	T	41	Very low	35.1	Very low	99 Å²	99	136.1 Å²	136.1	61%	0.607	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.7	-3	-172.4	44.5	0	0	0	0	114.1	A387 T393	A387-T389 PolarHBondContact O-N 3.27Å; T389-T393 WeakPolarHBondContact O-CG2 3.34Å; T389-T393 PolarHBondContact O-OG1 2.94Å
390	L	34.7	Very low	35.5	Very low	134 Å²	134	135.4 Å²	135.4	70%	0.702	75%	0.747	S	S	*	*	S	Bend	trans	-106.2	9.7	-169.4	-114.9	168.6	0	0	0	115.7
391	V	42.4	Very low	35.8	Very low	134 Å²	134	134.5 Å²	134.5	81%	0.812	74%	0.743	S	S	*	*	S	Bend	trans	-113.7	-19.3	172.9	-178.8	0	0	0	0	112
392	T	44.8	Very low	35.8	Very low	107 Å²	107	136.3 Å²	136.3	66%	0.656	75%	0.747	S	S	*	*	S	Bend	trans	-96.1	6.7	-179.8	-34.1	0	0	0	0	113.1
393	T	41.1	Very low	36.2	Very low	74 Å²	74	137.5 Å²	137.5	45%	0.454	75%	0.746	S	S	.	*	S	Bend	trans	-113.3	1.8	-173.5	36.3	0	0	0	0	113.9	T389	T389-T393 WeakPolarHBondContact O-CG2 3.34Å; T389-T393 PolarHBondContact O-OG1 2.94Å
394	M	35.1	Very low	36.3	Very low	176 Å²	176	136.8 Å²	136.8	87%	0.867	74%	0.738	S	S	*	*	S	Bend	trans	-89.2	0.4	175.8	-82.8	-170.2	159.5	0	0	114.9
395	E	41.3	Very low	36.2	Very low	173 Å²	173	141.7 Å²	141.7	81%	0.808	74%	0.744	S	S	*	*	S	Bend	trans	-105	-2.4	-177.2	-66.1	-173.1	124	0	0	114.7
396	T	37.5	Very low	36.2	Very low	111 Å²	111	141.5 Å²	141.5	68%	0.681	74%	0.743	S	S	*	*	S	Bend	trans	-133.4	14.9	-164.1	47.3	0	0	0	0	117.1
397	L	34.5	Very low	36.6	Very low	147 Å²	147	137.2 Å²	137.2	77%	0.77	73%	0.732	S	S	*	*	S	Bend	trans	-132.1	132.8	172.8	-72	175.2	0	0	0	113.3
398	N	33	Very low	36.8	Very low	135 Å²	135	141 Å²	141	72%	0.722	74%	0.738	S	S	*	*			trans	55.3	108.4	168.9	-57.4	-13.8	0	0	0	117.3
399	S	34.5	Very low	36.7	Very low	128 Å²	128	140.7 Å²	140.7	90%	0.895	74%	0.736	S	S	*	*			cis	48.8	38.2	-4.2	-72	0	0	0	0	118.6
400	R	37.6	Very low	36.3	Very low	212 Å²	212	139.1 Å²	139.1	80%	0.8	74%	0.739	S	S	*	*			trans	-170.5	134.3	145.9	-112.3	163	174.6	130.6	-2.6	113.6
401	N	36.3	Very low	36.4	Very low	130 Å²	130	144 Å²	144	70%	0.695	75%	0.748	S	S	*	*			trans	36	113.1	146.8	-67.5	17.9	0	0	0	120.4
402	N	32.3	Very low	36.1	Very low	137 Å²	137	144.6 Å²	144.6	73%	0.733	75%	0.746	S	S	*	*				58.4	139.5	112.8	-63.2	8	0	0	0	121.6
403	N	34.4	Very low	35.8	Very low	130 Å²	130	147.7 Å²	147.7	70%	0.695	75%	0.75	S	S	*	*			trans	87.9	134.3	145	-79.8	36.4	0	0	0	120.6
404	D	33.8	Very low	35.7	Very low	116 Å²	116	150.1 Å²	150.1	62%	0.62	76%	0.758	S	S	*	*			trans	87.7	92.8	133.5	-62.9	-6.1	0	0	0	122.6
405	Y	30.6	Very low	35.8	Very low	220 Å²	220	147.5 Å²	147.5	86%	0.863	75%	0.747	S	S	*	*			trans	83.1	134.7	134.5	-67.9	-73.6	0	0	0	123.8
406	H	31.5	Very low	35.6	Very low	176 Å²	176	146.6 Å²	146.6	82%	0.815	75%	0.748	S	S	*	*			trans	-78.6	-173.9	166.9	-141.8	-136.2	0	0	0	109.7
407	P	41.3	Very low	35.5	Very low	99 Å²	99	145.3 Å²	145.3	64%	0.643	74%	0.744	S	S	*	*			cis	-143.8	-170.9	12	44.7	-25	0	0	0	116.8
408	M	37.1	Very low	35.7	Very low	156 Å²	156	146.2 Å²	146.2	77%	0.768	74%	0.744	S	S	*	*				-175.3	125.2	127.7	-90.4	-93.9	178.1	0	0	113.6
409	L	35.5	Very low	35.8	Very low	161 Å²	161	144.7 Å²	144.7	84%	0.843	74%	0.74	S	S	*	*			trans	16.2	138	152.4	-65.1	156.2	0	0	0	122.1
410	G	33.5	Very low	35.9	Very low	66 Å²	66	146 Å²	146	68%	0.68	73%	0.732	S	S	*	*			cis	153.5	169.9	-9.5	0	0	0	0	0	116
411	R	35.6	Very low	35.7	Very low	237 Å²	237	142.7 Å²	142.7	89%	0.894	73%	0.725	S	S	*	*			trans	68.4	139.3	167.8	-80.3	-179.3	-174.6	-178.9	3.4	117.7
412	L	36.1	Very low	35.5	Very low	145 Å²	145	142.8 Å²	142.8	76%	0.759	73%	0.726	S	S	*	*			cis	-138.1	146.6	11	-82.7	113.1	0	0	0	113.3
413	K	39.6	Very low	35.6	Very low	172 Å²	172	144.4 Å²	144.4	75%	0.748	73%	0.732	S	S	*	*			trans	40.3	153.5	139.7	-67.5	-162.6	164.5	-143.8	0	122
414	M	39	Very low	35.7	Very low	126 Å²	126	144.5 Å²	144.5	62%	0.621	74%	0.738	S	S	*	*			cis	177.8	147.7	-13.7	-100	172.8	74.8	0	0	103.8
415	D	37	Very low	35.9	Very low	120 Å²	120	145.7 Å²	145.7	64%	0.642	75%	0.75	S	S	*	*			cis	-129.8	-170.4	-3	-67.6	-55.3	0	0	0	107.3
416	D	36.9	Very low	36.4	Very low	154 Å²	154	142.9 Å²	142.9	82%	0.824	75%	0.75	S	S	*	*			cis	65.7	142.6	28.1	-85.7	-59.1	0	0	0	116.2
417	S	35.1	Very low	36.7	Very low	85 Å²	85	142.2 Å²	142.2	59%	0.594	75%	0.751	S	S	*	*			cis	-154.8	170.3	-3.2	44.2	0	0	0	0	108.3
418	H	39.6	Very low	36.6	Very low	165 Å²	165	145.2 Å²	145.2	76%	0.764	76%	0.762	S	S	*	*				-177.5	155.2	55	-119	-65	0	0	0	112.1
419	T	35.3	Very low	36.5	Very low	104 Å²	104	144.1 Å²	144.1	64%	0.638	76%	0.764	S	S	*	*			trans	46.3	118.6	146.2	-22.9	0	0	0	0	119.4
420	Q	35.3	Very low	36.6	Very low	156 Å²	156	142 Å²	142	73%	0.729	76%	0.758	S	S	*	*				51.4	143.6	72.9	-69.3	-173.7	-19.4	0	0	114.4
421	Q	34.4	Very low	36.6	Very low	141 Å²	141	146.1 Å²	146.1	66%	0.659	77%	0.765	S	S	*	*			cis	-158.8	161.6	3	-126.2	170	2	0	0	111.2
422	N	32	Very low	36.4	Very low	133 Å²	133	139.8 Å²	139.8	71%	0.711	76%	0.756	S	S	*	*			trans	41.1	119	151.8	-55.7	-15.2	0	0	0	121.3
423	I	34.5	Very low	36.1	Very low	170 Å²	170	143.5 Å²	143.5	87%	0.872	76%	0.762	S	S	*	*				-169.9	151	111.8	-97	157.1	0	0	0	109.9
424	T	36	Very low	35.6	Very low	132 Å²	132	145.5 Å²	145.5	81%	0.81	77%	0.765	S	S	*	*			trans	-99.1	128.9	-169	51	0	0	0	0	114.4
425	T	38.8	Very low	35.2	Very low	141 Å²	141	144.6 Å²	144.6	87%	0.865	77%	0.771	S	S	*	*			trans	-142.5	146.3	152.3	42.6	0	0	0	0	110.5
426	N	40.2	Very low	34.9	Very low	162 Å²	162	146 Å²	146	87%	0.866	78%	0.776	S	S	*	*			trans	-84.3	139.7	-177.1	-65	-55.3	0	0	0	111.8
427	L	39.1	Very low	34.7	Very low	162 Å²	162	147 Å²	147	85%	0.848	78%	0.776	S	S	*	*			trans	-150.5	108.7	160.5	-111	161.3	0	0	0	110.1
428	N	37.3	Very low	34.5	Very low	161 Å²	161	149.8 Å²	149.8	86%	0.861	79%	0.789	S	S	*	*			trans	-79.4	120.2	173.6	-76.3	-25.3	0	0	0	109.6
429	T	35.9	Very low	34.3	Very low	133 Å²	133	149.6 Å²	149.6	82%	0.816	79%	0.793	S	S	*	*			trans	-145.5	133.8	160.4	-37.1	0	0	0	0	109.4
430	T	36.8	Very low	34.2	Very low	116 Å²	116	149 Å²	149	71%	0.712	79%	0.793	S	S	*	*			trans	-103.2	152.4	-163.6	49.6	0	0	0	0	113.8
431	N	34.3	Very low	34.4	Very low	154 Å²	154	148 Å²	148	82%	0.824	80%	0.8	S	S	*	*			trans	72.8	147.2	152.9	-68.1	-37.3	0	0	0	120.8
432	S	30.9	Very low	34.5	Very low	103 Å²	103	147 Å²	147	72%	0.72	80%	0.804	S	S	*	*			trans	68.3	98.9	158.8	-173.7	0	0	0	0	118
433	Y	29.7	Very low	34.6	Very low	224 Å²	224	148.4 Å²	148.4	88%	0.878	81%	0.811	S	S	*	*				-143.1	161.8	113.8	-127.6	-89.5	0	0	0	112.7
434	R	29.8	Very low	34.6	Very low	214 Å²	214	150.6 Å²	150.6	81%	0.808	81%	0.809	S	S	*	*			trans	-78.9	161.7	-173.9	-77.1	173.6	165	152.2	-5.8	113.7
435	S	29.9	Very low	34.5	Very low	107 Å²	107	152.9 Å²	152.9	75%	0.748	81%	0.808	S	S	*	*			trans	64.8	123.6	143.9	59.3	0	0	0	0	119.8
436	I	31.1	Very low	34.2	Very low	148 Å²	148	151.8 Å²	151.8	76%	0.759	81%	0.806	S	S	*	*				-167.2	137.2	123.1	-94.7	147.5	0	0	0	107.2
437	H	33.2	Very low	34	Very low	177 Å²	177	153 Å²	153	82%	0.819	81%	0.807	S	S	*	*			trans	167.7	53.2	148.1	-91.5	-61	0	0	0	111.2
438	T	31	Very low	34	Very low	142 Å²	142	154.2 Å²	154.2	87%	0.871	81%	0.808	S	S	*	*			trans	-101.3	95.9	162.9	46.2	0	0	0	0	108.7
439	L	34.3	Very low	33.8	Very low	161 Å²	161	156.3 Å²	156.3	84%	0.843	81%	0.809	S	S	*	*			trans	-144.7	131.1	172.9	-101.3	162.9	0	0	0	109.4
440	S	33.3	Very low	33.9	Very low	91 Å²	91	155.6 Å²	155.6	64%	0.636	81%	0.809	S	S	*	*			trans	-97.9	142.6	-170.7	-56.4	0	0	0	0	113.2	T442	S440-T442 VanDerWaalsContact C-N 3.27Å; S440-T442 PolarHBondContact O-N 3.39Å
441	P	40.9	Very low	34.2	Very low	135 Å²	135	155.4 Å²	155.4	88%	0.877	81%	0.813	S	S	*	*			trans	-87.8	60.9	158.9	35.4	-32.8	0	0	0	110.8	L443	P441-L443 VanDerWaalsContact C-N 3.29Å; P441-L443 PolarHBondContact O-N 3.49Å; P441-L443 VanDerWaalsContact O-N 3.11Å
442	T	35.7	Very low	34.6	Very low	121 Å²	121	154.5 Å²	154.5	74%	0.742	81%	0.808	S	S	*	*			trans	-83.4	65	174.8	39.9	0	0	0	0	111.7	S440	S440-T442 VanDerWaalsContact C-N 3.27Å; S440-T442 PolarHBondContact O-N 3.39Å
443	L	34.5	Very low	35.1	Very low	162 Å²	162	157.1 Å²	157.1	85%	0.848	81%	0.808	S	S	*	*			trans	-162.4	65.5	172.8	-118.1	172.5	0	0	0	114.6	P441	P441-L443 VanDerWaalsContact C-N 3.29Å; P441-L443 PolarHBondContact O-N 3.49Å; P441-L443 VanDerWaalsContact O-N 3.11Å
444	Y	33.8	Very low	35.7	Very low	216 Å²	216	156.5 Å²	156.5	85%	0.847	81%	0.81	S	S	*	*	S	Bend	trans	-154.4	147.8	156.8	-144	-117.7	0	0	0	114.9
445	K	34.7	Very low	36.3	Very low	181 Å²	181	155.6 Å²	155.6	79%	0.787	81%	0.812	S	S	*	*			trans	54.8	72.2	174.4	-84.1	-178.9	173.9	179.5	0	117.8
446	S	31.8	Very low	37	Very low	117 Å²	117	156 Å²	156	82%	0.818	80%	0.802	S	S	*	*			trans	-83.5	91.4	148.7	54.6	0	0	0	0	111.5
447	H	36.8	Very low	37.6	Very low	189 Å²	189	157 Å²	157	88%	0.875	80%	0.803	S	S	*	*			trans	-159.8	169	154.7	-133.6	-117.5	0	0	0	111.4
448	E	38.4	Very low	38	Very low	186 Å²	186	156.5 Å²	156.5	87%	0.869	81%	0.805	S	S	*	*			trans	62.5	58.3	171.7	-151.3	-179.6	166.4	0	0	116.5
449	K	32.5	Very low	38.6	Very low	206 Å²	206	156 Å²	156	90%	0.896	79%	0.793	S	S	*	*			trans	-135.2	98.4	164.5	-73.2	-176.2	-178.8	174.4	0	112
450	S	39.1	Very low	38.9	Very low	117 Å²	117	156 Å²	156	82%	0.818	78%	0.783	S	S	*	*	S	Bend	trans	-152.1	-38.4	166.9	61.9	0	0	0	0	114.9
451	S	43	Very low	39.4	Very low	113 Å²	113	156.6 Å²	156.6	79%	0.79	79%	0.786	S	S	*	*	S	Bend	trans	-87.5	-21.5	-167.1	57.2	0	0	0	0	116.7
452	L	41.9	Very low	39.6	Very low	135 Å²	135	154.4 Å²	154.4	71%	0.707	77%	0.773	S	S	*	*	S	Bend	trans	-94.7	0.1	-165.1	-148.8	79.3	0	0	0	116.1	K454	L452-K454 PolarHBondContact O-N 2.98Å
453	H	42.3	Very low	40.1	Very low	157 Å²	157	152 Å²	152	73%	0.727	76%	0.758	S	S	*	*	G	3₁₀ helix	trans	-77.1	-23.3	-164	-130.7	-104.6	0	0	0	115.6	K455	H453-K455 PolarHBondContact O-N 3.49Å
454	K	41.9	Very low	40.5	Very low	211 Å²	211	148.1 Å²	148.1	92%	0.917	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-78.4	-15.7	-171.7	-109.8	179	180	177.2	0	116	L452	L452-K454 PolarHBondContact O-N 2.98Å
455	K	42.6	Very low	41	Very low	195 Å²	195	146 Å²	146	85%	0.848	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-93.6	-13.8	-179	-82.9	-172.2	175.3	179.5	0	115.4	H453	H453-K455 PolarHBondContact O-N 3.49Å
456	Q	44.7	Very low	41.7	Very low	117 Å²	117	140 Å²	140	55%	0.547	72%	0.719	S	S	.	*	S	Bend	trans	-79.2	-28.5	-174.1	-70.6	-174.1	-12.6	0	0	114.2	L458 H459 Y460	Q456-L458 PolarHBondContact O-N 3.08Å; Q456-H459 PolarHBondContact O-N 3.31Å; Q456-H459 VanDerWaalsContact O-N 3.14Å; Q456-Y460 PolarHBondContact O-N 2.92Å
457	H	42.3	Very low	42.5	Very low	169 Å²	169	135.7 Å²	135.7	78%	0.782	69%	0.693	S	S	*	*	H	α-helix	trans	-62.9	-36.8	-170.2	-130.4	-94.7	0	0	0	114	H459	H457-H459 VanDerWaalsContact C-N 3.35Å
458	L	41.9	Very low	43.3	Very low	166 Å²	166	132 Å²	132	87%	0.869	67%	0.674	S	S	*	*	H	α-helix	trans	-72.8	-27.9	179.1	-161.7	69.5	0	0	0	112.6	Q456	Q456-L458 PolarHBondContact O-N 3.08Å
459	H	45.2	Very low	44	Very low	131 Å²	131	131.7 Å²	131.7	61%	0.606	67%	0.665	S	S	*	*	H	α-helix	trans	-80.1	-26.3	180	-163.8	-101.2	0	0	0	112.4	Q456 H457	Q456-H459 PolarHBondContact O-N 3.31Å; Q456-H459 VanDerWaalsContact O-N 3.14Å; H457-H459 VanDerWaalsContact C-N 3.35Å
460	Y	40.3	Very low	45.5	Very low	161 Å²	161	127.8 Å²	127.8	63%	0.631	65%	0.65	S	S	*	*	H	α-helix	trans	-68.1	-42.4	-173.3	-149.4	-102.1	0	0	0	113	Q456 C462 T463 C464	Q456-Y460 PolarHBondContact O-N 2.92Å; Y460-C462 PolarHBondContact O-N 3.26Å; Y460-T463 PolarHBondContact O-N 2.77Å; Y460-T463 PolarHBondContact O-OG1 3.36Å; Y460-C464 PolarHBondContact O-N 3.49Å
461	C	42.9	Very low	47.1	Very low	103 Å²	103	122.4 Å²	122.4	70%	0.696	61%	0.613	S	S	*	*	H	α-helix	trans	-55.7	-48.2	-175.7	-173.8	0	0	0	0	112.9	T463 C464	C461-T463 VanDerWaalsContact C-N 3.29Å; C461-T463 PolarHBondContact O-N 2.94Å; C461-C464 PolarHBondContact O-N 3.01Å
462	C	44.8	Very low	49.1	Very low	89 Å²	89	119.3 Å²	119.3	60%	0.601	59%	0.588	S	S	*	*	H	α-helix	trans	-67.1	-29.4	178.8	-165.1	0	0	0	0	112.6	Y460 C466	Y460-C462 PolarHBondContact O-N 3.26Å; C462-C466 WeakPolarHBondContact O-CB 3.24Å; C462-C466 PolarHBondContact O-N 3.23Å
463	T	46.7	Very low	51.3	Low	71 Å²	71	113.5 Å²	113.5	44%	0.436	56%	0.557	S	S	.	*	H	α-helix	trans	-77.9	-18.6	-179.3	59.2	0	0	0	0	115.1	Y460 C461	Y460-T463 PolarHBondContact O-N 2.77Å; Y460-T463 PolarHBondContact O-OG1 3.36Å; C461-T463 VanDerWaalsContact C-N 3.29Å; C461-T463 PolarHBondContact O-N 2.94Å
464	C	42.4	Very low	53.6	Low	81 Å²	81	106.1 Å²	106.1	55%	0.547	52%	0.523	S	S	.	.	H	α-helix	trans	-73	-31.9	-176.9	-79.3	0	0	0	0	114.1	Y460 C461	Y460-C464 PolarHBondContact O-N 3.49Å; C461-C464 PolarHBondContact O-N 3.01Å
465	F	44.4	Very low	55.9	Low	171 Å²	171	96.9 Å²	96.9	75%	0.75	48%	0.484	S	S	*	.	H	α-helix	trans	-102.6	-37.2	175.6	-87.1	-87.9	0	0	0	113.7	G467 L476	F465-G467 PolarHBondContact O-N 3.08Å; F465-L476 VanDerWaalsContact C-CD2 3.49Å; F465-L476 HydrophobicContact CB-CD2 4.11Å; F465-L476 WeakPolarHBondContact O-CD2 3.38Å
466	C	50.1	Low	58.2	Low	55 Å²	55	90.2 Å²	90.2	37%	0.372	46%	0.457	S	S	.	.	S	Bend	trans	-75.4	44.3	-176.9	-64.8	0	0	0	0	114.3	C462 K468 F473	C462-C466 WeakPolarHBondContact O-CB 3.24Å; C462-C466 PolarHBondContact O-N 3.23Å; C466-K468 PolarHBondContact O-N 3.27Å; C466-F473 HydrophobicContact CB-CD2 4.44Å; C466-F473 HydrophobicContact CB-CE2 4.39Å
467	G	48.5	Very low	60.4	Low	26 Å²	26	85.3 Å²	85.3	27%	0.268	44%	0.435	S	S	.	.			trans	-72.6	91.9	-172.3	0	0	0	0	0	114.4	F465 R469 Q470	F465-G467 PolarHBondContact O-N 3.08Å; G467-R469 PolarHBondContact O-N 3.07Å; G467-Q470 PolarHBondContact O-N 2.96Å; G467-Q470 VanDerWaalsContact O-N 3.09Å
468	K	54.5	Low	62.8	Low	111 Å²	111	77.4 Å²	77.4	48%	0.483	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-13.9	162.5	-65.4	-175.2	-177.1	-175.9	0	113.9	Q198 C466 F473	Q198-K468 WeakPolarHBondContact O-CE 3.09Å; Q198-K468 PolarHBondContact O-NZ 3.03Å; Q198-K468 VanDerWaalsContact O-NZ 3.09Å; C466-K468 PolarHBondContact O-N 3.27Å; K468-F473 HydrophobicContact CG-CD2 4.28Å
469	R	52.9	Low	65.3	Low	181 Å²	181	71 Å²	71	68%	0.683	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-25.7	175.1	-62.8	178.8	77.5	152.6	0.7	114.6	G467	G467-R469 PolarHBondContact O-N 3.07Å
470	Q	62.2	Low	67.6	Low	124 Å²	124	69.7 Å²	69.7	58%	0.579	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-29.9	-174.8	-69	-170.2	-5.3	0	0	114.7	G467 N472 R624	G467-Q470 PolarHBondContact O-N 2.96Å; G467-Q470 VanDerWaalsContact O-N 3.09Å; Q470-N472 HydrophobicContact CB-CB 4.37Å; Q470-N472 PolarHBondContact OE1-ND2 3.08Å; Q470-R624 PolarHBondContact O-NH1 3.44Å
471	G	73.7	Confident	70.1	Confident	4 Å²	4	62.2 Å²	62.2	4%	0.041	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	37.3	-168	0	0	0	0	0	112.6	D626	G471-D626 VanDerWaalsContact O-CB 3.31Å; G471-D626 WeakPolarHBondContact O-CB 3.16Å; G471-D626 PolarHBondContact O-N 3.38Å
472	N	85.3	Confident	72.6	Confident	48 Å²	48	57.6 Å²	57.6	26%	0.257	30%	0.295	S	S	.	.			trans	-125.8	12.6	179.2	-54	1	0	0	0	111.1	Q470 L476 P625 D626	Q470-N472 HydrophobicContact CB-CB 4.37Å; Q470-N472 PolarHBondContact OE1-ND2 3.08Å; N472-L476 VanDerWaalsContact O-CB 3.31Å; N472-L476 WeakPolarHBondContact O-CB 3.26Å; N472-L476 PolarHBondContact O-N 3.47Å; N472-P625 VanDerWaalsContact OD1-CD 3.31Å; N472-P625 WeakPolarHBondContact OD1-CD 3.5Å; N472-P625 VanDerWaalsContact OD1-CG 3.23Å; N472-P625 WeakPolarHBondContact OD1-CG 3.42Å; N472-D626 WeakPolarHBondContact CA-OD1 3.23Å; N472-D626 PolarHBondContact N-OD2 3.2Å
473	F	87.5	Confident	75	Confident	13 Å²	13	58.3 Å²	58.3	6%	0.057	29%	0.288	C	S	.	.	H	α-helix	trans	-70.5	-41	-170.8	170.8	-84.8	0	0	0	111.2	Q198 C466 K468 L476 L477 D626	Q198-F473 HydrophobicContact CB-CE1 4.26Å; Q198-F473 HydrophobicContact CB-CZ 3.95Å; C466-F473 HydrophobicContact CB-CD2 4.44Å; C466-F473 HydrophobicContact CB-CE2 4.39Å; K468-F473 HydrophobicContact CG-CD2 4.28Å; F473-L476 PolarHBondContact O-N 3.27Å; F473-L477 HydrophobicContact CE1-CD2 4.23Å; F473-L477 VanDerWaalsContact O-CB 3.3Å; F473-L477 WeakPolarHBondContact O-CB 3.23Å; F473-L477 PolarHBondContact O-N 2.89Å; F473-D626 PolarHBondContact N-OD1 3.01Å; F473-D626 VanDerWaalsContact N-OD1 3.13Å; F473-D626 PolarHBondContact N-OD2 3.35Å
474	L	90.1	Very high	77.3	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-68.4	-45.4	-179.3	-160.8	178.8	0	0	0	109.3	W192 F201 V203 L476 L477 Y478 D626 F629	W192-L474 HydrophobicContact CH2-CD2 3.66Å; W192-L474 HydrophobicContact CZ3-CD2 4.23Å; F201-L474 HydrophobicContact CB-CD1 4.38Å; F201-L474 HydrophobicContact CD2-CD1 4.28Å; V203-L474 HydrophobicContact CG2-CD1 3.62Å; V203-L474 HydrophobicContact CG2-CG 4.25Å; L474-L476 PolarHBondContact O-N 2.91Å; L474-L477 PolarHBondContact O-N 3.29Å; L474-Y478 PolarHBondContact O-N 3.07Å; L474-D626 WeakPolarHBondContact CA-OD1 3.49Å; L474-D626 HydrophobicContact CB-CB 4.04Å; L474-D626 VanDerWaalsContact CB-CG 3.45Å; L474-D626 VanDerWaalsContact CB-OD1 3.29Å; L474-D626 WeakPolarHBondContact CB-OD1 3.39Å; L474-D626 PolarHBondContact N-OD1 2.9Å; L474-D626 PolarHBondContact N-OD2 2.83Å; L474-F629 HydrophobicContact CD2-CD1 3.36Å; L474-F629 HydrophobicContact CD2-CE1 3.31Å; L474-F629 HydrophobicContact CD2-CG 4.32Å; L474-F629 HydrophobicContact CD2-CZ 4.27Å
475	V	91.3	Very high	79.9	Confident	17 Å²	17	52.8 Å²	52.8	10%	0.103	25%	0.25	C	S	.	.	H	α-helix	trans	-57	-49.1	173.3	173.2	0	0	0	0	111.7	Y478 F479 M587 P625 D626 F629	V475-Y478 PolarHBondContact O-N 2.83Å; V475-F479 HydrophobicContact CG1-CD2 3.8Å; V475-F479 HydrophobicContact CG1-CE2 3.67Å; V475-F479 VanDerWaalsContact O-CD2 3.27Å; V475-F479 WeakPolarHBondContact O-CD2 3.44Å; V475-F479 PolarHBondContact O-N 3.24Å; V475-F479 VanDerWaalsContact O-N 3.08Å; V475-M587 HydrophobicContact CG2-SD 4.39Å; V475-P625 HydrophobicContact CG2-CB 4.12Å; V475-P625 WeakPolarHBondContact CG2-O 3.47Å; V475-D626 PolarHBondContact N-OD1 3.4Å; V475-F629 HydrophobicContact CG2-CB 3.61Å; V475-F629 HydrophobicContact CG2-CD2 4.32Å; V475-F629 HydrophobicContact CG2-CG 4.1Å
476	L	90.9	Very high	82.3	Confident	55 Å²	55	45.9 Å²	45.9	29%	0.288	22%	0.221	S	C	.	.	H	α-helix	trans	-63.7	-44.4	-179.7	-179	70.9	0	0	0	111.9	F465 N472 F473 L474 Y478 F479 F480	F465-L476 VanDerWaalsContact C-CD2 3.49Å; F465-L476 HydrophobicContact CB-CD2 4.11Å; F465-L476 WeakPolarHBondContact O-CD2 3.38Å; N472-L476 VanDerWaalsContact O-CB 3.31Å; N472-L476 WeakPolarHBondContact O-CB 3.26Å; N472-L476 PolarHBondContact O-N 3.47Å; F473-L476 PolarHBondContact O-N 3.27Å; L474-L476 PolarHBondContact O-N 2.91Å; L476-Y478 VanDerWaalsContact C-N 3.25Å; L476-Y478 PolarHBondContact O-N 3.38Å; L476-F479 PolarHBondContact O-N 3.43Å; L476-F480 WeakPolarHBondContact O-CB 3.39Å; L476-F480 PolarHBondContact O-N 3.49Å
477	L	91.4	Very high	84.5	Confident	14 Å²	14	47.3 Å²	47.3	7%	0.073	22%	0.224	C	C	.	.	H	α-helix	trans	-61.1	-36.7	178	-179.8	66.6	0	0	0	111.7	W192 F195 M196 F473 L474 T481	W192-L477 HydrophobicContact CE3-CD2 3.92Å; W192-L477 HydrophobicContact CE3-CG 3.89Å; W192-L477 HydrophobicContact CZ3-CB 4.41Å; W192-L477 HydrophobicContact CZ3-CD2 4.17Å; W192-L477 HydrophobicContact CZ3-CG 4.17Å; F195-L477 HydrophobicContact CB-CD1 3.65Å; F195-L477 HydrophobicContact CB-CD2 3.6Å; F195-L477 HydrophobicContact CB-CG 4.29Å; F195-L477 HydrophobicContact CG-CD1 4.37Å; M196-L477 HydrophobicContact CB-CD2 4.48Å; F473-L477 HydrophobicContact CE1-CD2 4.23Å; F473-L477 VanDerWaalsContact O-CB 3.3Å; F473-L477 WeakPolarHBondContact O-CB 3.23Å; F473-L477 PolarHBondContact O-N 2.89Å; L474-L477 PolarHBondContact O-N 3.29Å; L477-T481 WeakPolarHBondContact O-CB 3.32Å; L477-T481 PolarHBondContact O-N 3.25Å; L477-T481 PolarHBondContact O-OG1 3.39Å
478	Y	92.4	Very high	86.8	Confident	3 Å²	3	46.9 Å²	46.9	1%	0.012	22%	0.216	C	C	.	.	H	α-helix	trans	-68.3	-43.8	176.8	-170.4	-110.3	0	0	0	112	D92 D95 W192 L474 V475 L476 T481 K482 W583 F629	D92-Y478 WeakPolarHBondContact CB-OH 3.48Å; D95-Y478 PolarHBondContact OD2-OH 3.06Å; W192-Y478 HydrophobicContact CE3-CD2 4.25Å; W192-Y478 AromaticContact CH2-CD2 3.67Å; W192-Y478 HydrophobicContact CH2-CD2 3.67Å; W192-Y478 HydrophobicContact CH2-CG 4.25Å; W192-Y478 HydrophobicContact CZ2-CD2 4.08Å; W192-Y478 AromaticContact CZ3-CD2 3.79Å; W192-Y478 HydrophobicContact CZ3-CD2 3.79Å; W192-Y478 HydrophobicContact CZ3-CG 4.21Å; L474-Y478 PolarHBondContact O-N 3.07Å; V475-Y478 PolarHBondContact O-N 2.83Å; L476-Y478 VanDerWaalsContact C-N 3.25Å; L476-Y478 PolarHBondContact O-N 3.38Å; Y478-T481 WeakPolarHBondContact O-CB 3.41Å; Y478-T481 PolarHBondContact O-N 3.38Å; Y478-K482 HydrophobicContact CE1-CD 4.15Å; Y478-K482 PolarHBondContact O-N 2.77Å; Y478-K482 WeakPolarHBondContact OH-CE 3.45Å; Y478-K482 PolarHBondContact OH-NZ 2.61Å; Y478-W583 AromaticContact CE1-CD2 3.64Å; Y478-W583 HydrophobicContact CE1-CD2 3.64Å; Y478-W583 AromaticContact CE1-CE2 3.81Å; Y478-W583 AromaticContact CE1-CE3 3.88Å; Y478-W583 HydrophobicContact CE1-CE3 3.88Å; Y478-W583 AromaticContact CE1-CG 3.97Å; Y478-W583 HydrophobicContact CE1-CG 3.97Å; Y478-W583 HydrophobicContact CE1-CH2 4.39Å; Y478-W583 HydrophobicContact CE1-CZ2 4.19Å; Y478-W583 HydrophobicContact CE1-CZ3 4.26Å; Y478-F629 HydrophobicContact CD1-CD2 4.46Å; Y478-F629 AromaticContact CD1-CE2 3.32Å; Y478-F629 HydrophobicContact CD1-CE2 3.32Å; Y478-F629 AromaticContact CD1-CZ 3.65Å; Y478-F629 HydrophobicContact CD1-CZ 3.65Å; Y478-F629 HydrophobicContact CD2-CE2 4.33Å; Y478-F629 AromaticContact CD2-CZ 3.78Å; Y478-F629 HydrophobicContact CD2-CZ 3.78Å; Y478-F629 AromaticContact CE1-CE2 3.64Å; Y478-F629 HydrophobicContact CE1-CE2 3.64Å; Y478-F629 AromaticContact CE1-CZ 3.92Å; Y478-F629 HydrophobicContact CE1-CZ 3.92Å; Y478-F629 HydrophobicContact CE2-CZ 4.08Å; Y478-F629 AromaticContact CG-CE2 3.67Å; Y478-F629 HydrophobicContact CG-CE2 3.67Å; Y478-F629 AromaticContact CG-CZ 3.53Å; Y478-F629 HydrophobicContact CG-CZ 3.53Å
479	F	93.6	Very high	88.8	Confident	32 Å²	32	41.9 Å²	41.9	14%	0.14	19%	0.194	C	C	.	.	H	α-helix	trans	-62.6	-42.1	173	-81	-61.5	0	0	0	112.9	V475 L476 T481 K482 F483 F580 W583 F584 M587	V475-F479 HydrophobicContact CG1-CD2 3.8Å; V475-F479 HydrophobicContact CG1-CE2 3.67Å; V475-F479 VanDerWaalsContact O-CD2 3.27Å; V475-F479 WeakPolarHBondContact O-CD2 3.44Å; V475-F479 PolarHBondContact O-N 3.24Å; V475-F479 VanDerWaalsContact O-N 3.08Å; L476-F479 PolarHBondContact O-N 3.43Å; F479-T481 VanDerWaalsContact C-N 3.31Å; F479-T481 PolarHBondContact O-N 3.1Å; F479-K482 PolarHBondContact O-N 2.85Å; F479-F483 WeakPolarHBondContact O-CB 3.35Å; F479-F483 PolarHBondContact O-N 3.2Å; F479-F580 HydrophobicContact CD1-CD2 4.34Å; F479-F580 AromaticContact CD1-CE2 3.93Å; F479-F580 HydrophobicContact CD1-CE2 3.93Å; F479-W583 HydrophobicContact CE1-CB 4.13Å; F479-W583 HydrophobicContact CZ-CB 4.44Å; F479-W583 WeakPolarHBondContact CZ-O 3.27Å; F479-F584 HydrophobicContact CE1-CB 4Å; F479-F584 HydrophobicContact CE1-CD2 4.28Å; F479-F584 HydrophobicContact CZ-CB 4.42Å; F479-M587 HydrophobicContact CE2-CB 3.89Å; F479-M587 HydrophobicContact CE2-CG 4.42Å; F479-M587 HydrophobicContact CZ-CB 3.9Å; F479-M587 HydrophobicContact CZ-CG 4.33Å
480	F	93.9	Very high	90.7	Very high	103 Å²	103	39 Å²	39	45%	0.452	19%	0.191	S	C	.	.	H	α-helix	trans	-60	-42	173.7	-179.9	-111.8	0	0	0	111.5	I191 L476 F483 L484	I191-F480 HydrophobicContact CG2-CD1 4.36Å; I191-F480 HydrophobicContact CG2-CE1 4.11Å; L476-F480 WeakPolarHBondContact O-CB 3.39Å; L476-F480 PolarHBondContact O-N 3.49Å; F480-F483 PolarHBondContact O-N 3.11Å; F480-L484 HydrophobicContact CD1-CD1 3.99Å; F480-L484 HydrophobicContact CE1-CD1 3.54Å; F480-L484 HydrophobicContact CE1-CG 4.31Å; F480-L484 HydrophobicContact CE2-CD1 4.41Å; F480-L484 HydrophobicContact CE2-CG 4.36Å; F480-L484 HydrophobicContact CZ-CD1 3.78Å; F480-L484 HydrophobicContact CZ-CD2 4.34Å; F480-L484 HydrophobicContact CZ-CG 4.18Å; F480-L484 WeakPolarHBondContact O-CG 3.34Å; F480-L484 PolarHBondContact O-N 3.06Å
481	T	93.3	Very high	92.2	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.025	18%	0.181	C	C	.	.	H	α-helix	trans	-61.7	-46.8	176	-57.6	0	0	0	0	111.9	P188 W192 L477 Y478 F479 L484 Y485	P188-T481 HydrophobicContact CB-CG2 4.19Å; W192-T481 HydrophobicContact CB-CG2 3.93Å; L477-T481 WeakPolarHBondContact O-CB 3.32Å; L477-T481 PolarHBondContact O-N 3.25Å; L477-T481 PolarHBondContact O-OG1 3.39Å; Y478-T481 WeakPolarHBondContact O-CB 3.41Å; Y478-T481 PolarHBondContact O-N 3.38Å; F479-T481 VanDerWaalsContact C-N 3.31Å; F479-T481 PolarHBondContact O-N 3.1Å; T481-L484 WeakPolarHBondContact O-CB 3.33Å; T481-L484 PolarHBondContact O-N 2.96Å; T481-Y485 HydrophobicContact CG2-CD2 4.39Å; T481-Y485 HydrophobicContact CG2-CE2 3.91Å; T481-Y485 PolarHBondContact O-N 2.69Å
482	K	94.4	Very high	93.2	Very high	6 Å²	6	34.7 Å²	34.7	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-66	-37.3	176.4	-72.3	-168.2	-174.6	-75.3	0	113.1	D92 D95 Y478 F479 L484 Y485 L486 S579 F580 W583	D92-K482 IonicContact OD2-NZ 2.78Å; D95-K482 IonicContact OD1-NZ 2.71Å; D95-K482 PolarHBondContact OD1-NZ 3.25Å; D95-K482 IonicContact OD2-NZ 3.75Å; D95-K482 PolarHBondContact OD2-NZ 3.03Å; Y478-K482 HydrophobicContact CE1-CD 4.15Å; Y478-K482 PolarHBondContact O-N 2.77Å; Y478-K482 WeakPolarHBondContact OH-CE 3.45Å; Y478-K482 PolarHBondContact OH-NZ 2.61Å; F479-K482 PolarHBondContact O-N 2.85Å; K482-L484 VanDerWaalsContact C-N 3.3Å; K482-L484 PolarHBondContact O-N 2.94Å; K482-Y485 PolarHBondContact O-N 3.07Å; K482-L486 PolarHBondContact O-N 2.75Å; K482-L486 VanDerWaalsContact O-N 3.09Å; K482-S579 PolarHBondContact NZ-OG 3.23Å; K482-F580 HydrophobicContact CB-CD2 3.74Å; K482-F580 HydrophobicContact CB-CE2 4.48Å; K482-W583 VanDerWaalsContact CE-CD1 3.5Å
483	F	95.1	Very high	93.5	Very high	104 Å²	104	34.3 Å²	34.3	46%	0.456	18%	0.177	S	C	.	.	H	α-helix	trans	-63.1	-37.6	173.7	-177	-116.7	0	0	0	111.8	F479 F480 L486 I487 F580	F479-F483 WeakPolarHBondContact O-CB 3.35Å; F479-F483 PolarHBondContact O-N 3.2Å; F480-F483 PolarHBondContact O-N 3.11Å; F483-L486 PolarHBondContact O-N 3.17Å; F483-I487 HydrophobicContact CD1-CD1 3.9Å; F483-I487 HydrophobicContact CE1-CD1 3.4Å; F483-I487 VanDerWaalsContact CE1-CD1 3.4Å; F483-I487 HydrophobicContact CE1-CG1 4.39Å; F483-I487 HydrophobicContact CE2-CD1 4.27Å; F483-I487 HydrophobicContact CE2-CG1 4.47Å; F483-I487 HydrophobicContact CZ-CD1 3.62Å; F483-I487 HydrophobicContact CZ-CG1 4.27Å; F483-I487 PolarHBondContact O-N 3.31Å; F483-F580 HydrophobicContact CB-CE2 4.36Å
484	L	96	Very high	93.7	Very high	34 Å²	34	39.9 Å²	39.9	18%	0.178	20%	0.202	C	C	.	.	H	α-helix	trans	-67	-34.5	172.2	-72.4	176.8	0	0	0	113.4	P188 I191 F480 T481 K482 N488	P188-L484 HydrophobicContact CB-CB 3.94Å; P188-L484 HydrophobicContact CG-CB 3.97Å; I191-L484 HydrophobicContact CD1-CD1 3.66Å; I191-L484 HydrophobicContact CG2-CD1 4.33Å; F480-L484 HydrophobicContact CD1-CD1 3.99Å; F480-L484 HydrophobicContact CE1-CD1 3.54Å; F480-L484 HydrophobicContact CE1-CG 4.31Å; F480-L484 HydrophobicContact CE2-CD1 4.41Å; F480-L484 HydrophobicContact CE2-CG 4.36Å; F480-L484 HydrophobicContact CZ-CD1 3.78Å; F480-L484 HydrophobicContact CZ-CD2 4.34Å; F480-L484 HydrophobicContact CZ-CG 4.18Å; F480-L484 WeakPolarHBondContact O-CG 3.34Å; F480-L484 PolarHBondContact O-N 3.06Å; T481-L484 WeakPolarHBondContact O-CB 3.33Å; T481-L484 PolarHBondContact O-N 2.96Å; K482-L484 VanDerWaalsContact C-N 3.3Å; K482-L484 PolarHBondContact O-N 2.94Å; L484-N488 VanDerWaalsContact O-CB 3.23Å; L484-N488 WeakPolarHBondContact O-CB 3.46Å; L484-N488 PolarHBondContact O-N 3.08Å
485	Y	95.6	Very high	93.7	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-62.9	-42.8	170.1	-73.5	-57.1	0	0	0	111.7	D95 N98 Y99 P188 C189 T481 K482 N488 I489	D95-Y485 HydrophobicContact CB-CE2 3.93Å; N98-Y485 HydrophobicContact CB-CD1 3.55Å; N98-Y485 HydrophobicContact CB-CE1 3.52Å; N98-Y485 HydrophobicContact CB-CG 4.31Å; Y99-Y485 WeakPolarHBondContact CD1-OH 3.38Å; P188-Y485 HydrophobicContact CB-CD1 3.77Å; P188-Y485 HydrophobicContact CB-CD2 4.34Å; P188-Y485 HydrophobicContact CB-CE1 3.66Å; P188-Y485 HydrophobicContact CB-CE2 4.25Å; P188-Y485 HydrophobicContact CB-CG 4.1Å; P188-Y485 HydrophobicContact CG-CD1 3.64Å; P188-Y485 HydrophobicContact CG-CE1 3.82Å; P188-Y485 HydrophobicContact CG-CG 4.23Å; C189-Y485 VanDerWaalsContact CB-OH 3.31Å; C189-Y485 WeakPolarHBondContact CB-OH 3.46Å; T481-Y485 HydrophobicContact CG2-CD2 4.39Å; T481-Y485 HydrophobicContact CG2-CE2 3.91Å; T481-Y485 PolarHBondContact O-N 2.69Å; K482-Y485 PolarHBondContact O-N 3.07Å; Y485-N488 WeakPolarHBondContact O-CB 3.2Å; Y485-N488 PolarHBondContact O-N 3.24Å; Y485-I489 WeakPolarHBondContact O-CG1 3.47Å; Y485-I489 PolarHBondContact O-N 3.35Å
486	L	96.2	Very high	93.6	Very high	26 Å²	26	42 Å²	42	14%	0.136	21%	0.211	C	C	.	.	H	α-helix	trans	-63	-48	177.1	-69.8	171.6	0	0	0	112.2	K482 F483 N488 I489 I490 T576 L577 F580	K482-L486 PolarHBondContact O-N 2.75Å; K482-L486 VanDerWaalsContact O-N 3.09Å; F483-L486 PolarHBondContact O-N 3.17Å; L486-N488 VanDerWaalsContact C-N 3.3Å; L486-N488 PolarHBondContact O-N 2.92Å; L486-I489 PolarHBondContact O-N 2.73Å; L486-I490 WeakPolarHBondContact O-CG1 3.31Å; L486-I490 PolarHBondContact O-N 2.89Å; L486-I490 VanDerWaalsContact O-N 3.15Å; L486-T576 WeakPolarHBondContact CD2-OG1 3.47Å; L486-L577 HydrophobicContact CD1-CD1 4.36Å; L486-L577 HydrophobicContact CD2-CB 4.07Å; L486-L577 HydrophobicContact CD2-CD1 4.47Å; L486-F580 HydrophobicContact CD1-CB 3.97Å; L486-F580 HydrophobicContact CD1-CD1 4.15Å; L486-F580 HydrophobicContact CD1-CD2 4.25Å; L486-F580 HydrophobicContact CD1-CG 3.87Å
487	I	96.3	Very high	93.5	Very high	85 Å²	85	41 Å²	41	44%	0.436	21%	0.205	S	C	.	.	H	α-helix	trans	-59.1	-42.6	173.9	-73.4	177	0	0	0	110.9	F483 I490 G491	F483-I487 HydrophobicContact CD1-CD1 3.9Å; F483-I487 HydrophobicContact CE1-CD1 3.4Å; F483-I487 VanDerWaalsContact CE1-CD1 3.4Å; F483-I487 HydrophobicContact CE1-CG1 4.39Å; F483-I487 HydrophobicContact CE2-CD1 4.27Å; F483-I487 HydrophobicContact CE2-CG1 4.47Å; F483-I487 HydrophobicContact CZ-CD1 3.62Å; F483-I487 HydrophobicContact CZ-CG1 4.27Å; F483-I487 PolarHBondContact O-N 3.31Å; I487-I490 PolarHBondContact O-N 3.47Å; I487-G491 PolarHBondContact O-N 2.9Å
488	N	96.4	Very high	93.3	Very high	18 Å²	18	48.1 Å²	48.1	10%	0.096	24%	0.236	C	C	.	.	H	α-helix	trans	-58.7	-50.4	177.7	176.4	63.8	0	0	0	111.2	L184 F185 L484 Y485 L486 I490 G491 Q492	L184-N488 WeakPolarHBondContact CB-OD1 3.5Å; F185-N488 WeakPolarHBondContact CD1-ND2 3.45Å; F185-N488 WeakPolarHBondContact CE1-ND2 3.15Å; L484-N488 VanDerWaalsContact O-CB 3.23Å; L484-N488 WeakPolarHBondContact O-CB 3.46Å; L484-N488 PolarHBondContact O-N 3.08Å; Y485-N488 WeakPolarHBondContact O-CB 3.2Å; Y485-N488 PolarHBondContact O-N 3.24Å; L486-N488 VanDerWaalsContact C-N 3.3Å; L486-N488 PolarHBondContact O-N 2.92Å; N488-I490 VanDerWaalsContact C-N 3.33Å; N488-I490 PolarHBondContact O-N 3.35Å; N488-G491 CarbonylContact O-C 3.51Å; N488-G491 WeakPolarHBondContact O-CA 3.17Å; N488-G491 PolarHBondContact O-N 2.88Å; N488-G491 VanDerWaalsContact O-N 3.09Å; N488-Q492 VanDerWaalsContact O-CG 3.31Å; N488-Q492 WeakPolarHBondContact O-CG 3.49Å; N488-Q492 PolarHBondContact O-N 2.9Å; N488-Q492 PolarHBondContact OD1-NE2 2.98Å
489	I	95.6	Very high	93	Very high	6 Å²	6	49.5 Å²	49.5	3%	0.031	24%	0.241	C	C	.	.	H	α-helix	trans	-60.5	-42.6	-178.4	-65.3	161.2	0	0	0	111.5	F185 Y485 L486 G491 Q492 L493 V572 T576	F185-I489 HydrophobicContact CE1-CG1 4.02Å; F185-I489 HydrophobicContact CZ-CG1 4.41Å; Y485-I489 WeakPolarHBondContact O-CG1 3.47Å; Y485-I489 PolarHBondContact O-N 3.35Å; L486-I489 PolarHBondContact O-N 2.73Å; I489-G491 VanDerWaalsContact C-N 3.35Å; I489-Q492 PolarHBondContact O-N 3.19Å; I489-L493 HydrophobicContact CG2-CD1 4.29Å; I489-L493 WeakPolarHBondContact O-CG 3.44Å; I489-L493 PolarHBondContact O-N 3.41Å; I489-V572 HydrophobicContact CD1-CG1 3.89Å; I489-T576 HydrophobicContact CD1-CG2 3.94Å; I489-T576 VanDerWaalsContact CD1-OG1 3.28Å; I489-T576 WeakPolarHBondContact CD1-OG1 3.34Å
490	I	93.9	Very high	92.5	Very high	119 Å²	119	48.6 Å²	48.6	61%	0.61	24%	0.239	S	C	*	.	H	α-helix	trans	-61.9	-44.4	174.9	-64.4	165.6	0	0	0	110.4	L486 I487 N488 Q492 L493 F494	L486-I490 WeakPolarHBondContact O-CG1 3.31Å; L486-I490 PolarHBondContact O-N 2.89Å; L486-I490 VanDerWaalsContact O-N 3.15Å; I487-I490 PolarHBondContact O-N 3.47Å; N488-I490 VanDerWaalsContact C-N 3.33Å; N488-I490 PolarHBondContact O-N 3.35Å; I490-Q492 PolarHBondContact O-N 3Å; I490-L493 PolarHBondContact O-N 2.99Å; I490-F494 PolarHBondContact O-N 3.36Å; I490-F494 VanDerWaalsContact O-N 3.08Å
491	G	93.7	Very high	91.6	Very high	36 Å²	36	46.3 Å²	46.3	37%	0.371	25%	0.245	S	C	.	.	H	α-helix	trans	-62.3	-37.1	175.3	0	0	0	0	0	113.5	I487 N488 I489 M495	I487-G491 PolarHBondContact O-N 2.9Å; N488-G491 CarbonylContact O-C 3.51Å; N488-G491 WeakPolarHBondContact O-CA 3.17Å; N488-G491 PolarHBondContact O-N 2.88Å; N488-G491 VanDerWaalsContact O-N 3.09Å; I489-G491 VanDerWaalsContact C-N 3.35Å; G491-M495 VanDerWaalsContact O-CB 3.26Å; G491-M495 WeakPolarHBondContact O-CB 3.23Å; G491-M495 PolarHBondContact O-N 3.27Å
492	Q	93.9	Very high	90.7	Very high	3 Å²	3	46.7 Å²	46.7	1%	0.014	25%	0.246	C	C	.	.	H	α-helix	trans	-66.8	-45.4	175.1	-63.4	-45.8	-36.1	0	0	111.7	Q181 L184 F185 N488 I489 I490 F494 M495 M496 H569	Q181-Q492 VanDerWaalsContact CB-OE1 3.31Å; L184-Q492 VanDerWaalsContact CB-NE2 3.33Å; F185-Q492 HydrophobicContact CD2-CG 4.42Å; F185-Q492 HydrophobicContact CE2-CG 3.74Å; F185-Q492 HydrophobicContact CZ-CG 4.03Å; N488-Q492 VanDerWaalsContact O-CG 3.31Å; N488-Q492 WeakPolarHBondContact O-CG 3.49Å; N488-Q492 PolarHBondContact O-N 2.9Å; N488-Q492 PolarHBondContact OD1-NE2 2.98Å; I489-Q492 PolarHBondContact O-N 3.19Å; I490-Q492 PolarHBondContact O-N 3Å; Q492-F494 VanDerWaalsContact C-N 3.34Å; Q492-F494 PolarHBondContact O-N 3.45Å; Q492-M495 PolarHBondContact O-N 3.39Å; Q492-M496 VanDerWaalsContact O-CG 3.29Å; Q492-M496 WeakPolarHBondContact O-CG 3.18Å; Q492-M496 PolarHBondContact O-N 3.2Å; Q492-H569 WeakPolarHBondContact CB-NE2 3.25Å
493	L	92.4	Very high	89.6	Confident	39 Å²	39	54.2 Å²	54.2	20%	0.204	29%	0.287	C	S	.	.	H	α-helix	trans	-59.4	-45.1	177.7	-72.2	168.3	0	0	0	111.4	I489 I490 M496 E497 W566 H569	I489-L493 HydrophobicContact CG2-CD1 4.29Å; I489-L493 WeakPolarHBondContact O-CG 3.44Å; I489-L493 PolarHBondContact O-N 3.41Å; I490-L493 PolarHBondContact O-N 2.99Å; L493-M496 PolarHBondContact O-N 2.84Å; L493-E497 PolarHBondContact O-N 3.27Å; L493-W566 HydrophobicContact CD2-CG 4.38Å; L493-H569 HydrophobicContact CD2-CB 3.66Å; L493-H569 HydrophobicContact CG-CB 4.11Å
494	F	90.9	Very high	88.6	Confident	131 Å²	131	50.8 Å²	50.8	58%	0.575	28%	0.276	S	S	*	.	H	α-helix	trans	-66.8	-36.9	175.3	-177.3	-107.7	0	0	0	113.1	I490 Q492 M496 E497 K498	I490-F494 PolarHBondContact O-N 3.36Å; I490-F494 VanDerWaalsContact O-N 3.08Å; Q492-F494 VanDerWaalsContact C-N 3.34Å; Q492-F494 PolarHBondContact O-N 3.45Å; F494-M496 VanDerWaalsContact C-N 3.33Å; F494-E497 PolarHBondContact O-N 3.23Å; F494-K498 WeakPolarHBondContact O-CB 3.27Å; F494-K498 PolarHBondContact O-N 3.31Å
495	M	91	Very high	87.4	Confident	63 Å²	63	53.5 Å²	53.5	31%	0.31	29%	0.294	S	S	.	.	H	α-helix	trans	-64	-38.9	174.1	-171.4	-179.9	-168.3	0	0	111.5	V177 Q181 G491 Q492 F499	V177-M495 HydrophobicContact CG1-CE 3.91Å; Q181-M495 HydrophobicContact CG-SD 3.83Å; G491-M495 VanDerWaalsContact O-CB 3.26Å; G491-M495 WeakPolarHBondContact O-CB 3.23Å; G491-M495 PolarHBondContact O-N 3.27Å; Q492-M495 PolarHBondContact O-N 3.39Å; M495-F499 WeakPolarHBondContact O-CB 3.33Å; M495-F499 PolarHBondContact O-N 3.29Å
496	M	89	Confident	86.7	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-69	-44.7	175.4	-67.1	175.7	82.4	0	0	111.8	Q492 L493 F494 K498 F499 V500 Y507 Y562 L565 H569	Q492-M496 VanDerWaalsContact O-CG 3.29Å; Q492-M496 WeakPolarHBondContact O-CG 3.18Å; Q492-M496 PolarHBondContact O-N 3.2Å; L493-M496 PolarHBondContact O-N 2.84Å; F494-M496 VanDerWaalsContact C-N 3.33Å; M496-K498 PolarHBondContact O-N 2.97Å; M496-F499 PolarHBondContact O-N 3.09Å; M496-V500 WeakPolarHBondContact O-CG2 3.45Å; M496-V500 PolarHBondContact O-N 2.86Å; M496-Y507 HydrophobicContact CB-CE1 3.94Å; M496-Y507 WeakPolarHBondContact CE-OH 3.38Å; M496-Y562 HydrophobicContact CB-CD1 4.49Å; M496-Y562 HydrophobicContact CE-CD1 3.65Å; M496-Y562 HydrophobicContact CE-CE1 4.24Å; M496-Y562 HydrophobicContact CE-CG 4.21Å; M496-Y562 HydrophobicContact CG-CD1 4.37Å; M496-Y562 HydrophobicContact CG-CE1 4.31Å; M496-L565 HydrophobicContact CE-CB 3.55Å; M496-L565 HydrophobicContact CE-CD1 4.5Å; M496-H569 PolarHBondContact SD-CE1 2.74Å
497	E	87.9	Confident	85.9	Confident	32 Å²	32	58.7 Å²	58.7	15%	0.15	32%	0.316	C	S	.	.	H	α-helix	trans	-53.4	-52.2	174.3	179.3	-178.9	-172.4	0	0	111.3	L493 F494 F499 V500 G501 S504 T505 Y507	L493-E497 PolarHBondContact O-N 3.27Å; F494-E497 PolarHBondContact O-N 3.23Å; E497-F499 VanDerWaalsContact C-N 3.33Å; E497-F499 PolarHBondContact O-N 3.17Å; E497-V500 PolarHBondContact O-N 2.77Å; E497-G501 PolarHBondContact O-N 2.82Å; E497-S504 VanDerWaalsContact OE1-C 3.22Å; E497-T505 WeakPolarHBondContact OE1-CA 3.48Å; E497-T505 PolarHBondContact OE1-N 2.69Å; E497-Y507 HydrophobicContact CB-CD1 4.07Å; E497-Y507 HydrophobicContact CB-CE1 4.45Å
498	K	87.1	Confident	85.3	Confident	165 Å²	165	54.7 Å²	54.7	72%	0.717	30%	0.295	S	S	*	.	H	α-helix	trans	-66.4	-30.8	178.5	-175.1	168.6	-178	173.5	0	113.5	F494 M496	F494-K498 WeakPolarHBondContact O-CB 3.27Å; F494-K498 PolarHBondContact O-N 3.31Å; M496-K498 PolarHBondContact O-N 2.97Å
499	F	86.7	Confident	84.7	Confident	31 Å²	31	59.4 Å²	59.4	14%	0.136	32%	0.315	C	S	.	.	H	α-helix	trans	-75.3	-32.7	177.5	-177.7	-92.3	0	0	0	112.8	Y170 A174 V177 M495 M496 E497 Y562	Y170-F499 HydrophobicContact CD2-CE1 4.15Å; Y170-F499 HydrophobicContact CD2-CZ 4.26Å; Y170-F499 HydrophobicContact CG-CE1 4.44Å; Y170-F499 HydrophobicContact CG-CZ 4.39Å; Y170-F499 VanDerWaalsContact O-CZ 3.26Å; Y170-F499 WeakPolarHBondContact O-CZ 3.46Å; A174-F499 HydrophobicContact CB-CE1 4.34Å; A174-F499 HydrophobicContact CB-CZ 3.81Å; V177-F499 HydrophobicContact CB-CD2 4.47Å; V177-F499 HydrophobicContact CB-CE2 4.19Å; V177-F499 HydrophobicContact CG1-CD2 4.18Å; V177-F499 HydrophobicContact CG1-CE2 4.33Å; V177-F499 HydrophobicContact CG2-CD2 4.01Å; V177-F499 HydrophobicContact CG2-CE2 3.79Å; M495-F499 WeakPolarHBondContact O-CB 3.33Å; M495-F499 PolarHBondContact O-N 3.29Å; M496-F499 PolarHBondContact O-N 3.09Å; E497-F499 VanDerWaalsContact C-N 3.33Å; E497-F499 PolarHBondContact O-N 3.17Å; F499-Y562 HydrophobicContact CD1-CD1 4.31Å; F499-Y562 AromaticContact CD1-CE1 3.46Å; F499-Y562 HydrophobicContact CD1-CE1 3.46Å; F499-Y562 VanDerWaalsContact CD1-CE1 3.46Å; F499-Y562 AromaticContact CD1-CZ 3.62Å; F499-Y562 AromaticContact CE1-CE1 3.85Å; F499-Y562 HydrophobicContact CE1-CE1 3.85Å; F499-Y562 HydrophobicContact CE1-CE2 4.14Å; F499-Y562 AromaticContact CE1-CZ 3.48Å; F499-Y562 VanDerWaalsContact CE1-CZ 3.48Å; F499-Y562 WeakPolarHBondContact CE1-OH 3.34Å; F499-Y562 HydrophobicContact CG-CE1 4.33Å
500	V	82.5	Confident	84.2	Confident	13 Å²	13	65.1 Å²	65.1	8%	0.079	34%	0.336	C	S	.	.	H	α-helix	trans	-77.9	-25.1	175.1	175.6	0	0	0	0	111.8	M496 E497 N502 Y507 F527 Y562	M496-V500 WeakPolarHBondContact O-CG2 3.45Å; M496-V500 PolarHBondContact O-N 2.86Å; E497-V500 PolarHBondContact O-N 2.77Å; V500-N502 HydrophobicContact CG1-CB 4.3Å; V500-Y507 HydrophobicContact CG1-CD2 4.36Å; V500-Y507 HydrophobicContact CG2-CE2 4.11Å; V500-F527 HydrophobicContact CB-CZ 4.38Å; V500-F527 HydrophobicContact CG1-CE2 3.89Å; V500-F527 HydrophobicContact CG1-CZ 3.88Å; V500-F527 HydrophobicContact CG2-CE1 4.34Å; V500-F527 HydrophobicContact CG2-CE2 4.37Å; V500-F527 HydrophobicContact CG2-CZ 3.63Å; V500-Y562 HydrophobicContact CG2-CD1 4.09Å
501	G	76.5	Confident	83.6	Confident	56 Å²	56	60.1 Å²	60.1	58%	0.577	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	26.8	175.4	0	0	0	0	0	114.1	E497	E497-G501 PolarHBondContact O-N 2.82Å
502	N	73.6	Confident	83.2	Confident	12 Å²	12	61 Å²	61	6%	0.064	31%	0.307	C	S	.	.			trans	-109.7	123	-177.7	169.9	101.3	0	0	0	110.8	V500 S504 Y507 N526	V500-N502 HydrophobicContact CG1-CB 4.3Å; N502-S504 VanDerWaalsContact ND2-CB 3.34Å; N502-S504 WeakPolarHBondContact ND2-CB 3.3Å; N502-S504 PolarHBondContact ND2-N 3.33Å; N502-S504 VanDerWaalsContact ND2-N 3.2Å; N502-S504 PolarHBondContact ND2-O 2.96Å; N502-S504 PolarHBondContact O-N 2.97Å; N502-Y507 WeakPolarHBondContact ND2-CB 3.27Å; N502-N526 PolarHBondContact OD1-ND2 2.94Å
503	D	72.2	Confident	82.8	Confident	163 Å²	163	67.6 Å²	67.6	87%	0.872	33%	0.333	S	S	*	.	S	Bend	trans	-69.6	42.9	-177	-48.9	-59.9	0	0	0	115
504	S	73.1	Confident	82.3	Confident	33 Å²	33	66.5 Å²	66.5	23%	0.231	33%	0.327	C	S	.	.			trans	-151.2	118.1	-179.5	-42.9	0	0	0	0	110.7	E497 N502 F506 Y507 R510	E497-S504 VanDerWaalsContact OE1-C 3.22Å; N502-S504 VanDerWaalsContact ND2-CB 3.34Å; N502-S504 WeakPolarHBondContact ND2-CB 3.3Å; N502-S504 PolarHBondContact ND2-N 3.33Å; N502-S504 VanDerWaalsContact ND2-N 3.2Å; N502-S504 PolarHBondContact ND2-O 2.96Å; N502-S504 PolarHBondContact O-N 2.97Å; S504-F506 PolarHBondContact O-N 3.31Å; S504-Y507 WeakPolarHBondContact O-CA 3.43Å; S504-Y507 WeakPolarHBondContact O-CB 3.33Å; S504-Y507 PolarHBondContact O-N 3.03Å; S504-R510 PolarHBondContact OG-NH1 3.22Å
505	T	71.6	Confident	82	Confident	91 Å²	91	63.5 Å²	63.5	56%	0.558	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-31.8	179.7	54.2	0	0	0	0	113.7	E497 Y507	E497-T505 WeakPolarHBondContact OE1-CA 3.48Å; E497-T505 PolarHBondContact OE1-N 2.69Å; T505-Y507 VanDerWaalsContact C-N 3.3Å; T505-Y507 PolarHBondContact O-N 3.03Å
506	F	80.7	Confident	81.8	Confident	137 Å²	137	67 Å²	67	60%	0.601	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	36.4	174.4	-59.6	-72.9	0	0	0	113.3	S504 G508 F509 R510 W566	S504-F506 PolarHBondContact O-N 3.31Å; F506-G508 PolarHBondContact O-N 3.45Å; F506-G508 VanDerWaalsContact O-N 3.16Å; F506-F509 HydrophobicContact CB-CD2 4.46Å; F506-F509 HydrophobicContact CD1-CD2 4.27Å; F506-F509 PolarHBondContact O-N 3.44Å; F506-F509 VanDerWaalsContact O-N 3.11Å; F506-R510 PolarHBondContact O-N 3.3Å; F506-R510 VanDerWaalsContact O-N 3.08Å; F506-W566 HydrophobicContact CD1-CH2 4.45Å; F506-W566 HydrophobicContact CD1-CZ2 4.28Å
507	Y	79.8	Confident	81.8	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-54	-38.6	-175.8	87.3	-98.2	0	0	0	112.4	M496 E497 V500 N502 S504 T505 F509 R510 V511 Y562 W566	M496-Y507 HydrophobicContact CB-CE1 3.94Å; M496-Y507 WeakPolarHBondContact CE-OH 3.38Å; E497-Y507 HydrophobicContact CB-CD1 4.07Å; E497-Y507 HydrophobicContact CB-CE1 4.45Å; V500-Y507 HydrophobicContact CG1-CD2 4.36Å; V500-Y507 HydrophobicContact CG2-CE2 4.11Å; N502-Y507 WeakPolarHBondContact ND2-CB 3.27Å; S504-Y507 WeakPolarHBondContact O-CA 3.43Å; S504-Y507 WeakPolarHBondContact O-CB 3.33Å; S504-Y507 PolarHBondContact O-N 3.03Å; T505-Y507 VanDerWaalsContact C-N 3.3Å; T505-Y507 PolarHBondContact O-N 3.03Å; Y507-F509 PolarHBondContact O-N 3.17Å; Y507-R510 PolarHBondContact O-N 3.38Å; Y507-R510 VanDerWaalsContact O-N 3.16Å; Y507-V511 HydrophobicContact CD2-CG2 4.36Å; Y507-V511 WeakPolarHBondContact O-CB 3.43Å; Y507-V511 WeakPolarHBondContact O-CG2 3.34Å; Y507-V511 PolarHBondContact O-N 3.29Å; Y507-Y562 PolarHBondContact OH-O 3.32Å; Y507-W566 AromaticContact CD1-CD1 3.94Å; Y507-W566 AromaticContact CD1-NE1 4Å; Y507-W566 AromaticContact CE1-CD1 3.28Å; Y507-W566 HydrophobicContact CE1-CG 4.26Å; Y507-W566 AromaticContact CE1-NE1 3.78Å; Y507-W566 AromaticContact CZ-CD1 3.45Å; Y507-W566 VanDerWaalsContact CZ-CD1 3.45Å
508	G	82.5	Confident	81.6	Confident	0 Å²	0	75 Å²	75	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-63.2	-39.1	-179.5	0	0	0	0	0	113.5	F506 L512	F506-G508 PolarHBondContact O-N 3.45Å; F506-G508 VanDerWaalsContact O-N 3.16Å; G508-L512 VanDerWaalsContact O-CB 3.23Å; G508-L512 WeakPolarHBondContact O-CB 3.49Å; G508-L512 PolarHBondContact O-N 2.8Å
509	F	84.1	Confident	81.3	Confident	118 Å²	118	72.9 Å²	72.9	52%	0.518	38%	0.375	S	S	.	.	H	α-helix	trans	-68.7	-41.7	171.1	-80.1	-53.6	0	0	0	112.1	F506 Y507 L512 Y513 W566 F567	F506-F509 HydrophobicContact CB-CD2 4.46Å; F506-F509 HydrophobicContact CD1-CD2 4.27Å; F506-F509 PolarHBondContact O-N 3.44Å; F506-F509 VanDerWaalsContact O-N 3.11Å; Y507-F509 PolarHBondContact O-N 3.17Å; F509-L512 PolarHBondContact O-N 3.38Å; F509-Y513 WeakPolarHBondContact O-CB 3.43Å; F509-Y513 PolarHBondContact O-N 2.81Å; F509-W566 HydrophobicContact CD1-CZ3 4.36Å; F509-W566 AromaticContact CD2-CH2 3.37Å; F509-W566 HydrophobicContact CD2-CH2 3.37Å; F509-W566 HydrophobicContact CD2-CZ2 4.39Å; F509-W566 AromaticContact CD2-CZ3 3.8Å; F509-W566 HydrophobicContact CD2-CZ3 3.8Å; F509-W566 HydrophobicContact CE1-CZ3 4.42Å; F509-W566 AromaticContact CE2-CH2 3.53Å; F509-W566 HydrophobicContact CE2-CH2 3.53Å; F509-W566 AromaticContact CE2-CZ3 3.87Å; F509-W566 HydrophobicContact CE2-CZ3 3.87Å; F509-W566 HydrophobicContact CG-CH2 4.01Å; F509-W566 HydrophobicContact CG-CZ3 4.05Å; F509-W566 HydrophobicContact CZ-CH2 4.29Å; F509-W566 HydrophobicContact CZ-CZ3 4.18Å; F509-F567 AromaticContact CD1-CE1 3.93Å; F509-F567 HydrophobicContact CD1-CE1 3.93Å; F509-F567 HydrophobicContact CD1-CZ 4.07Å; F509-F567 AromaticContact CE1-CE1 3.69Å; F509-F567 HydrophobicContact CE1-CE1 3.69Å; F509-F567 HydrophobicContact CE1-CZ 4.29Å; F509-F567 HydrophobicContact CZ-CE1 4.35Å
510	R	84.5	Confident	81	Confident	125 Å²	125	76.2 Å²	76.2	47%	0.472	39%	0.391	S	S	.	.	H	α-helix	trans	-61.9	-51	179.5	-176.8	175.9	176.1	172.6	-5.5	111.6	S504 F506 Y507 Y513 D514	S504-R510 PolarHBondContact OG-NH1 3.22Å; F506-R510 PolarHBondContact O-N 3.3Å; F506-R510 VanDerWaalsContact O-N 3.08Å; Y507-R510 PolarHBondContact O-N 3.38Å; Y507-R510 VanDerWaalsContact O-N 3.16Å; R510-Y513 PolarHBondContact O-N 2.93Å; R510-D514 PolarHBondContact O-N 3.39Å
511	V	82	Confident	80.9	Confident	15 Å²	15	77.4 Å²	77.4	9%	0.091	39%	0.394	C	S	.	.	H	α-helix	trans	-65.1	-39	178.5	176.2	0	0	0	0	111.2	Y507 L515 I563	Y507-V511 HydrophobicContact CD2-CG2 4.36Å; Y507-V511 WeakPolarHBondContact O-CB 3.43Å; Y507-V511 WeakPolarHBondContact O-CG2 3.34Å; Y507-V511 PolarHBondContact O-N 3.29Å; V511-L515 WeakPolarHBondContact O-CB 3.39Å; V511-L515 PolarHBondContact O-N 3.16Å; V511-I563 HydrophobicContact CG1-CD1 3.63Å; V511-I563 HydrophobicContact CG1-CG1 3.89Å
512	L	84.5	Confident	80.8	Confident	53 Å²	53	77.7 Å²	77.7	28%	0.277	38%	0.38	S	S	.	.	H	α-helix	trans	-64.6	-41.5	173.3	-178.8	63.5	0	0	0	111.9	G508 F509 L515 L516 F567	G508-L512 VanDerWaalsContact O-CB 3.23Å; G508-L512 WeakPolarHBondContact O-CB 3.49Å; G508-L512 PolarHBondContact O-N 2.8Å; F509-L512 PolarHBondContact O-N 3.38Å; L512-L515 PolarHBondContact O-N 2.98Å; L512-L516 HydrophobicContact CD1-CD1 4.19Å; L512-L516 HydrophobicContact CD1-CG 4.14Å; L512-L516 HydrophobicContact CD2-CD1 4.45Å; L512-L516 HydrophobicContact CG-CD1 3.91Å; L512-L516 HydrophobicContact CG-CG 4.3Å; L512-L516 WeakPolarHBondContact O-CB 3.37Å; L512-L516 VanDerWaalsContact O-CG 3.27Å; L512-L516 WeakPolarHBondContact O-CG 3.23Å; L512-L516 PolarHBondContact O-N 2.85Å; L512-F567 HydrophobicContact CB-CE2 4.27Å; L512-F567 HydrophobicContact CB-CZ 4.22Å; L512-F567 HydrophobicContact CD2-CE1 4.41Å; L512-F567 HydrophobicContact CD2-CE2 3.74Å; L512-F567 HydrophobicContact CD2-CZ 3.45Å; L512-F567 VanDerWaalsContact CD2-CZ 3.45Å; L512-F567 HydrophobicContact CG-CZ 4.45Å
513	Y	86.1	Confident	80.9	Confident	142 Å²	142	83.6 Å²	83.6	56%	0.557	41%	0.406	S	S	*	.	H	α-helix	trans	-65.1	-46	178	177.2	-92.2	0	0	0	112.1	F509 R510 L515 L516 K517	F509-Y513 WeakPolarHBondContact O-CB 3.43Å; F509-Y513 PolarHBondContact O-N 2.81Å; R510-Y513 PolarHBondContact O-N 2.93Å; Y513-L515 VanDerWaalsContact C-N 3.32Å; Y513-L515 PolarHBondContact O-N 2.53Å; Y513-L516 PolarHBondContact O-N 3.1Å; Y513-K517 HydrophobicContact CE1-CD 4.02Å; Y513-K517 WeakPolarHBondContact O-CB 3.49Å; Y513-K517 PolarHBondContact O-N 3.3Å
514	D	82.9	Confident	81.1	Confident	16 Å²	16	77.9 Å²	77.9	9%	0.086	38%	0.379	C	S	.	.	H	α-helix	trans	-60.3	-42.8	175.3	-79.7	-43.4	0	0	0	111.1	R510 K517 G518 R519	R510-D514 PolarHBondContact O-N 3.39Å; D514-K517 PolarHBondContact O-N 3Å; D514-G518 PolarHBondContact O-N 2.81Å; D514-R519 HydrophobicContact CB-CB 4.2Å; D514-R519 WeakPolarHBondContact O-CB 3.45Å; D514-R519 PolarHBondContact O-N 3.43Å; D514-R519 WeakPolarHBondContact OD1-CD 3.29Å; D514-R519 IonicContact OD1-CZ 3.91Å; D514-R519 IonicContact OD1-NE 3.38Å; D514-R519 IonicContact OD1-NH1 2.63Å; D514-R519 PolarHBondContact OD1-NH1 3.45Å
515	L	82.9	Confident	81.2	Confident	68 Å²	68	77.8 Å²	77.8	36%	0.356	38%	0.383	S	S	.	.	H	α-helix	trans	-63.8	-44.2	175.7	-178.9	68.4	0	0	0	112.7	V511 L512 Y513 K517 G518 K560 I563	V511-L515 WeakPolarHBondContact O-CB 3.39Å; V511-L515 PolarHBondContact O-N 3.16Å; L512-L515 PolarHBondContact O-N 2.98Å; Y513-L515 VanDerWaalsContact C-N 3.32Å; Y513-L515 PolarHBondContact O-N 2.53Å; L515-K517 PolarHBondContact O-N 3.08Å; L515-G518 PolarHBondContact O-N 2.83Å; L515-K560 VanDerWaalsContact CD2-NZ 3.35Å; L515-I563 HydrophobicContact CD2-CD1 4.43Å
516	L	86.9	Confident	81.5	Confident	138 Å²	138	74.6 Å²	74.6	72%	0.723	36%	0.363	S	S	*	.	H	α-helix	trans	-65.8	-27.4	176.3	-75.4	172	0	0	0	112.6	L512 Y513 G518	L512-L516 HydrophobicContact CD1-CD1 4.19Å; L512-L516 HydrophobicContact CD1-CG 4.14Å; L512-L516 HydrophobicContact CD2-CD1 4.45Å; L512-L516 HydrophobicContact CG-CD1 3.91Å; L512-L516 HydrophobicContact CG-CG 4.3Å; L512-L516 WeakPolarHBondContact O-CB 3.37Å; L512-L516 VanDerWaalsContact O-CG 3.27Å; L512-L516 WeakPolarHBondContact O-CG 3.23Å; L512-L516 PolarHBondContact O-N 2.85Å; Y513-L516 PolarHBondContact O-N 3.1Å; L516-G518 VanDerWaalsContact C-N 3.27Å
517	K	89	Confident	81.6	Confident	138 Å²	138	68.4 Å²	68.4	60%	0.6	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-3.7	173.7	-166.5	165.6	-176.6	172.4	0	113.2	Y513 D514 L515 R519	Y513-K517 HydrophobicContact CE1-CD 4.02Å; Y513-K517 WeakPolarHBondContact O-CB 3.49Å; Y513-K517 PolarHBondContact O-N 3.3Å; D514-K517 PolarHBondContact O-N 3Å; L515-K517 PolarHBondContact O-N 3.08Å; K517-R519 VanDerWaalsContact C-N 3.28Å; K517-R519 PolarHBondContact O-N 3.33Å
518	G	83.8	Confident	82	Confident	60 Å²	60	68.4 Å²	68.4	62%	0.619	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	19.2	-175.5	0	0	0	0	0	113.9	D514 L515 L516 E520	D514-G518 PolarHBondContact O-N 2.81Å; L515-G518 PolarHBondContact O-N 2.83Å; L516-G518 VanDerWaalsContact C-N 3.27Å; G518-E520 PolarHBondContact O-N 2.85Å
519	R	81.6	Confident	82.3	Confident	122 Å²	122	71.8 Å²	71.8	46%	0.46	35%	0.349	S	S	.	.			trans	-74.6	113.3	171.2	175.3	178.8	-82.7	150.4	-15.5	108.9	D514 K517 H523	D514-R519 HydrophobicContact CB-CB 4.2Å; D514-R519 WeakPolarHBondContact O-CB 3.45Å; D514-R519 PolarHBondContact O-N 3.43Å; D514-R519 WeakPolarHBondContact OD1-CD 3.29Å; D514-R519 IonicContact OD1-CZ 3.91Å; D514-R519 IonicContact OD1-NE 3.38Å; D514-R519 IonicContact OD1-NH1 2.63Å; D514-R519 PolarHBondContact OD1-NH1 3.45Å; K517-R519 VanDerWaalsContact C-N 3.28Å; K517-R519 PolarHBondContact O-N 3.33Å; R519-H523 HydrophobicContact CG-CB 3.77Å
520	E	80.7	Confident	82.7	Confident	101 Å²	101	67.3 Å²	67.3	47%	0.472	33%	0.331	S	S	.	.			trans	-73.2	159.4	176.5	-72.3	-166.6	-127.6	0	0	114	G518 F522 H523	G518-E520 PolarHBondContact O-N 2.85Å; E520-F522 HydrophobicContact CB-CD1 3.49Å; E520-F522 VanDerWaalsContact CB-CD1 3.49Å; E520-F522 HydrophobicContact CB-CE1 3.47Å; E520-F522 VanDerWaalsContact CB-CE1 3.47Å; E520-F522 HydrophobicContact CB-CG 4.43Å; E520-F522 HydrophobicContact CB-CZ 4.38Å; E520-F522 HydrophobicContact CG-CD1 4.41Å; E520-F522 HydrophobicContact CG-CE1 4.06Å; E520-F522 PolarHBondContact O-N 3.41Å; E520-F522 VanDerWaalsContact O-N 3.12Å; E520-H523 PolarHBondContact O-N 2.75Å
521	W	79.2	Confident	83.1	Confident	38 Å²	38	61.3 Å²	61.3	14%	0.144	31%	0.308	C	S	.	.	H	α-helix	trans	-47.9	-34.5	176.5	57.4	-80.3	0	0	0	113.9	F150 H523 S524 G525 P528 R529 V530	F150-W521 HydrophobicContact CD2-CZ3 4.39Å; F150-W521 HydrophobicContact CE2-CE3 4.19Å; F150-W521 AromaticContact CE2-CZ3 3.85Å; F150-W521 HydrophobicContact CE2-CZ3 3.85Å; W521-H523 PolarHBondContact O-N 2.88Å; W521-S524 PolarHBondContact O-N 3.41Å; W521-S524 PolarHBondContact O-OG 2.88Å; W521-G525 PolarHBondContact O-N 3.48Å; W521-P528 HydrophobicContact CE3-CB 3.78Å; W521-P528 HydrophobicContact CZ3-CB 4.13Å; W521-R529 HydrophobicContact CD2-CB 4.49Å; W521-R529 HydrophobicContact CG-CG 4.5Å; W521-V530 HydrophobicContact CH2-CB 3.72Å; W521-V530 HydrophobicContact CH2-CG2 3.72Å; W521-V530 HydrophobicContact CZ2-CG2 4.16Å; W521-V530 HydrophobicContact CZ3-CB 4.24Å
522	F	75.3	Confident	83.6	Confident	62 Å²	62	61.5 Å²	61.5	27%	0.272	31%	0.308	S	S	.	.	H	α-helix	trans	-65.7	-19.7	-179.6	70.9	-104.4	0	0	0	113.7	E520	E520-F522 HydrophobicContact CB-CD1 3.49Å; E520-F522 VanDerWaalsContact CB-CD1 3.49Å; E520-F522 HydrophobicContact CB-CE1 3.47Å; E520-F522 VanDerWaalsContact CB-CE1 3.47Å; E520-F522 HydrophobicContact CB-CG 4.43Å; E520-F522 HydrophobicContact CB-CZ 4.38Å; E520-F522 HydrophobicContact CG-CD1 4.41Å; E520-F522 HydrophobicContact CG-CE1 4.06Å; E520-F522 PolarHBondContact O-N 3.41Å; E520-F522 VanDerWaalsContact O-N 3.12Å
523	H	74.9	Confident	84	Confident	135 Å²	135	59.1 Å²	59.1	63%	0.625	30%	0.296	S	S	*	.	H	α-helix	trans	-95.9	-22.5	174.4	-83.7	-42.6	0	0	0	114.1	R519 E520 W521	R519-H523 HydrophobicContact CG-CB 3.77Å; E520-H523 PolarHBondContact O-N 2.75Å; W521-H523 PolarHBondContact O-N 2.88Å
524	S	76.6	Confident	84.3	Confident	43 Å²	43	55.2 Å²	55.2	30%	0.301	29%	0.285	S	S	.	.	H	α-helix	trans	-98.9	-20.6	-176.9	62.6	0	0	0	0	113.5	W521 N526	W521-S524 PolarHBondContact O-N 3.41Å; W521-S524 PolarHBondContact O-OG 2.88Å; S524-N526 PolarHBondContact O-N 3.25Å; S524-N526 PolarHBondContact OG-N 3.29Å
525	G	76.1	Confident	84.7	Confident	31 Å²	31	54.6 Å²	54.6	32%	0.32	28%	0.281	S	S	.	.			trans	70.6	-14.1	-171.3	0	0	0	0	0	114.2	W521 P528	W521-G525 PolarHBondContact O-N 3.48Å; G525-P528 WeakPolarHBondContact O-CD 3.48Å
526	N	76.8	Confident	85	Confident	25 Å²	25	55.3 Å²	55.3	13%	0.134	28%	0.283	C	S	.	.	S	Bend	trans	-79.1	131.1	-179.7	-69.1	-27.9	0	0	0	110.6	N502 S524	N502-N526 PolarHBondContact OD1-ND2 2.94Å; S524-N526 PolarHBondContact O-N 3.25Å; S524-N526 PolarHBondContact OG-N 3.29Å
527	F	82.9	Confident	85	Confident	6 Å²	6	49 Å²	49	3%	0.026	25%	0.25	C	S	.	.	S	Bend	trans	49.9	56.7	-179.5	-55.3	-72.8	0	0	0	115.1	Y170 V500 N555 L558 E559	Y170-F527 HydrophobicContact CE2-CD1 4.37Å; V500-F527 HydrophobicContact CB-CZ 4.38Å; V500-F527 HydrophobicContact CG1-CE2 3.89Å; V500-F527 HydrophobicContact CG1-CZ 3.88Å; V500-F527 HydrophobicContact CG2-CE1 4.34Å; V500-F527 HydrophobicContact CG2-CE2 4.37Å; V500-F527 HydrophobicContact CG2-CZ 3.63Å; F527-N555 VanDerWaalsContact C-ND2 3.33Å; F527-N555 WeakPolarHBondContact CA-ND2 3.24Å; F527-N555 WeakPolarHBondContact CD1-OD1 3.45Å; F527-L558 HydrophobicContact CD1-CB 4.48Å; F527-L558 HydrophobicContact CE1-CB 4.37Å; F527-E559 HydrophobicContact CB-CB 4.02Å; F527-E559 HydrophobicContact CB-CG 4.16Å; F527-E559 HydrophobicContact CD1-CB 4.43Å; F527-E559 HydrophobicContact CD2-CB 4.09Å; F527-E559 HydrophobicContact CD2-CG 3.9Å; F527-E559 HydrophobicContact CG-CB 3.94Å; F527-E559 HydrophobicContact CG-CG 4.16Å
528	P	88.6	Confident	84.9	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.006	26%	0.257	C	S	.	.			trans	-67.1	137.1	-178.4	28.9	-32.9	0	0	0	111.4	F150 I168 W521 G525 T531 N555	F150-P528 HydrophobicContact CB-CB 4.23Å; F150-P528 HydrophobicContact CB-CG 3.96Å; F150-P528 HydrophobicContact CD2-CB 3.57Å; F150-P528 HydrophobicContact CD2-CG 4.25Å; F150-P528 HydrophobicContact CE2-CB 4.12Å; F150-P528 HydrophobicContact CG-CB 3.91Å; F150-P528 HydrophobicContact CG-CG 4.1Å; I168-P528 HydrophobicContact CD1-CG 3.4Å; I168-P528 VanDerWaalsContact CD1-CG 3.4Å; W521-P528 HydrophobicContact CE3-CB 3.78Å; W521-P528 HydrophobicContact CZ3-CB 4.13Å; G525-P528 WeakPolarHBondContact O-CD 3.48Å; P528-T531 HydrophobicContact CG-CG2 4.36Å; P528-N555 PolarHBondContact O-ND2 3.34Å
529	R	90	Very high	84.9	Confident	70 Å²	70	51.6 Å²	51.6	26%	0.264	24%	0.244	S	C	.	.	S	Bend	trans	-98.3	-14.3	-176	-57.5	-175.8	-168.9	153	5.2	113.3	W521 V551 L552 E559	W521-R529 HydrophobicContact CD2-CB 4.49Å; W521-R529 HydrophobicContact CG-CG 4.5Å; R529-V551 WeakPolarHBondContact O-CA 3.37Å; R529-L552 PolarHBondContact O-N 3.46Å; R529-E559 IonicContact CZ-OE2 2.63Å; R529-E559 IonicContact NE-OE2 2.77Å; R529-E559 PolarHBondContact NE-OE2 2.95Å; R529-E559 IonicContact NH2-OE1 2.9Å; R529-E559 IonicContact NH2-OE2 3.71Å; R529-E559 PolarHBondContact NH2-OE2 2.92Å
530	V	91.5	Very high	84.9	Confident	24 Å²	24	54.8 Å²	54.8	15%	0.145	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	136.7	169	-173.4	0	0	0	0	107.8	W521 Q549 C550	W521-V530 HydrophobicContact CH2-CB 3.72Å; W521-V530 HydrophobicContact CH2-CG2 3.72Å; W521-V530 HydrophobicContact CZ2-CG2 4.16Å; W521-V530 HydrophobicContact CZ3-CB 4.24Å; V530-Q549 HydrophobicContact CG1-CG 3.54Å; V530-C550 WeakPolarHBondContact CA-O 3.45Å
531	T	92.3	Very high	85	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	166.3	-177.3	55.4	0	0	0	0	109.3	T148 Y149 I168 P528 C550	T148-T531 WeakPolarHBondContact CB-OG1 3.45Å; T148-T531 WeakPolarHBondContact OG1-CB 3.2Å; T148-T531 PolarHBondContact OG1-OG1 3.26Å; Y149-T531 CarbonylContact O-C 3.53Å; Y149-T531 WeakPolarHBondContact O-CA 3.41Å; Y149-T531 WeakPolarHBondContact O-CB 3.25Å; I168-T531 HydrophobicContact CD1-CG2 4.38Å; P528-T531 HydrophobicContact CG-CG2 4.36Å; T531-C550 PolarHBondContact N-O 2.74Å; T531-C550 PolarHBondContact O-N 3.46Å; T531-C550 PolarHBondContact OG1-O 2.88Å
532	F	93.1	Very high	85.5	Confident	18 Å²	18	59.4 Å²	59.4	8%	0.079	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	149.4	179.6	-64.4	-82.6	0	0	0	111.1	T148 Y149 A151 L157 L548 Q549	T148-F532 CarbonylContact C-O 3.5Å; T148-F532 VanDerWaalsContact CA-O 3.29Å; T148-F532 WeakPolarHBondContact CA-O 3.45Å; T148-F532 WeakPolarHBondContact CB-O 3.26Å; Y149-F532 HydrophobicContact CD1-CB 4.28Å; Y149-F532 WeakPolarHBondContact CD1-O 3.37Å; Y149-F532 HydrophobicContact CD2-CB 4.22Å; Y149-F532 HydrophobicContact CE1-CB 3.78Å; Y149-F532 HydrophobicContact CE2-CB 3.7Å; Y149-F532 HydrophobicContact CE2-CD2 4.3Å; Y149-F532 HydrophobicContact CE2-CG 4.32Å; Y149-F532 HydrophobicContact CG-CB 4.48Å; Y149-F532 VanDerWaalsContact CZ-CB 3.45Å; Y149-F532 PolarHBondContact N-O 3.12Å; Y149-F532 PolarHBondContact O-N 2.94Å; A151-F532 HydrophobicContact CB-CD2 4.03Å; A151-F532 HydrophobicContact CB-CE2 4.05Å; L157-F532 HydrophobicContact CD2-CD1 4.14Å; L157-F532 HydrophobicContact CD2-CD2 3.88Å; L157-F532 HydrophobicContact CD2-CE1 4.2Å; L157-F532 HydrophobicContact CD2-CE2 3.95Å; L157-F532 HydrophobicContact CD2-CG 3.98Å; L157-F532 HydrophobicContact CD2-CZ 4.11Å; F532-L548 CarbonylContact C-O 3.52Å; F532-L548 WeakPolarHBondContact CA-O 2.99Å; F532-Q549 HydrophobicContact CD1-CB 4.13Å; F532-Q549 HydrophobicContact CD1-CG 4.42Å; F532-Q549 HydrophobicContact CE1-CB 3.89Å; F532-Q549 HydrophobicContact CE1-CG 3.92Å; F532-Q549 HydrophobicContact CZ-CG 4.42Å
533	C	93.6	Very high	86.1	Confident	4 Å²	4	60.4 Å²	60.4	3%	0.027	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	130.8	-178.6	175	0	0	0	0	110	C143 T148 T547 L548	C143-C533 VanDerWaalsContact CA-SG 3.52Å; C143-C533 HydrophobicContact CB-CB 3.7Å; C143-C533 WeakPolarHBondContact CB-SG 3.39Å; C143-C533 WeakPolarHBondContact SG-CB 3.46Å; C143-C533 CovalentContact SG-SG 2.03Å; C143-C533 PolarHBondContact SG-SG 3.08Å; T148-C533 HydrophobicContact CG2-CB 4.22Å; C533-T547 CarbonylContact O-C 3.59Å; C533-L548 HydrophobicContact CB-CB 4.4Å; C533-L548 PolarHBondContact N-O 3.26Å; C533-L548 PolarHBondContact O-N 2.84Å
534	D	92	Very high	86.7	Confident	60 Å²	60	57.8 Å²	57.8	32%	0.321	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	110.3	174.9	-73.6	-22.9	0	0	0	110.1	R163 T547	R163-D534 VanDerWaalsContact CD-OD2 3.27Å; R163-D534 WeakPolarHBondContact CD-OD2 3.18Å; R163-D534 IonicContact CZ-OD2 3.88Å; R163-D534 IonicContact NE-OD2 3.68Å; R163-D534 IonicContact NH1-OD1 2.71Å; R163-D534 PolarHBondContact NH1-OD1 3.49Å; R163-D534 IonicContact NH1-OD2 2.86Å; R163-D534 PolarHBondContact NH1-OD2 3.2Å; D534-T547 WeakPolarHBondContact OD1-CG2 3.49Å
535	F	90.7	Very high	87.3	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.009	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	123.6	-175.6	179.2	-103.2	0	0	0	111.1	F131 W135 Y138 A139 Y142 A537 K545 Y546 L548	F131-F535 HydrophobicContact CE2-CD1 4.08Å; F131-F535 AromaticContact CE2-CE1 3.61Å; F131-F535 HydrophobicContact CE2-CE1 3.61Å; F131-F535 HydrophobicContact CE2-CZ 4.43Å; F131-F535 HydrophobicContact CZ-CD1 4.19Å; F131-F535 AromaticContact CZ-CE1 3.8Å; F131-F535 HydrophobicContact CZ-CE1 3.8Å; W135-F535 HydrophobicContact CE3-CE1 4.33Å; W135-F535 HydrophobicContact CE3-CZ 4.03Å; W135-F535 HydrophobicContact CZ3-CE1 4.25Å; W135-F535 AromaticContact CZ3-CZ 3.92Å; W135-F535 HydrophobicContact CZ3-CZ 3.92Å; Y138-F535 AromaticContact CD1-CE2 3.87Å; Y138-F535 HydrophobicContact CD1-CE2 3.87Å; Y138-F535 AromaticContact CD1-CZ 3.78Å; Y138-F535 HydrophobicContact CD1-CZ 3.78Å; Y138-F535 AromaticContact CE1-CE2 3.61Å; Y138-F535 HydrophobicContact CE1-CE2 3.61Å; Y138-F535 AromaticContact CE1-CZ 3.69Å; Y138-F535 HydrophobicContact CE1-CZ 3.69Å; A139-F535 HydrophobicContact CB-CD2 4.39Å; A139-F535 HydrophobicContact CB-CE2 4.15Å; A139-F535 HydrophobicContact CB-CZ 4.29Å; Y142-F535 AromaticContact CD1-CD2 3.61Å; Y142-F535 HydrophobicContact CD1-CD2 3.61Å; Y142-F535 HydrophobicContact CD1-CE2 4.29Å; Y142-F535 HydrophobicContact CE1-CD2 4.05Å; Y142-F535 AromaticContact CG-CD2 3.87Å; Y142-F535 HydrophobicContact CG-CD2 3.87Å; Y142-F535 HydrophobicContact CG-CE2 4.08Å; F535-A537 HydrophobicContact CD1-CB 4.5Å; F535-A537 HydrophobicContact CE1-CB 3.99Å; F535-K545 WeakPolarHBondContact O-CA 3.4Å; F535-Y546 HydrophobicContact CD1-CD2 4.37Å; F535-Y546 PolarHBondContact N-O 3.47Å; F535-Y546 PolarHBondContact O-N 3.45Å; F535-L548 HydrophobicContact CB-CD1 3.92Å; F535-L548 HydrophobicContact CB-CG 4.23Å; F535-L548 HydrophobicContact CG-CD1 4.23Å
536	E	89.4	Confident	88	Confident	83 Å²	83	63 Å²	63	39%	0.388	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	105.3	179.5	-64.2	-157.1	-154.9	0	0	112.5	K545	E536-K545 VanDerWaalsContact CD-CE 3.5Å; E536-K545 HydrophobicContact CG-CD 4.04Å; E536-K545 HydrophobicContact CG-CG 3.96Å; E536-K545 WeakPolarHBondContact OE1-CD 3.32Å; E536-K545 WeakPolarHBondContact OE1-CE 3.31Å; E536-K545 IonicContact OE1-NZ 3.93Å; E536-K545 PolarHBondContact OE1-NZ 3.03Å
537	A	87.2	Confident	88.7	Confident	5 Å²	5	65.4 Å²	65.4	4%	0.041	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	126.3	172.8	0	0	0	0	0	110.8	W135 F535 K539 H544 Y546	W135-A537 HydrophobicContact CZ3-CB 4.49Å; F535-A537 HydrophobicContact CD1-CB 4.5Å; F535-A537 HydrophobicContact CE1-CB 3.99Å; A537-K539 PolarHBondContact O-N 3.18Å; A537-H544 PolarHBondContact N-O 3.47Å; A537-H544 PolarHBondContact O-N 3.4Å; A537-Y546 HydrophobicContact CB-CD2 4.27Å; A537-Y546 HydrophobicContact CB-CE2 3.88Å
538	K	85.9	Confident	89.2	Confident	171 Å²	171	65.3 Å²	65.3	74%	0.743	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	102.1	173.2	-63.5	-170.8	178.9	179.8	0	110
539	K	83.7	Confident	89.4	Confident	82 Å²	82	69 Å²	69	36%	0.357	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	159.5	166	-70.2	175.9	171.1	172.2	0	109	E130 A537 G541 K542 Y546	E130-K539 IonicContact OE1-NZ 2.77Å; E130-K539 PolarHBondContact OE1-NZ 3.06Å; E130-K539 IonicContact OE2-NZ 2.85Å; E130-K539 PolarHBondContact OE2-NZ 3.21Å; A537-K539 PolarHBondContact O-N 3.18Å; K539-G541 PolarHBondContact O-N 2.88Å; K539-K542 PolarHBondContact N-O 3.09Å; K539-K542 PolarHBondContact O-N 3.33Å; K539-Y546 PolarHBondContact NZ-OH 2.85Å
540	L	82.9	Confident	89.7	Confident	190 Å²	190	65.7 Å²	65.7	100%	0.995	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	123.7	-175.7	-159.8	72.3	0	0	0	110.1
541	G	82.4	Confident	89.7	Confident	85 Å²	85	67.7 Å²	67.7	88%	0.876	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	-21.5	-179.8	0	0	0	0	0	116.5	K539	K539-G541 PolarHBondContact O-N 2.88Å
542	K	88.7	Confident	89.7	Confident	151 Å²	151	67.8 Å²	67.8	66%	0.657	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-156	141	177.5	-164.2	172.8	179.4	177.7	0	113.2	K539 H544	K539-K542 PolarHBondContact N-O 3.09Å; K539-K542 PolarHBondContact O-N 3.33Å; K542-H544 PolarHBondContact O-CD2 2.96Å
543	N	87.9	Confident	89.5	Confident	83 Å²	83	68.9 Å²	68.9	44%	0.444	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	126.7	165.9	-63.6	6.1	0	0	0	109.4
544	H	87.7	Confident	89.3	Confident	79 Å²	79	68.9 Å²	68.9	37%	0.366	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	121.5	172.8	-72.5	-111.5	0	0	0	109.3	A537 K542 Y546	A537-H544 PolarHBondContact N-O 3.47Å; A537-H544 PolarHBondContact O-N 3.4Å; K542-H544 PolarHBondContact O-CD2 2.96Å; H544-Y546 HydrophobicContact CB-CD2 4.2Å; H544-Y546 HydrophobicContact CB-CE2 3.49Å; H544-Y546 VanDerWaalsContact CB-CE2 3.49Å
545	K	89	Confident	89.2	Confident	151 Å²	151	66 Å²	66	66%	0.657	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	127.3	171.7	-50	-150.5	-175.1	-155	0	109.4	F535 E536	F535-K545 WeakPolarHBondContact O-CA 3.4Å; E536-K545 VanDerWaalsContact CD-CE 3.5Å; E536-K545 HydrophobicContact CG-CD 4.04Å; E536-K545 HydrophobicContact CG-CG 3.96Å; E536-K545 WeakPolarHBondContact OE1-CD 3.32Å; E536-K545 WeakPolarHBondContact OE1-CE 3.31Å; E536-K545 IonicContact OE1-NZ 3.93Å; E536-K545 PolarHBondContact OE1-NZ 3.03Å
546	Y	90.9	Very high	89	Confident	32 Å²	32	70.6 Å²	70.6	13%	0.125	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.8	178	-66.9	-97.8	0	0	0	109.3	P128 E130 F131 F535 A537 K539 H544	P128-Y546 HydrophobicContact CG-CD1 3.94Å; P128-Y546 HydrophobicContact CG-CE1 4.06Å; E130-Y546 VanDerWaalsContact OE1-CE1 3.28Å; E130-Y546 WeakPolarHBondContact OE1-CE1 3.33Å; E130-Y546 VanDerWaalsContact OE1-CZ 3.3Å; E130-Y546 PolarHBondContact OE1-OH 3.11Å; F131-Y546 HydrophobicContact CE1-CE1 4.29Å; F131-Y546 HydrophobicContact CE1-CE2 4.37Å; F131-Y546 HydrophobicContact CZ-CD2 4.3Å; F131-Y546 HydrophobicContact CZ-CE1 4.41Å; F131-Y546 HydrophobicContact CZ-CE2 4.16Å; F535-Y546 HydrophobicContact CD1-CD2 4.37Å; F535-Y546 PolarHBondContact N-O 3.47Å; F535-Y546 PolarHBondContact O-N 3.45Å; A537-Y546 HydrophobicContact CB-CD2 4.27Å; A537-Y546 HydrophobicContact CB-CE2 3.88Å; K539-Y546 PolarHBondContact NZ-OH 2.85Å; H544-Y546 HydrophobicContact CB-CD2 4.2Å; H544-Y546 HydrophobicContact CB-CE2 3.49Å; H544-Y546 VanDerWaalsContact CB-CE2 3.49Å
547	T	92.1	Very high	89	Confident	76 Å²	76	70 Å²	70	47%	0.466	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	96	174.1	59.2	0	0	0	0	108.8	L157 C533 D534	L157-T547 HydrophobicContact CD1-CG2 4.13Å; C533-T547 CarbonylContact O-C 3.59Å; D534-T547 WeakPolarHBondContact OD1-CG2 3.49Å
548	L	93.2	Very high	89.2	Confident	5 Å²	5	69.8 Å²	69.8	3%	0.026	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	135	-178.2	-56.2	-179.4	0	0	0	110.5	I127 A139 F532 C533 F535	I127-L548 HydrophobicContact CG1-CD1 4.31Å; I127-L548 HydrophobicContact CG1-CD2 4.31Å; A139-L548 HydrophobicContact CB-CD1 3.92Å; F532-L548 CarbonylContact C-O 3.52Å; F532-L548 WeakPolarHBondContact CA-O 2.99Å; C533-L548 HydrophobicContact CB-CB 4.4Å; C533-L548 PolarHBondContact N-O 3.26Å; C533-L548 PolarHBondContact O-N 2.84Å; F535-L548 HydrophobicContact CB-CD1 3.92Å; F535-L548 HydrophobicContact CB-CG 4.23Å; F535-L548 HydrophobicContact CG-CD1 4.23Å
549	Q	94.1	Very high	89.3	Confident	78 Å²	78	62.2 Å²	62.2	36%	0.364	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	117.5	173.1	-178.7	179.2	-40	0	0	109	W126 V530 F532	W126-Q549 HydrophobicContact CB-CB 4.49Å; W126-Q549 PolarHBondContact N-O 3.32Å; V530-Q549 HydrophobicContact CG1-CG 3.54Å; F532-Q549 HydrophobicContact CD1-CB 4.13Å; F532-Q549 HydrophobicContact CD1-CG 4.42Å; F532-Q549 HydrophobicContact CE1-CB 3.89Å; F532-Q549 HydrophobicContact CE1-CG 3.92Å; F532-Q549 HydrophobicContact CZ-CG 4.42Å
550	C	94.6	Very high	89.5	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.5	-173.6	-56.8	0	0	0	0	112.3	I123 Q124 C125 V530 T531	I123-C550 HydrophobicContact CD1-CB 3.69Å; I123-C550 HydrophobicContact CG1-CB 3.83Å; Q124-C550 CarbonylContact O-C 3.58Å; Q124-C550 VanDerWaalsContact O-CA 3.31Å; Q124-C550 WeakPolarHBondContact O-CA 3.36Å; C125-C550 HydrophobicContact CB-CB 4.12Å; C125-C550 WeakPolarHBondContact CB-SG 3.32Å; C125-C550 WeakPolarHBondContact SG-CB 3.29Å; C125-C550 CovalentContact SG-SG 2.05Å; C125-C550 PolarHBondContact SG-SG 3.33Å; V530-C550 WeakPolarHBondContact CA-O 3.45Å; T531-C550 PolarHBondContact N-O 2.74Å; T531-C550 PolarHBondContact O-N 3.46Å; T531-C550 PolarHBondContact OG1-O 2.88Å
551	V	93.3	Very high	90	Very high	67 Å²	67	54.1 Å²	54.1	41%	0.406	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	139.8	171.5	-176.7	0	0	0	0	108.7	I123 Q124 R529 P553	I123-V551 WeakPolarHBondContact CG1-O 3.43Å; Q124-V551 PolarHBondContact N-O 3.49Å; Q124-V551 PolarHBondContact O-N 3.41Å; R529-V551 WeakPolarHBondContact O-CA 3.37Å; V551-P553 HydrophobicContact CG1-CG 4.4Å; V551-P553 WeakPolarHBondContact O-CD 3.33Å
552	L	90.9	Very high	90.4	Very high	1 Å²	1	50 Å²	50	1%	0.005	24%	0.243	C	C	.	.			trans	-122.9	76.5	-174.4	-164.4	71.9	0	0	0	111.3	I123 W144 Y171 R529 L554 N555	I123-L552 HydrophobicContact CB-CD1 4.14Å; I123-L552 HydrophobicContact CD1-CD1 4.21Å; I123-L552 HydrophobicContact CG1-CD1 3.99Å; W144-L552 HydrophobicContact CE3-CD1 4.42Å; W144-L552 HydrophobicContact CZ3-CD1 4.06Å; Y171-L552 HydrophobicContact CD1-CD2 3.45Å; Y171-L552 VanDerWaalsContact CD1-CD2 3.45Å; Y171-L552 HydrophobicContact CE1-CD1 4.47Å; Y171-L552 HydrophobicContact CE1-CD2 3.55Å; Y171-L552 HydrophobicContact CE2-CD1 4.34Å; Y171-L552 HydrophobicContact CG-CD2 3.96Å; R529-L552 PolarHBondContact O-N 3.46Å; L552-L554 PolarHBondContact O-N 2.97Å; L552-L554 VanDerWaalsContact O-N 3.11Å; L552-N555 HydrophobicContact CD2-CB 4.11Å; L552-N555 HydrophobicContact CG-CB 4.39Å; L552-N555 WeakPolarHBondContact O-CB 3.45Å; L552-N555 PolarHBondContact O-N 3.39Å
553	P	89.9	Confident	90.4	Very high	41 Å²	41	43.6 Å²	43.6	27%	0.266	22%	0.216	S	C	.	.	H	α-helix	trans	-58.4	-29.1	-172.9	-25.2	34.9	0	0	0	114.1	V551 N555 M556 F557	V551-P553 HydrophobicContact CG1-CG 4.4Å; V551-P553 WeakPolarHBondContact O-CD 3.33Å; P553-N555 PolarHBondContact O-N 2.99Å; P553-M556 WeakPolarHBondContact O-CB 3.4Å; P553-M556 PolarHBondContact O-N 3.3Å; P553-F557 WeakPolarHBondContact O-CD2 3.45Å
554	L	88.7	Confident	90.7	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-55.8	-35.2	176.4	-168.9	65.1	0	0	0	112.2	I113 R116 W144 L552 M556 F557 L558	I113-L554 HydrophobicContact CG2-CD1 4.06Å; R116-L554 HydrophobicContact CB-CD1 3.72Å; W144-L554 HydrophobicContact CH2-CD2 3.76Å; W144-L554 HydrophobicContact CZ3-CD2 4.36Å; L552-L554 PolarHBondContact O-N 2.97Å; L552-L554 VanDerWaalsContact O-N 3.11Å; L554-M556 VanDerWaalsContact C-N 3.29Å; L554-M556 PolarHBondContact O-N 3.49Å; L554-F557 WeakPolarHBondContact O-CB 3.31Å; L554-F557 PolarHBondContact O-N 2.92Å; L554-L558 PolarHBondContact O-N 3.04Å; L554-L558 VanDerWaalsContact O-N 3.16Å
555	N	89.2	Confident	91	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-69.1	-27.9	-173.9	-141	6.4	0	0	0	113	Y170 F527 P528 L552 P553 F557 L558 E559	Y170-N555 PolarHBondContact OH-ND2 3.28Å; Y170-N555 PolarHBondContact OH-OD1 3.48Å; F527-N555 VanDerWaalsContact C-ND2 3.33Å; F527-N555 WeakPolarHBondContact CA-ND2 3.24Å; F527-N555 WeakPolarHBondContact CD1-OD1 3.45Å; P528-N555 PolarHBondContact O-ND2 3.34Å; L552-N555 HydrophobicContact CD2-CB 4.11Å; L552-N555 HydrophobicContact CG-CB 4.39Å; L552-N555 WeakPolarHBondContact O-CB 3.45Å; L552-N555 PolarHBondContact O-N 3.39Å; P553-N555 PolarHBondContact O-N 2.99Å; N555-F557 PolarHBondContact O-N 2.97Å; N555-L558 PolarHBondContact O-N 3.17Å; N555-E559 WeakPolarHBondContact O-CB 3.38Å; N555-E559 PolarHBondContact O-N 3.22Å
556	M	87.7	Confident	91.2	Very high	98 Å²	98	33.8 Å²	33.8	48%	0.483	17%	0.168	S	C	.	.	H	α-helix	trans	-62.4	-29.6	172.8	-171.2	178.5	-178.3	0	0	112.2	P553 L554	P553-M556 WeakPolarHBondContact O-CB 3.4Å; P553-M556 PolarHBondContact O-N 3.3Å; L554-M556 VanDerWaalsContact C-N 3.29Å; L554-M556 PolarHBondContact O-N 3.49Å
557	F	89.1	Confident	91.3	Very high	71 Å²	71	35.4 Å²	35.4	31%	0.311	18%	0.176	S	C	.	.	H	α-helix	trans	-81.5	-42.5	174.2	-66.1	-87.9	0	0	0	111.5	R116 P553 L554 N555 E559 K560 I561	R116-F557 HydrophobicContact CG-CD2 4.34Å; R116-F557 HydrophobicContact CG-CE2 4.36Å; P553-F557 WeakPolarHBondContact O-CD2 3.45Å; L554-F557 WeakPolarHBondContact O-CB 3.31Å; L554-F557 PolarHBondContact O-N 2.92Å; N555-F557 PolarHBondContact O-N 2.97Å; F557-E559 VanDerWaalsContact C-N 3.34Å; F557-E559 PolarHBondContact O-N 3.04Å; F557-K560 PolarHBondContact O-N 3.13Å; F557-I561 HydrophobicContact CB-CD1 4.34Å; F557-I561 WeakPolarHBondContact O-CB 3.49Å; F557-I561 WeakPolarHBondContact O-CG1 3.39Å; F557-I561 PolarHBondContact O-N 3.45Å
558	L	90.4	Very high	91.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-57.7	-46.2	176.6	-62.9	-179.1	0	0	0	111.6	I113 Y170 A174 F527 L554 N555 K560 I561 Y562	I113-L558 HydrophobicContact CD1-CD2 3.8Å; I113-L558 HydrophobicContact CG1-CD2 4.21Å; I113-L558 HydrophobicContact CG2-CD2 4.38Å; Y170-L558 HydrophobicContact CD2-CD1 4.4Å; Y170-L558 HydrophobicContact CE2-CD1 4.24Å; A174-L558 HydrophobicContact CB-CD1 4.09Å; A174-L558 HydrophobicContact CB-CD2 3.63Å; F527-L558 HydrophobicContact CD1-CB 4.48Å; F527-L558 HydrophobicContact CE1-CB 4.37Å; L554-L558 PolarHBondContact O-N 3.04Å; L554-L558 VanDerWaalsContact O-N 3.16Å; N555-L558 PolarHBondContact O-N 3.17Å; L558-K560 PolarHBondContact O-N 2.78Å; L558-I561 PolarHBondContact O-N 2.93Å; L558-Y562 HydrophobicContact CD2-CE2 4.29Å; L558-Y562 WeakPolarHBondContact O-CB 3.31Å; L558-Y562 WeakPolarHBondContact O-CD2 3.36Å; L558-Y562 PolarHBondContact O-N 3.09Å
559	E	88.3	Confident	91.5	Very high	13 Å²	13	34.4 Å²	34.4	6%	0.061	16%	0.163	C	C	.	.	H	α-helix	trans	-49.7	-55	175.3	-172.3	-157.6	135.7	0	0	111.5	F527 R529 N555 F557 I563	F527-E559 HydrophobicContact CB-CB 4.02Å; F527-E559 HydrophobicContact CB-CG 4.16Å; F527-E559 HydrophobicContact CD1-CB 4.43Å; F527-E559 HydrophobicContact CD2-CB 4.09Å; F527-E559 HydrophobicContact CD2-CG 3.9Å; F527-E559 HydrophobicContact CG-CB 3.94Å; F527-E559 HydrophobicContact CG-CG 4.16Å; R529-E559 IonicContact CZ-OE2 2.63Å; R529-E559 IonicContact NE-OE2 2.77Å; R529-E559 PolarHBondContact NE-OE2 2.95Å; R529-E559 IonicContact NH2-OE1 2.9Å; R529-E559 IonicContact NH2-OE2 3.71Å; R529-E559 PolarHBondContact NH2-OE2 2.92Å; N555-E559 WeakPolarHBondContact O-CB 3.38Å; N555-E559 PolarHBondContact O-N 3.22Å; F557-E559 VanDerWaalsContact C-N 3.34Å; F557-E559 PolarHBondContact O-N 3.04Å; E559-I563 HydrophobicContact CG-CD1 4.14Å; E559-I563 VanDerWaalsContact O-CD1 3.27Å; E559-I563 WeakPolarHBondContact O-CD1 3.33Å; E559-I563 WeakPolarHBondContact O-CG1 3.37Å; E559-I563 PolarHBondContact O-N 3.38Å; E559-I563 VanDerWaalsContact O-N 3.16Å
560	K	89.2	Confident	91.5	Very high	88 Å²	88	32.3 Å²	32.3	38%	0.383	16%	0.157	S	C	.	.	H	α-helix	trans	-72.1	-37.6	-176.3	-55.6	-47.6	-176.5	-170.1	0	112.8	L515 F557 L558 F564	L515-K560 VanDerWaalsContact CD2-NZ 3.35Å; F557-K560 PolarHBondContact O-N 3.13Å; L558-K560 PolarHBondContact O-N 2.78Å; K560-F564 WeakPolarHBondContact O-CB 3.5Å; K560-F564 PolarHBondContact O-N 3.41Å
561	I	92.5	Very high	91.5	Very high	13 Å²	13	36.6 Å²	36.6	7%	0.067	18%	0.179	C	C	.	.	H	α-helix	trans	-66.8	-45.6	178.7	-67.2	168.9	0	0	0	110.5	F109 I113 M178 F557 L558 I563 F564 L565	F109-I561 HydrophobicContact CB-CG2 4.01Å; F109-I561 HydrophobicContact CD1-CB 4.39Å; F109-I561 HydrophobicContact CD1-CD1 3.87Å; F109-I561 HydrophobicContact CD1-CG1 3.71Å; F109-I561 HydrophobicContact CD1-CG2 3.84Å; F109-I561 HydrophobicContact CD2-CG2 4.07Å; F109-I561 HydrophobicContact CE1-CG1 3.98Å; F109-I561 HydrophobicContact CE1-CG2 4.32Å; F109-I561 HydrophobicContact CG-CG1 4.44Å; F109-I561 HydrophobicContact CG-CG2 3.72Å; I113-I561 HydrophobicContact CD1-CD1 3.99Å; I113-I561 HydrophobicContact CG1-CD1 3.74Å; M178-I561 HydrophobicContact CE-CG2 3.83Å; F557-I561 HydrophobicContact CB-CD1 4.34Å; F557-I561 WeakPolarHBondContact O-CB 3.49Å; F557-I561 WeakPolarHBondContact O-CG1 3.39Å; F557-I561 PolarHBondContact O-N 3.45Å; L558-I561 PolarHBondContact O-N 2.93Å; I561-I563 PolarHBondContact O-N 3.17Å; I561-F564 PolarHBondContact O-N 2.87Å; I561-L565 HydrophobicContact CG2-CD1 3.71Å; I561-L565 HydrophobicContact CG2-CG 4.16Å; I561-L565 VanDerWaalsContact O-CB 3.27Å; I561-L565 WeakPolarHBondContact O-CB 3.28Å; I561-L565 VanDerWaalsContact O-CG 3.28Å; I561-L565 WeakPolarHBondContact O-CG 3.42Å; I561-L565 PolarHBondContact O-N 2.79Å
562	Y	91.2	Very high	91.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-70.8	-30.3	-179.7	-84.9	-106.9	0	0	0	113.2	M178 M496 F499 V500 Y507 L558 W566	M178-Y562 HydrophobicContact CE-CE2 3.84Å; M496-Y562 HydrophobicContact CB-CD1 4.49Å; M496-Y562 HydrophobicContact CE-CD1 3.65Å; M496-Y562 HydrophobicContact CE-CE1 4.24Å; M496-Y562 HydrophobicContact CE-CG 4.21Å; M496-Y562 HydrophobicContact CG-CD1 4.37Å; M496-Y562 HydrophobicContact CG-CE1 4.31Å; F499-Y562 HydrophobicContact CD1-CD1 4.31Å; F499-Y562 AromaticContact CD1-CE1 3.46Å; F499-Y562 HydrophobicContact CD1-CE1 3.46Å; F499-Y562 VanDerWaalsContact CD1-CE1 3.46Å; F499-Y562 AromaticContact CD1-CZ 3.62Å; F499-Y562 AromaticContact CE1-CE1 3.85Å; F499-Y562 HydrophobicContact CE1-CE1 3.85Å; F499-Y562 HydrophobicContact CE1-CE2 4.14Å; F499-Y562 AromaticContact CE1-CZ 3.48Å; F499-Y562 VanDerWaalsContact CE1-CZ 3.48Å; F499-Y562 WeakPolarHBondContact CE1-OH 3.34Å; F499-Y562 HydrophobicContact CG-CE1 4.33Å; V500-Y562 HydrophobicContact CG2-CD1 4.09Å; Y507-Y562 PolarHBondContact OH-O 3.32Å; L558-Y562 HydrophobicContact CD2-CE2 4.29Å; L558-Y562 WeakPolarHBondContact O-CB 3.31Å; L558-Y562 WeakPolarHBondContact O-CD2 3.36Å; L558-Y562 PolarHBondContact O-N 3.09Å; Y562-W566 WeakPolarHBondContact O-CB 3.41Å; Y562-W566 PolarHBondContact O-N 2.89Å; Y562-W566 VanDerWaalsContact O-N 3.11Å
563	I	89.5	Confident	91.9	Very high	15 Å²	15	34.2 Å²	34.2	8%	0.077	17%	0.168	C	C	.	.	H	α-helix	trans	-66.1	-52.7	169.7	-66.3	163.1	0	0	0	110.1	V511 L515 E559 I561 L565 W566 F567	V511-I563 HydrophobicContact CG1-CD1 3.63Å; V511-I563 HydrophobicContact CG1-CG1 3.89Å; L515-I563 HydrophobicContact CD2-CD1 4.43Å; E559-I563 HydrophobicContact CG-CD1 4.14Å; E559-I563 VanDerWaalsContact O-CD1 3.27Å; E559-I563 WeakPolarHBondContact O-CD1 3.33Å; E559-I563 WeakPolarHBondContact O-CG1 3.37Å; E559-I563 PolarHBondContact O-N 3.38Å; E559-I563 VanDerWaalsContact O-N 3.16Å; I561-I563 PolarHBondContact O-N 3.17Å; I563-L565 PolarHBondContact O-N 2.98Å; I563-W566 WeakPolarHBondContact O-CB 3.28Å; I563-W566 PolarHBondContact O-N 3.42Å; I563-W566 VanDerWaalsContact O-N 3.15Å; I563-F567 HydrophobicContact CG2-CD2 4.16Å; I563-F567 HydrophobicContact CG2-CE2 3.87Å; I563-F567 VanDerWaalsContact O-CD2 3.26Å; I563-F567 WeakPolarHBondContact O-CD2 3.4Å; I563-F567 PolarHBondContact O-N 3.33Å
564	F	93.1	Very high	92.2	Very high	97 Å²	97	37.6 Å²	37.6	43%	0.425	18%	0.183	S	C	.	.	H	α-helix	trans	-58.9	-46	179.8	172.7	-92.4	0	0	0	112	L105 F109 K560 I561 W566 F567 W568	L105-F564 HydrophobicContact CD1-CE1 4.07Å; L105-F564 HydrophobicContact CD2-CE1 4.04Å; F109-F564 AromaticContact CE2-CD1 3.71Å; F109-F564 HydrophobicContact CE2-CD1 3.71Å; F109-F564 AromaticContact CE2-CE1 3.77Å; F109-F564 HydrophobicContact CE2-CE1 3.77Å; F109-F564 AromaticContact CZ-CD1 3.47Å; F109-F564 HydrophobicContact CZ-CD1 3.47Å; F109-F564 VanDerWaalsContact CZ-CD1 3.47Å; F109-F564 AromaticContact CZ-CE1 3.65Å; F109-F564 HydrophobicContact CZ-CE1 3.65Å; F109-F564 HydrophobicContact CZ-CG 4.43Å; K560-F564 WeakPolarHBondContact O-CB 3.5Å; K560-F564 PolarHBondContact O-N 3.41Å; I561-F564 PolarHBondContact O-N 2.87Å; F564-W566 VanDerWaalsContact C-N 3.29Å; F564-W566 PolarHBondContact O-N 3.15Å; F564-F567 PolarHBondContact O-N 2.98Å; F564-W568 HydrophobicContact CZ-CE3 4.46Å; F564-W568 PolarHBondContact O-N 3.36Å
565	L	93.7	Very high	92.6	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.6	-34.6	177.6	-75.9	178.9	0	0	0	112	L105 M106 F109 M178 M496 I561 I563 W568 H569	L105-L565 HydrophobicContact CD2-CD2 4.17Å; L105-L565 HydrophobicContact CG-CD2 4.45Å; M106-L565 HydrophobicContact CE-CD1 3.97Å; M106-L565 HydrophobicContact CE-CD2 3.6Å; M106-L565 HydrophobicContact CE-CG 4.33Å; M106-L565 HydrophobicContact SD-CD1 3.79Å; M106-L565 HydrophobicContact SD-CD2 3.93Å; F109-L565 HydrophobicContact CD2-CD1 4.2Å; F109-L565 HydrophobicContact CD2-CD2 3.82Å; F109-L565 HydrophobicContact CD2-CG 4.11Å; F109-L565 HydrophobicContact CE2-CD2 3.64Å; F109-L565 HydrophobicContact CE2-CG 4.02Å; M178-L565 HydrophobicContact CE-CD1 3.9Å; M178-L565 HydrophobicContact SD-CD1 4.42Å; M496-L565 HydrophobicContact CE-CB 3.55Å; M496-L565 HydrophobicContact CE-CD1 4.5Å; I561-L565 HydrophobicContact CG2-CD1 3.71Å; I561-L565 HydrophobicContact CG2-CG 4.16Å; I561-L565 VanDerWaalsContact O-CB 3.27Å; I561-L565 WeakPolarHBondContact O-CB 3.28Å; I561-L565 VanDerWaalsContact O-CG 3.28Å; I561-L565 WeakPolarHBondContact O-CG 3.42Å; I561-L565 PolarHBondContact O-N 2.79Å; I563-L565 PolarHBondContact O-N 2.98Å; L565-W568 PolarHBondContact O-N 3.43Å; L565-H569 PolarHBondContact O-N 3.29Å; L565-H569 PolarHBondContact O-ND1 3Å
566	W	93	Very high	92.9	Very high	11 Å²	11	40.3 Å²	40.3	4%	0.042	20%	0.197	C	C	.	.	H	α-helix	trans	-60.7	-49.9	176.3	-169.9	86.6	0	0	0	111.6	L493 F506 Y507 F509 Y562 I563 F564 W568 H569 C570	L493-W566 HydrophobicContact CD2-CG 4.38Å; F506-W566 HydrophobicContact CD1-CH2 4.45Å; F506-W566 HydrophobicContact CD1-CZ2 4.28Å; Y507-W566 AromaticContact CD1-CD1 3.94Å; Y507-W566 AromaticContact CD1-NE1 4Å; Y507-W566 AromaticContact CE1-CD1 3.28Å; Y507-W566 HydrophobicContact CE1-CG 4.26Å; Y507-W566 AromaticContact CE1-NE1 3.78Å; Y507-W566 AromaticContact CZ-CD1 3.45Å; Y507-W566 VanDerWaalsContact CZ-CD1 3.45Å; F509-W566 HydrophobicContact CD1-CZ3 4.36Å; F509-W566 AromaticContact CD2-CH2 3.37Å; F509-W566 HydrophobicContact CD2-CH2 3.37Å; F509-W566 HydrophobicContact CD2-CZ2 4.39Å; F509-W566 AromaticContact CD2-CZ3 3.8Å; F509-W566 HydrophobicContact CD2-CZ3 3.8Å; F509-W566 HydrophobicContact CE1-CZ3 4.42Å; F509-W566 AromaticContact CE2-CH2 3.53Å; F509-W566 HydrophobicContact CE2-CH2 3.53Å; F509-W566 AromaticContact CE2-CZ3 3.87Å; F509-W566 HydrophobicContact CE2-CZ3 3.87Å; F509-W566 HydrophobicContact CG-CH2 4.01Å; F509-W566 HydrophobicContact CG-CZ3 4.05Å; F509-W566 HydrophobicContact CZ-CH2 4.29Å; F509-W566 HydrophobicContact CZ-CZ3 4.18Å; Y562-W566 WeakPolarHBondContact O-CB 3.41Å; Y562-W566 PolarHBondContact O-N 2.89Å; Y562-W566 VanDerWaalsContact O-N 3.11Å; I563-W566 WeakPolarHBondContact O-CB 3.28Å; I563-W566 PolarHBondContact O-N 3.42Å; I563-W566 VanDerWaalsContact O-N 3.15Å; F564-W566 VanDerWaalsContact C-N 3.29Å; F564-W566 PolarHBondContact O-N 3.15Å; W566-W568 VanDerWaalsContact C-N 3.32Å; W566-W568 PolarHBondContact O-N 3.25Å; W566-H569 PolarHBondContact O-N 3.41Å; W566-C570 PolarHBondContact O-N 2.89Å; W566-C570 PolarHBondContact O-SG 3.44Å; W566-C570 VanDerWaalsContact O-SG 3.39Å
567	F	93.5	Very high	93.4	Very high	66 Å²	66	39.7 Å²	39.7	29%	0.289	20%	0.195	S	C	.	.	H	α-helix	trans	-62.6	-37.9	176.1	-71.4	-71.6	0	0	0	112.5	F509 L512 I563 F564 C570 L571	F509-F567 AromaticContact CD1-CE1 3.93Å; F509-F567 HydrophobicContact CD1-CE1 3.93Å; F509-F567 HydrophobicContact CD1-CZ 4.07Å; F509-F567 AromaticContact CE1-CE1 3.69Å; F509-F567 HydrophobicContact CE1-CE1 3.69Å; F509-F567 HydrophobicContact CE1-CZ 4.29Å; F509-F567 HydrophobicContact CZ-CE1 4.35Å; L512-F567 HydrophobicContact CB-CE2 4.27Å; L512-F567 HydrophobicContact CB-CZ 4.22Å; L512-F567 HydrophobicContact CD2-CE1 4.41Å; L512-F567 HydrophobicContact CD2-CE2 3.74Å; L512-F567 HydrophobicContact CD2-CZ 3.45Å; L512-F567 VanDerWaalsContact CD2-CZ 3.45Å; L512-F567 HydrophobicContact CG-CZ 4.45Å; I563-F567 HydrophobicContact CG2-CD2 4.16Å; I563-F567 HydrophobicContact CG2-CE2 3.87Å; I563-F567 VanDerWaalsContact O-CD2 3.26Å; I563-F567 WeakPolarHBondContact O-CD2 3.4Å; I563-F567 PolarHBondContact O-N 3.33Å; F564-F567 PolarHBondContact O-N 2.98Å; F567-C570 PolarHBondContact O-N 3.4Å; F567-L571 WeakPolarHBondContact O-CB 3.25Å; F567-L571 PolarHBondContact O-N 3.02Å
568	W	95.2	Very high	93.7	Very high	59 Å²	59	39.1 Å²	39.1	22%	0.223	20%	0.2	C	C	.	.	H	α-helix	trans	-61.1	-48.6	173.5	-177.3	-92.2	0	0	0	112.1	L97 T102 L105 F564 L565 W566 C570 L571 V572	L97-W568 HydrophobicContact CD1-CH2 4.21Å; L97-W568 HydrophobicContact CD1-CZ2 3.99Å; T102-W568 PolarHBondContact OG1-NE1 2.97Å; L105-W568 HydrophobicContact CD2-CD2 3.57Å; L105-W568 HydrophobicContact CD2-CE3 4.19Å; L105-W568 HydrophobicContact CD2-CG 3.72Å; L105-W568 HydrophobicContact CD2-CZ2 4.14Å; F564-W568 HydrophobicContact CZ-CE3 4.46Å; F564-W568 PolarHBondContact O-N 3.36Å; L565-W568 PolarHBondContact O-N 3.43Å; W566-W568 VanDerWaalsContact C-N 3.32Å; W566-W568 PolarHBondContact O-N 3.25Å; W568-C570 VanDerWaalsContact C-N 3.34Å; W568-C570 PolarHBondContact O-N 2.98Å; W568-L571 PolarHBondContact O-N 3.32Å; W568-V572 HydrophobicContact CD2-CG2 4.42Å; W568-V572 HydrophobicContact CG-CG2 4.45Å; W568-V572 HydrophobicContact CZ2-CG2 4.32Å; W568-V572 WeakPolarHBondContact O-CG2 3.32Å; W568-V572 PolarHBondContact O-N 2.94Å
569	H	94.1	Very high	93.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.7	-42.1	177	-76.5	93.1	0	0	0	112.3	M106 F185 Q492 L493 M496 L565 W566 V572 G573	M106-H569 VanDerWaalsContact CE-CE1 3.43Å; M106-H569 WeakPolarHBondContact CE-CE1 3.47Å; F185-H569 AromaticContact CE2-CD2 3.89Å; F185-H569 AromaticContact CE2-NE2 3.37Å; F185-H569 WeakPolarHBondContact CE2-NE2 3.27Å; F185-H569 AromaticContact CZ-CD2 3.54Å; F185-H569 AromaticContact CZ-NE2 3.56Å; Q492-H569 WeakPolarHBondContact CB-NE2 3.25Å; L493-H569 HydrophobicContact CD2-CB 3.66Å; L493-H569 HydrophobicContact CG-CB 4.11Å; M496-H569 PolarHBondContact SD-CE1 2.74Å; L565-H569 PolarHBondContact O-N 3.29Å; L565-H569 PolarHBondContact O-ND1 3Å; W566-H569 PolarHBondContact O-N 3.41Å; H569-V572 PolarHBondContact O-N 2.89Å; H569-G573 PolarHBondContact O-N 3.27Å
570	C	94.2	Very high	94.3	Very high	35 Å²	35	41.1 Å²	41.1	24%	0.236	21%	0.21	C	C	.	.	H	α-helix	trans	-61.9	-43.8	175.5	-69.6	0	0	0	0	112	W566 F567 W568 G573 I574	W566-C570 PolarHBondContact O-N 2.89Å; W566-C570 PolarHBondContact O-SG 3.44Å; W566-C570 VanDerWaalsContact O-SG 3.39Å; F567-C570 PolarHBondContact O-N 3.4Å; W568-C570 VanDerWaalsContact C-N 3.34Å; W568-C570 PolarHBondContact O-N 2.98Å; C570-G573 PolarHBondContact O-N 2.82Å; C570-I574 WeakPolarHBondContact O-CG1 3.28Å; C570-I574 PolarHBondContact O-N 3.12Å
571	L	95.3	Very high	94.6	Very high	90 Å²	90	41.7 Å²	41.7	47%	0.471	22%	0.216	S	C	.	.	H	α-helix	trans	-62.7	-46.7	176.3	179.6	63.1	0	0	0	112.1	F567 W568 G573 I574 I575	F567-L571 WeakPolarHBondContact O-CB 3.25Å; F567-L571 PolarHBondContact O-N 3.02Å; W568-L571 PolarHBondContact O-N 3.32Å; L571-G573 VanDerWaalsContact C-N 3.29Å; L571-G573 PolarHBondContact O-N 2.93Å; L571-I574 PolarHBondContact O-N 2.87Å; L571-I575 HydrophobicContact CD1-CD1 4.02Å; L571-I575 HydrophobicContact CG-CD1 4.01Å; L571-I575 WeakPolarHBondContact O-CG1 3.31Å; L571-I575 PolarHBondContact O-N 3.32Å
572	V	96.3	Very high	94.6	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-63.9	-35.5	175.5	179.5	0	0	0	0	111.1	L97 N98 I489 W568 H569 I575 T576	L97-V572 HydrophobicContact CD2-CB 4.4Å; L97-V572 HydrophobicContact CD2-CG1 4.29Å; L97-V572 HydrophobicContact CD2-CG2 3.92Å; L97-V572 HydrophobicContact CG-CG1 4.36Å; L97-V572 HydrophobicContact CG-CG2 3.95Å; N98-V572 WeakPolarHBondContact ND2-CG1 3.33Å; I489-V572 HydrophobicContact CD1-CG1 3.89Å; W568-V572 HydrophobicContact CD2-CG2 4.42Å; W568-V572 HydrophobicContact CG-CG2 4.45Å; W568-V572 HydrophobicContact CZ2-CG2 4.32Å; W568-V572 WeakPolarHBondContact O-CG2 3.32Å; W568-V572 PolarHBondContact O-N 2.94Å; H569-V572 PolarHBondContact O-N 2.89Å; V572-I575 PolarHBondContact O-N 3.47Å; V572-T576 HydrophobicContact CG1-CG2 4.34Å; V572-T576 WeakPolarHBondContact O-CB 3.42Å; V572-T576 WeakPolarHBondContact O-CG2 3.4Å; V572-T576 PolarHBondContact O-N 3.31Å; V572-T576 PolarHBondContact O-OG1 2.89Å
573	G	95.9	Very high	94.7	Very high	16 Å²	16	44.9 Å²	44.9	17%	0.165	23%	0.232	C	C	.	.	H	α-helix	trans	-61.4	-45.7	173.9	0	0	0	0	0	113.2	H569 C570 L571 T576 L577	H569-G573 PolarHBondContact O-N 3.27Å; C570-G573 PolarHBondContact O-N 2.82Å; L571-G573 VanDerWaalsContact C-N 3.29Å; L571-G573 PolarHBondContact O-N 2.93Å; G573-T576 WeakPolarHBondContact CA-OG1 3.34Å; G573-T576 PolarHBondContact O-OG1 3.35Å; G573-L577 VanDerWaalsContact O-CB 3.28Å; G573-L577 WeakPolarHBondContact O-CB 3.36Å; G573-L577 PolarHBondContact O-N 3.26Å
574	I	96.4	Very high	94.9	Very high	113 Å²	113	50.2 Å²	50.2	58%	0.579	26%	0.255	S	S	*	.	H	α-helix	trans	-63.4	-49.2	175.8	-66.3	163.2	0	0	0	110.2	C570 L571 T576 L577 S578	C570-I574 WeakPolarHBondContact O-CG1 3.28Å; C570-I574 PolarHBondContact O-N 3.12Å; L571-I574 PolarHBondContact O-N 2.87Å; I574-T576 PolarHBondContact O-N 2.94Å; I574-L577 PolarHBondContact O-N 3.46Å; I574-S578 PolarHBondContact O-N 3.06Å; I574-S578 PolarHBondContact O-OG 3.17Å; I574-S578 VanDerWaalsContact O-OG 3.12Å
575	I	96.8	Very high	94.9	Very high	53 Å²	53	53.4 Å²	53.4	27%	0.272	27%	0.265	S	S	.	.	H	α-helix	trans	-62.9	-40.1	-178.3	-67.5	166.6	0	0	0	111.9	A94 L97 L571 V572 S579	A94-I575 HydrophobicContact CB-CG2 3.93Å; L97-I575 HydrophobicContact CD2-CB 4.16Å; L97-I575 HydrophobicContact CD2-CD1 3.7Å; L97-I575 HydrophobicContact CD2-CG2 3.89Å; L571-I575 HydrophobicContact CD1-CD1 4.02Å; L571-I575 HydrophobicContact CG-CD1 4.01Å; L571-I575 WeakPolarHBondContact O-CG1 3.31Å; L571-I575 PolarHBondContact O-N 3.32Å; V572-I575 PolarHBondContact O-N 3.47Å; I575-S579 WeakPolarHBondContact O-CB 3.29Å; I575-S579 PolarHBondContact O-N 2.93Å
576	T	96.3	Very high	94.8	Very high	7 Å²	7	57.8 Å²	57.8	4%	0.043	28%	0.282	C	S	.	.	H	α-helix	trans	-69.1	-40.3	175.7	45	0	0	0	0	112.8	N98 L486 I489 V572 G573 I574 S579 F580	N98-T576 WeakPolarHBondContact ND2-CG2 3.44Å; L486-T576 WeakPolarHBondContact CD2-OG1 3.47Å; I489-T576 HydrophobicContact CD1-CG2 3.94Å; I489-T576 VanDerWaalsContact CD1-OG1 3.28Å; I489-T576 WeakPolarHBondContact CD1-OG1 3.34Å; V572-T576 HydrophobicContact CG1-CG2 4.34Å; V572-T576 WeakPolarHBondContact O-CB 3.42Å; V572-T576 WeakPolarHBondContact O-CG2 3.4Å; V572-T576 PolarHBondContact O-N 3.31Å; V572-T576 PolarHBondContact O-OG1 2.89Å; G573-T576 WeakPolarHBondContact CA-OG1 3.34Å; G573-T576 PolarHBondContact O-OG1 3.35Å; I574-T576 PolarHBondContact O-N 2.94Å; T576-S579 PolarHBondContact O-N 3.31Å; T576-F580 WeakPolarHBondContact O-CB 3.44Å; T576-F580 PolarHBondContact O-N 3.1Å
577	L	96.7	Very high	94.7	Very high	86 Å²	86	57.4 Å²	57.4	45%	0.45	28%	0.281	S	S	.	.	H	α-helix	trans	-63.9	-43.9	176.8	-177.6	59.6	0	0	0	110.8	L486 G573 I574 F580 I581	L486-L577 HydrophobicContact CD1-CD1 4.36Å; L486-L577 HydrophobicContact CD2-CB 4.07Å; L486-L577 HydrophobicContact CD2-CD1 4.47Å; G573-L577 VanDerWaalsContact O-CB 3.28Å; G573-L577 WeakPolarHBondContact O-CB 3.36Å; G573-L577 PolarHBondContact O-N 3.26Å; I574-L577 PolarHBondContact O-N 3.46Å; L577-F580 PolarHBondContact O-N 3.38Å; L577-I581 HydrophobicContact CD1-CD1 4.04Å; L577-I581 HydrophobicContact CD1-CG1 4.41Å; L577-I581 HydrophobicContact CG-CD1 3.97Å; L577-I581 VanDerWaalsContact O-CG1 3.31Å; L577-I581 WeakPolarHBondContact O-CG1 3.3Å; L577-I581 PolarHBondContact O-N 2.92Å
578	S	96.3	Very high	94.2	Very high	58 Å²	58	56.5 Å²	56.5	41%	0.406	29%	0.29	S	S	.	.	H	α-helix	trans	-58.9	-47.7	172.1	-60.2	0	0	0	0	111.9	I574 F580 I581 I582	I574-S578 PolarHBondContact O-N 3.06Å; I574-S578 PolarHBondContact O-OG 3.17Å; I574-S578 VanDerWaalsContact O-OG 3.12Å; S578-F580 PolarHBondContact O-N 3.12Å; S578-I581 PolarHBondContact O-N 3.03Å; S578-I582 WeakPolarHBondContact O-CB 3.4Å; S578-I582 WeakPolarHBondContact O-CD1 3.26Å; S578-I582 WeakPolarHBondContact O-CG1 3.49Å; S578-I582 PolarHBondContact O-N 3.06Å
579	S	95.1	Very high	93.8	Very high	9 Å²	9	56 Å²	56	6%	0.063	30%	0.296	C	S	.	.	H	α-helix	trans	-58.8	-46.2	175.6	175.7	0	0	0	0	111.6	D92 A94 K482 I575 T576 I581 I582 W583	D92-S579 PolarHBondContact OD2-OG 3.26Å; A94-S579 VanDerWaalsContact CB-CB 3.49Å; K482-S579 PolarHBondContact NZ-OG 3.23Å; I575-S579 WeakPolarHBondContact O-CB 3.29Å; I575-S579 PolarHBondContact O-N 2.93Å; T576-S579 PolarHBondContact O-N 3.31Å; S579-I581 PolarHBondContact O-N 2.88Å; S579-I582 PolarHBondContact O-N 2.99Å; S579-W583 WeakPolarHBondContact O-CB 3.28Å; S579-W583 PolarHBondContact O-N 3.19Å
580	F	95.3	Very high	93.5	Very high	47 Å²	47	58.3 Å²	58.3	21%	0.206	31%	0.311	C	S	.	.	H	α-helix	trans	-58.3	-48.8	178.2	-178.7	-99.1	0	0	0	112.1	F479 K482 F483 L486 T576 L577 S578 W583 F584	F479-F580 HydrophobicContact CD1-CD2 4.34Å; F479-F580 AromaticContact CD1-CE2 3.93Å; F479-F580 HydrophobicContact CD1-CE2 3.93Å; K482-F580 HydrophobicContact CB-CD2 3.74Å; K482-F580 HydrophobicContact CB-CE2 4.48Å; F483-F580 HydrophobicContact CB-CE2 4.36Å; L486-F580 HydrophobicContact CD1-CB 3.97Å; L486-F580 HydrophobicContact CD1-CD1 4.15Å; L486-F580 HydrophobicContact CD1-CD2 4.25Å; L486-F580 HydrophobicContact CD1-CG 3.87Å; T576-F580 WeakPolarHBondContact O-CB 3.44Å; T576-F580 PolarHBondContact O-N 3.1Å; L577-F580 PolarHBondContact O-N 3.38Å; S578-F580 PolarHBondContact O-N 3.12Å; F580-W583 PolarHBondContact O-N 3.23Å; F580-F584 VanDerWaalsContact O-CB 3.29Å; F580-F584 WeakPolarHBondContact O-CB 3.45Å; F580-F584 PolarHBondContact O-N 3.44Å
581	I	95.5	Very high	93.3	Very high	100 Å²	100	65.1 Å²	65.1	51%	0.513	34%	0.337	S	S	.	.	H	α-helix	trans	-63.3	-44.5	178.4	-66.5	166	0	0	0	111.1	L577 S578 S579 W583 F584 Y585	L577-I581 HydrophobicContact CD1-CD1 4.04Å; L577-I581 HydrophobicContact CD1-CG1 4.41Å; L577-I581 HydrophobicContact CG-CD1 3.97Å; L577-I581 VanDerWaalsContact O-CG1 3.31Å; L577-I581 WeakPolarHBondContact O-CG1 3.3Å; L577-I581 PolarHBondContact O-N 2.92Å; S578-I581 PolarHBondContact O-N 3.03Å; S579-I581 PolarHBondContact O-N 2.88Å; I581-W583 PolarHBondContact O-N 3.37Å; I581-F584 PolarHBondContact O-N 2.87Å; I581-Y585 PolarHBondContact O-N 3.28Å
582	I	93.9	Very high	93.2	Very high	79 Å²	79	62 Å²	62	41%	0.405	32%	0.322	S	S	.	.	H	α-helix	trans	-61.2	-45.4	177.9	-72.5	166	0	0	0	110.9	S578 S579 R586	S578-I582 WeakPolarHBondContact O-CB 3.4Å; S578-I582 WeakPolarHBondContact O-CD1 3.26Å; S578-I582 WeakPolarHBondContact O-CG1 3.49Å; S578-I582 PolarHBondContact O-N 3.06Å; S579-I582 PolarHBondContact O-N 2.99Å; I582-R586 HydrophobicContact CG2-CG 4.48Å; I582-R586 VanDerWaalsContact CG2-CZ 3.46Å; I582-R586 WeakPolarHBondContact O-CB 3.39Å; I582-R586 WeakPolarHBondContact O-CG 3.43Å; I582-R586 PolarHBondContact O-N 2.79Å
583	W	93.4	Very high	93	Very high	1 Å²	1	63.6 Å²	63.6	0%	0.004	33%	0.328	C	S	.	.	H	α-helix	trans	-67.1	-38.9	176.4	-82.9	99.7	0	0	0	112.3	D92 Y478 F479 K482 S579 F580 I581 R586 M587 F629 R632 I636	D92-W583 PolarHBondContact OD2-NE1 3.2Å; Y478-W583 AromaticContact CE1-CD2 3.64Å; Y478-W583 HydrophobicContact CE1-CD2 3.64Å; Y478-W583 AromaticContact CE1-CE2 3.81Å; Y478-W583 AromaticContact CE1-CE3 3.88Å; Y478-W583 HydrophobicContact CE1-CE3 3.88Å; Y478-W583 AromaticContact CE1-CG 3.97Å; Y478-W583 HydrophobicContact CE1-CG 3.97Å; Y478-W583 HydrophobicContact CE1-CH2 4.39Å; Y478-W583 HydrophobicContact CE1-CZ2 4.19Å; Y478-W583 HydrophobicContact CE1-CZ3 4.26Å; F479-W583 HydrophobicContact CE1-CB 4.13Å; F479-W583 HydrophobicContact CZ-CB 4.44Å; F479-W583 WeakPolarHBondContact CZ-O 3.27Å; K482-W583 VanDerWaalsContact CE-CD1 3.5Å; S579-W583 WeakPolarHBondContact O-CB 3.28Å; S579-W583 PolarHBondContact O-N 3.19Å; F580-W583 PolarHBondContact O-N 3.23Å; I581-W583 PolarHBondContact O-N 3.37Å; W583-R586 PolarHBondContact O-N 3.02Å; W583-M587 HydrophobicContact CE3-CG 4.12Å; W583-M587 WeakPolarHBondContact O-CB 3.5Å; W583-M587 PolarHBondContact O-N 3.02Å; W583-F629 HydrophobicContact CE3-CD2 4.35Å; W583-F629 AromaticContact CE3-CE2 3.97Å; W583-F629 HydrophobicContact CE3-CE2 3.97Å; W583-F629 HydrophobicContact CH2-CE2 4.02Å; W583-F629 AromaticContact CZ3-CD2 3.78Å; W583-F629 HydrophobicContact CZ3-CD2 3.78Å; W583-F629 AromaticContact CZ3-CE2 3.46Å; W583-F629 HydrophobicContact CZ3-CE2 3.46Å; W583-F629 VanDerWaalsContact CZ3-CE2 3.46Å; W583-F629 HydrophobicContact CZ3-CZ 4.36Å; W583-R632 HydrophobicContact CH2-CB 4.47Å; W583-R632 HydrophobicContact CZ3-CB 4.35Å; W583-I636 HydrophobicContact CH2-CD1 3.62Å; W583-I636 HydrophobicContact CZ2-CD1 3.46Å; W583-I636 VanDerWaalsContact CZ2-CD1 3.46Å
584	F	93.1	Very high	92.9	Very high	126 Å²	126	63.4 Å²	63.4	55%	0.553	32%	0.323	S	S	*	.	H	α-helix	trans	-58.5	-49	175.9	-172.8	-99.2	0	0	0	111.2	F479 F580 I581 M587 G588	F479-F584 HydrophobicContact CE1-CB 4Å; F479-F584 HydrophobicContact CE1-CD2 4.28Å; F479-F584 HydrophobicContact CZ-CB 4.42Å; F580-F584 VanDerWaalsContact O-CB 3.29Å; F580-F584 WeakPolarHBondContact O-CB 3.45Å; F580-F584 PolarHBondContact O-N 3.44Å; I581-F584 PolarHBondContact O-N 2.87Å; F584-M587 PolarHBondContact O-N 2.86Å; F584-G588 PolarHBondContact O-N 3.47Å
585	Y	92.2	Very high	92.8	Very high	165 Å²	165	66 Å²	66	65%	0.647	33%	0.331	S	S	*	.	H	α-helix	trans	-61.8	-44.1	173.7	-179.7	-93.2	0	0	0	112.8	I581 M587	I581-Y585 PolarHBondContact O-N 3.28Å; Y585-M587 VanDerWaalsContact C-N 3.28Å; Y585-M587 PolarHBondContact O-N 2.99Å
586	R	92	Very high	92.6	Very high	91 Å²	91	64.9 Å²	64.9	34%	0.343	32%	0.323	S	S	.	.	H	α-helix	trans	-63.5	-28.6	-179.5	-77.3	171	177.9	-176.5	-0.2	113.5	I582 W583 R632	I582-R586 HydrophobicContact CG2-CG 4.48Å; I582-R586 VanDerWaalsContact CG2-CZ 3.46Å; I582-R586 WeakPolarHBondContact O-CB 3.39Å; I582-R586 WeakPolarHBondContact O-CG 3.43Å; I582-R586 PolarHBondContact O-N 2.79Å; W583-R586 PolarHBondContact O-N 3.02Å; R586-R632 PolarHBondContact O-NE 2.89Å; R586-R632 PolarHBondContact O-NH2 3.08Å
587	M	91.2	Very high	92.5	Very high	4 Å²	4	64.5 Å²	64.5	2%	0.02	32%	0.321	C	S	.	.	H	α-helix	trans	-114.4	-34.4	-172.1	-64.5	-84.6	66.6	0	0	115.7	V475 F479 W583 F584 Y585 R593 V628 F629	V475-M587 HydrophobicContact CG2-SD 4.39Å; F479-M587 HydrophobicContact CE2-CB 3.89Å; F479-M587 HydrophobicContact CE2-CG 4.42Å; F479-M587 HydrophobicContact CZ-CB 3.9Å; F479-M587 HydrophobicContact CZ-CG 4.33Å; W583-M587 HydrophobicContact CE3-CG 4.12Å; W583-M587 WeakPolarHBondContact O-CB 3.5Å; W583-M587 PolarHBondContact O-N 3.02Å; F584-M587 PolarHBondContact O-N 2.86Å; Y585-M587 VanDerWaalsContact C-N 3.28Å; Y585-M587 PolarHBondContact O-N 2.99Å; M587-R593 HydrophobicContact CE-CG 3.86Å; M587-R593 WeakPolarHBondContact O-CD 3.45Å; M587-R593 PolarHBondContact O-NH1 2.92Å; M587-V628 HydrophobicContact CE-CB 4.44Å; M587-V628 HydrophobicContact CE-CG1 3.92Å; M587-F629 HydrophobicContact CG-CD2 4.4Å; M587-F629 HydrophobicContact SD-CB 3.68Å; M587-F629 HydrophobicContact SD-CD2 3.59Å; M587-F629 VanDerWaalsContact SD-CD2 3.59Å; M587-F629 HydrophobicContact SD-CG 4.12Å
588	G	83.4	Confident	92.4	Very high	46 Å²	46	64.2 Å²	64.2	47%	0.474	31%	0.314	S	S	.	.	H	α-helix	trans	-63	-48.7	-172.1	0	0	0	0	0	113	F584 S590 R593	F584-G588 PolarHBondContact O-N 3.47Å; G588-S590 PolarHBondContact O-N 3.33Å; G588-R593 PolarHBondContact O-NH1 3.21Å
589	S	85.6	Confident	92.2	Very high	50 Å²	50	66 Å²	66	35%	0.35	32%	0.315	S	S	.	.			trans	-77.8	121.5	-179.2	176	0	0	0	0	112.6	K591 C592 R593	S589-K591 PolarHBondContact O-N 3.49Å; S589-K591 PolarHBondContact OG-N 2.98Å; S589-C592 PolarHBondContact O-N 3.45Å; S589-C592 VanDerWaalsContact O-N 3.08Å; S589-C592 PolarHBondContact OG-N 2.88Å; S589-R593 PolarHBondContact O-N 3.4Å; S589-R593 VanDerWaalsContact O-N 3.07Å
590	S	88.4	Confident	92.1	Very high	47 Å²	47	66.6 Å²	66.6	33%	0.329	32%	0.316	S	S	.	.	H	α-helix	trans	-53.7	-39.1	169	-60.4	0	0	0	0	111.6	G588 C592 R593 I594	G588-S590 PolarHBondContact O-N 3.33Å; S590-C592 VanDerWaalsContact C-N 3.32Å; S590-C592 PolarHBondContact O-N 3.32Å; S590-R593 PolarHBondContact O-N 3.43Å; S590-R593 PolarHBondContact OG-NH2 3.41Å; S590-I594 WeakPolarHBondContact O-CD1 3.47Å; S590-I594 VanDerWaalsContact O-CG1 3.22Å; S590-I594 WeakPolarHBondContact O-CG1 3.2Å; S590-I594 PolarHBondContact O-N 3Å
591	K	90.9	Very high	91.9	Very high	179 Å²	179	64.3 Å²	64.3	78%	0.778	31%	0.306	S	S	*	.	H	α-helix	trans	-59.3	-42.6	177.5	-59.3	-177.7	-179.7	-179.7	0	111.3	S589 I594 K595	S589-K591 PolarHBondContact O-N 3.49Å; S589-K591 PolarHBondContact OG-N 2.98Å; K591-I594 PolarHBondContact O-N 2.99Å; K591-K595 WeakPolarHBondContact O-CB 3.28Å; K591-K595 PolarHBondContact O-N 2.73Å
592	C	92	Very high	91.7	Very high	24 Å²	24	64.3 Å²	64.3	16%	0.162	30%	0.302	C	S	.	.	H	α-helix	trans	-69.2	-37.7	177.1	-62.3	0	0	0	0	112.7	S589 S590 F596	S589-C592 PolarHBondContact O-N 3.45Å; S589-C592 VanDerWaalsContact O-N 3.08Å; S589-C592 PolarHBondContact OG-N 2.88Å; S590-C592 VanDerWaalsContact C-N 3.32Å; S590-C592 PolarHBondContact O-N 3.32Å; C592-F596 WeakPolarHBondContact O-CB 3.26Å; C592-F596 PolarHBondContact O-N 3.12Å; C592-F596 VanDerWaalsContact O-N 3.11Å
593	R	93.8	Very high	91.6	Very high	34 Å²	34	65.3 Å²	65.3	13%	0.128	31%	0.307	C	S	.	.	H	α-helix	trans	-62.3	-45.1	173.6	-65.8	-163.7	-58.4	-97.2	1.2	111.7	M587 G588 S589 S590 F596 I597 V619 V628	M587-R593 HydrophobicContact CE-CG 3.86Å; M587-R593 WeakPolarHBondContact O-CD 3.45Å; M587-R593 PolarHBondContact O-NH1 2.92Å; G588-R593 PolarHBondContact O-NH1 3.21Å; S589-R593 PolarHBondContact O-N 3.4Å; S589-R593 VanDerWaalsContact O-N 3.07Å; S590-R593 PolarHBondContact O-N 3.43Å; S590-R593 PolarHBondContact OG-NH2 3.41Å; R593-F596 PolarHBondContact O-N 3.03Å; R593-I597 PolarHBondContact O-N 3.26Å; R593-V619 HydrophobicContact CB-CG1 4.42Å; R593-V628 HydrophobicContact CB-CG1 4.08Å; R593-V628 HydrophobicContact CG-CG1 4.25Å
594	I	93.2	Very high	91.3	Very high	12 Å²	12	67.8 Å²	67.8	6%	0.062	32%	0.32	C	S	.	.	H	α-helix	trans	-71.8	-40.2	-179.5	-58.5	157	0	0	0	111.1	S590 K591 F596 I597 R598 V619 E620	S590-I594 WeakPolarHBondContact O-CD1 3.47Å; S590-I594 VanDerWaalsContact O-CG1 3.22Å; S590-I594 WeakPolarHBondContact O-CG1 3.2Å; S590-I594 PolarHBondContact O-N 3Å; K591-I594 PolarHBondContact O-N 2.99Å; I594-F596 VanDerWaalsContact C-N 3.3Å; I594-F596 PolarHBondContact O-N 3.01Å; I594-I597 PolarHBondContact O-N 3.48Å; I594-R598 HydrophobicContact CG2-CG 4.3Å; I594-R598 WeakPolarHBondContact O-CB 3.31Å; I594-R598 VanDerWaalsContact O-CG 3.3Å; I594-R598 WeakPolarHBondContact O-CG 3.47Å; I594-R598 PolarHBondContact O-N 3.11Å; I594-V619 HydrophobicContact CG1-CB 4Å; I594-V619 HydrophobicContact CG1-CG1 3.68Å; I594-V619 HydrophobicContact CG1-CG2 4.44Å; I594-E620 HydrophobicContact CD1-CG 4.22Å
595	K	93	Very high	90.9	Very high	169 Å²	169	67 Å²	67	74%	0.735	33%	0.33	S	S	*	.	H	α-helix	trans	-59.7	-39.6	174.7	-175.1	173.9	178	177.2	0	111.7	K591 R598 K599	K591-K595 WeakPolarHBondContact O-CB 3.28Å; K591-K595 PolarHBondContact O-N 2.73Å; K595-R598 PolarHBondContact O-N 3.44Å; K595-K599 PolarHBondContact O-N 2.88Å
596	F	93.9	Very high	90.4	Very high	28 Å²	28	60.9 Å²	60.9	12%	0.123	31%	0.309	C	S	.	.	H	α-helix	trans	-61.8	-54.2	176.5	175.1	-103.6	0	0	0	112.5	C592 R593 I594 R598 K599 Y600 V628 I631 R632	C592-F596 WeakPolarHBondContact O-CB 3.26Å; C592-F596 PolarHBondContact O-N 3.12Å; C592-F596 VanDerWaalsContact O-N 3.11Å; R593-F596 PolarHBondContact O-N 3.03Å; I594-F596 VanDerWaalsContact C-N 3.3Å; I594-F596 PolarHBondContact O-N 3.01Å; F596-R598 VanDerWaalsContact C-N 3.25Å; F596-R598 PolarHBondContact O-N 3.42Å; F596-K599 WeakPolarHBondContact O-CB 3.22Å; F596-K599 PolarHBondContact O-N 2.91Å; F596-Y600 HydrophobicContact CD1-CE2 4.23Å; F596-Y600 AromaticContact CD2-CE2 3.81Å; F596-Y600 HydrophobicContact CD2-CE2 3.81Å; F596-Y600 AromaticContact CE1-CE2 3.82Å; F596-Y600 HydrophobicContact CE1-CE2 3.82Å; F596-Y600 AromaticContact CE2-CE2 3.41Å; F596-Y600 HydrophobicContact CE2-CE2 3.41Å; F596-Y600 VanDerWaalsContact CE2-CE2 3.41Å; F596-Y600 AromaticContact CE2-CZ 3.77Å; F596-Y600 WeakPolarHBondContact CE2-OH 3.43Å; F596-Y600 HydrophobicContact CG-CE2 4.23Å; F596-Y600 HydrophobicContact CZ-CD2 4.49Å; F596-Y600 AromaticContact CZ-CE2 3.39Å; F596-Y600 HydrophobicContact CZ-CE2 3.39Å; F596-Y600 AromaticContact CZ-CZ 3.8Å; F596-Y600 WeakPolarHBondContact CZ-OH 3.26Å; F596-Y600 WeakPolarHBondContact O-CD2 3.37Å; F596-V628 HydrophobicContact CD1-CG1 4.24Å; F596-I631 HydrophobicContact CE1-CG2 4.12Å; F596-R632 HydrophobicContact CD1-CG 3.93Å; F596-R632 HydrophobicContact CE1-CB 4.37Å; F596-R632 HydrophobicContact CE1-CG 3.38Å; F596-R632 HydrophobicContact CE2-CG 4.01Å; F596-R632 VanDerWaalsContact CE2-NH1 3.3Å; F596-R632 HydrophobicContact CG-CG 4.47Å; F596-R632 HydrophobicContact CZ-CB 4.23Å; F596-R632 HydrophobicContact CZ-CG 3.43Å; F596-R632 VanDerWaalsContact CZ-CG 3.43Å
597	I	94.5	Very high	89.7	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.2	-32.8	178	-62.3	-61.8	0	0	0	111.8	R593 I594 K599 L601 F618 V619 L623 V628 I631 T647	R593-I597 PolarHBondContact O-N 3.26Å; I594-I597 PolarHBondContact O-N 3.48Å; I597-K599 PolarHBondContact O-N 3Å; I597-L601 HydrophobicContact CG2-CD1 3.88Å; I597-L601 PolarHBondContact O-N 3.35Å; I597-F618 HydrophobicContact CG2-CD1 4.21Å; I597-F618 HydrophobicContact CG2-CE1 3.93Å; I597-V619 HydrophobicContact CB-CG2 3.78Å; I597-V619 HydrophobicContact CG1-CG2 4.01Å; I597-V619 HydrophobicContact CG2-CG2 3.74Å; I597-L623 HydrophobicContact CD1-CD2 3.92Å; I597-L623 HydrophobicContact CG1-CD2 4.21Å; I597-V628 HydrophobicContact CD1-CG1 4.37Å; I597-V628 HydrophobicContact CG1-CG1 4.24Å; I597-V628 HydrophobicContact CG1-CG2 4.25Å; I597-I631 HydrophobicContact CD1-CD1 4.19Å; I597-I631 HydrophobicContact CD1-CG2 4.34Å; I597-T647 HydrophobicContact CD1-CG2 4.29Å; I597-T647 HydrophobicContact CG2-CG2 3.9Å
598	R	93.3	Very high	89.1	Confident	79 Å²	79	62.3 Å²	62.3	30%	0.298	32%	0.315	S	S	.	.	H	α-helix	trans	-65.9	-27.9	171.6	-76	176.1	179.6	152.5	3.3	113.9	I594 K595 F596 K602 M607 K612 T615	I594-R598 HydrophobicContact CG2-CG 4.3Å; I594-R598 WeakPolarHBondContact O-CB 3.31Å; I594-R598 VanDerWaalsContact O-CG 3.3Å; I594-R598 WeakPolarHBondContact O-CG 3.47Å; I594-R598 PolarHBondContact O-N 3.11Å; K595-R598 PolarHBondContact O-N 3.44Å; F596-R598 VanDerWaalsContact C-N 3.25Å; F596-R598 PolarHBondContact O-N 3.42Å; R598-K602 WeakPolarHBondContact O-CB 3.38Å; R598-K602 PolarHBondContact O-N 2.94Å; R598-K602 VanDerWaalsContact O-N 3.16Å; R598-M607 HydrophobicContact CG-CE 3.97Å; R598-M607 HydrophobicContact CG-SD 4.21Å; R598-K612 PolarHBondContact NH2-O 2.83Å; R598-T615 HydrophobicContact CG-CG2 3.78Å
599	K	92.5	Very high	88.7	Confident	96 Å²	96	64 Å²	64	42%	0.417	31%	0.313	S	S	.	.	H	α-helix	trans	-61.4	-58.5	175.1	-175.1	177.8	178	-178.2	0	109.6	K595 F596 I597 L601 K602 I603 V762	K595-K599 PolarHBondContact O-N 2.88Å; F596-K599 WeakPolarHBondContact O-CB 3.22Å; F596-K599 PolarHBondContact O-N 2.91Å; I597-K599 PolarHBondContact O-N 3Å; K599-L601 PolarHBondContact O-N 3.45Å; K599-K602 PolarHBondContact O-N 3.01Å; K599-I603 HydrophobicContact CD-CD1 4.15Å; K599-I603 VanDerWaalsContact CE-CD1 3.44Å; K599-I603 HydrophobicContact CG-CD1 3.62Å; K599-I603 HydrophobicContact CG-CG1 4.4Å; K599-I603 WeakPolarHBondContact O-CG1 3.33Å; K599-I603 PolarHBondContact O-N 3.43Å; K599-V762 WeakPolarHBondContact CE-OXT 3.28Å; K599-V762 VanDerWaalsContact NZ-C 3.31Å; K599-V762 PolarHBondContact NZ-O 3.46Å; K599-V762 VanDerWaalsContact NZ-O 3.07Å; K599-V762 PolarHBondContact NZ-OXT 3.1Å
600	Y	92.9	Very high	88.2	Confident	21 Å²	21	67.3 Å²	67.3	8%	0.082	33%	0.332	C	S	.	.	H	α-helix	trans	-60.7	-47.5	-178.4	-57.8	-86.1	0	0	0	113	F596 K602 I603 M604 S635 D640 A643	F596-Y600 HydrophobicContact CD1-CE2 4.23Å; F596-Y600 AromaticContact CD2-CE2 3.81Å; F596-Y600 HydrophobicContact CD2-CE2 3.81Å; F596-Y600 AromaticContact CE1-CE2 3.82Å; F596-Y600 HydrophobicContact CE1-CE2 3.82Å; F596-Y600 AromaticContact CE2-CE2 3.41Å; F596-Y600 HydrophobicContact CE2-CE2 3.41Å; F596-Y600 VanDerWaalsContact CE2-CE2 3.41Å; F596-Y600 AromaticContact CE2-CZ 3.77Å; F596-Y600 WeakPolarHBondContact CE2-OH 3.43Å; F596-Y600 HydrophobicContact CG-CE2 4.23Å; F596-Y600 HydrophobicContact CZ-CD2 4.49Å; F596-Y600 AromaticContact CZ-CE2 3.39Å; F596-Y600 HydrophobicContact CZ-CE2 3.39Å; F596-Y600 AromaticContact CZ-CZ 3.8Å; F596-Y600 WeakPolarHBondContact CZ-OH 3.26Å; F596-Y600 WeakPolarHBondContact O-CD2 3.37Å; Y600-K602 PolarHBondContact O-N 3.17Å; Y600-I603 PolarHBondContact O-N 2.99Å; Y600-I603 VanDerWaalsContact O-N 3.16Å; Y600-M604 WeakPolarHBondContact O-CB 3.33Å; Y600-M604 VanDerWaalsContact O-CG 3.25Å; Y600-M604 WeakPolarHBondContact O-CG 3.42Å; Y600-M604 PolarHBondContact O-N 3.4Å; Y600-S635 PolarHBondContact OH-OG 3.18Å; Y600-D640 HydrophobicContact CE1-CB 4Å; Y600-D640 WeakPolarHBondContact CE1-O 3.4Å; Y600-D640 WeakPolarHBondContact CE1-OD1 3.43Å; Y600-D640 PolarHBondContact OH-OD1 3.32Å; Y600-A643 HydrophobicContact CE1-CB 4.21Å
601	L	92.3	Very high	87.9	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-67.6	-19.9	-177.9	-71.6	176.6	0	0	0	113.9	I597 K599 V606 M607 F618 T647 W651	I597-L601 HydrophobicContact CG2-CD1 3.88Å; I597-L601 PolarHBondContact O-N 3.35Å; K599-L601 PolarHBondContact O-N 3.45Å; L601-V606 PolarHBondContact O-N 3.04Å; L601-M607 HydrophobicContact CB-CB 4.22Å; L601-M607 HydrophobicContact CB-CE 3.46Å; L601-M607 VanDerWaalsContact CB-CE 3.46Å; L601-M607 HydrophobicContact CD1-CE 3.73Å; L601-M607 HydrophobicContact CG-CE 4.26Å; L601-M607 PolarHBondContact O-N 3.33Å; L601-M607 VanDerWaalsContact O-N 3.1Å; L601-F618 HydrophobicContact CD1-CE1 4.28Å; L601-T647 HydrophobicContact CD1-CG2 4.25Å; L601-T647 HydrophobicContact CD2-CG2 3.98Å; L601-T647 HydrophobicContact CG-CG2 3.81Å; L601-W651 HydrophobicContact CD1-CB 4.24Å; L601-W651 HydrophobicContact CD1-CD2 4.15Å; L601-W651 HydrophobicContact CD1-CE3 4.29Å; L601-W651 HydrophobicContact CD1-CG 4.14Å; L601-W651 HydrophobicContact CD2-CB 3.73Å; L601-W651 HydrophobicContact CD2-CG 3.92Å
602	K	91.2	Very high	87.7	Confident	99 Å²	99	62.4 Å²	62.4	43%	0.43	31%	0.305	S	S	.	.	H	α-helix	trans	-81.8	-44.6	167.1	-80.1	-164.5	172.4	-123.6	0	112.3	R598 K599 Y600 M604 S605 D609	R598-K602 WeakPolarHBondContact O-CB 3.38Å; R598-K602 PolarHBondContact O-N 2.94Å; R598-K602 VanDerWaalsContact O-N 3.16Å; K599-K602 PolarHBondContact O-N 3.01Å; Y600-K602 PolarHBondContact O-N 3.17Å; K602-M604 VanDerWaalsContact C-N 3.3Å; K602-M604 PolarHBondContact O-N 3.04Å; K602-S605 WeakPolarHBondContact O-CA 3.21Å; K602-S605 PolarHBondContact O-N 3.43Å; K602-D609 IonicContact NZ-OD1 2.76Å; K602-D609 PolarHBondContact NZ-OD1 3.14Å; K602-D609 IonicContact NZ-OD2 3.32Å; K602-D609 PolarHBondContact NZ-OD2 2.93Å
603	I	90.5	Very high	87.6	Confident	101 Å²	101	64.7 Å²	64.7	52%	0.518	33%	0.326	S	S	.	.	H	α-helix	trans	-62	-38.2	178.7	-67.5	175	0	0	0	111.5	K599 Y600 S605	K599-I603 HydrophobicContact CD-CD1 4.15Å; K599-I603 VanDerWaalsContact CE-CD1 3.44Å; K599-I603 HydrophobicContact CG-CD1 3.62Å; K599-I603 HydrophobicContact CG-CG1 4.4Å; K599-I603 WeakPolarHBondContact O-CG1 3.33Å; K599-I603 PolarHBondContact O-N 3.43Å; Y600-I603 PolarHBondContact O-N 2.99Å; Y600-I603 VanDerWaalsContact O-N 3.16Å; I603-S605 PolarHBondContact O-N 2.82Å
604	M	87.5	Confident	87.4	Confident	53 Å²	53	63.4 Å²	63.4	26%	0.261	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	4.6	174.2	-59.6	-70.7	93.6	0	0	113.5	Y600 K602 V606	Y600-M604 WeakPolarHBondContact O-CB 3.33Å; Y600-M604 VanDerWaalsContact O-CG 3.25Å; Y600-M604 WeakPolarHBondContact O-CG 3.42Å; Y600-M604 PolarHBondContact O-N 3.4Å; K602-M604 VanDerWaalsContact C-N 3.3Å; K602-M604 PolarHBondContact O-N 3.04Å; M604-V606 HydrophobicContact CB-CG2 4.34Å; M604-V606 VanDerWaalsContact O-CG2 3.25Å; M604-V606 WeakPolarHBondContact O-CG2 3.36Å; M604-V606 PolarHBondContact O-N 3.34Å; M604-V606 VanDerWaalsContact O-N 3.08Å
605	S	84.5	Confident	87.3	Confident	110 Å²	110	62.8 Å²	62.8	77%	0.769	32%	0.319	S	S	*	.	S	Bend	trans	61.7	5.4	179.4	74.6	0	0	0	0	117.7	K602 I603	K602-S605 WeakPolarHBondContact O-CA 3.21Å; K602-S605 PolarHBondContact O-N 3.43Å; I603-S605 PolarHBondContact O-N 2.82Å
606	V	81.7	Confident	87.2	Confident	36 Å²	36	56.1 Å²	56.1	22%	0.218	29%	0.294	C	S	.	.			trans	-83.2	-18.9	-172.2	-173.8	0	0	0	0	114	L601 M604 C648	L601-V606 PolarHBondContact O-N 3.04Å; M604-V606 HydrophobicContact CB-CG2 4.34Å; M604-V606 VanDerWaalsContact O-CG2 3.25Å; M604-V606 WeakPolarHBondContact O-CG2 3.36Å; M604-V606 PolarHBondContact O-N 3.34Å; M604-V606 VanDerWaalsContact O-N 3.08Å; V606-C648 VanDerWaalsContact CG2-SG 3.55Å
607	M	78.7	Confident	87.1	Confident	13 Å²	13	60.2 Å²	60.2	6%	0.064	31%	0.312	C	S	.	.			trans	-97.7	118.1	177.7	-174.2	-175.3	-48.6	0	0	112.7	R598 L601 D611 T615	R598-M607 HydrophobicContact CG-CE 3.97Å; R598-M607 HydrophobicContact CG-SD 4.21Å; L601-M607 HydrophobicContact CB-CB 4.22Å; L601-M607 HydrophobicContact CB-CE 3.46Å; L601-M607 VanDerWaalsContact CB-CE 3.46Å; L601-M607 HydrophobicContact CD1-CE 3.73Å; L601-M607 HydrophobicContact CG-CE 4.26Å; L601-M607 PolarHBondContact O-N 3.33Å; L601-M607 VanDerWaalsContact O-N 3.1Å; M607-D611 HydrophobicContact CG-CB 4.05Å; M607-T615 HydrophobicContact CE-CG2 3.62Å; M607-T615 VanDerWaalsContact CE-OG1 3.27Å; M607-T615 WeakPolarHBondContact CE-OG1 3.46Å; M607-T615 HydrophobicContact SD-CG2 4.48Å
608	R	77	Confident	87	Confident	112 Å²	112	60.2 Å²	60.2	42%	0.423	31%	0.312	S	S	.	.			trans	-79.1	150.8	163.7	-54.4	-180	-166.7	139.2	-1.5	109.8	T610 D611 T709	R608-T610 PolarHBondContact O-N 3.27Å; R608-D611 WeakPolarHBondContact O-CB 3.12Å; R608-D611 PolarHBondContact O-N 3.39Å; R608-T709 PolarHBondContact NH1-OG1 3.06Å; R608-T709 VanDerWaalsContact NH1-OG1 3.15Å
609	D	76.4	Confident	87	Confident	81 Å²	81	56.5 Å²	56.5	43%	0.433	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-65.9	-11.2	-177.7	-89.7	-83.8	0	0	0	115.1	K602 K612	K602-D609 IonicContact NZ-OD1 2.76Å; K602-D609 PolarHBondContact NZ-OD1 3.14Å; K602-D609 IonicContact NZ-OD2 3.32Å; K602-D609 PolarHBondContact NZ-OD2 2.93Å; D609-K612 WeakPolarHBondContact O-CD 3.49Å; D609-K612 VanDerWaalsContact O-CE 3.27Å; D609-K612 WeakPolarHBondContact O-CE 3.38Å; D609-K612 VanDerWaalsContact O-CG 3.28Å; D609-K612 WeakPolarHBondContact O-CG 3.46Å; D609-K612 WeakPolarHBondContact OD1-CE 3.16Å; D609-K612 IonicContact OD1-NZ 3.42Å; D609-K612 PolarHBondContact OD1-NZ 3.5Å
610	T	73.9	Confident	86.8	Confident	120 Å²	120	55.7 Å²	55.7	74%	0.736	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-71.7	-27	168.2	50.8	0	0	0	0	113.2	R608 K612	R608-T610 PolarHBondContact O-N 3.27Å; T610-K612 PolarHBondContact O-N 3.37Å; T610-K612 VanDerWaalsContact O-N 3.1Å
611	D	82.5	Confident	86.5	Confident	16 Å²	16	59 Å²	59	9%	0.086	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-77.2	8.7	-177	-85.3	-65	0	0	0	114.2	M607 R608 A613 A614 T615 W651 R655	M607-D611 HydrophobicContact CG-CB 4.05Å; R608-D611 WeakPolarHBondContact O-CB 3.12Å; R608-D611 PolarHBondContact O-N 3.39Å; D611-A613 VanDerWaalsContact C-N 3.33Å; D611-A613 PolarHBondContact O-N 2.76Å; D611-A614 HydrophobicContact CB-CB 4.49Å; D611-A614 PolarHBondContact O-N 3.15Å; D611-T615 WeakPolarHBondContact O-CB 3.37Å; D611-T615 PolarHBondContact O-N 3.11Å; D611-T615 PolarHBondContact O-OG1 3.38Å; D611-W651 HydrophobicContact CB-CH2 4.28Å; D611-W651 HydrophobicContact CB-CZ2 4.08Å; D611-R655 IonicContact OD1-NH1 2.93Å; D611-R655 PolarHBondContact OD1-NH1 2.86Å; D611-R655 IonicContact OD2-CZ 3.32Å; D611-R655 IonicContact OD2-NH1 3.67Å; D611-R655 PolarHBondContact OD2-NH1 2.87Å
612	K	87.4	Confident	86.4	Confident	106 Å²	106	60.5 Å²	60.5	46%	0.461	32%	0.321	S	S	.	.	H	α-helix	trans	-52.3	-46.2	-178.9	-78	165.7	-174	154.9	0	112.9	R598 D609 T610 S616	R598-K612 PolarHBondContact NH2-O 2.83Å; D609-K612 WeakPolarHBondContact O-CD 3.49Å; D609-K612 VanDerWaalsContact O-CE 3.27Å; D609-K612 WeakPolarHBondContact O-CE 3.38Å; D609-K612 VanDerWaalsContact O-CG 3.28Å; D609-K612 WeakPolarHBondContact O-CG 3.46Å; D609-K612 WeakPolarHBondContact OD1-CE 3.16Å; D609-K612 IonicContact OD1-NZ 3.42Å; D609-K612 PolarHBondContact OD1-NZ 3.5Å; T610-K612 PolarHBondContact O-N 3.37Å; T610-K612 VanDerWaalsContact O-N 3.1Å; K612-S616 PolarHBondContact O-N 3.42Å
613	A	88.3	Confident	86.3	Confident	72 Å²	72	55.9 Å²	55.9	60%	0.595	30%	0.301	S	S	*	.	H	α-helix	trans	-73	-41.1	179.1	0	0	0	0	0	112.5	D611 T615 S616 K617	D611-A613 VanDerWaalsContact C-N 3.33Å; D611-A613 PolarHBondContact O-N 2.76Å; A613-T615 PolarHBondContact O-N 3.38Å; A613-S616 PolarHBondContact O-N 3.34Å; A613-K617 PolarHBondContact O-N 3.16Å
614	A	89.7	Confident	86.3	Confident	7 Å²	7	52.3 Å²	52.3	6%	0.058	28%	0.281	C	S	.	.	H	α-helix	trans	-59.7	-37.3	175.2	0	0	0	0	0	111.9	D611 K617 F618 W651 Y654	D611-A614 HydrophobicContact CB-CB 4.49Å; D611-A614 PolarHBondContact O-N 3.15Å; A614-K617 PolarHBondContact O-N 3.33Å; A614-F618 PolarHBondContact O-N 3.28Å; A614-W651 HydrophobicContact CB-CH2 3.92Å; A614-Y654 PolarHBondContact O-OH 2.81Å
615	T	91.5	Very high	86.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-66.7	-38.9	175.5	-53.2	0	0	0	0	112.8	R598 M607 D611 A613 F618 V619	R598-T615 HydrophobicContact CG-CG2 3.78Å; M607-T615 HydrophobicContact CE-CG2 3.62Å; M607-T615 VanDerWaalsContact CE-OG1 3.27Å; M607-T615 WeakPolarHBondContact CE-OG1 3.46Å; M607-T615 HydrophobicContact SD-CG2 4.48Å; D611-T615 WeakPolarHBondContact O-CB 3.37Å; D611-T615 PolarHBondContact O-N 3.11Å; D611-T615 PolarHBondContact O-OG1 3.38Å; A613-T615 PolarHBondContact O-N 3.38Å; T615-F618 WeakPolarHBondContact O-CB 3.46Å; T615-F618 PolarHBondContact O-N 3.16Å; T615-V619 HydrophobicContact CG2-CG2 4.42Å; T615-V619 WeakPolarHBondContact O-CG2 3.4Å; T615-V619 PolarHBondContact O-N 2.92Å
616	S	92	Very high	86.7	Confident	28 Å²	28	45.2 Å²	45.2	20%	0.196	24%	0.236	C	C	.	.	H	α-helix	trans	-62.4	-48.3	175.2	-141	0	0	0	0	110	K612 A613 F618 V619 E620	K612-S616 PolarHBondContact O-N 3.42Å; A613-S616 PolarHBondContact O-N 3.34Å; S616-F618 VanDerWaalsContact C-N 3.29Å; S616-F618 PolarHBondContact O-N 3.29Å; S616-V619 PolarHBondContact O-N 3.33Å; S616-E620 WeakPolarHBondContact CB-OE2 3.27Å; S616-E620 WeakPolarHBondContact O-CB 3.22Å; S616-E620 WeakPolarHBondContact O-CG 3.31Å; S616-E620 PolarHBondContact O-N 3.01Å; S616-E620 PolarHBondContact OG-OE2 3.12Å
617	K	90.8	Very high	87.2	Confident	114 Å²	114	43.5 Å²	43.5	50%	0.496	23%	0.226	S	C	.	.	H	α-helix	trans	-57.8	-38.7	175.6	-67.5	-176.7	177.2	-176	0	112.4	A613 A614 N621 Y654	A613-K617 PolarHBondContact O-N 3.16Å; A614-K617 PolarHBondContact O-N 3.33Å; K617-N621 WeakPolarHBondContact O-CB 3.42Å; K617-N621 PolarHBondContact O-N 2.91Å; K617-Y654 WeakPolarHBondContact CB-OH 3.32Å
618	F	92.4	Very high	88	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.222	C	C	.	.	I	π-helix	trans	-61.3	-53.8	173.2	172.8	-116.3	0	0	0	112.6	I597 L601 A614 T615 S616 E620 Y622 L623 L650 W651 Y654	I597-F618 HydrophobicContact CG2-CD1 4.21Å; I597-F618 HydrophobicContact CG2-CE1 3.93Å; L601-F618 HydrophobicContact CD1-CE1 4.28Å; A614-F618 PolarHBondContact O-N 3.28Å; T615-F618 WeakPolarHBondContact O-CB 3.46Å; T615-F618 PolarHBondContact O-N 3.16Å; S616-F618 VanDerWaalsContact C-N 3.29Å; S616-F618 PolarHBondContact O-N 3.29Å; F618-E620 VanDerWaalsContact C-N 3.35Å; F618-E620 PolarHBondContact O-N 2.96Å; F618-Y622 AromaticContact CD2-CD1 3.53Å; F618-Y622 HydrophobicContact CD2-CD1 3.53Å; F618-Y622 HydrophobicContact CD2-CE1 4.19Å; F618-Y622 HydrophobicContact CD2-CG 4.21Å; F618-Y622 AromaticContact CE2-CD1 3.42Å; F618-Y622 HydrophobicContact CE2-CD1 3.42Å; F618-Y622 VanDerWaalsContact CE2-CD1 3.42Å; F618-Y622 AromaticContact CE2-CE1 3.65Å; F618-Y622 HydrophobicContact CE2-CE1 3.65Å; F618-Y622 HydrophobicContact CE2-CG 4.48Å; F618-Y622 WeakPolarHBondContact O-CB 3.42Å; F618-Y622 PolarHBondContact O-N 3.3Å; F618-L623 HydrophobicContact CE1-CD2 4.5Å; F618-L623 PolarHBondContact O-N 2.77Å; F618-L650 HydrophobicContact CE2-CB 4.49Å; F618-L650 WeakPolarHBondContact CE2-O 3.03Å; F618-L650 HydrophobicContact CZ-CB 4.13Å; F618-W651 HydrophobicContact CB-CE3 3.97Å; F618-W651 HydrophobicContact CB-CZ3 3.74Å; F618-W651 AromaticContact CD1-CE3 3.81Å; F618-W651 HydrophobicContact CD1-CE3 3.81Å; F618-W651 HydrophobicContact CD1-CZ3 4.3Å; F618-W651 HydrophobicContact CD2-CE3 4.08Å; F618-W651 HydrophobicContact CE1-CB 4.41Å; F618-W651 HydrophobicContact CE1-CE3 4.24Å; F618-W651 HydrophobicContact CE2-CE3 4.47Å; F618-W651 AromaticContact CG-CE3 3.71Å; F618-W651 HydrophobicContact CG-CE3 3.71Å; F618-W651 HydrophobicContact CG-CZ3 4.04Å; F618-W651 HydrophobicContact CZ-CB 4.1Å; F618-Y654 HydrophobicContact CB-CD1 3.88Å; F618-Y654 HydrophobicContact CB-CE1 3.61Å; F618-Y654 HydrophobicContact CB-CG 4.43Å; F618-Y654 AromaticContact CD2-CD1 3.59Å; F618-Y654 HydrophobicContact CD2-CD1 3.59Å; F618-Y654 HydrophobicContact CD2-CD2 4.05Å; F618-Y654 HydrophobicContact CD2-CE1 4.2Å; F618-Y654 AromaticContact CD2-CG 3.49Å; F618-Y654 HydrophobicContact CD2-CG 3.49Å; F618-Y654 VanDerWaalsContact CD2-CG 3.49Å; F618-Y654 HydrophobicContact CE2-CD1 4.45Å; F618-Y654 HydrophobicContact CE2-CG 4.17Å; F618-Y654 HydrophobicContact CG-CD1 4.08Å; F618-Y654 HydrophobicContact CG-CE1 4.32Å; F618-Y654 HydrophobicContact CG-CG 4.38Å; F618-Y654 PolarHBondContact N-OH 2.91Å
619	V	92.7	Very high	88.8	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.012	20%	0.202	C	C	.	.	I	π-helix	trans	-65.1	-39.1	-177	175.3	0	0	0	0	111.7	R593 I594 I597 T615 S616 R624 V628	R593-V619 HydrophobicContact CB-CG1 4.42Å; I594-V619 HydrophobicContact CG1-CB 4Å; I594-V619 HydrophobicContact CG1-CG1 3.68Å; I594-V619 HydrophobicContact CG1-CG2 4.44Å; I597-V619 HydrophobicContact CB-CG2 3.78Å; I597-V619 HydrophobicContact CG1-CG2 4.01Å; I597-V619 HydrophobicContact CG2-CG2 3.74Å; T615-V619 HydrophobicContact CG2-CG2 4.42Å; T615-V619 WeakPolarHBondContact O-CG2 3.4Å; T615-V619 PolarHBondContact O-N 2.92Å; S616-V619 PolarHBondContact O-N 3.33Å; V619-R624 WeakPolarHBondContact O-CA 3.43Å; V619-R624 PolarHBondContact O-N 3.38Å; V619-V628 HydrophobicContact CG1-CG2 3.85Å
620	E	89.3	Confident	89.6	Confident	79 Å²	79	33.7 Å²	33.7	37%	0.369	18%	0.182	S	C	.	.	I	π-helix	trans	-90.8	-39.1	-169.5	-63.3	174.9	119.3	0	0	113.3	I594 S616 F618	I594-E620 HydrophobicContact CD1-CG 4.22Å; S616-E620 WeakPolarHBondContact CB-OE2 3.27Å; S616-E620 WeakPolarHBondContact O-CB 3.22Å; S616-E620 WeakPolarHBondContact O-CG 3.31Å; S616-E620 PolarHBondContact O-N 3.01Å; S616-E620 PolarHBondContact OG-OE2 3.12Å; F618-E620 VanDerWaalsContact C-N 3.35Å; F618-E620 PolarHBondContact O-N 2.96Å
621	N	86.1	Confident	90.6	Very high	91 Å²	91	28 Å²	28	49%	0.487	15%	0.147	S	C	.	.	I	π-helix	trans	-101.8	-36	-175.2	-68.3	-59.7	0	0	0	114.8	K617 R624	K617-N621 WeakPolarHBondContact O-CB 3.42Å; K617-N621 PolarHBondContact O-N 2.91Å; N621-R624 PolarHBondContact O-NE 3.05Å; N621-R624 PolarHBondContact O-NH2 3.34Å
622	Y	90	Very high	91.1	Very high	31 Å²	31	28.3 Å²	28.3	12%	0.122	15%	0.147	C	C	.	.	I	π-helix	trans	-89.2	-68.5	-179.5	177.1	-96	0	0	0	110.8	I236 F618 Y654	I236-Y622 WeakPolarHBondContact CG2-O 3.44Å; F618-Y622 AromaticContact CD2-CD1 3.53Å; F618-Y622 HydrophobicContact CD2-CD1 3.53Å; F618-Y622 HydrophobicContact CD2-CE1 4.19Å; F618-Y622 HydrophobicContact CD2-CG 4.21Å; F618-Y622 AromaticContact CE2-CD1 3.42Å; F618-Y622 HydrophobicContact CE2-CD1 3.42Å; F618-Y622 VanDerWaalsContact CE2-CD1 3.42Å; F618-Y622 AromaticContact CE2-CE1 3.65Å; F618-Y622 HydrophobicContact CE2-CE1 3.65Å; F618-Y622 HydrophobicContact CE2-CG 4.48Å; F618-Y622 WeakPolarHBondContact O-CB 3.42Å; F618-Y622 PolarHBondContact O-N 3.3Å; Y622-Y654 HydrophobicContact CD1-CD2 4.35Å; Y622-Y654 AromaticContact CD2-CD2 3.93Å; Y622-Y654 HydrophobicContact CD2-CD2 3.93Å; Y622-Y654 AromaticContact CG-CD2 3.79Å; Y622-Y654 HydrophobicContact CG-CD2 3.79Å; Y622-Y654 HydrophobicContact CG-CE2 4.48Å; Y622-Y654 HydrophobicContact CG-CG 4.45Å
623	L	90.7	Very high	91.4	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.01	13%	0.125	C	C	.	.	I	π-helix	trans	-70.6	-40	-172.5	-176.8	63.5	0	0	0	113.1	I236 I597 F618 G627 V628 I631 L650	I236-L623 HydrophobicContact CD1-CD1 4.34Å; I597-L623 HydrophobicContact CD1-CD2 3.92Å; I597-L623 HydrophobicContact CG1-CD2 4.21Å; F618-L623 HydrophobicContact CE1-CD2 4.5Å; F618-L623 PolarHBondContact O-N 2.77Å; L623-G627 VanDerWaalsContact O-CA 3.3Å; L623-G627 WeakPolarHBondContact O-CA 3.24Å; L623-G627 PolarHBondContact O-N 3.06Å; L623-V628 HydrophobicContact CD2-CB 4.48Å; L623-V628 HydrophobicContact CD2-CG2 3.62Å; L623-V628 HydrophobicContact CG-CG2 4.02Å; L623-I631 HydrophobicContact CD1-CD1 3.99Å; L623-I631 HydrophobicContact CD2-CD1 3.86Å; L623-L650 HydrophobicContact CD1-CD1 4.49Å
624	R	89.2	Confident	91.6	Very high	26 Å²	26	19.9 Å²	19.9	10%	0.098	10%	0.096	C	C	.	.	H	α-helix	trans	62.9	167.5	179.1	-62	175.1	178.1	-96.5	-16.7	114.3	Q470 V619 N621 D626 G627 V628	Q470-R624 PolarHBondContact O-NH1 3.44Å; V619-R624 WeakPolarHBondContact O-CA 3.43Å; V619-R624 PolarHBondContact O-N 3.38Å; N621-R624 PolarHBondContact O-NE 3.05Å; N621-R624 PolarHBondContact O-NH2 3.34Å; R624-D626 VanDerWaalsContact C-N 3.33Å; R624-D626 PolarHBondContact O-N 2.88Å; R624-G627 PolarHBondContact O-N 3.16Å; R624-G627 VanDerWaalsContact O-N 3.14Å; R624-V628 WeakPolarHBondContact O-CG2 3.48Å; R624-V628 PolarHBondContact O-N 2.84Å
625	P	90.8	Very high	91.8	Very high	14 Å²	14	20.4 Å²	20.4	9%	0.091	10%	0.1	C	C	.	.	H	α-helix	trans	-55.2	-41.7	178.7	-30.7	40.1	0	0	0	114.3	N472 V475 G627 V628 F629	N472-P625 VanDerWaalsContact OD1-CD 3.31Å; N472-P625 WeakPolarHBondContact OD1-CD 3.5Å; N472-P625 VanDerWaalsContact OD1-CG 3.23Å; N472-P625 WeakPolarHBondContact OD1-CG 3.42Å; V475-P625 HydrophobicContact CG2-CB 4.12Å; V475-P625 WeakPolarHBondContact CG2-O 3.47Å; P625-G627 VanDerWaalsContact C-N 3.33Å; P625-G627 PolarHBondContact O-N 3.34Å; P625-V628 PolarHBondContact O-N 3.37Å; P625-F629 WeakPolarHBondContact O-CB 3.4Å; P625-F629 PolarHBondContact O-N 3.41Å
626	D	90.8	Very high	91.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.7	-37.2	176.6	-74.1	-12.6	0	0	0	112.7	F201 G471 N472 F473 L474 V475 R624 L630	F201-D626 HydrophobicContact CE2-CB 4.11Å; G471-D626 VanDerWaalsContact O-CB 3.31Å; G471-D626 WeakPolarHBondContact O-CB 3.16Å; G471-D626 PolarHBondContact O-N 3.38Å; N472-D626 WeakPolarHBondContact CA-OD1 3.23Å; N472-D626 PolarHBondContact N-OD2 3.2Å; F473-D626 PolarHBondContact N-OD1 3.01Å; F473-D626 VanDerWaalsContact N-OD1 3.13Å; F473-D626 PolarHBondContact N-OD2 3.35Å; L474-D626 WeakPolarHBondContact CA-OD1 3.49Å; L474-D626 HydrophobicContact CB-CB 4.04Å; L474-D626 VanDerWaalsContact CB-CG 3.45Å; L474-D626 VanDerWaalsContact CB-OD1 3.29Å; L474-D626 WeakPolarHBondContact CB-OD1 3.39Å; L474-D626 PolarHBondContact N-OD1 2.9Å; L474-D626 PolarHBondContact N-OD2 2.83Å; V475-D626 PolarHBondContact N-OD1 3.4Å; R624-D626 VanDerWaalsContact C-N 3.33Å; R624-D626 PolarHBondContact O-N 2.88Å; D626-L630 PolarHBondContact O-N 3.06Å; D626-L630 VanDerWaalsContact O-N 3.09Å
627	G	92	Very high	91.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-73.8	-39.8	176.1	0	0	0	0	0	113.4	L623 R624 P625 F629 L630 I631	L623-G627 VanDerWaalsContact O-CA 3.3Å; L623-G627 WeakPolarHBondContact O-CA 3.24Å; L623-G627 PolarHBondContact O-N 3.06Å; R624-G627 PolarHBondContact O-N 3.16Å; R624-G627 VanDerWaalsContact O-N 3.14Å; P625-G627 VanDerWaalsContact C-N 3.33Å; P625-G627 PolarHBondContact O-N 3.34Å; G627-F629 VanDerWaalsContact C-N 3.31Å; G627-F629 PolarHBondContact O-N 3.37Å; G627-L630 PolarHBondContact O-N 2.9Å; G627-I631 WeakPolarHBondContact O-CG1 3.44Å; G627-I631 PolarHBondContact O-N 3.45Å; G627-I631 VanDerWaalsContact O-N 3.07Å
628	V	93.9	Very high	91.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64.1	-38.6	174.1	-178.2	0	0	0	0	110.8	M587 R593 F596 I597 V619 L623 R624 P625 I631 R632	M587-V628 HydrophobicContact CE-CB 4.44Å; M587-V628 HydrophobicContact CE-CG1 3.92Å; R593-V628 HydrophobicContact CB-CG1 4.08Å; R593-V628 HydrophobicContact CG-CG1 4.25Å; F596-V628 HydrophobicContact CD1-CG1 4.24Å; I597-V628 HydrophobicContact CD1-CG1 4.37Å; I597-V628 HydrophobicContact CG1-CG1 4.24Å; I597-V628 HydrophobicContact CG1-CG2 4.25Å; V619-V628 HydrophobicContact CG1-CG2 3.85Å; L623-V628 HydrophobicContact CD2-CB 4.48Å; L623-V628 HydrophobicContact CD2-CG2 3.62Å; L623-V628 HydrophobicContact CG-CG2 4.02Å; R624-V628 WeakPolarHBondContact O-CG2 3.48Å; R624-V628 PolarHBondContact O-N 2.84Å; P625-V628 PolarHBondContact O-N 3.37Å; V628-I631 PolarHBondContact O-N 3.08Å; V628-R632 PolarHBondContact O-N 3.11Å
629	F	94	Very high	91.4	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.8	-45.8	173.3	176.2	-87.2	0	0	0	111.7	W192 L474 V475 Y478 W583 M587 P625 G627 I631 R632 L633	W192-F629 HydrophobicContact CH2-CE1 4.26Å; W192-F629 HydrophobicContact CH2-CZ 4.38Å; L474-F629 HydrophobicContact CD2-CD1 3.36Å; L474-F629 HydrophobicContact CD2-CE1 3.31Å; L474-F629 HydrophobicContact CD2-CG 4.32Å; L474-F629 HydrophobicContact CD2-CZ 4.27Å; V475-F629 HydrophobicContact CG2-CB 3.61Å; V475-F629 HydrophobicContact CG2-CD2 4.32Å; V475-F629 HydrophobicContact CG2-CG 4.1Å; Y478-F629 HydrophobicContact CD1-CD2 4.46Å; Y478-F629 AromaticContact CD1-CE2 3.32Å; Y478-F629 HydrophobicContact CD1-CE2 3.32Å; Y478-F629 AromaticContact CD1-CZ 3.65Å; Y478-F629 HydrophobicContact CD1-CZ 3.65Å; Y478-F629 HydrophobicContact CD2-CE2 4.33Å; Y478-F629 AromaticContact CD2-CZ 3.78Å; Y478-F629 HydrophobicContact CD2-CZ 3.78Å; Y478-F629 AromaticContact CE1-CE2 3.64Å; Y478-F629 HydrophobicContact CE1-CE2 3.64Å; Y478-F629 AromaticContact CE1-CZ 3.92Å; Y478-F629 HydrophobicContact CE1-CZ 3.92Å; Y478-F629 HydrophobicContact CE2-CZ 4.08Å; Y478-F629 AromaticContact CG-CE2 3.67Å; Y478-F629 HydrophobicContact CG-CE2 3.67Å; Y478-F629 AromaticContact CG-CZ 3.53Å; Y478-F629 HydrophobicContact CG-CZ 3.53Å; W583-F629 HydrophobicContact CE3-CD2 4.35Å; W583-F629 AromaticContact CE3-CE2 3.97Å; W583-F629 HydrophobicContact CE3-CE2 3.97Å; W583-F629 HydrophobicContact CH2-CE2 4.02Å; W583-F629 AromaticContact CZ3-CD2 3.78Å; W583-F629 HydrophobicContact CZ3-CD2 3.78Å; W583-F629 AromaticContact CZ3-CE2 3.46Å; W583-F629 HydrophobicContact CZ3-CE2 3.46Å; W583-F629 VanDerWaalsContact CZ3-CE2 3.46Å; W583-F629 HydrophobicContact CZ3-CZ 4.36Å; M587-F629 HydrophobicContact CG-CD2 4.4Å; M587-F629 HydrophobicContact SD-CB 3.68Å; M587-F629 HydrophobicContact SD-CD2 3.59Å; M587-F629 VanDerWaalsContact SD-CD2 3.59Å; M587-F629 HydrophobicContact SD-CG 4.12Å; P625-F629 WeakPolarHBondContact O-CB 3.4Å; P625-F629 PolarHBondContact O-N 3.41Å; G627-F629 VanDerWaalsContact C-N 3.31Å; G627-F629 PolarHBondContact O-N 3.37Å; F629-I631 VanDerWaalsContact C-N 3.34Å; F629-I631 PolarHBondContact O-N 2.98Å; F629-R632 WeakPolarHBondContact O-CB 3.38Å; F629-R632 PolarHBondContact O-N 3.16Å; F629-R632 VanDerWaalsContact O-N 3.14Å; F629-L633 HydrophobicContact CE1-CB 4.34Å; F629-L633 HydrophobicContact CE1-CD2 3.77Å; F629-L633 HydrophobicContact CZ-CD2 4.28Å; F629-L633 WeakPolarHBondContact O-CB 3.4Å; F629-L633 PolarHBondContact O-N 2.8Å
630	L	93.4	Very high	91.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.9	-39.7	-179.7	-174.1	56.1	0	0	0	112.1	F201 V203 I206 M232 D626 G627 L633 I634	F201-L630 HydrophobicContact CD1-CD2 4.09Å; F201-L630 HydrophobicContact CE1-CD2 4.46Å; V203-L630 HydrophobicContact CG1-CD1 4.04Å; I206-L630 HydrophobicContact CD1-CD2 3.66Å; I206-L630 HydrophobicContact CG2-CD1 4.42Å; I206-L630 HydrophobicContact CG2-CD2 4.17Å; I206-L630 HydrophobicContact CG2-CG 4.43Å; M232-L630 HydrophobicContact CE-CD2 4.03Å; M232-L630 HydrophobicContact CE-CG 4.45Å; M232-L630 HydrophobicContact CG-CD2 4.37Å; M232-L630 HydrophobicContact SD-CD2 4.09Å; D626-L630 PolarHBondContact O-N 3.06Å; D626-L630 VanDerWaalsContact O-N 3.09Å; G627-L630 PolarHBondContact O-N 2.9Å; L630-L633 PolarHBondContact O-N 3.47Å; L630-I634 HydrophobicContact CG-CD1 4.33Å; L630-I634 VanDerWaalsContact O-CG1 3.3Å; L630-I634 WeakPolarHBondContact O-CG1 3.49Å; L630-I634 PolarHBondContact O-N 3.38Å
631	I	94.5	Very high	91.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.4	-39.8	173.4	-63.9	177.9	0	0	0	111.4	M232 F596 I597 L623 G627 V628 F629 L633 I634 S635 A643 T647 L650	M232-I631 HydrophobicContact CE-CG1 4.24Å; F596-I631 HydrophobicContact CE1-CG2 4.12Å; I597-I631 HydrophobicContact CD1-CD1 4.19Å; I597-I631 HydrophobicContact CD1-CG2 4.34Å; L623-I631 HydrophobicContact CD1-CD1 3.99Å; L623-I631 HydrophobicContact CD2-CD1 3.86Å; G627-I631 WeakPolarHBondContact O-CG1 3.44Å; G627-I631 PolarHBondContact O-N 3.45Å; G627-I631 VanDerWaalsContact O-N 3.07Å; V628-I631 PolarHBondContact O-N 3.08Å; F629-I631 VanDerWaalsContact C-N 3.34Å; F629-I631 PolarHBondContact O-N 2.98Å; I631-L633 VanDerWaalsContact C-N 3.33Å; I631-L633 PolarHBondContact O-N 2.92Å; I631-I634 PolarHBondContact O-N 3.31Å; I631-S635 WeakPolarHBondContact O-CB 3.43Å; I631-S635 PolarHBondContact O-N 3.43Å; I631-A643 HydrophobicContact CG2-CB 4.22Å; I631-T647 WeakPolarHBondContact CG2-OG1 3.48Å; I631-L650 HydrophobicContact CD1-CD1 3.99Å
632	R	94.3	Very high	91.8	Very high	23 Å²	23	21.5 Å²	21.5	9%	0.087	12%	0.117	C	C	.	.	H	α-helix	trans	-60.6	-40.6	171.5	-77.4	-170.6	-177.4	-75.1	9.8	112.6	W583 R586 F596 V628 F629 S635 I636	W583-R632 HydrophobicContact CH2-CB 4.47Å; W583-R632 HydrophobicContact CZ3-CB 4.35Å; R586-R632 PolarHBondContact O-NE 2.89Å; R586-R632 PolarHBondContact O-NH2 3.08Å; F596-R632 HydrophobicContact CD1-CG 3.93Å; F596-R632 HydrophobicContact CE1-CB 4.37Å; F596-R632 HydrophobicContact CE1-CG 3.38Å; F596-R632 HydrophobicContact CE2-CG 4.01Å; F596-R632 VanDerWaalsContact CE2-NH1 3.3Å; F596-R632 HydrophobicContact CG-CG 4.47Å; F596-R632 HydrophobicContact CZ-CB 4.23Å; F596-R632 HydrophobicContact CZ-CG 3.43Å; F596-R632 VanDerWaalsContact CZ-CG 3.43Å; V628-R632 PolarHBondContact O-N 3.11Å; F629-R632 WeakPolarHBondContact O-CB 3.38Å; F629-R632 PolarHBondContact O-N 3.16Å; F629-R632 VanDerWaalsContact O-N 3.14Å; R632-S635 WeakPolarHBondContact O-CB 3.18Å; R632-S635 PolarHBondContact O-N 3.43Å; R632-I636 WeakPolarHBondContact O-CG1 3.03Å; R632-I636 PolarHBondContact O-N 3.07Å
633	L	92.3	Very high	92	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-68.8	-36.2	-178.7	-169.8	60.4	0	0	0	111.6	V203 L207 F629 L630 I631 N637	V203-L633 HydrophobicContact CG1-CD2 4.02Å; L207-L633 HydrophobicContact CD1-CD2 3.82Å; L207-L633 HydrophobicContact CD1-CG 4.18Å; L207-L633 HydrophobicContact CD2-CG 4.1Å; F629-L633 HydrophobicContact CE1-CB 4.34Å; F629-L633 HydrophobicContact CE1-CD2 3.77Å; F629-L633 HydrophobicContact CZ-CD2 4.28Å; F629-L633 WeakPolarHBondContact O-CB 3.4Å; F629-L633 PolarHBondContact O-N 2.8Å; L630-L633 PolarHBondContact O-N 3.47Å; I631-L633 VanDerWaalsContact C-N 3.33Å; I631-L633 PolarHBondContact O-N 2.92Å; L633-N637 WeakPolarHBondContact O-CB 2.99Å; L633-N637 PolarHBondContact O-N 3.11Å; L633-N637 VanDerWaalsContact O-N 3.13Å; L633-N637 PolarHBondContact O-ND2 3.06Å
634	I	93.2	Very high	92.2	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.6	-47.8	170.9	-66.6	163.4	0	0	0	110.9	I206 L207 L630 I631 I636 N637 V638 G639 M642 A643 L646	I206-I634 HydrophobicContact CG2-CD1 4.04Å; L207-I634 HydrophobicContact CD2-CB 4.44Å; L207-I634 HydrophobicContact CD2-CG1 3.65Å; L630-I634 HydrophobicContact CG-CD1 4.33Å; L630-I634 VanDerWaalsContact O-CG1 3.3Å; L630-I634 WeakPolarHBondContact O-CG1 3.49Å; L630-I634 PolarHBondContact O-N 3.38Å; I631-I634 PolarHBondContact O-N 3.31Å; I634-I636 VanDerWaalsContact C-N 3.31Å; I634-I636 PolarHBondContact O-N 3.43Å; I634-N637 PolarHBondContact O-N 3.21Å; I634-V638 HydrophobicContact CG2-CB 4.24Å; I634-V638 HydrophobicContact CG2-CG2 4.41Å; I634-V638 WeakPolarHBondContact O-CA 3.27Å; I634-V638 WeakPolarHBondContact O-CB 3.49Å; I634-V638 PolarHBondContact O-N 2.9Å; I634-G639 PolarHBondContact O-N 2.92Å; I634-M642 HydrophobicContact CG2-CG 4.37Å; I634-A643 HydrophobicContact CG2-CB 4.43Å; I634-L646 HydrophobicContact CD1-CD2 3.48Å; I634-L646 VanDerWaalsContact CD1-CD2 3.48Å
635	S	93.4	Very high	92.4	Very high	18 Å²	18	20 Å²	20	13%	0.126	11%	0.113	C	C	.	.	H	α-helix	trans	-52.3	-47	175.3	151.1	0	0	0	0	111.9	Y600 I631 R632 G639 D640	Y600-S635 PolarHBondContact OH-OG 3.18Å; I631-S635 WeakPolarHBondContact O-CB 3.43Å; I631-S635 PolarHBondContact O-N 3.43Å; R632-S635 WeakPolarHBondContact O-CB 3.18Å; R632-S635 PolarHBondContact O-N 3.43Å; S635-G639 CarbonylContact O-C 3.51Å; S635-G639 VanDerWaalsContact O-CA 3.31Å; S635-G639 WeakPolarHBondContact O-CA 3.49Å; S635-G639 PolarHBondContact O-N 2.67Å; S635-D640 VanDerWaalsContact CB-OD1 3.28Å; S635-D640 WeakPolarHBondContact CB-OD1 3.34Å; S635-D640 PolarHBondContact OG-OD1 3.05Å
636	I	90.5	Very high	92.6	Very high	68 Å²	68	19.3 Å²	19.3	35%	0.349	11%	0.109	S	C	.	.	H	α-helix	trans	-72.5	-32.3	-177.7	-68.8	166.1	0	0	0	113.4	W583 R632 I634	W583-I636 HydrophobicContact CH2-CD1 3.62Å; W583-I636 HydrophobicContact CZ2-CD1 3.46Å; W583-I636 VanDerWaalsContact CZ2-CD1 3.46Å; R632-I636 WeakPolarHBondContact O-CG1 3.03Å; R632-I636 PolarHBondContact O-N 3.07Å; I634-I636 VanDerWaalsContact C-N 3.31Å; I634-I636 PolarHBondContact O-N 3.43Å
637	N	88.4	Confident	92.8	Very high	24 Å²	24	19.3 Å²	19.3	13%	0.128	11%	0.109	C	C	.	.	H	α-helix	trans	-107.5	-17.6	-171.7	-81.8	-83.6	0	0	0	115.7	F89 R96 L633 I634	F89-N637 HydrophobicContact CB-CB 3.87Å; F89-N637 HydrophobicContact CD1-CB 4.04Å; F89-N637 WeakPolarHBondContact CD1-O 3.45Å; F89-N637 HydrophobicContact CG-CB 4.43Å; F89-N637 WeakPolarHBondContact O-CB 3.39Å; F89-N637 PolarHBondContact O-ND2 3.02Å; F89-N637 VanDerWaalsContact O-ND2 3.13Å; R96-N637 PolarHBondContact NH2-OD1 2.95Å; L633-N637 WeakPolarHBondContact O-CB 2.99Å; L633-N637 PolarHBondContact O-N 3.11Å; L633-N637 VanDerWaalsContact O-N 3.13Å; L633-N637 PolarHBondContact O-ND2 3.06Å; I634-N637 PolarHBondContact O-N 3.21Å
638	V	89.6	Confident	92.9	Very high	16 Å²	16	20.3 Å²	20.3	10%	0.097	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	-36.5	-178.7	-175.8	0	0	0	0	111	S210 C211 N214 I634 M642	S210-V638 WeakPolarHBondContact O-CG1 3.38Å; C211-V638 HydrophobicContact CB-CG2 4.3Å; N214-V638 HydrophobicContact CB-CG1 3.94Å; N214-V638 PolarHBondContact ND2-O 3.26Å; N214-V638 VanDerWaalsContact ND2-O 3.09Å; I634-V638 HydrophobicContact CG2-CB 4.24Å; I634-V638 HydrophobicContact CG2-CG2 4.41Å; I634-V638 WeakPolarHBondContact O-CA 3.27Å; I634-V638 WeakPolarHBondContact O-CB 3.49Å; I634-V638 PolarHBondContact O-N 2.9Å; V638-M642 HydrophobicContact CG1-CB 4.04Å; V638-M642 HydrophobicContact CG1-CG 3.99Å
639	G	90.6	Very high	92.9	Very high	27 Å²	27	21.8 Å²	21.8	28%	0.278	12%	0.122	S	C	.	.			trans	128.9	160.2	176.3	0	0	0	0	0	113.4	I634 S635 L641 A643	I634-G639 PolarHBondContact O-N 2.92Å; S635-G639 CarbonylContact O-C 3.51Å; S635-G639 VanDerWaalsContact O-CA 3.31Å; S635-G639 WeakPolarHBondContact O-CA 3.49Å; S635-G639 PolarHBondContact O-N 2.67Å; G639-L641 PolarHBondContact O-N 3.02Å; G639-A643 PolarHBondContact O-N 2.93Å
640	D	92.3	Very high	92.9	Very high	86 Å²	86	21.8 Å²	21.8	46%	0.46	12%	0.122	S	C	.	.	H	α-helix	trans	-71.6	-28.1	-172.6	-84.7	-35	0	0	0	114.5	Y600 S635 A643 G644	Y600-D640 HydrophobicContact CE1-CB 4Å; Y600-D640 WeakPolarHBondContact CE1-O 3.4Å; Y600-D640 WeakPolarHBondContact CE1-OD1 3.43Å; Y600-D640 PolarHBondContact OH-OD1 3.32Å; S635-D640 VanDerWaalsContact CB-OD1 3.28Å; S635-D640 WeakPolarHBondContact CB-OD1 3.34Å; S635-D640 PolarHBondContact OG-OD1 3.05Å; D640-A643 PolarHBondContact O-N 2.98Å; D640-G644 PolarHBondContact O-N 3.02Å
641	L	91.7	Very high	92.9	Very high	115 Å²	115	21.8 Å²	21.8	60%	0.602	12%	0.122	S	C	*	.	H	α-helix	trans	-60.1	-55.3	174.8	179.8	61.3	0	0	0	110.7	G639 A643 G644 D645	G639-L641 PolarHBondContact O-N 3.02Å; L641-A643 VanDerWaalsContact C-N 3.25Å; L641-A643 PolarHBondContact O-N 3.24Å; L641-G644 WeakPolarHBondContact O-CA 3.37Å; L641-G644 PolarHBondContact O-N 3.05Å; L641-D645 PolarHBondContact O-N 3.33Å
642	M	92.6	Very high	92.9	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-60.9	-33.1	179	-171.3	60.2	-179	0	0	112.9	T221 V225 I228 I634 V638 L646	T221-M642 HydrophobicContact CG2-SD 4.31Å; V225-M642 HydrophobicContact CG2-CE 3.56Å; V225-M642 HydrophobicContact CG2-SD 3.52Å; V225-M642 VanDerWaalsContact CG2-SD 3.52Å; I228-M642 HydrophobicContact CD1-CE 3.66Å; I634-M642 HydrophobicContact CG2-CG 4.37Å; V638-M642 HydrophobicContact CG1-CB 4.04Å; V638-M642 HydrophobicContact CG1-CG 3.99Å; M642-L646 WeakPolarHBondContact O-CB 3.36Å; M642-L646 PolarHBondContact O-N 3.11Å
643	A	94.2	Very high	92.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-70.5	-35.7	172.2	0	0	0	0	0	112.4	Y600 I631 I634 G639 D640 L641 T647	Y600-A643 HydrophobicContact CE1-CB 4.21Å; I631-A643 HydrophobicContact CG2-CB 4.22Å; I634-A643 HydrophobicContact CG2-CB 4.43Å; G639-A643 PolarHBondContact O-N 2.93Å; D640-A643 PolarHBondContact O-N 2.98Å; L641-A643 VanDerWaalsContact C-N 3.25Å; L641-A643 PolarHBondContact O-N 3.24Å; A643-T647 WeakPolarHBondContact O-CB 3.29Å; A643-T647 PolarHBondContact O-N 3.31Å; A643-T647 PolarHBondContact O-OG1 3.42Å
644	G	93.8	Very high	92.7	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.01	15%	0.15	C	C	.	.	H	α-helix	trans	-65.3	-53.2	175.2	0	0	0	0	0	112.9	D640 L641 L646 T647 C648	D640-G644 PolarHBondContact O-N 3.02Å; L641-G644 WeakPolarHBondContact O-CA 3.37Å; L641-G644 PolarHBondContact O-N 3.05Å; G644-L646 VanDerWaalsContact C-N 3.33Å; G644-L646 PolarHBondContact O-N 3.29Å; G644-T647 WeakPolarHBondContact O-CB 3.37Å; G644-T647 PolarHBondContact O-N 2.76Å; G644-T647 VanDerWaalsContact O-N 3.11Å; G644-C648 WeakPolarHBondContact O-CB 3.36Å; G644-C648 PolarHBondContact O-N 2.81Å
645	D	93.7	Very high	92.6	Very high	26 Å²	26	31.7 Å²	31.7	14%	0.139	17%	0.165	C	C	.	.	H	α-helix	trans	-59.9	-43.2	179.7	-60.3	-38.4	0	0	0	111.6	M222 V225 L641 C648 E649	M222-D645 HydrophobicContact CE-CB 3.99Å; M222-D645 WeakPolarHBondContact CE-OD2 3.4Å; V225-D645 HydrophobicContact CG1-CB 4.02Å; V225-D645 HydrophobicContact CG2-CB 4.14Å; L641-D645 PolarHBondContact O-N 3.33Å; D645-C648 VanDerWaalsContact O-CB 3.31Å; D645-C648 WeakPolarHBondContact O-CB 3.11Å; D645-C648 PolarHBondContact O-N 3.32Å; D645-E649 PolarHBondContact O-N 2.77Å
646	L	94.8	Very high	92.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.5	-39.7	175.4	178.7	58.8	0	0	0	112.3	V225 I228 A229 M232 I634 M642 G644 C648 L650	V225-L646 HydrophobicContact CG1-CB 4.26Å; I228-L646 HydrophobicContact CB-CD1 4.31Å; I228-L646 HydrophobicContact CG2-CD1 3.86Å; I228-L646 HydrophobicContact CG2-CD2 4.17Å; A229-L646 HydrophobicContact CB-CD1 3.92Å; M232-L646 HydrophobicContact SD-CD1 4.21Å; M232-L646 HydrophobicContact SD-CD2 3.87Å; M232-L646 HydrophobicContact SD-CG 4.38Å; I634-L646 HydrophobicContact CD1-CD2 3.48Å; I634-L646 VanDerWaalsContact CD1-CD2 3.48Å; M642-L646 WeakPolarHBondContact O-CB 3.36Å; M642-L646 PolarHBondContact O-N 3.11Å; G644-L646 VanDerWaalsContact C-N 3.33Å; G644-L646 PolarHBondContact O-N 3.29Å; L646-C648 VanDerWaalsContact C-N 3.31Å; L646-L650 HydrophobicContact CD1-CD1 4.05Å; L646-L650 HydrophobicContact CD1-CG 4.29Å; L646-L650 HydrophobicContact CG-CD1 4.06Å; L646-L650 WeakPolarHBondContact O-CB 3.11Å; L646-L650 WeakPolarHBondContact O-CD1 3.48Å; L646-L650 WeakPolarHBondContact O-CG 3.31Å; L646-L650 PolarHBondContact O-N 2.03Å; L646-L650 VanDerWaalsContact O-N 3.08Å
647	T	95.2	Very high	92.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.6	-37.4	174.8	-57.3	0	0	0	0	111.1	I597 L601 I631 A643 G644 W651	I597-T647 HydrophobicContact CD1-CG2 4.29Å; I597-T647 HydrophobicContact CG2-CG2 3.9Å; L601-T647 HydrophobicContact CD1-CG2 4.25Å; L601-T647 HydrophobicContact CD2-CG2 3.98Å; L601-T647 HydrophobicContact CG-CG2 3.81Å; I631-T647 WeakPolarHBondContact CG2-OG1 3.48Å; A643-T647 WeakPolarHBondContact O-CB 3.29Å; A643-T647 PolarHBondContact O-N 3.31Å; A643-T647 PolarHBondContact O-OG1 3.42Å; G644-T647 WeakPolarHBondContact O-CB 3.37Å; G644-T647 PolarHBondContact O-N 2.76Å; G644-T647 VanDerWaalsContact O-N 3.11Å; T647-W651 WeakPolarHBondContact O-CB 3.21Å; T647-W651 PolarHBondContact O-N 3.29Å
648	C	94	Very high	92.3	Very high	21 Å²	21	41.8 Å²	41.8	14%	0.142	20%	0.202	C	C	.	.	H	α-helix	trans	-63.2	-55.9	177	-174.2	0	0	0	0	111.8	V606 G644 D645 L646 L650 W651 H652	V606-C648 VanDerWaalsContact CG2-SG 3.55Å; G644-C648 WeakPolarHBondContact O-CB 3.36Å; G644-C648 PolarHBondContact O-N 2.81Å; D645-C648 VanDerWaalsContact O-CB 3.31Å; D645-C648 WeakPolarHBondContact O-CB 3.11Å; D645-C648 PolarHBondContact O-N 3.32Å; L646-C648 VanDerWaalsContact C-N 3.31Å; C648-L650 VanDerWaalsContact C-N 3.33Å; C648-L650 PolarHBondContact O-N 3.45Å; C648-W651 WeakPolarHBondContact O-CB 3.49Å; C648-W651 PolarHBondContact O-N 2.89Å; C648-H652 PolarHBondContact O-CD2 3.36Å; C648-H652 PolarHBondContact O-N 3.23Å
649	E	93.6	Very high	92.2	Very high	30 Å²	30	45.8 Å²	45.8	14%	0.14	22%	0.223	C	C	.	.	H	α-helix	trans	-59.4	-40.9	177.5	-79.3	-79.8	136.1	0	0	112	V225 R226 A229 D645 W651 H652 I653	V225-E649 HydrophobicContact CG1-CB 4.32Å; V225-E649 HydrophobicContact CG1-CG 3.98Å; R226-E649 WeakPolarHBondContact CB-OE2 3.4Å; R226-E649 WeakPolarHBondContact CG-OE2 3.47Å; R226-E649 IonicContact CZ-OE1 3.79Å; R226-E649 IonicContact CZ-OE2 3.55Å; R226-E649 IonicContact NE-OE1 3.36Å; R226-E649 PolarHBondContact NE-OE1 2.88Å; R226-E649 IonicContact NE-OE2 3.99Å; R226-E649 PolarHBondContact NE-OE2 2.91Å; R226-E649 IonicContact NH2-OE1 2.78Å; R226-E649 PolarHBondContact NH2-OE1 3.45Å; R226-E649 IonicContact NH2-OE2 2.65Å; A229-E649 HydrophobicContact CB-CB 3.84Å; D645-E649 PolarHBondContact O-N 2.77Å; E649-W651 VanDerWaalsContact C-N 3.32Å; E649-W651 PolarHBondContact O-N 3.2Å; E649-H652 PolarHBondContact O-N 2.95Å; E649-I653 VanDerWaalsContact O-CG1 3.28Å; E649-I653 WeakPolarHBondContact O-CG1 3.33Å; E649-I653 PolarHBondContact O-N 2.05Å
650	L	94.4	Very high	92	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.9	-35.4	174.5	-74.9	168.8	0	0	0	113	A229 M232 F618 L623 I631 L646 C648 Y654	A229-L650 HydrophobicContact CB-CD2 4.06Å; A229-L650 HydrophobicContact CB-CG 4.06Å; A229-L650 WeakPolarHBondContact O-CD2 3.28Å; M232-L650 HydrophobicContact CB-CD2 4.29Å; M232-L650 HydrophobicContact CE-CD1 3.78Å; M232-L650 HydrophobicContact SD-CD1 4.39Å; F618-L650 HydrophobicContact CE2-CB 4.49Å; F618-L650 WeakPolarHBondContact CE2-O 3.03Å; F618-L650 HydrophobicContact CZ-CB 4.13Å; L623-L650 HydrophobicContact CD1-CD1 4.49Å; I631-L650 HydrophobicContact CD1-CD1 3.99Å; L646-L650 HydrophobicContact CD1-CD1 4.05Å; L646-L650 HydrophobicContact CD1-CG 4.29Å; L646-L650 HydrophobicContact CG-CD1 4.06Å; L646-L650 WeakPolarHBondContact O-CB 3.11Å; L646-L650 WeakPolarHBondContact O-CD1 3.48Å; L646-L650 WeakPolarHBondContact O-CG 3.31Å; L646-L650 PolarHBondContact O-N 2.03Å; L646-L650 VanDerWaalsContact O-N 3.08Å; C648-L650 VanDerWaalsContact C-N 3.33Å; C648-L650 PolarHBondContact O-N 3.45Å; L650-Y654 WeakPolarHBondContact O-CB 3.42Å; L650-Y654 PolarHBondContact O-N 2.86Å; L650-Y654 VanDerWaalsContact O-N 3.11Å
651	W	94.3	Very high	91.6	Very high	1 Å²	1	49.9 Å²	49.9	0%	0.004	23%	0.231	C	C	.	.	H	α-helix	trans	-71.7	-40	175.1	170.5	-105.7	0	0	0	112.1	L601 D611 A614 F618 T647 C648 E649 Y654 R655	L601-W651 HydrophobicContact CD1-CB 4.24Å; L601-W651 HydrophobicContact CD1-CD2 4.15Å; L601-W651 HydrophobicContact CD1-CE3 4.29Å; L601-W651 HydrophobicContact CD1-CG 4.14Å; L601-W651 HydrophobicContact CD2-CB 3.73Å; L601-W651 HydrophobicContact CD2-CG 3.92Å; D611-W651 HydrophobicContact CB-CH2 4.28Å; D611-W651 HydrophobicContact CB-CZ2 4.08Å; A614-W651 HydrophobicContact CB-CH2 3.92Å; F618-W651 HydrophobicContact CB-CE3 3.97Å; F618-W651 HydrophobicContact CB-CZ3 3.74Å; F618-W651 AromaticContact CD1-CE3 3.81Å; F618-W651 HydrophobicContact CD1-CE3 3.81Å; F618-W651 HydrophobicContact CD1-CZ3 4.3Å; F618-W651 HydrophobicContact CD2-CE3 4.08Å; F618-W651 HydrophobicContact CE1-CB 4.41Å; F618-W651 HydrophobicContact CE1-CE3 4.24Å; F618-W651 HydrophobicContact CE2-CE3 4.47Å; F618-W651 AromaticContact CG-CE3 3.71Å; F618-W651 HydrophobicContact CG-CE3 3.71Å; F618-W651 HydrophobicContact CG-CZ3 4.04Å; F618-W651 HydrophobicContact CZ-CB 4.1Å; T647-W651 WeakPolarHBondContact O-CB 3.21Å; T647-W651 PolarHBondContact O-N 3.29Å; C648-W651 WeakPolarHBondContact O-CB 3.49Å; C648-W651 PolarHBondContact O-N 2.89Å; E649-W651 VanDerWaalsContact C-N 3.32Å; E649-W651 PolarHBondContact O-N 3.2Å; W651-Y654 AromaticContact CE3-CD1 3.85Å; W651-Y654 HydrophobicContact CE3-CD1 3.85Å; W651-Y654 HydrophobicContact CE3-CE1 4.29Å; W651-Y654 AromaticContact CZ3-CD1 3.87Å; W651-Y654 HydrophobicContact CZ3-CD1 3.87Å; W651-Y654 AromaticContact CZ3-CE1 3.83Å; W651-Y654 HydrophobicContact CZ3-CE1 3.83Å; W651-Y654 PolarHBondContact O-N 2.84Å; W651-R655 HydrophobicContact CD2-CG 4.04Å; W651-R655 HydrophobicContact CG-CG 4.41Å; W651-R655 HydrophobicContact CZ2-CG 3.99Å; W651-R655 WeakPolarHBondContact O-CB 3.42Å; W651-R655 VanDerWaalsContact O-CG 3.28Å; W651-R655 WeakPolarHBondContact O-CG 3.22Å; W651-R655 PolarHBondContact O-N 3.23Å
652	H	93.1	Very high	91.3	Very high	93 Å²	93	47 Å²	47	43%	0.431	22%	0.219	S	C	.	.	H	α-helix	trans	-60.7	-44.8	173	-79.3	-73.3	0	0	0	112.1	C648 E649 Y654 R655 H656	C648-H652 PolarHBondContact O-CD2 3.36Å; C648-H652 PolarHBondContact O-N 3.23Å; E649-H652 PolarHBondContact O-N 2.95Å; H652-Y654 PolarHBondContact O-N 3.45Å; H652-R655 PolarHBondContact O-N 3.16Å; H652-H656 WeakPolarHBondContact O-CB 3.27Å; H652-H656 PolarHBondContact O-N 3.01Å
653	I	92.4	Very high	91	Very high	24 Å²	24	52.7 Å²	52.7	12%	0.123	25%	0.247	C	C	.	.	H	α-helix	trans	-58.8	-47.5	175.1	-70.3	166.3	0	0	0	111.1	A229 R230 E233 E649 H656 K657	A229-I653 HydrophobicContact CB-CD1 3.92Å; R230-I653 HydrophobicContact CG-CD1 4.23Å; E233-I653 HydrophobicContact CG-CG2 4.42Å; E233-I653 WeakPolarHBondContact OE1-CG2 3.37Å; E649-I653 VanDerWaalsContact O-CG1 3.28Å; E649-I653 WeakPolarHBondContact O-CG1 3.33Å; E649-I653 PolarHBondContact O-N 2.05Å; I653-H656 PolarHBondContact O-N 3.23Å; I653-K657 PolarHBondContact O-N 2.78Å
654	Y	91.8	Very high	90.5	Very high	27 Å²	27	57.1 Å²	57.1	11%	0.106	27%	0.268	C	S	.	.	H	α-helix	trans	-63.3	-43	176.9	168.1	-102.8	0	0	0	113	A614 K617 F618 Y622 L650 W651 H652 K657 R658	A614-Y654 PolarHBondContact O-OH 2.81Å; K617-Y654 WeakPolarHBondContact CB-OH 3.32Å; F618-Y654 HydrophobicContact CB-CD1 3.88Å; F618-Y654 HydrophobicContact CB-CE1 3.61Å; F618-Y654 HydrophobicContact CB-CG 4.43Å; F618-Y654 AromaticContact CD2-CD1 3.59Å; F618-Y654 HydrophobicContact CD2-CD1 3.59Å; F618-Y654 HydrophobicContact CD2-CD2 4.05Å; F618-Y654 HydrophobicContact CD2-CE1 4.2Å; F618-Y654 AromaticContact CD2-CG 3.49Å; F618-Y654 HydrophobicContact CD2-CG 3.49Å; F618-Y654 VanDerWaalsContact CD2-CG 3.49Å; F618-Y654 HydrophobicContact CE2-CD1 4.45Å; F618-Y654 HydrophobicContact CE2-CG 4.17Å; F618-Y654 HydrophobicContact CG-CD1 4.08Å; F618-Y654 HydrophobicContact CG-CE1 4.32Å; F618-Y654 HydrophobicContact CG-CG 4.38Å; F618-Y654 PolarHBondContact N-OH 2.91Å; Y622-Y654 HydrophobicContact CD1-CD2 4.35Å; Y622-Y654 AromaticContact CD2-CD2 3.93Å; Y622-Y654 HydrophobicContact CD2-CD2 3.93Å; Y622-Y654 AromaticContact CG-CD2 3.79Å; Y622-Y654 HydrophobicContact CG-CD2 3.79Å; Y622-Y654 HydrophobicContact CG-CE2 4.48Å; Y622-Y654 HydrophobicContact CG-CG 4.45Å; L650-Y654 WeakPolarHBondContact O-CB 3.42Å; L650-Y654 PolarHBondContact O-N 2.86Å; L650-Y654 VanDerWaalsContact O-N 3.11Å; W651-Y654 AromaticContact CE3-CD1 3.85Å; W651-Y654 HydrophobicContact CE3-CD1 3.85Å; W651-Y654 HydrophobicContact CE3-CE1 4.29Å; W651-Y654 AromaticContact CZ3-CD1 3.87Å; W651-Y654 HydrophobicContact CZ3-CD1 3.87Å; W651-Y654 AromaticContact CZ3-CE1 3.83Å; W651-Y654 HydrophobicContact CZ3-CE1 3.83Å; W651-Y654 PolarHBondContact O-N 2.84Å; H652-Y654 PolarHBondContact O-N 3.45Å; Y654-K657 PolarHBondContact O-N 2.91Å; Y654-R658 WeakPolarHBondContact O-CB 3.49Å; Y654-R658 PolarHBondContact O-N 3.34Å
655	R	90.2	Very high	90	Very high	86 Å²	86	63.1 Å²	63.1	33%	0.325	30%	0.295	S	S	.	.	H	α-helix	trans	-60.3	-45.1	176.5	-78.7	-92.5	-74.2	-144.5	-10.4	111.6	D611 W651 H652 R658 L659	D611-R655 IonicContact OD1-NH1 2.93Å; D611-R655 PolarHBondContact OD1-NH1 2.86Å; D611-R655 IonicContact OD2-CZ 3.32Å; D611-R655 IonicContact OD2-NH1 3.67Å; D611-R655 PolarHBondContact OD2-NH1 2.87Å; W651-R655 HydrophobicContact CD2-CG 4.04Å; W651-R655 HydrophobicContact CG-CG 4.41Å; W651-R655 HydrophobicContact CZ2-CG 3.99Å; W651-R655 WeakPolarHBondContact O-CB 3.42Å; W651-R655 VanDerWaalsContact O-CG 3.28Å; W651-R655 WeakPolarHBondContact O-CG 3.22Å; W651-R655 PolarHBondContact O-N 3.23Å; H652-R655 PolarHBondContact O-N 3.16Å; R655-R658 PolarHBondContact O-N 2.86Å; R655-L659 WeakPolarHBondContact O-CB 3.49Å; R655-L659 PolarHBondContact O-N 2.97Å
656	H	90.3	Very high	89.5	Confident	133 Å²	133	66.7 Å²	66.7	62%	0.616	31%	0.311	S	S	*	.	H	α-helix	trans	-64.1	-45	178.9	-177.4	59.7	0	0	0	111.9	H652 I653 L659 H660	H652-H656 WeakPolarHBondContact O-CB 3.27Å; H652-H656 PolarHBondContact O-N 3.01Å; I653-H656 PolarHBondContact O-N 3.23Å; H656-L659 PolarHBondContact O-N 3.42Å; H656-H660 PolarHBondContact O-N 2.63Å
657	K	88.4	Confident	89.1	Confident	92 Å²	92	73.8 Å²	73.8	40%	0.4	34%	0.342	S	S	.	.	H	α-helix	trans	-64.9	-43.3	175.9	-78.1	-171.1	169.3	175.4	0	113.3	E233 I653 Y654 L659 H660 E661	E233-K657 WeakPolarHBondContact OE1-CD 3.37Å; E233-K657 VanDerWaalsContact OE1-CE 3.23Å; E233-K657 WeakPolarHBondContact OE1-CE 3.05Å; E233-K657 IonicContact OE1-NZ 2.81Å; E233-K657 PolarHBondContact OE1-NZ 3.48Å; E233-K657 IonicContact OE2-NZ 3.49Å; I653-K657 PolarHBondContact O-N 2.78Å; Y654-K657 PolarHBondContact O-N 2.91Å; K657-L659 VanDerWaalsContact C-N 3.29Å; K657-L659 PolarHBondContact O-N 2.7Å; K657-H660 WeakPolarHBondContact O-CB 3.27Å; K657-H660 PolarHBondContact O-N 3.41Å; K657-E661 WeakPolarHBondContact O-CG 3.46Å; K657-E661 PolarHBondContact O-N 3.36Å
658	R	87	Confident	88.4	Confident	98 Å²	98	82.2 Å²	82.2	37%	0.37	38%	0.375	S	S	.	.	H	α-helix	trans	-63.8	-35.4	176.9	-175.8	176.8	171.3	-134	-11.6	112.1	Y654 R655 T662	Y654-R658 WeakPolarHBondContact O-CB 3.49Å; Y654-R658 PolarHBondContact O-N 3.34Å; R655-R658 PolarHBondContact O-N 2.86Å; R658-T662 PolarHBondContact O-N 3.39Å; R658-T662 VanDerWaalsContact O-N 3.07Å; R658-T662 PolarHBondContact O-OG1 3.33Å; R658-T662 VanDerWaalsContact O-OG1 3.11Å
659	L	87.5	Confident	87.9	Confident	99 Å²	99	85.9 Å²	85.9	52%	0.518	39%	0.393	S	S	.	.	H	α-helix	trans	-64.1	-43.9	174	-177.7	63.4	0	0	0	111	R655 H656 K657 T662 M663	R655-L659 WeakPolarHBondContact O-CB 3.49Å; R655-L659 PolarHBondContact O-N 2.97Å; H656-L659 PolarHBondContact O-N 3.42Å; K657-L659 VanDerWaalsContact C-N 3.29Å; K657-L659 PolarHBondContact O-N 2.7Å; L659-T662 WeakPolarHBondContact CA-OG1 3.39Å; L659-T662 PolarHBondContact O-N 3.35Å; L659-T662 PolarHBondContact O-OG1 3.22Å; L659-M663 HydrophobicContact CD1-CG 4.47Å; L659-M663 HydrophobicContact CD1-SD 4.43Å; L659-M663 HydrophobicContact CG-SD 4.04Å; L659-M663 WeakPolarHBondContact O-CG 3.32Å; L659-M663 PolarHBondContact O-N 3.3Å
660	H	86.8	Confident	87.5	Confident	102 Å²	102	87.9 Å²	87.9	47%	0.472	41%	0.405	S	S	.	.	H	α-helix	trans	-60.6	-48.2	175.2	-160.3	-75.8	0	0	0	111.8	H656 K657 T662 M663 E664	H656-H660 PolarHBondContact O-N 2.63Å; K657-H660 WeakPolarHBondContact O-CB 3.27Å; K657-H660 PolarHBondContact O-N 3.41Å; H660-T662 VanDerWaalsContact C-N 3.29Å; H660-T662 PolarHBondContact O-N 3.44Å; H660-M663 PolarHBondContact O-N 3.37Å; H660-M663 VanDerWaalsContact O-N 3.07Å; H660-E664 IonicContact CE1-OE1 2.67Å; H660-E664 PolarHBondContact CE1-OE1 3.36Å; H660-E664 IonicContact CE1-OE2 2.69Å; H660-E664 PolarHBondContact CE1-OE2 2.9Å; H660-E664 IonicContact CG-OE2 2.96Å; H660-E664 IonicContact ND1-OE1 3.02Å; H660-E664 IonicContact ND1-OE2 3.56Å; H660-E664 PolarHBondContact ND1-OE2 3.36Å; H660-E664 WeakPolarHBondContact O-CG 3.24Å; H660-E664 PolarHBondContact O-N 2.87Å
661	E	83.7	Confident	86.9	Confident	97 Å²	97	90.1 Å²	90.1	45%	0.453	42%	0.423	S	S	.	.	H	α-helix	trans	-53.1	-45.5	174.6	-71.5	174.3	151.5	0	0	110.8	K657 E664 E665	K657-E661 WeakPolarHBondContact O-CG 3.46Å; K657-E661 PolarHBondContact O-N 3.36Å; E661-E664 PolarHBondContact O-N 3.35Å; E661-E665 WeakPolarHBondContact O-CG 3.35Å; E661-E665 PolarHBondContact O-N 2.77Å
662	T	85.5	Confident	86.2	Confident	56 Å²	56	97 Å²	97	34%	0.344	45%	0.453	S	S	.	.	H	α-helix	trans	-71.9	-29.3	177.2	50.1	0	0	0	0	114.9	R658 L659 H660 Q666	R658-T662 PolarHBondContact O-N 3.39Å; R658-T662 VanDerWaalsContact O-N 3.07Å; R658-T662 PolarHBondContact O-OG1 3.33Å; R658-T662 VanDerWaalsContact O-OG1 3.11Å; L659-T662 WeakPolarHBondContact CA-OG1 3.39Å; L659-T662 PolarHBondContact O-N 3.35Å; L659-T662 PolarHBondContact O-OG1 3.22Å; H660-T662 VanDerWaalsContact C-N 3.29Å; H660-T662 PolarHBondContact O-N 3.44Å; T662-Q666 WeakPolarHBondContact O-CB 3.34Å; T662-Q666 PolarHBondContact O-N 3Å
663	M	86.2	Confident	85.4	Confident	121 Å²	121	97.4 Å²	97.4	60%	0.596	46%	0.459	S	S	*	.	H	α-helix	trans	-74.1	-33.7	175.5	-73.4	176.2	69.3	0	0	111.6	L659 H660 K667	L659-M663 HydrophobicContact CD1-CG 4.47Å; L659-M663 HydrophobicContact CD1-SD 4.43Å; L659-M663 HydrophobicContact CG-SD 4.04Å; L659-M663 WeakPolarHBondContact O-CG 3.32Å; L659-M663 PolarHBondContact O-N 3.3Å; H660-M663 PolarHBondContact O-N 3.37Å; H660-M663 VanDerWaalsContact O-N 3.07Å; M663-K667 WeakPolarHBondContact O-CB 3.36Å; M663-K667 PolarHBondContact O-N 2.86Å
664	E	83.8	Confident	84.1	Confident	93 Å²	93	102.9 Å²	102.9	44%	0.435	49%	0.488	S	S	.	.	H	α-helix	trans	-67	-48.6	170.8	-70.8	172.4	123.7	0	0	110.7	H660 E661 Q666 K667 Y668	H660-E664 IonicContact CE1-OE1 2.67Å; H660-E664 PolarHBondContact CE1-OE1 3.36Å; H660-E664 IonicContact CE1-OE2 2.69Å; H660-E664 PolarHBondContact CE1-OE2 2.9Å; H660-E664 IonicContact CG-OE2 2.96Å; H660-E664 IonicContact ND1-OE1 3.02Å; H660-E664 IonicContact ND1-OE2 3.56Å; H660-E664 PolarHBondContact ND1-OE2 3.36Å; H660-E664 WeakPolarHBondContact O-CG 3.24Å; H660-E664 PolarHBondContact O-N 2.87Å; E661-E664 PolarHBondContact O-N 3.35Å; E664-Q666 PolarHBondContact O-N 3.37Å; E664-K667 PolarHBondContact O-N 2.81Å; E664-Y668 WeakPolarHBondContact O-CD2 3.46Å; E664-Y668 PolarHBondContact O-N 2.91Å; E664-Y668 VanDerWaalsContact O-N 3.09Å
665	E	83.6	Confident	82.6	Confident	126 Å²	126	108 Å²	108	59%	0.589	52%	0.517	S	S	*	.	H	α-helix	trans	-55.3	-46.2	174.9	-74.9	174.3	163	0	0	112.1	E661 Y668 L669	E661-E665 WeakPolarHBondContact O-CG 3.35Å; E661-E665 PolarHBondContact O-N 2.77Å; E665-Y668 PolarHBondContact O-N 2.8Å; E665-L669 PolarHBondContact O-N 2.86Å
666	Q	83.8	Confident	80.5	Confident	101 Å²	101	108 Å²	108	47%	0.472	53%	0.527	S	S	.	.	H	α-helix	trans	-62.1	-45.5	176.2	-171.4	63.4	47.3	0	0	112	T662 E664 Y668 L669 D670	T662-Q666 WeakPolarHBondContact O-CB 3.34Å; T662-Q666 PolarHBondContact O-N 3Å; E664-Q666 PolarHBondContact O-N 3.37Å; Q666-Y668 PolarHBondContact O-N 3.04Å; Q666-L669 WeakPolarHBondContact O-CB 3.43Å; Q666-L669 PolarHBondContact O-N 3.45Å; Q666-D670 PolarHBondContact NE2-OD1 3.12Å; Q666-D670 PolarHBondContact O-N 2.96Å
667	K	85.5	Confident	78.3	Confident	149 Å²	149	107.8 Å²	107.8	65%	0.648	54%	0.537	S	S	*	.	H	α-helix	trans	-59.4	-33.5	178.9	-173.5	-178.2	177.3	-174.5	0	112.7	M663 E664 A671	M663-K667 WeakPolarHBondContact O-CB 3.36Å; M663-K667 PolarHBondContact O-N 2.86Å; E664-K667 PolarHBondContact O-N 2.81Å; K667-A671 WeakPolarHBondContact O-CB 3.48Å; K667-A671 PolarHBondContact O-N 2.82Å; K667-A671 VanDerWaalsContact O-N 3.08Å
668	Y	81.1	Confident	76.3	Confident	178 Å²	178	106.1 Å²	106.1	70%	0.698	55%	0.546	S	S	*	.	H	α-helix	trans	-70.8	-35.6	173.5	-74.9	-68.4	0	0	0	112.9	E664 E665 Q666 F672	E664-Y668 WeakPolarHBondContact O-CD2 3.46Å; E664-Y668 PolarHBondContact O-N 2.91Å; E664-Y668 VanDerWaalsContact O-N 3.09Å; E665-Y668 PolarHBondContact O-N 2.8Å; Q666-Y668 PolarHBondContact O-N 3.04Å; Y668-F672 PolarHBondContact O-N 3.41Å
669	L	83.6	Confident	74.2	Confident	98 Å²	98	108.8 Å²	108.8	51%	0.513	57%	0.568	S	S	.	*	H	α-helix	trans	-69.5	-44.9	175.6	-67.3	169	0	0	0	111.7	E665 Q666 A671 F672 N673	E665-L669 PolarHBondContact O-N 2.86Å; Q666-L669 WeakPolarHBondContact O-CB 3.43Å; Q666-L669 PolarHBondContact O-N 3.45Å; L669-A671 VanDerWaalsContact C-N 3.29Å; L669-A671 PolarHBondContact O-N 3.2Å; L669-F672 WeakPolarHBondContact O-CB 3.36Å; L669-F672 PolarHBondContact O-N 3.19Å; L669-F672 VanDerWaalsContact O-N 3.07Å; L669-N673 PolarHBondContact O-N 3.02Å
670	D	85.2	Confident	71.9	Confident	72 Å²	72	114.8 Å²	114.8	39%	0.385	59%	0.585	S	S	.	*	H	α-helix	trans	-60.6	-41.3	175.8	-56.9	-23.8	0	0	0	110.8	Q666 F672 N674	Q666-D670 PolarHBondContact NE2-OD1 3.12Å; Q666-D670 PolarHBondContact O-N 2.96Å; D670-F672 VanDerWaalsContact C-N 3.32Å; D670-F672 PolarHBondContact O-N 3.02Å; D670-N674 WeakPolarHBondContact O-CB 3.31Å; D670-N674 VanDerWaalsContact O-CG 3.27Å; D670-N674 PolarHBondContact O-N 2.79Å; D670-N674 VanDerWaalsContact O-N 3.15Å; D670-N674 PolarHBondContact O-ND2 2.97Å; D670-N674 VanDerWaalsContact O-ND2 3.16Å
671	A	81.9	Confident	69.8	Low	47 Å²	47	117.2 Å²	117.2	39%	0.388	60%	0.601	S	S	.	*	H	α-helix	trans	-69.8	-24.5	175.4	0	0	0	0	0	113.6	K667 L669 N675	K667-A671 WeakPolarHBondContact O-CB 3.48Å; K667-A671 PolarHBondContact O-N 2.82Å; K667-A671 VanDerWaalsContact O-N 3.08Å; L669-A671 VanDerWaalsContact C-N 3.29Å; L669-A671 PolarHBondContact O-N 3.2Å; A671-N675 PolarHBondContact O-ND2 2.9Å
672	F	79.6	Confident	68	Low	145 Å²	145	120.8 Å²	120.8	64%	0.636	62%	0.621	S	S	*	*	H	α-helix	trans	-74	-52.1	173	-176.1	-97.1	0	0	0	110.6	Y668 L669 D670 N674 N675	Y668-F672 PolarHBondContact O-N 3.41Å; L669-F672 WeakPolarHBondContact O-CB 3.36Å; L669-F672 PolarHBondContact O-N 3.19Å; L669-F672 VanDerWaalsContact O-N 3.07Å; D670-F672 VanDerWaalsContact C-N 3.32Å; D670-F672 PolarHBondContact O-N 3.02Å; F672-N674 VanDerWaalsContact C-N 3.31Å; F672-N674 PolarHBondContact O-N 2.71Å; F672-N675 PolarHBondContact O-N 2.81Å
673	N	75.1	Confident	65.8	Low	102 Å²	102	124 Å²	124	55%	0.545	64%	0.637	S	S	.	*	H	α-helix	trans	-58.3	-41.6	-178.5	-67.8	-8.5	0	0	0	112.3	L669 N675 T676	L669-N673 PolarHBondContact O-N 3.02Å; N673-N675 PolarHBondContact O-N 3.28Å; N673-T676 PolarHBondContact O-N 3.46Å; N673-T676 PolarHBondContact O-OG1 3.46Å
674	N	65.1	Low	63.4	Low	138 Å²	138	126.1 Å²	126.1	74%	0.738	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-6.4	178.7	-69.7	-24.4	0	0	0	114.6	D670 F672	D670-N674 WeakPolarHBondContact O-CB 3.31Å; D670-N674 VanDerWaalsContact O-CG 3.27Å; D670-N674 PolarHBondContact O-N 2.79Å; D670-N674 VanDerWaalsContact O-N 3.15Å; D670-N674 PolarHBondContact O-ND2 2.97Å; D670-N674 VanDerWaalsContact O-ND2 3.16Å; F672-N674 VanDerWaalsContact C-N 3.31Å; F672-N674 PolarHBondContact O-N 2.71Å
675	N	60	Low	61.5	Low	134 Å²	134	127.4 Å²	127.4	72%	0.717	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.1	5.3	175.7	-78.8	-71	0	0	0	113.3	A671 F672 N673 P677	A671-N675 PolarHBondContact O-ND2 2.9Å; F672-N675 PolarHBondContact O-N 2.81Å; N673-N675 PolarHBondContact O-N 3.28Å; N675-P677 WeakPolarHBondContact O-CD 3.38Å
676	T	47.7	Very low	59.4	Low	87 Å²	87	128.2 Å²	128.2	53%	0.534	67%	0.668	S	S	.	*	S	Bend	trans	-84.2	115.1	169.6	-0.6	0	0	0	0	109.9	N673 G678	N673-T676 PolarHBondContact O-N 3.46Å; N673-T676 PolarHBondContact O-OG1 3.46Å; T676-G678 VanDerWaalsContact C-N 3.35Å; T676-G678 PolarHBondContact O-N 3.25Å
677	P	43.1	Very low	57.3	Low	128 Å²	128	130.5 Å²	130.5	83%	0.831	68%	0.684	S	S	*	*			trans	-78.3	83.3	179.2	32	-34.6	0	0	0	110.5	N675	N675-P677 WeakPolarHBondContact O-CD 3.38Å
678	G	45.9	Very low	55.2	Low	57 Å²	57	130.1 Å²	130.1	59%	0.588	69%	0.689	S	S	*	*			trans	-164.2	72.8	-176	0	0	0	0	0	113.6	T676	T676-G678 VanDerWaalsContact C-N 3.35Å; T676-G678 PolarHBondContact O-N 3.25Å
679	D	42.9	Very low	53.3	Low	154 Å²	154	127.7 Å²	127.7	82%	0.824	69%	0.688	S	S	*	*			trans	-176.7	81.6	141	-92.5	-18.1	0	0	0	109.9
680	Y	41	Very low	51.3	Low	226 Å²	226	129.2 Å²	129.2	89%	0.886	70%	0.697	S	S	*	*			trans	-118.8	30.6	172.5	-79.5	-63.6	0	0	0	112.1
681	L	41.6	Very low	49.1	Very low	152 Å²	152	132.2 Å²	132.2	80%	0.796	71%	0.713	S	S	*	*			trans	-138.4	155.1	169.5	-71.7	176.6	0	0	0	109.1
682	I	45.3	Very low	47.1	Very low	173 Å²	173	136.4 Å²	136.4	89%	0.887	73%	0.728	S	S	*	*	S	Bend	trans	73.5	122.9	-172.8	-50.1	172.8	0	0	0	113.4
683	N	39.9	Very low	45	Very low	124 Å²	124	137.2 Å²	137.2	66%	0.663	74%	0.74	S	S	*	*			cis	-152.7	112	-26.8	-176.9	14.6	0	0	0	107.7	N685	N683-N685 PolarHBondContact O-N 3.28Å; N683-N685 VanDerWaalsContact O-N 3.11Å
684	N	36.6	Very low	43	Very low	165 Å²	165	136.1 Å²	136.1	88%	0.882	75%	0.752	S	S	*	*			trans	-86.2	77.7	177.6	-171.8	22.7	0	0	0	110.2
685	N	42.7	Very low	41.6	Very low	119 Å²	119	135.1 Å²	135.1	64%	0.636	76%	0.756	S	S	*	*			trans	-155.7	153.2	176.3	-109.7	-41	0	0	0	114.1	N683	N683-N685 PolarHBondContact O-N 3.28Å; N683-N685 VanDerWaalsContact O-N 3.11Å
686	N	40.3	Very low	40.2	Very low	143 Å²	143	135.6 Å²	135.6	77%	0.765	76%	0.758	S	S	*	*			trans	66	79.3	166.6	-59.6	-11	0	0	0	117.7	N688	N686-N688 PolarHBondContact O-N 2.96Å
687	N	39.2	Very low	39.5	Very low	150 Å²	150	142.8 Å²	142.8	80%	0.802	78%	0.778	S	S	*	*			trans	-51.2	126.5	130.1	-74.1	-36.1	0	0	0	109.1
688	N	41.8	Very low	38.9	Very low	140 Å²	140	144.1 Å²	144.1	75%	0.749	78%	0.776	S	S	*	*				170.3	135.6	128.7	-87.7	-28.6	0	0	0	113.5	N686	N686-N688 PolarHBondContact O-N 2.96Å
689	N	40.9	Very low	38.1	Very low	128 Å²	128	144.8 Å²	144.8	68%	0.684	78%	0.783	S	S	*	*			trans	54.3	108.7	142.7	-59.1	-20.7	0	0	0	121.4
690	N	40.9	Very low	37.5	Very low	130 Å²	130	144.6 Å²	144.6	70%	0.695	78%	0.777	S	S	*	*				65.9	116.9	118.8	-61.3	-7.9	0	0	0	121.7
691	N	39.9	Very low	37.1	Very low	134 Å²	134	140.6 Å²	140.6	72%	0.717	78%	0.776	S	S	*	*				86.9	139.4	129.2	-63	-7	0	0	0	121.6
692	N	39.3	Very low	36.7	Very low	135 Å²	135	138.8 Å²	138.8	72%	0.722	77%	0.767	S	S	*	*			trans	78.5	103.8	151.9	-59.8	-15.7	0	0	0	120.3
693	N	35.1	Very low	36	Very low	163 Å²	163	137.5 Å²	137.5	87%	0.872	76%	0.763	S	S	*	*				44.6	104.8	125.5	-54.8	-9.4	0	0	0	119
694	G	33.2	Very low	35.5	Very low	78 Å²	78	138.7 Å²	138.7	80%	0.804	77%	0.768	S	S	*	*			trans	-151.3	124.6	165	0	0	0	0	0	111.7
695	S	36.7	Very low	35.2	Very low	117 Å²	117	138.3 Å²	138.3	82%	0.818	77%	0.765	S	S	*	*			trans	-71.6	149.5	-166.4	-56.4	0	0	0	0	116.4
696	N	30.2	Very low	34.7	Very low	144 Å²	144	140.4 Å²	140.4	77%	0.77	78%	0.775	S	S	*	*			trans	4.8	130.2	148.7	-57.6	-12.2	0	0	0	119.1
697	Y	32.6	Very low	34.2	Very low	239 Å²	239	137.7 Å²	137.7	94%	0.937	77%	0.772	S	S	*	*			trans	-138	159.5	131.4	-103.7	-79.3	0	0	0	110.7
698	I	30	Very low	33.8	Very low	155 Å²	155	133.7 Å²	133.7	80%	0.795	77%	0.767	S	S	*	*			trans	-101.3	145.3	-160.8	-64.1	165.2	0	0	0	111.7
699	G	30.7	Very low	33.3	Very low	72 Å²	72	131.1 Å²	131.1	74%	0.742	76%	0.756	S	S	*	*			trans	-162.3	97	167.7	0	0	0	0	0	111.7
700	E	29.3	Very low	32.8	Very low	150 Å²	150	131.1 Å²	131.1	70%	0.701	76%	0.761	S	S	*	*			trans	-75.4	130.1	179	-70.5	176.7	78.7	0	0	112.8	N702	E700-N702 PolarHBondContact OE1-ND2 3.39Å
701	T	32.7	Very low	32.3	Very low	141 Å²	141	132 Å²	132	87%	0.865	76%	0.764	S	S	*	*			trans	-136.4	108.8	150.7	52.9	0	0	0	0	108.5
702	N	32.7	Very low	31.9	Very low	114 Å²	114	131 Å²	131	61%	0.61	77%	0.765	S	S	*	*			trans	-86.2	143.2	-167.3	-68.9	-43.7	0	0	0	113.5	E700	E700-N702 PolarHBondContact OE1-ND2 3.39Å
703	D	30.6	Very low	31.5	Very low	147 Å²	147	129.6 Å²	129.6	79%	0.786	77%	0.765	S	S	*	*			trans	56.3	135.6	153.2	-58.7	-31.7	0	0	0	119.4
704	L	29.4	Very low	31.3	Very low	149 Å²	149	126.6 Å²	126.6	78%	0.78	76%	0.757	S	S	*	*			cis	-160.1	100	21.4	-151.6	157.4	0	0	0	110.9
705	I	31.3	Very low	31.1	Very low	157 Å²	157	134.2 Å²	134.2	81%	0.805	76%	0.762	S	S	*	*			trans	-101	143.7	178.3	-75.8	177.8	0	0	0	111.3
706	L	31.3	Very low	30.8	Very low	162 Å²	162	138.4 Å²	138.4	85%	0.848	76%	0.761	S	S	*	*			trans	38.6	99.7	169.5	-102.2	63.6	0	0	0	118.7
707	A	31.1	Very low	30.8	Very low	86 Å²	86	136 Å²	136	71%	0.711	76%	0.755	S	S	*	*			trans	-103.9	75	147.3	0	0	0	0	0	109.5	T709	A707-T709 PolarHBondContact O-N 3.07Å
708	G	29.3	Very low	30.7	Very low	67 Å²	67	131.5 Å²	131.5	69%	0.691	75%	0.747	S	S	*	*			trans	-64.4	97.4	176.8	0	0	0	0	0	111	T710	G708-T710 PolarHBondContact O-N 3.06Å
709	T	31.7	Very low	30.8	Very low	85 Å²	85	132.9 Å²	132.9	52%	0.521	75%	0.748	S	S	.	*			trans	-92.6	102.2	-179.4	59.2	0	0	0	0	111.4	R608 A707	R608-T709 PolarHBondContact NH1-OG1 3.06Å; R608-T709 VanDerWaalsContact NH1-OG1 3.15Å; A707-T709 PolarHBondContact O-N 3.07Å
710	T	30.4	Very low	30.8	Very low	128 Å²	128	135.8 Å²	135.8	79%	0.785	75%	0.746	S	S	*	*			trans	-45.7	137.3	171.7	44.2	0	0	0	0	111.4	G708 P712	G708-T710 PolarHBondContact O-N 3.06Å; T710-P712 VanDerWaalsContact O-CD 3.27Å; T710-P712 WeakPolarHBondContact O-CD 3.5Å
711	I	31.1	Very low	31	Very low	149 Å²	149	137.6 Å²	137.6	76%	0.764	76%	0.755	S	S	*	*			trans	-69.9	119.4	175.5	-61.6	169.1	0	0	0	107.5	S713	I711-S713 PolarHBondContact O-N 3.32Å
712	P	31.6	Very low	30.9	Very low	113 Å²	113	136.3 Å²	136.3	73%	0.734	75%	0.751	S	S	*	*			trans	-73.3	98.5	166.1	30.3	-30.4	0	0	0	107.6	T710 S714	T710-P712 VanDerWaalsContact O-CD 3.27Å; T710-P712 WeakPolarHBondContact O-CD 3.5Å; P712-S714 PolarHBondContact O-N 2.89Å
713	S	29.9	Very low	31.1	Very low	105 Å²	105	136.5 Å²	136.5	73%	0.734	76%	0.758	S	S	*	*			trans	-51.4	135.9	171.3	-63.9	0	0	0	0	110.1	I711 R715	I711-S713 PolarHBondContact O-N 3.32Å; S713-R715 PolarHBondContact O-N 2.85Å; S713-R715 VanDerWaalsContact O-N 3.09Å
714	S	30.8	Very low	31.3	Very low	100 Å²	100	135.8 Å²	135.8	70%	0.699	76%	0.76	S	S	*	*			trans	-54.3	116.4	-179.9	50.9	0	0	0	0	110.5	P712 Y716	P712-S714 PolarHBondContact O-N 2.89Å; S714-Y716 PolarHBondContact O-N 2.63Å
715	R	29.2	Very low	31.7	Very low	239 Å²	239	132.7 Å²	132.7	90%	0.902	76%	0.756	S	S	*	*			trans	-76.5	61	-171.8	-165.2	-171.5	-73.1	-170.9	-3.4	112.6	S713 S717	S713-R715 PolarHBondContact O-N 2.85Å; S713-R715 VanDerWaalsContact O-N 3.09Å; R715-S717 PolarHBondContact O-N 2.55Å
716	Y	31.4	Very low	32	Very low	205 Å²	205	130.8 Å²	130.8	80%	0.804	75%	0.754	S	S	*	*			trans	-81.3	96	164.7	-84.6	-82.4	0	0	0	109.1	S714 N718	S714-Y716 PolarHBondContact O-N 2.63Å; Y716-N718 PolarHBondContact O-N 3.38Å
717	S	30.1	Very low	32.3	Very low	92 Å²	92	128 Å²	128	64%	0.643	75%	0.745	S	S	*	*			trans	-78.4	80.2	-176.6	175.2	0	0	0	0	111.8	R715 K719	R715-S717 PolarHBondContact O-N 2.55Å; S717-K719 PolarHBondContact O-N 3.26Å; S717-K719 VanDerWaalsContact O-N 3.1Å
718	N	29.9	Very low	32.4	Very low	145 Å²	145	131 Å²	131	78%	0.775	75%	0.75	S	S	*	*			trans	-78.9	88.4	173.1	-159.4	16.9	0	0	0	110.7	Y716	Y716-N718 PolarHBondContact O-N 3.38Å
719	K	32.7	Very low	32.8	Very low	184 Å²	184	137.3 Å²	137.3	80%	0.8	76%	0.761	S	S	*	*			trans	-99.3	101.1	177.5	-86.9	-168.2	172	-171.1	0	111.1	S717	S717-K719 PolarHBondContact O-N 3.26Å; S717-K719 VanDerWaalsContact O-N 3.1Å
720	N	29.6	Very low	32.8	Very low	134 Å²	134	140.4 Å²	140.4	72%	0.717	77%	0.774	S	S	*	*			trans	-87.7	110.2	166.7	-74.8	-13.5	0	0	0	110.3
721	H	34.8	Very low	33	Very low	188 Å²	188	140.7 Å²	140.7	87%	0.87	78%	0.776	S	S	*	*			trans	-150.9	118.7	158.8	-91.7	-62.3	0	0	0	110.3
722	S	29.4	Very low	33	Very low	113 Å²	113	140.6 Å²	140.6	79%	0.79	78%	0.776	S	S	*	*			trans	-88.8	172.5	157	-54.7	0	0	0	0	109.2
723	P	36.7	Very low	33.2	Very low	118 Å²	118	142.1 Å²	142.1	77%	0.766	78%	0.776	S	S	*	*			cis	-107.7	-167.3	-2.4	28.3	-5.9	0	0	0	110.9
724	T	35.3	Very low	33.1	Very low	132 Å²	132	144.4 Å²	144.4	81%	0.81	78%	0.78	S	S	*	*			cis	-158.6	161.8	30	-44.3	0	0	0	0	110.6
725	A	37.1	Very low	33.4	Very low	85 Å²	85	145.7 Å²	145.7	70%	0.702	78%	0.784	S	S	*	*			trans	-110.3	-172.1	176.3	0	0	0	0	0	110.8
726	P	38.4	Very low	33.4	Very low	117 Å²	117	141.1 Å²	141.1	76%	0.76	78%	0.782	S	S	*	*			cis	-128.4	-148.8	-5.1	45.9	-27.3	0	0	0	110.3
727	P	38.8	Very low	33.7	Very low	104 Å²	104	136.4 Å²	136.4	68%	0.675	78%	0.779	S	S	*	*			cis	-133	157.5	-12.6	39	-21	0	0	0	117.9
728	N	33	Very low	33.7	Very low	149 Å²	149	139.7 Å²	139.7	80%	0.797	79%	0.79	S	S	*	*			trans	21.6	124.4	144	-54.4	-6.3	0	0	0	121.9
729	Q	37	Very low	34.1	Very low	198 Å²	198	140.4 Å²	140.4	93%	0.925	79%	0.792	S	S	*	*				-152.5	140.1	118.8	-112.1	173.4	17.2	0	0	111
730	N	31.3	Very low	33.9	Very low	150 Å²	150	137.3 Å²	137.3	80%	0.802	79%	0.789	S	S	*	*			trans	-100.1	145.5	-176.3	-66.6	-28.7	0	0	0	111.8
731	T	34.8	Very low	34.4	Very low	134 Å²	134	138.2 Å²	138.2	82%	0.822	79%	0.792	S	S	*	*			trans	-156.5	140.9	140.7	-66.8	0	0	0	0	109.2
732	I	30.9	Very low	34.5	Very low	148 Å²	148	134.9 Å²	134.9	76%	0.759	79%	0.787	S	S	*	*			trans	-117.3	127.5	-179.2	-59.9	163.4	0	0	0	108.8
733	I	36.8	Very low	34.6	Very low	144 Å²	144	132.9 Å²	132.9	74%	0.738	78%	0.784	S	S	*	*			trans	-141	130.4	156.5	-59.5	-175.7	0	0	0	109.2
734	N	28.1	Very low	34.7	Very low	153 Å²	153	133.9 Å²	133.9	82%	0.818	79%	0.789	S	S	*	*			trans	-95.4	137.4	166.2	-75	-38	0	0	0	109.6
735	T	35.5	Very low	34.5	Very low	128 Å²	128	135 Å²	135	79%	0.785	79%	0.789	S	S	*	*			trans	-149.9	123.7	163.3	2.5	0	0	0	0	112.8
736	T	29.9	Very low	34.6	Very low	142 Å²	142	139 Å²	139	87%	0.871	80%	0.797	S	S	*	*			trans	-87.9	135.8	163.9	48.6	0	0	0	0	110.1
737	S	37.3	Very low	34.5	Very low	106 Å²	106	139.9 Å²	139.9	74%	0.741	80%	0.796	S	S	*	*			trans	-149.2	145.4	167	54	0	0	0	0	112.4
738	N	31.7	Very low	34.4	Very low	161 Å²	161	142.3 Å²	142.3	86%	0.861	80%	0.803	S	S	*	*			trans	-83.4	147.8	172.3	-61.3	-55.7	0	0	0	109.9
739	I	36.8	Very low	34.6	Very low	160 Å²	160	140.5 Å²	140.5	82%	0.821	80%	0.797	S	S	*	*			trans	-130.2	128.5	166	-61.4	-177.5	0	0	0	109.6
740	T	29.2	Very low	34.5	Very low	119 Å²	119	137.6 Å²	137.6	73%	0.73	79%	0.787	S	S	*	*			trans	-118.1	-162.7	173.8	-50.3	0	0	0	0	107.1
741	I	39.8	Very low	34.6	Very low	154 Å²	154	137.6 Å²	137.6	79%	0.79	79%	0.787	S	S	*	*			trans	83.8	137.8	164.2	-46.2	149.7	0	0	0	113.4
742	P	37.5	Very low	34.5	Very low	117 Å²	117	139.4 Å²	139.4	76%	0.76	79%	0.785	S	S	*	*			cis	-133	-153	-37.1	41.2	-22.8	0	0	0	110.9
743	G	30.8	Very low	34.6	Very low	71 Å²	71	138.3 Å²	138.3	73%	0.732	79%	0.791	S	S	*	*			trans	-142.6	154.2	159.6	0	0	0	0	0	111.9
744	T	38.3	Very low	34.4	Very low	140 Å²	140	136.9 Å²	136.9	86%	0.859	79%	0.794	S	S	*	*			trans	-142.9	142.8	177.6	41.9	0	0	0	0	111.4
745	N	31.8	Very low	34.7	Very low	155 Å²	155	135.1 Å²	135.1	83%	0.829	79%	0.794	S	S	*	*			trans	-93.2	160.4	169.9	-70.9	-42.1	0	0	0	110.6
746	I	39.1	Very low	34.6	Very low	170 Å²	170	136 Å²	136	87%	0.872	79%	0.793	S	S	*	*			trans	-164	153.5	138.2	-102.4	150.5	0	0	0	109.5
747	N	35.8	Very low	34.9	Very low	135 Å²	135	136.4 Å²	136.4	72%	0.722	79%	0.79	S	S	*	*			trans	-91.7	155.5	-171.9	-50.5	-44.2	0	0	0	112.3
748	N	38.1	Very low	34.8	Very low	155 Å²	155	138.2 Å²	138.2	83%	0.829	79%	0.792	S	S	*	*				-177.4	154.5	107.5	-91.4	-15.8	0	0	0	116.2
749	T	36.4	Very low	35	Very low	110 Å²	110	137.8 Å²	137.8	68%	0.675	79%	0.789	S	S	*	*			trans	-48.1	133.7	-176	45.5	0	0	0	0	120.9
750	I	34.4	Very low	34.9	Very low	137 Å²	137	135.5 Å²	135.5	70%	0.703	79%	0.788	S	S	*	*				50.5	116.4	119.9	-54.6	163.8	0	0	0	119.1
751	N	33.8	Very low	35.4	Very low	151 Å²	151	137 Å²	137	81%	0.807	79%	0.79	S	S	*	*				-163.1	167.7	114.9	-114.1	-49.5	0	0	0	114.7
752	H	31.8	Very low	35.3	Very low	171 Å²	171	137.6 Å²	137.6	79%	0.792	80%	0.8	S	S	*	*			trans	-80.7	144.7	-171.4	-74.6	-111.8	0	0	0	114.8
753	S	34.2	Very low	35.2	Very low	125 Å²	125	138.6 Å²	138.6	87%	0.874	80%	0.802	S	S	*	*				179.1	168.4	110	46.1	0	0	0	0	112.8
754	S	31.6	Very low	35.4	Very low	115 Å²	115	142.2 Å²	142.2	80%	0.804	81%	0.806	S	S	*	*			trans	-92.9	143.7	-166.9	52.6	0	0	0	0	115.1
755	S	34.9	Very low	35.2	Very low	116 Å²	116	142.3 Å²	142.3	81%	0.811	80%	0.803	S	S	*	*				-166	170.7	118.4	59.8	0	0	0	0	111.1
756	N	33.5	Very low	35.4	Very low	145 Å²	145	141.5 Å²	141.5	78%	0.775	80%	0.801	S	S	*	*			trans	-82.6	145.9	-179.1	-48.5	-53.2	0	0	0	111.1
757	N	36.5	Very low	35.2	Very low	151 Å²	151	139.8 Å²	139.8	81%	0.807	80%	0.797	S	S	*	*				-178.1	166.8	111.2	-87.6	-9.3	0	0	0	112.6
758	D	35	Very low	35.2	Very low	144 Å²	144	140.1 Å²	140.1	77%	0.77	80%	0.802	S	S	*	*			trans	-60.3	173.3	-162.2	-59.3	-74.1	0	0	0	120.5
759	D	35.9	Very low	35	Very low	152 Å²	152	139 Å²	139	81%	0.813	80%	0.8	S	S	*	*			trans	87.7	138.6	150.2	-79.4	-30.9	0	0	0	122.9
760	S	35.3	Very low	34.9	Very low	113 Å²	113	141.2 Å²	141.2	79%	0.79	81%	0.809	S	S	*	*			trans	66.4	155.9	-177.3	81.7	0	0	0	0	115.3
761	I	38.4	Very low	34.9	Very low	151 Å²	151	141.6 Å²	141.6	77%	0.774	82%	0.818	S	S	*	*			cis	-147.5	158.7	10.9	-154	158.6	0	0	0	111.3
762	V	38	Very low	35	Very low	165 Å²	165	140.7 Å²	140.7	100%	1	82%	0.819	S	S	*	*			trans	70	0	177.3	-174.3	0	0	0	0	116.7	K599	K599-V762 WeakPolarHBondContact CE-OXT 3.28Å; K599-V762 VanDerWaalsContact NZ-C 3.31Å; K599-V762 PolarHBondContact NZ-O 3.46Å; K599-V762 VanDerWaalsContact NZ-O 3.07Å; K599-V762 PolarHBondContact NZ-OXT 3.1Å

Retrieved 762 of 762 residues in 198.6 ms (Link to these results)

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