A0A3Q0KGS8_SCHMA Loading...

Irx-related

AlphaFold DB , UniProt , Accession A0A3Q0KGS8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 689 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.9	Low	42.3	Very low	217 Å²	217	126.6 Å²	126.6	100%	1.069	75%	0.752	S	S	*	*				0	59.7	0	-58.9	174.5	-172.5	0	0	107.3
2	D	43.7	Very low	42.1	Very low	129 Å²	129	123 Å²	123	69%	0.69	74%	0.738	S	S	*	*				96.2	108.5	55.2	-57.8	-23	0	0	0	108.1
3	L	41.6	Very low	42.1	Very low	141 Å²	141	124.8 Å²	124.8	74%	0.738	74%	0.741	S	S	*	*				67.4	127.2	72.4	-63.5	166	0	0	0	110.3
4	D	50.3	Low	42.2	Very low	127 Å²	127	121.6 Å²	121.6	68%	0.679	73%	0.729	S	S	*	*			cis	-141.3	163.5	1	-92.9	-51.3	0	0	0	108.5
5	C	38.4	Very low	42.3	Very low	104 Å²	104	125.6 Å²	125.6	70%	0.703	74%	0.736	S	S	*	*				67.8	157.6	50.3	-136.4	0	0	0	0	115
6	T	41.8	Very low	42.3	Very low	121 Å²	121	123.1 Å²	123.1	74%	0.742	73%	0.728	S	S	*	*			trans	71.5	121.5	-168	72	0	0	0	0	115.3
7	T	39.4	Very low	42.3	Very low	118 Å²	118	123.5 Å²	123.5	72%	0.724	73%	0.726	S	S	*	*			cis	96.9	142.2	24.2	68.2	0	0	0	0	115.5
8	S	38.7	Very low	42.3	Very low	109 Å²	109	124.3 Å²	124.3	76%	0.762	72%	0.722	S	S	*	*			trans	76.9	127.7	163.7	88.6	0	0	0	0	114.1
9	S	36.8	Very low	42.7	Very low	105 Å²	105	126.4 Å²	126.4	73%	0.734	72%	0.724	S	S	*	*				82	134.3	72.8	-167.8	0	0	0	0	111
10	S	38.1	Very low	42.6	Very low	93 Å²	93	125.3 Å²	125.3	65%	0.65	72%	0.719	S	S	*	*			cis	-169.4	-162.9	-11.3	46.1	0	0	0	0	106.6
11	V	42.5	Very low	42.7	Very low	129 Å²	129	124.6 Å²	124.6	78%	0.782	72%	0.717	S	S	*	*			trans	69.7	138.5	162.8	168.6	0	0	0	0	115
12	S	40.6	Very low	42	Very low	83 Å²	83	122.3 Å²	122.3	58%	0.58	70%	0.704	S	S	*	*			cis	-166	178	-20.8	-90	0	0	0	0	106.7
13	D	41.6	Very low	41.8	Very low	146 Å²	146	121.2 Å²	121.2	78%	0.781	71%	0.706	S	S	*	*			trans	69	154.9	151.9	-71.2	-55.6	0	0	0	117.8
14	S	43.1	Very low	41.5	Very low	81 Å²	81	120 Å²	120	57%	0.566	71%	0.709	S	S	*	*			cis	-166	160	-27.4	-113.8	0	0	0	0	107.4
15	Q	43.5	Very low	41.4	Very low	181 Å²	181	119.7 Å²	119.7	85%	0.846	71%	0.714	S	S	*	*			trans	65.6	159.5	163.4	-67.2	162	16.7	0	0	115.7
16	S	43.6	Very low	41.3	Very low	86 Å²	86	120.3 Å²	120.3	60%	0.601	72%	0.715	S	S	*	*			cis	-171.6	158.6	-23.5	53.8	0	0	0	0	109.4
17	N	41.6	Very low	41.4	Very low	129 Å²	129	121.7 Å²	121.7	69%	0.69	72%	0.723	S	S	*	*			trans	68.5	156.4	156	-66.9	21.9	0	0	0	117
18	E	42.9	Very low	41.3	Very low	139 Å²	139	123.8 Å²	123.8	65%	0.65	73%	0.729	S	S	*	*			cis	-166.7	151.7	-14.6	-111.5	170.4	138.2	0	0	109.3
19	H	48.5	Very low	41.3	Very low	164 Å²	164	121.9 Å²	121.9	76%	0.759	73%	0.726	S	S	*	*			trans	61	156.1	149	-80.4	-66.5	0	0	0	119
20	T	42.2	Very low	41.4	Very low	103 Å²	103	126.8 Å²	126.8	63%	0.632	73%	0.73	S	S	*	*			cis	-159	145.7	-0.3	-129.9	0	0	0	0	112.3
21	V	44.1	Very low	41.2	Very low	112 Å²	112	130.2 Å²	130.2	68%	0.679	74%	0.736	S	S	*	*				47.3	134.5	124.5	165.3	0	0	0	0	118.9
22	E	38.4	Very low	40.8	Very low	169 Å²	169	132.3 Å²	132.3	79%	0.79	74%	0.743	S	S	*	*			cis	-170.1	-176	8.9	-128	175.8	-179	0	0	114.1
23	S	41.1	Very low	40.4	Very low	106 Å²	106	133.6 Å²	133.6	74%	0.741	75%	0.747	S	S	*	*			trans	87.7	118.1	149.9	-69.3	0	0	0	0	122.6
24	S	34.5	Very low	40	Very low	115 Å²	115	135.2 Å²	135.2	80%	0.804	75%	0.754	S	S	*	*			trans	-92.8	-165.8	168.5	-33.3	0	0	0	0	111
25	P	47.2	Very low	39.5	Very low	120 Å²	120	142 Å²	142	78%	0.779	77%	0.767	S	S	*	*			cis	-148.3	156.8	35.9	41.8	-19.4	0	0	0	121
26	T	37.5	Very low	39	Very low	117 Å²	117	138.9 Å²	138.9	72%	0.718	77%	0.765	S	S	*	*			trans	17.2	125.3	137.7	-44.1	0	0	0	0	123.2
27	V	44.4	Very low	38.5	Very low	151 Å²	151	140.2 Å²	140.2	92%	0.915	77%	0.772	S	S	*	*			trans	-141.1	156.8	136.1	-178.9	0	0	0	0	109.1
28	L	37.2	Very low	37.9	Very low	161 Å²	161	141.1 Å²	141.1	84%	0.843	78%	0.783	S	S	*	*			trans	-95.4	160.2	-168.1	-64.4	160.2	0	0	0	114.8
29	G	38.7	Very low	37.3	Very low	69 Å²	69	137.4 Å²	137.4	71%	0.711	78%	0.782	S	S	*	*			trans	-177.4	63.7	176.4	0	0	0	0	0	118.5
30	Y	37.5	Very low	36.4	Very low	209 Å²	209	136.5 Å²	136.5	82%	0.82	79%	0.787	S	S	*	*			trans	42.3	105	154.9	-57.8	-78	0	0	0	122.4
31	E	34.1	Very low	36	Very low	164 Å²	164	139.8 Å²	139.8	77%	0.766	80%	0.795	S	S	*	*			trans	31.4	119.1	132.4	-59.4	-176.9	124.4	0	0	121.7
32	N	35.5	Very low	35.3	Very low	173 Å²	173	142.1 Å²	142.1	93%	0.925	80%	0.799	S	S	*	*				-150.9	134	107.1	-122.4	-32.6	0	0	0	110.4
33	T	31.7	Very low	34.9	Very low	110 Å²	110	145 Å²	145	68%	0.675	80%	0.804	S	S	*	*			trans	-125.1	109.8	-163.2	-54.5	0	0	0	0	113.1
34	I	33.9	Very low	34.3	Very low	181 Å²	181	144 Å²	144	93%	0.928	80%	0.796	S	S	*	*			trans	-127.4	117.4	150	-61.6	-176.5	0	0	0	107.8
35	R	31.1	Very low	34	Very low	222 Å²	222	146.3 Å²	146.3	84%	0.838	80%	0.8	S	S	*	*			trans	-114.5	131.3	-176.1	177.2	-174	-177.5	178.2	2.3	108.2	P37	R35-P37 WeakPolarHBondContact O-CD 3.23Å
36	S	34.4	Very low	33.3	Very low	116 Å²	116	148.1 Å²	148.1	81%	0.811	80%	0.802	S	S	*	*			trans	-60.8	139.3	173.5	-43.1	0	0	0	0	111.7
37	P	32.6	Very low	32.9	Very low	114 Å²	114	153.3 Å²	153.3	74%	0.74	81%	0.81	S	S	*	*			trans	-117.4	111.6	153.5	31.7	-17.6	0	0	0	110.3	R35 G39	R35-P37 WeakPolarHBondContact O-CD 3.23Å; P37-G39 PolarHBondContact O-N 3.44Å; P37-G39 VanDerWaalsContact O-N 3.09Å
38	T	29	Very low	32.2	Very low	149 Å²	149	153.2 Å²	153.2	91%	0.914	81%	0.805	S	S	*	*			trans	-60.7	104.6	150.4	44.4	0	0	0	0	107.7
39	G	30.6	Very low	31.8	Very low	61 Å²	61	153.4 Å²	153.4	63%	0.629	81%	0.807	S	S	*	*			trans	-132.5	77.7	-172.6	0	0	0	0	0	112.1	P37 E41	P37-G39 PolarHBondContact O-N 3.44Å; P37-G39 VanDerWaalsContact O-N 3.09Å; G39-E41 PolarHBondContact O-N 3.3Å
40	V	29.6	Very low	31.5	Very low	144 Å²	144	161.8 Å²	161.8	87%	0.873	82%	0.817	S	S	*	*			trans	-85.2	91.7	168.8	180	0	0	0	0	107.6
41	E	32.9	Very low	31.1	Very low	172 Å²	172	157.1 Å²	157.1	80%	0.804	81%	0.814	S	S	*	*			trans	-111.6	127.6	173.3	-66.3	-154.9	155.6	0	0	111.7	G39 Y43	G39-E41 PolarHBondContact O-N 3.3Å; E41-Y43 PolarHBondContact O-N 2.61Å
42	H	30.1	Very low	30.9	Very low	162 Å²	162	157.5 Å²	157.5	75%	0.75	82%	0.822	S	S	*	*			trans	-70.1	115.1	177.8	-92.2	-105.7	0	0	0	111	S44	H42-S44 PolarHBondContact O-N 3.01Å
43	Y	28.7	Very low	30.8	Very low	230 Å²	230	159.5 Å²	159.5	90%	0.902	82%	0.822	S	S	*	*			trans	-91.9	79.8	153.3	-95	-81.6	0	0	0	110	E41	E41-Y43 PolarHBondContact O-N 2.61Å
44	S	28.4	Very low	30.9	Very low	83 Å²	83	162 Å²	162	58%	0.58	83%	0.83	S	S	*	*			trans	-141.2	83.1	172.7	-57.2	0	0	0	0	108.5	H42	H42-S44 PolarHBondContact O-N 3.01Å
45	D	29.9	Very low	30.8	Very low	164 Å²	164	157.7 Å²	157.7	88%	0.877	82%	0.821	S	S	*	*			trans	-175.9	71.6	166	-103.1	-18.5	0	0	0	112.4
46	L	31.4	Very low	31	Very low	159 Å²	159	153.8 Å²	153.8	83%	0.832	82%	0.822	S	S	*	*	S	Bend	trans	-150.8	140.2	156.3	-80.3	-172.1	0	0	0	110
47	Y	28.8	Very low	30.9	Very low	225 Å²	225	157.5 Å²	157.5	88%	0.882	83%	0.827	S	S	*	*	S	Bend	trans	73.8	49.8	179.6	-64.7	-82	0	0	0	118.2
48	D	31.3	Very low	31	Very low	150 Å²	150	159.1 Å²	159.1	80%	0.802	83%	0.829	S	S	*	*			trans	-138.9	103.9	137.4	-141.4	-21.3	0	0	0	111.7
49	N	28.8	Very low	31.3	Very low	164 Å²	164	157.1 Å²	157.1	88%	0.877	82%	0.819	S	S	*	*			trans	-176.2	64.9	175.4	-113.6	-65.3	0	0	0	112.6
50	R	30.7	Very low	31.3	Very low	246 Å²	246	164.6 Å²	164.6	93%	0.928	83%	0.828	S	S	*	*			trans	-148.1	21.3	167.6	-125.6	176.6	-160.7	-162.5	4.7	118.3
51	S	29.9	Very low	31.5	Very low	110 Å²	110	165.2 Å²	165.2	77%	0.769	83%	0.826	S	S	*	*	S	Bend	trans	-131.6	85.3	168	-70.6	0	0	0	0	110.3
52	N	29.6	Very low	31.3	Very low	172 Å²	172	164.9 Å²	164.9	92%	0.92	83%	0.83	S	S	*	*			trans	162.5	89.3	153.8	-86.8	-28.6	0	0	0	110
53	K	34.3	Very low	31.3	Very low	216 Å²	216	165.1 Å²	165.1	94%	0.939	84%	0.836	S	S	*	*			trans	-129.9	103.9	155.5	-161.5	166.2	-173.6	175.5	0	110.2
54	I	33.6	Very low	31.3	Very low	163 Å²	163	160.2 Å²	160.2	84%	0.836	82%	0.821	S	S	*	*			trans	-31.7	142.1	177.7	-66.2	157.3	0	0	0	114.1
55	A	30.7	Very low	31.3	Very low	89 Å²	89	161.2 Å²	161.2	74%	0.736	83%	0.828	S	S	*	*			trans	-70.7	145.5	179.9	0	0	0	0	0	113.7
56	T	34.9	Very low	31.1	Very low	141 Å²	141	158.3 Å²	158.3	87%	0.865	82%	0.821	S	S	*	*			trans	-141.1	135	153.9	45.9	0	0	0	0	107.2
57	E	32.4	Very low	31.2	Very low	193 Å²	193	157.1 Å²	157.1	90%	0.902	82%	0.82	S	S	*	*			trans	-84.6	145.3	-170.2	-54.1	176.8	143.9	0	0	112.9
58	D	35.2	Very low	31.2	Very low	149 Å²	149	152.6 Å²	152.6	80%	0.797	81%	0.811	S	S	*	*			trans	-150.5	111.2	153.1	-169.8	-5	0	0	0	110.3	R60	D58-R60 PolarHBondContact O-N 3.27Å
59	P	34.4	Very low	31.1	Very low	107 Å²	107	154.5 Å²	154.5	70%	0.695	82%	0.815	S	S	*	*			trans	-95.4	88.1	-173.2	35.7	-33.9	0	0	0	113.6
60	R	31.3	Very low	31.1	Very low	218 Å²	218	151.4 Å²	151.4	82%	0.823	81%	0.806	S	S	*	*			trans	-165.5	105.1	153.4	-93	127.4	-166.6	-160.6	7	113.7	D58	D58-R60 PolarHBondContact O-N 3.27Å
61	N	33.2	Very low	31	Very low	157 Å²	157	143.5 Å²	143.5	84%	0.84	80%	0.801	S	S	*	*				165	123.7	108.7	-85.2	-40.2	0	0	0	111.7
62	N	29	Very low	30.9	Very low	165 Å²	165	148.6 Å²	148.6	88%	0.882	81%	0.805	S	S	*	*			trans	-73.6	129.3	166.6	-71	-50.7	0	0	0	110.1
63	L	31.7	Very low	30.8	Very low	166 Å²	166	145.8 Å²	145.8	87%	0.869	80%	0.799	S	S	*	*			trans	-146.7	144.3	145.5	-149.3	71.2	0	0	0	110.7
64	E	27.4	Very low	30.4	Very low	127 Å²	127	140.2 Å²	140.2	59%	0.593	79%	0.788	S	S	*	*			trans	-64.4	148.5	-174.5	-57.6	155.8	127.6	0	0	110.8	K575	E64-K575 IonicContact OE1-NZ 3.84Å; E64-K575 PolarHBondContact OE1-NZ 3.01Å
65	S	28.4	Very low	30.1	Very low	104 Å²	104	141.6 Å²	141.6	73%	0.727	78%	0.783	S	S	*	*				176.2	158.7	79.8	39.3	0	0	0	0	113.2
66	S	26.7	Very low	30	Very low	104 Å²	104	143.7 Å²	143.7	73%	0.727	79%	0.791	S	S	*	*			trans	-17.7	123.4	165.4	53.2	0	0	0	0	118.3
67	V	33	Very low	29.5	Very low	133 Å²	133	143.3 Å²	143.3	81%	0.806	78%	0.784	S	S	*	*			trans	-124.7	109.2	153	-177.7	0	0	0	0	109.1	E69	V67-E69 PolarHBondContact O-N 2.96Å
68	N	28	Very low	29.3	Very low	130 Å²	130	144.9 Å²	144.9	70%	0.695	78%	0.783	S	S	*	*			trans	-79.9	108	179.3	32.2	-96.8	0	0	0	111.4	S70	N68-S70 VanDerWaalsContact C-N 3.34Å; N68-S70 PolarHBondContact O-N 3.43Å
69	E	29.8	Very low	29	Very low	191 Å²	191	142.3 Å²	142.3	89%	0.893	78%	0.777	S	S	*	*			trans	-75.9	73.9	178.7	-66.5	-164.1	121.4	0	0	113.4	V67 G71	V67-E69 PolarHBondContact O-N 2.96Å; E69-G71 PolarHBondContact O-N 3.02Å; E69-G71 VanDerWaalsContact O-N 3.12Å
70	S	29.7	Very low	28.6	Very low	99 Å²	99	147.5 Å²	147.5	69%	0.692	78%	0.784	S	S	*	*			trans	-76.9	88.9	161.9	57.8	0	0	0	0	109.6	N68 Y72	N68-S70 VanDerWaalsContact C-N 3.34Å; N68-S70 PolarHBondContact O-N 3.43Å; S70-Y72 PolarHBondContact O-N 2.85Å
71	G	27.8	Very low	28.4	Very low	80 Å²	80	144 Å²	144	83%	0.825	78%	0.78	S	S	*	*			trans	-67.7	42.8	-172.6	0	0	0	0	0	117.4	E69 S73	E69-G71 PolarHBondContact O-N 3.02Å; E69-G71 VanDerWaalsContact O-N 3.12Å; G71-S73 PolarHBondContact O-N 3.22Å
72	Y	26.9	Very low	28	Very low	216 Å²	216	140.9 Å²	140.9	85%	0.847	77%	0.771	S	S	*	*			trans	-84.2	97.7	174.2	-102.6	-92.7	0	0	0	111.3	S70 S74	S70-Y72 PolarHBondContact O-N 2.85Å; Y72-S74 VanDerWaalsContact C-N 3.31Å; Y72-S74 PolarHBondContact O-N 2.94Å
73	S	28.3	Very low	28	Very low	113 Å²	113	138.5 Å²	138.5	79%	0.79	76%	0.762	S	S	*	*			trans	-78.8	75.8	174.9	-167.8	0	0	0	0	111.7	G71 Y75	G71-S73 PolarHBondContact O-N 3.22Å; S73-Y75 PolarHBondContact O-N 3.01Å
74	S	26.9	Very low	27.8	Very low	100 Å²	100	139.3 Å²	139.3	70%	0.699	76%	0.762	S	S	*	*			trans	-90.4	82.2	174.4	63.5	0	0	0	0	111.3	Y72	Y72-S74 VanDerWaalsContact C-N 3.31Å; Y72-S74 PolarHBondContact O-N 2.94Å
75	Y	26.9	Very low	27.9	Very low	191 Å²	191	140.8 Å²	140.8	75%	0.749	77%	0.774	S	S	*	*			trans	-124.1	74.1	175.3	-94.8	-89.5	0	0	0	112.2	S73	S73-Y75 PolarHBondContact O-N 3.01Å
76	C	28	Very low	27.9	Very low	133 Å²	133	140.1 Å²	140.1	90%	0.899	77%	0.774	S	S	*	*			trans	-125.7	82	158.2	-70.3	0	0	0	0	107.4
77	N	24	Very low	28	Very low	133 Å²	133	142.7 Å²	142.7	71%	0.711	78%	0.778	S	S	*	*			trans	-118.1	60.1	-177.8	-166.6	90	0	0	0	109.8
78	Y	29.4	Very low	27.8	Very low	226 Å²	226	142 Å²	142	89%	0.886	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-88.4	116	168.9	-92.2	-87.9	0	0	0	109
79	S	29.1	Very low	27.9	Very low	96 Å²	96	144.9 Å²	144.9	67%	0.671	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-67.7	129.8	176.3	-54.9	0	0	0	0	110	I81	S79-I81 PolarHBondContact O-N 3.03Å
80	Y	25.4	Very low	27.8	Very low	215 Å²	215	141.2 Å²	141.2	84%	0.843	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-58	127.9	159.8	-103.7	-107.7	0	0	0	109.1
81	I	26.9	Very low	27.9	Very low	145 Å²	145	145.7 Å²	145.7	74%	0.744	79%	0.786	S	S	*	*			trans	-118.4	96.7	154.2	-64	-180	0	0	0	105.1	S79 T83	S79-I81 PolarHBondContact O-N 3.03Å; I81-T83 HydrophobicContact CG2-CG2 4.13Å; I81-T83 PolarHBondContact O-N 3.46Å
82	S	24.8	Very low	27.9	Very low	91 Å²	91	151 Å²	151	64%	0.636	79%	0.789	S	S	*	*			trans	-75.6	114.3	166.4	-61.7	0	0	0	0	108.2
83	T	28.8	Very low	28.1	Very low	115 Å²	115	146 Å²	146	71%	0.706	79%	0.785	S	S	*	*			trans	-126.8	78.6	158.5	51	0	0	0	0	107.7	I81 D85	I81-T83 HydrophobicContact CG2-CG2 4.13Å; I81-T83 PolarHBondContact O-N 3.46Å; T83-D85 VanDerWaalsContact C-N 3.27Å; T83-D85 PolarHBondContact O-N 2.96Å; T83-D85 VanDerWaalsContact O-N 3.13Å
84	E	27.5	Very low	28.1	Very low	184 Å²	184	148.1 Å²	148.1	86%	0.86	78%	0.783	S	S	*	*			trans	-65.8	95.1	151.6	-65.9	176	140.3	0	0	106.5
85	D	28.9	Very low	28.1	Very low	158 Å²	158	148.9 Å²	148.9	85%	0.845	78%	0.779	S	S	*	*			trans	-174.1	152.2	154.9	-103.7	-32.1	0	0	0	112.2	T83	T83-D85 VanDerWaalsContact C-N 3.27Å; T83-D85 PolarHBondContact O-N 2.96Å; T83-D85 VanDerWaalsContact O-N 3.13Å
86	A	29.4	Very low	28.1	Very low	89 Å²	89	147 Å²	147	74%	0.736	78%	0.777	S	S	*	*			trans	54.8	75.4	163.9	0	0	0	0	0	119
87	I	28.8	Very low	28.1	Very low	159 Å²	159	149 Å²	149	82%	0.815	77%	0.771	S	S	*	*			trans	-83.4	128.5	147.2	-63.7	169.7	0	0	0	108.7
88	P	29	Very low	28.3	Very low	119 Å²	119	147.6 Å²	147.6	77%	0.773	77%	0.77	S	S	*	*			trans	-108.6	151.4	140.9	-10.8	29.8	0	0	0	112.1
89	K	29.6	Very low	28.1	Very low	189 Å²	189	144.4 Å²	144.4	82%	0.822	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-97.9	166.4	174.8	-103.3	-172.4	-178.2	-172.9	0	111
90	P	28.5	Very low	28	Very low	115 Å²	115	147.5 Å²	147.5	75%	0.747	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-76.3	159.1	-162.9	31.9	-37.6	0	0	0	113.8
91	E	30.8	Very low	28.2	Very low	192 Å²	192	141.5 Å²	141.5	90%	0.897	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-97.7	126.4	164.3	-67.2	-170.3	136.4	0	0	110
92	E	28.2	Very low	28.3	Very low	193 Å²	193	140.9 Å²	140.9	90%	0.902	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-93.3	124.1	171.2	-66.1	179.3	132.9	0	0	109.9
93	S	31.4	Very low	28.4	Very low	109 Å²	109	145.7 Å²	145.7	76%	0.762	79%	0.79	S	S	*	*			trans	-161.9	144.5	160.8	55	0	0	0	0	109.4
94	E	29	Very low	28.5	Very low	158 Å²	158	145.3 Å²	145.3	74%	0.738	79%	0.792	S	S	*	*			cis	-153.5	154.7	-13.3	-120	-166.4	137	0	0	108.9
95	N	26.6	Very low	28.4	Very low	117 Å²	117	142.9 Å²	142.9	63%	0.626	78%	0.784	S	S	*	*			trans	44	113.5	147.9	-54.4	-30.6	0	0	0	120.1
96	Q	26.7	Very low	28.4	Very low	150 Å²	150	146.2 Å²	146.2	70%	0.701	79%	0.786	S	S	*	*				149	149.5	96.2	-153.1	69.7	-1.1	0	0	113.9
97	F	28	Very low	28.3	Very low	177 Å²	177	148.8 Å²	148.8	78%	0.776	79%	0.793	S	S	*	*			trans	84	117.5	165.2	-72.6	-74.4	0	0	0	121.2
98	C	26.9	Very low	28.3	Very low	102 Å²	102	145.5 Å²	145.5	69%	0.689	79%	0.79	S	S	*	*			trans	33.5	111.6	145.3	-59.8	0	0	0	0	119.1
99	I	25.6	Very low	28.3	Very low	159 Å²	159	145.3 Å²	145.3	82%	0.815	79%	0.788	S	S	*	*				56	103.5	74.6	-56.9	169	0	0	0	112
100	D	28.1	Very low	28.1	Very low	162 Å²	162	147.6 Å²	147.6	87%	0.866	79%	0.793	S	S	*	*			trans	-160.3	165.3	135.8	-125.5	-32.5	0	0	0	113.1
101	A	28.4	Very low	28.2	Very low	89 Å²	89	148.4 Å²	148.4	74%	0.736	80%	0.796	S	S	*	*	S	Bend	trans	59.3	61.9	161.4	0	0	0	0	0	120.7
102	C	29.5	Very low	28.1	Very low	131 Å²	131	144.2 Å²	144.2	89%	0.885	79%	0.788	S	S	*	*			trans	-153.5	59.2	150.4	-107.1	0	0	0	0	114.1
103	H	26.7	Very low	28.1	Very low	192 Å²	192	144 Å²	144	89%	0.889	79%	0.787	S	S	*	*			trans	-143.7	109.5	170.3	-103.5	-63.3	0	0	0	112.5
104	S	30.1	Very low	28	Very low	108 Å²	108	146 Å²	146	76%	0.755	79%	0.789	S	S	*	*			trans	-155.8	90.1	154	-164.8	0	0	0	0	107.1
105	I	26.9	Very low	28.1	Very low	133 Å²	133	146.7 Å²	146.7	68%	0.682	80%	0.797	S	S	*	*				62	94.8	100.7	-58.9	162.6	0	0	0	111.7
106	Y	29.1	Very low	28.2	Very low	227 Å²	227	147 Å²	147	89%	0.89	80%	0.803	S	S	*	*				-159.1	103.2	123.3	-107.9	-68.3	0	0	0	110.3
107	T	26.3	Very low	28.2	Very low	143 Å²	143	146.9 Å²	146.9	88%	0.877	81%	0.807	S	S	*	*			trans	-93.3	122.8	165.9	34	0	0	0	0	109.1
108	A	29	Very low	28.3	Very low	91 Å²	91	143.9 Å²	143.9	75%	0.752	80%	0.804	S	S	*	*			trans	-120.4	144	172.3	0	0	0	0	0	109.7
109	P	28.6	Very low	28.4	Very low	115 Å²	115	145.2 Å²	145.2	75%	0.747	81%	0.809	S	S	*	*			trans	-90.8	161.9	-162.8	35.3	-37.3	0	0	0	115.1	V111	P109-V111 PolarHBondContact O-N 3.48Å
110	Y	25.8	Very low	28.4	Very low	236 Å²	236	143.3 Å²	143.3	93%	0.925	81%	0.808	S	S	*	*			trans	-46.3	128.5	163.5	-120.3	-107.2	0	0	0	112.5
111	V	30.4	Very low	28.4	Very low	132 Å²	132	146.8 Å²	146.8	80%	0.8	81%	0.809	S	S	*	*			trans	-139	134.2	162.7	-177.6	0	0	0	0	108	P109	P109-V111 PolarHBondContact O-N 3.48Å
112	S	28.7	Very low	28.2	Very low	105 Å²	105	151.2 Å²	151.2	73%	0.734	81%	0.814	S	S	*	*			trans	-76.6	139.3	-171.1	-52.4	0	0	0	0	113.7	N114	S112-N114 PolarHBondContact O-N 2.9Å
113	E	29.2	Very low	28.2	Very low	189 Å²	189	150.1 Å²	150.1	88%	0.883	80%	0.804	S	S	*	*			trans	-65.9	116.2	164.9	-64.4	-175.5	133	0	0	110.5
114	N	29.1	Very low	28	Very low	151 Å²	151	149.9 Å²	149.9	81%	0.807	80%	0.803	S	S	*	*			trans	-164.8	73	164.1	-119.7	-28.3	0	0	0	112.4	S112	S112-N114 PolarHBondContact O-N 2.9Å
115	L	31.2	Very low	27.9	Very low	172 Å²	172	152.3 Å²	152.3	90%	0.901	80%	0.8	S	S	*	*			trans	-161.3	139.9	135.2	-132.5	68.7	0	0	0	111.4
116	T	27.3	Very low	28.1	Very low	123 Å²	123	151.4 Å²	151.4	76%	0.755	80%	0.801	S	S	*	*			trans	-91	171.7	174.2	49	0	0	0	0	111.6
117	N	27.7	Very low	28.1	Very low	147 Å²	147	148.8 Å²	148.8	79%	0.786	80%	0.802	S	S	*	*			trans	87	145.2	160.1	-95.7	-25.7	0	0	0	121.4
118	T	29.6	Very low	28.6	Very low	115 Å²	115	147.3 Å²	147.3	71%	0.706	79%	0.789	S	S	*	*			trans	74.1	99	150.9	44.6	0	0	0	0	121.6
119	T	29.3	Very low	29.1	Very low	129 Å²	129	149.1 Å²	149.1	79%	0.791	79%	0.786	S	S	*	*				63.3	98.4	128.6	57.7	0	0	0	0	120.6
120	C	24.9	Very low	29.7	Very low	119 Å²	119	150 Å²	150	80%	0.804	78%	0.784	S	S	*	*			trans	23	122.1	132.5	-169.8	0	0	0	0	119.5
121	R	27.9	Very low	30.4	Very low	235 Å²	235	144 Å²	144	89%	0.887	77%	0.765	S	S	*	*			trans	-143.8	154.2	147.1	-112.7	176.3	-179.2	165.6	1.4	110.5
122	H	24.3	Very low	30.8	Very low	183 Å²	183	140.2 Å²	140.2	85%	0.847	74%	0.742	S	S	*	*			trans	-62.9	146.3	174	-70.3	0.4	0	0	0	111.2
123	V	29.3	Very low	31.3	Very low	108 Å²	108	140.1 Å²	140.1	66%	0.655	74%	0.737	S	S	*	*			trans	-136.8	113.6	169.8	177.7	0	0	0	0	106.6	F125	V123-F125 HydrophobicContact CG1-CD2 3.25Å; V123-F125 HydrophobicContact CG1-CE2 3.27Å; V123-F125 HydrophobicContact CG1-CG 4.16Å; V123-F125 HydrophobicContact CG1-CZ 4.21Å
124	E	23.9	Very low	31.9	Very low	186 Å²	186	134.6 Å²	134.6	87%	0.869	72%	0.719	S	S	*	*			trans	-85.4	122.6	168.5	-60.5	171	126.2	0	0	107.5
125	F	28.4	Very low	32.2	Very low	160 Å²	160	129.5 Å²	129.5	70%	0.702	70%	0.698	S	S	*	*			trans	-137.4	162	166.2	-81.7	-47.3	0	0	0	113	V123	V123-F125 HydrophobicContact CG1-CD2 3.25Å; V123-F125 HydrophobicContact CG1-CE2 3.27Å; V123-F125 HydrophobicContact CG1-CG 4.16Å; V123-F125 HydrophobicContact CG1-CZ 4.21Å
126	T	29.9	Very low	32.6	Very low	114 Å²	114	124.6 Å²	124.6	70%	0.699	68%	0.675	S	S	*	*			trans	-93.1	160.7	-159.1	44	0	0	0	0	113.2	D128	T126-D128 PolarHBondContact O-N 3.05Å
127	N	29.5	Very low	33.2	Very low	172 Å²	172	121.4 Å²	121.4	92%	0.92	66%	0.661	S	S	*	*			trans	-57.5	94.1	178.9	-78.8	-10.9	0	0	0	113.4
128	D	36.1	Very low	33.8	Very low	112 Å²	112	117.4 Å²	117.4	60%	0.599	64%	0.644	S	S	*	*			trans	-132.8	122.6	161.9	-96	-51.4	0	0	0	110.2	T126 N130 E131	T126-D128 PolarHBondContact O-N 3.05Å; D128-N130 PolarHBondContact O-N 2.88Å; D128-E131 PolarHBondContact O-N 3.5Å
129	N	40.6	Very low	34.2	Very low	128 Å²	128	115.5 Å²	115.5	68%	0.684	63%	0.629	S	S	*	*	H	α-helix	trans	-66.1	-0.5	-167.7	-66.7	-47.1	0	0	0	115.5	T132	N129-T132 PolarHBondContact O-OG1 3.08Å
130	N	41.6	Very low	34.9	Very low	133 Å²	133	112.3 Å²	112.3	71%	0.711	61%	0.609	S	S	*	*	H	α-helix	trans	-87	-27	177.4	-66.8	-29.9	0	0	0	112.4	D128 V133 S134	D128-N130 PolarHBondContact O-N 2.88Å; N130-V133 PolarHBondContact O-N 3.27Å; N130-S134 PolarHBondContact O-N 3.18Å
131	E	39.7	Very low	35.6	Very low	111 Å²	111	111.2 Å²	111.2	52%	0.519	60%	0.596	S	S	.	*	H	α-helix	trans	-71.6	-33.4	-178.7	-65.1	-156.2	155.1	0	0	112.3	D128 V133 S134 A135	D128-E131 PolarHBondContact O-N 3.5Å; E131-V133 VanDerWaalsContact C-N 3.32Å; E131-V133 PolarHBondContact O-N 3.01Å; E131-S134 PolarHBondContact O-N 3.39Å; E131-A135 WeakPolarHBondContact O-CB 3.32Å; E131-A135 PolarHBondContact O-N 3.11Å
132	T	38.6	Very low	36.2	Very low	53 Å²	53	106.8 Å²	106.8	33%	0.325	59%	0.585	S	S	.	*	H	α-helix	trans	-61.2	-38.4	173.3	36.1	0	0	0	0	112.4	N129 A135 V136	N129-T132 PolarHBondContact O-OG1 3.08Å; T132-A135 PolarHBondContact O-N 2.84Å; T132-V136 WeakPolarHBondContact O-CB 3.21Å; T132-V136 WeakPolarHBondContact O-CG2 3.3Å; T132-V136 PolarHBondContact O-N 3.27Å
133	V	39	Very low	36.8	Very low	102 Å²	102	99.1 Å²	99.1	62%	0.618	56%	0.555	S	S	*	*	H	α-helix	trans	-66	-42.3	174.6	-176.3	0	0	0	0	110.8	N130 E131 V136 A137	N130-V133 PolarHBondContact O-N 3.27Å; E131-V133 VanDerWaalsContact C-N 3.32Å; E131-V133 PolarHBondContact O-N 3.01Å; V133-V136 PolarHBondContact O-N 2.83Å; V133-A137 WeakPolarHBondContact O-CB 3.37Å; V133-A137 PolarHBondContact O-N 3.38Å
134	S	42.2	Very low	37.3	Very low	74 Å²	74	99 Å²	99	52%	0.517	55%	0.554	S	S	.	*	H	α-helix	trans	-66.3	-37.9	176.8	-165.7	0	0	0	0	112.9	N130 E131 A137 S138	N130-S134 PolarHBondContact O-N 3.18Å; E131-S134 PolarHBondContact O-N 3.39Å; S134-A137 PolarHBondContact O-N 2.91Å; S134-S138 WeakPolarHBondContact O-CB 3.43Å; S134-S138 PolarHBondContact O-N 3.48Å; S134-S138 PolarHBondContact O-OG 2.87Å
135	A	36.2	Very low	38	Very low	44 Å²	44	95.8 Å²	95.8	36%	0.364	54%	0.543	S	S	.	.	H	α-helix	trans	-67	-45.8	175.5	0	0	0	0	0	111.6	E131 T132 S138 I139	E131-A135 WeakPolarHBondContact O-CB 3.32Å; E131-A135 PolarHBondContact O-N 3.11Å; T132-A135 PolarHBondContact O-N 2.84Å; A135-S138 PolarHBondContact O-N 3.31Å; A135-I139 VanDerWaalsContact O-CG1 3.29Å; A135-I139 WeakPolarHBondContact O-CG1 3.31Å; A135-I139 PolarHBondContact O-N 3.14Å
136	V	38.5	Very low	38.2	Very low	68 Å²	68	90.5 Å²	90.5	41%	0.412	53%	0.526	S	S	.	.	H	α-helix	trans	-61	-45.3	174.3	169.5	0	0	0	0	110.8	T132 V133 S138 I139 V140	T132-V136 WeakPolarHBondContact O-CB 3.21Å; T132-V136 WeakPolarHBondContact O-CG2 3.3Å; T132-V136 PolarHBondContact O-N 3.27Å; V133-V136 PolarHBondContact O-N 2.83Å; V136-S138 VanDerWaalsContact C-N 3.32Å; V136-S138 PolarHBondContact O-N 3.42Å; V136-I139 PolarHBondContact O-N 3.12Å; V136-V140 WeakPolarHBondContact O-CG2 3.44Å; V136-V140 PolarHBondContact O-N 3.04Å
137	A	39.7	Very low	38.2	Very low	57 Å²	57	92.3 Å²	92.3	47%	0.471	54%	0.542	S	S	.	.	H	α-helix	trans	-59.3	-41.3	174.8	0	0	0	0	0	112.2	V133 S134 V140 N141	V133-A137 WeakPolarHBondContact O-CB 3.37Å; V133-A137 PolarHBondContact O-N 3.38Å; S134-A137 PolarHBondContact O-N 2.91Å; A137-V140 PolarHBondContact O-N 2.76Å; A137-N141 VanDerWaalsContact O-CB 3.3Å; A137-N141 WeakPolarHBondContact O-CB 3.21Å; A137-N141 PolarHBondContact O-N 3.07Å
138	S	39.8	Very low	38.4	Very low	62 Å²	62	87.5 Å²	87.5	43%	0.434	52%	0.522	S	S	.	.	H	α-helix	trans	-67.8	-39.4	178.2	-59.5	0	0	0	0	112.7	S134 A135 V136 N141 H142	S134-S138 WeakPolarHBondContact O-CB 3.43Å; S134-S138 PolarHBondContact O-N 3.48Å; S134-S138 PolarHBondContact O-OG 2.87Å; A135-S138 PolarHBondContact O-N 3.31Å; V136-S138 VanDerWaalsContact C-N 3.32Å; V136-S138 PolarHBondContact O-N 3.42Å; S138-N141 PolarHBondContact O-N 3.41Å; S138-H142 WeakPolarHBondContact O-CB 3.35Å; S138-H142 PolarHBondContact O-N 3.42Å
139	I	39	Very low	38.4	Very low	75 Å²	75	92.1 Å²	92.1	39%	0.385	53%	0.532	S	S	.	.	H	α-helix	trans	-65.1	-43.5	175.6	-69.8	163.7	0	0	0	110.6	A135 V136 G143 T158	A135-I139 VanDerWaalsContact O-CG1 3.29Å; A135-I139 WeakPolarHBondContact O-CG1 3.31Å; A135-I139 PolarHBondContact O-N 3.14Å; V136-I139 PolarHBondContact O-N 3.12Å; I139-G143 PolarHBondContact O-N 3.01Å; I139-T158 HydrophobicContact CD1-CG2 4.39Å
140	V	43.3	Very low	38.4	Very low	62 Å²	62	89.4 Å²	89.4	38%	0.376	52%	0.517	S	S	.	.	H	α-helix	trans	-62.7	-46.9	174.4	171.9	0	0	0	0	110.7	V136 A137 H142 G143 V144	V136-V140 WeakPolarHBondContact O-CG2 3.44Å; V136-V140 PolarHBondContact O-N 3.04Å; A137-V140 PolarHBondContact O-N 2.76Å; V140-H142 PolarHBondContact O-N 3.26Å; V140-G143 CarbonylContact O-C 3.59Å; V140-G143 WeakPolarHBondContact O-CA 3.34Å; V140-G143 PolarHBondContact O-N 3.43Å; V140-V144 HydrophobicContact CG1-CG2 4.31Å; V140-V144 WeakPolarHBondContact O-CG2 3.41Å; V140-V144 PolarHBondContact O-N 3.07Å
141	N	40.4	Very low	38.4	Very low	97 Å²	97	85.2 Å²	85.2	52%	0.519	50%	0.497	S	S	.	.	H	α-helix	trans	-65.5	-37.1	-178.4	-158.7	22.1	0	0	0	112.3	A137 S138 V144 N145	A137-N141 VanDerWaalsContact O-CB 3.3Å; A137-N141 WeakPolarHBondContact O-CB 3.21Å; A137-N141 PolarHBondContact O-N 3.07Å; S138-N141 PolarHBondContact O-N 3.41Å; N141-V144 PolarHBondContact O-N 2.83Å; N141-N145 WeakPolarHBondContact O-CB 3.38Å; N141-N145 PolarHBondContact O-N 3.36Å; N141-N145 PolarHBondContact O-ND2 3.15Å; N141-N145 VanDerWaalsContact O-ND2 3.09Å; N141-N145 PolarHBondContact OD1-ND2 3.41Å
142	H	39.8	Very low	38.5	Very low	142 Å²	142	81.3 Å²	81.3	66%	0.657	48%	0.481	S	S	*	.	H	α-helix	trans	-66.8	-35	170.3	-100.6	-68.9	0	0	0	113	S138 V140 S146	S138-H142 WeakPolarHBondContact O-CB 3.35Å; S138-H142 PolarHBondContact O-N 3.42Å; V140-H142 PolarHBondContact O-N 3.26Å; H142-S146 WeakPolarHBondContact O-CB 3.42Å; H142-S146 PolarHBondContact O-N 3.38Å; H142-S146 PolarHBondContact O-OG 3.41Å
143	G	38.1	Very low	38.5	Very low	22 Å²	22	82.1 Å²	82.1	23%	0.227	49%	0.489	C	S	.	.	H	α-helix	trans	-66.2	-41.1	173.8	0	0	0	0	0	113	I139 V140 S146	I139-G143 PolarHBondContact O-N 3.01Å; V140-G143 CarbonylContact O-C 3.59Å; V140-G143 WeakPolarHBondContact O-CA 3.34Å; V140-G143 PolarHBondContact O-N 3.43Å; G143-S146 PolarHBondContact O-N 2.97Å
144	V	38.8	Very low	38.7	Very low	105 Å²	105	81.5 Å²	81.5	64%	0.636	48%	0.482	S	S	*	.	H	α-helix	trans	-71	-37.7	178.7	172.9	0	0	0	0	111.9	V140 N141 S146	V140-V144 HydrophobicContact CG1-CG2 4.31Å; V140-V144 WeakPolarHBondContact O-CG2 3.41Å; V140-V144 PolarHBondContact O-N 3.07Å; N141-V144 PolarHBondContact O-N 2.83Å; V144-S146 PolarHBondContact O-N 3.14Å
145	N	38.2	Very low	38.7	Very low	119 Å²	119	80 Å²	80	64%	0.636	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	2.1	177.5	-68.6	-39.4	0	0	0	114.2	N141	N141-N145 WeakPolarHBondContact O-CB 3.38Å; N141-N145 PolarHBondContact O-N 3.36Å; N141-N145 PolarHBondContact O-ND2 3.15Å; N141-N145 VanDerWaalsContact O-ND2 3.09Å; N141-N145 PolarHBondContact OD1-ND2 3.41Å
146	S	32.7	Very low	39	Very low	49 Å²	49	81.4 Å²	81.4	34%	0.343	47%	0.468	S	S	.	.			trans	-115.5	114.1	178.4	-57.2	0	0	0	0	110.8	H142 G143 V144 S148	H142-S146 WeakPolarHBondContact O-CB 3.42Å; H142-S146 PolarHBondContact O-N 3.38Å; H142-S146 PolarHBondContact O-OG 3.41Å; G143-S146 PolarHBondContact O-N 2.97Å; V144-S146 PolarHBondContact O-N 3.14Å; S146-S148 PolarHBondContact O-N 2.81Å
147	C	30.2	Very low	39.2	Very low	151 Å²	151	81.8 Å²	81.8	100%	1.02	47%	0.47	S	S	*	.			trans	-71.1	37.9	175.8	-65.2	0	0	0	0	113.9
148	S	33.9	Very low	39.3	Very low	72 Å²	72	81.6 Å²	81.6	50%	0.503	46%	0.463	S	S	.	.	S	Bend	trans	-123.9	111.3	-175.2	56.1	0	0	0	0	110.3	S146 I150	S146-S148 PolarHBondContact O-N 2.81Å; S148-I150 PolarHBondContact O-N 3.2Å; S148-I150 VanDerWaalsContact O-N 3.11Å
149	Y	35.5	Very low	39.4	Very low	208 Å²	208	82.6 Å²	82.6	82%	0.816	47%	0.467	S	S	*	.			trans	-47.7	113.6	172.9	173.4	-92.7	0	0	0	111.6	P151	Y149-P151 HydrophobicContact CD1-CG 4.45Å; Y149-P151 HydrophobicContact CE1-CG 4.22Å
150	I	40.2	Very low	39.7	Very low	71 Å²	71	84.2 Å²	84.2	36%	0.364	48%	0.475	S	S	.	.			trans	-91.7	118.8	174.1	-56.7	-179.6	0	0	0	107.7	S148 V152 N154 M155	S148-I150 PolarHBondContact O-N 3.2Å; S148-I150 VanDerWaalsContact O-N 3.11Å; I150-V152 PolarHBondContact O-N 2.88Å; I150-N154 HydrophobicContact CG2-CB 4.24Å; I150-M155 HydrophobicContact CD1-CE 4.38Å; I150-M155 HydrophobicContact CG2-CG 4.02Å
151	P	43.1	Very low	39.9	Very low	45 Å²	45	86.7 Å²	86.7	29%	0.292	49%	0.486	S	S	.	.			trans	-60.7	138.4	176.8	-24.8	35.3	0	0	0	111.8	Y149 S153 N154 M155	Y149-P151 HydrophobicContact CD1-CG 4.45Å; Y149-P151 HydrophobicContact CE1-CG 4.22Å; P151-S153 PolarHBondContact O-N 2.94Å; P151-S153 VanDerWaalsContact O-N 3.11Å; P151-N154 WeakPolarHBondContact O-CB 3.47Å; P151-N154 PolarHBondContact O-N 3.33Å; P151-M155 PolarHBondContact O-N 2.89Å
152	V	40.7	Very low	40.4	Very low	30 Å²	30	88.1 Å²	88.1	18%	0.182	49%	0.489	C	S	.	.	H	α-helix	trans	-55	-32.8	179.8	179	0	0	0	0	112.1	I150 N154 M155 I156 L671 L676	I150-V152 PolarHBondContact O-N 2.88Å; V152-N154 VanDerWaalsContact C-N 3.29Å; V152-N154 PolarHBondContact O-N 3.46Å; V152-M155 PolarHBondContact O-N 2.83Å; V152-I156 HydrophobicContact CG1-CD1 3.73Å; V152-I156 HydrophobicContact CG1-CG1 4.2Å; V152-I156 WeakPolarHBondContact O-CG1 3.43Å; V152-I156 PolarHBondContact O-N 3.16Å; V152-L671 HydrophobicContact CG1-CD2 4.23Å; V152-L671 HydrophobicContact CG2-CD2 4.11Å; V152-L676 HydrophobicContact CG1-CD2 4.33Å
153	S	38.7	Very low	40.3	Very low	70 Å²	70	83.5 Å²	83.5	49%	0.49	47%	0.47	S	S	.	.	H	α-helix	trans	-53.6	-44.3	171.2	53.1	0	0	0	0	112.8	P151 I156 T157	P151-S153 PolarHBondContact O-N 2.94Å; P151-S153 VanDerWaalsContact O-N 3.11Å; S153-I156 PolarHBondContact O-N 2.65Å; S153-T157 WeakPolarHBondContact O-CB 3.48Å; S153-T157 PolarHBondContact O-N 2.78Å; S153-T157 PolarHBondContact O-OG1 3.49Å; S153-T157 VanDerWaalsContact O-OG1 3.08Å
154	N	43	Very low	40.3	Very low	88 Å²	88	93.1 Å²	93.1	47%	0.471	50%	0.501	S	S	.	.	H	α-helix	trans	-74.9	-35.9	-174.1	-61.6	17.5	0	0	0	110.3	I150 P151 V152 T158	I150-N154 HydrophobicContact CG2-CB 4.24Å; P151-N154 WeakPolarHBondContact O-CB 3.47Å; P151-N154 PolarHBondContact O-N 3.33Å; V152-N154 VanDerWaalsContact C-N 3.29Å; V152-N154 PolarHBondContact O-N 3.46Å; N154-T158 VanDerWaalsContact O-CB 3.26Å; N154-T158 WeakPolarHBondContact O-CB 3.08Å; N154-T158 PolarHBondContact O-N 2.91Å; N154-T158 PolarHBondContact O-OG1 2.94Å
155	M	43.5	Very low	40.4	Very low	42 Å²	42	89.7 Å²	89.7	21%	0.207	48%	0.48	C	S	.	.	H	α-helix	trans	-64.9	-47.6	170.5	-84.1	-170.6	165.5	0	0	111.3	I150 P151 V152 T157 T158 V159 L671	I150-M155 HydrophobicContact CD1-CE 4.38Å; I150-M155 HydrophobicContact CG2-CG 4.02Å; P151-M155 PolarHBondContact O-N 2.89Å; V152-M155 PolarHBondContact O-N 2.83Å; M155-T157 PolarHBondContact O-N 3.29Å; M155-T158 PolarHBondContact O-N 3.13Å; M155-V159 WeakPolarHBondContact O-CB 3.09Å; M155-V159 VanDerWaalsContact O-CG2 3.28Å; M155-V159 WeakPolarHBondContact O-CG2 3.28Å; M155-V159 PolarHBondContact O-N 3.45Å; M155-L671 HydrophobicContact SD-CD2 3.75Å; M155-L671 HydrophobicContact SD-CG 4.2Å
156	I	40.9	Very low	40.3	Very low	74 Å²	74	89.1 Å²	89.1	38%	0.379	48%	0.483	S	S	.	.	H	α-helix	trans	-61.5	-46.7	179.1	-69.8	174.6	0	0	0	111.2	V152 S153 T158 V159 I160	V152-I156 HydrophobicContact CG1-CD1 3.73Å; V152-I156 HydrophobicContact CG1-CG1 4.2Å; V152-I156 WeakPolarHBondContact O-CG1 3.43Å; V152-I156 PolarHBondContact O-N 3.16Å; S153-I156 PolarHBondContact O-N 2.65Å; I156-T158 PolarHBondContact O-N 3.5Å; I156-V159 PolarHBondContact O-N 2.98Å; I156-I160 HydrophobicContact CG2-CD1 3.65Å; I156-I160 HydrophobicContact CG2-CG1 4.39Å; I156-I160 WeakPolarHBondContact O-CB 3.37Å; I156-I160 VanDerWaalsContact O-CG1 3.3Å; I156-I160 WeakPolarHBondContact O-CG1 3.49Å; I156-I160 PolarHBondContact O-N 3.17Å
157	T	44	Very low	40.6	Very low	76 Å²	76	91.5 Å²	91.5	47%	0.466	50%	0.495	S	S	.	.	H	α-helix	trans	-62	-40.7	175.4	-60.8	0	0	0	0	112	S153 M155 N161	S153-T157 WeakPolarHBondContact O-CB 3.48Å; S153-T157 PolarHBondContact O-N 2.78Å; S153-T157 PolarHBondContact O-OG1 3.49Å; S153-T157 VanDerWaalsContact O-OG1 3.08Å; M155-T157 PolarHBondContact O-N 3.29Å; T157-N161 VanDerWaalsContact O-CB 3.23Å; T157-N161 WeakPolarHBondContact O-CB 3.44Å; T157-N161 PolarHBondContact O-N 3.26Å; T157-N161 PolarHBondContact O-ND2 3.45Å; T157-N161 PolarHBondContact O-OD1 3.17Å
158	T	42.5	Very low	40.9	Very low	53 Å²	53	87.9 Å²	87.9	33%	0.325	47%	0.469	S	S	.	.	H	α-helix	trans	-64.5	-45	175.5	-57.1	0	0	0	0	111.5	I139 N154 M155 I156 N161 H162	I139-T158 HydrophobicContact CD1-CG2 4.39Å; N154-T158 VanDerWaalsContact O-CB 3.26Å; N154-T158 WeakPolarHBondContact O-CB 3.08Å; N154-T158 PolarHBondContact O-N 2.91Å; N154-T158 PolarHBondContact O-OG1 2.94Å; M155-T158 PolarHBondContact O-N 3.13Å; I156-T158 PolarHBondContact O-N 3.5Å; T158-N161 PolarHBondContact O-N 3.18Å; T158-H162 WeakPolarHBondContact O-CB 3.2Å; T158-H162 PolarHBondContact O-CD2 2.84Å; T158-H162 VanDerWaalsContact O-CD2 3.29Å; T158-H162 PolarHBondContact O-N 3.33Å
159	V	40.1	Very low	40.9	Very low	83 Å²	83	87.1 Å²	87.1	50%	0.503	47%	0.466	S	S	.	.	H	α-helix	trans	-63.3	-43.9	179.1	166.9	0	0	0	0	111.2	M155 I156 N163	M155-V159 WeakPolarHBondContact O-CB 3.09Å; M155-V159 VanDerWaalsContact O-CG2 3.28Å; M155-V159 WeakPolarHBondContact O-CG2 3.28Å; M155-V159 PolarHBondContact O-N 3.45Å; I156-V159 PolarHBondContact O-N 2.98Å; V159-N163 VanDerWaalsContact O-CB 3.26Å; V159-N163 WeakPolarHBondContact O-CB 3.1Å; V159-N163 PolarHBondContact O-N 3.38Å; V159-N163 PolarHBondContact O-ND2 3.09Å
160	I	47.2	Very low	40.9	Very low	110 Å²	110	79 Å²	79	56%	0.564	44%	0.44	S	S	*	.	H	α-helix	trans	-65.3	-43.7	176.5	-69.7	170.4	0	0	0	111.1	I156	I156-I160 HydrophobicContact CG2-CD1 3.65Å; I156-I160 HydrophobicContact CG2-CG1 4.39Å; I156-I160 WeakPolarHBondContact O-CB 3.37Å; I156-I160 VanDerWaalsContact O-CG1 3.3Å; I156-I160 WeakPolarHBondContact O-CG1 3.49Å; I156-I160 PolarHBondContact O-N 3.17Å
161	N	46.8	Very low	40.8	Very low	114 Å²	114	79.8 Å²	79.8	61%	0.61	44%	0.442	S	S	*	.	H	α-helix	trans	-73.1	-28.7	-177.2	-68.7	-3	0	0	0	113.5	T157 T158	T157-N161 VanDerWaalsContact O-CB 3.23Å; T157-N161 WeakPolarHBondContact O-CB 3.44Å; T157-N161 PolarHBondContact O-N 3.26Å; T157-N161 PolarHBondContact O-ND2 3.45Å; T157-N161 PolarHBondContact O-OD1 3.17Å; T158-N161 PolarHBondContact O-N 3.18Å
162	H	49.7	Very low	40.4	Very low	126 Å²	126	83.8 Å²	83.8	58%	0.583	46%	0.455	S	S	*	.	H	α-helix	trans	-95.3	-23.1	179.2	-76.9	-89	0	0	0	114.3	T158 Y164	T158-H162 WeakPolarHBondContact O-CB 3.2Å; T158-H162 PolarHBondContact O-CD2 2.84Å; T158-H162 VanDerWaalsContact O-CD2 3.29Å; T158-H162 PolarHBondContact O-N 3.33Å; H162-Y164 PolarHBondContact O-N 3.44Å
163	N	38.5	Very low	40.3	Very low	46 Å²	46	85.4 Å²	85.4	25%	0.246	47%	0.468	C	S	.	.			trans	-97.7	60.9	177.3	-64.9	-85	0	0	0	111.7	V159 T165	V159-N163 VanDerWaalsContact O-CB 3.26Å; V159-N163 WeakPolarHBondContact O-CB 3.1Å; V159-N163 PolarHBondContact O-N 3.38Å; V159-N163 PolarHBondContact O-ND2 3.09Å; N163-T165 PolarHBondContact O-N 2.99Å
164	Y	37.9	Very low	40.2	Very low	224 Å²	224	87.6 Å²	87.6	88%	0.878	47%	0.469	S	S	*	.			trans	-75	41.9	168.4	-144	-88	0	0	0	111.9	H162	H162-Y164 PolarHBondContact O-N 3.44Å
165	T	40.3	Very low	39.9	Very low	33 Å²	33	87 Å²	87	20%	0.202	47%	0.465	C	S	.	.			trans	-98	118.8	175.5	52.7	0	0	0	0	108.9	N163 T167 V168	N163-T165 PolarHBondContact O-N 2.99Å; T165-T167 PolarHBondContact O-N 3.42Å; T165-V168 PolarHBondContact O-N 3.38Å
166	P	36.3	Very low	39.5	Very low	107 Å²	107	90.9 Å²	90.9	70%	0.695	48%	0.481	S	S	*	.	H	α-helix	trans	-64.7	-20	-170.5	24.2	-34	0	0	0	113.5	S170	P166-S170 WeakPolarHBondContact O-CB 3.22Å; P166-S170 PolarHBondContact O-N 3.07Å
167	T	38.8	Very low	39.3	Very low	98 Å²	98	92.1 Å²	92.1	60%	0.601	49%	0.488	S	S	*	.	H	α-helix	trans	-68.1	-44.3	176.9	16.3	0	0	0	0	113.7	T165 S170 E171	T165-T167 PolarHBondContact O-N 3.42Å; T167-S170 WeakPolarHBondContact O-CB 3.21Å; T167-S170 PolarHBondContact O-N 2.71Å; T167-E171 PolarHBondContact O-N 3.3Å; T167-E171 VanDerWaalsContact O-N 3.15Å
168	V	36.7	Very low	38.7	Very low	76 Å²	76	97.6 Å²	97.6	46%	0.461	50%	0.502	S	S	.	.	H	α-helix	trans	-73.3	-40.6	-178.5	-176.9	0	0	0	0	110.4	T165 S170 E171 F172	T165-V168 PolarHBondContact O-N 3.38Å; V168-S170 VanDerWaalsContact C-N 3.33Å; V168-S170 PolarHBondContact O-N 2.66Å; V168-E171 PolarHBondContact O-N 3.28Å; V168-F172 HydrophobicContact CG1-CD2 4.49Å; V168-F172 PolarHBondContact O-N 2.8Å
169	A	33.9	Very low	38.5	Very low	55 Å²	55	98.3 Å²	98.3	46%	0.455	50%	0.501	S	S	.	.	H	α-helix	trans	-61.3	-41	171.5	0	0	0	0	0	111.8	S173	A169-S173 WeakPolarHBondContact O-CB 3.33Å; A169-S173 PolarHBondContact O-N 3.48Å; A169-S173 PolarHBondContact O-OG 2.76Å
170	S	35.1	Very low	38.1	Very low	39 Å²	39	97.9 Å²	97.9	27%	0.273	50%	0.501	S	S	.	.	H	α-helix	trans	-54.3	-53.2	174.1	159.6	0	0	0	0	112.3	P166 T167 V168 S173 K174	P166-S170 WeakPolarHBondContact O-CB 3.22Å; P166-S170 PolarHBondContact O-N 3.07Å; T167-S170 WeakPolarHBondContact O-CB 3.21Å; T167-S170 PolarHBondContact O-N 2.71Å; V168-S170 VanDerWaalsContact C-N 3.33Å; V168-S170 PolarHBondContact O-N 2.66Å; S170-S173 PolarHBondContact O-N 2.72Å; S170-K174 WeakPolarHBondContact O-CB 3.4Å; S170-K174 VanDerWaalsContact O-CG 3.28Å; S170-K174 WeakPolarHBondContact O-CG 3.12Å; S170-K174 PolarHBondContact O-N 3.46Å; S170-K174 WeakPolarHBondContact OG-CE 3.27Å; S170-K174 PolarHBondContact OG-NZ 3.19Å
171	E	39.2	Very low	37.3	Very low	87 Å²	87	99 Å²	99	41%	0.407	51%	0.508	S	S	.	.	H	α-helix	trans	-69.1	-39	-175.6	-58.8	-35	104.9	0	0	112.4	T167 V168 S173 K174 I175	T167-E171 PolarHBondContact O-N 3.3Å; T167-E171 VanDerWaalsContact O-N 3.15Å; V168-E171 PolarHBondContact O-N 3.28Å; E171-S173 PolarHBondContact O-N 2.71Å; E171-K174 VanDerWaalsContact CD-NZ 3.31Å; E171-K174 PolarHBondContact O-N 3.24Å; E171-K174 WeakPolarHBondContact OE1-CE 3.36Å; E171-K174 IonicContact OE1-NZ 2.61Å; E171-K174 PolarHBondContact OE1-NZ 3.16Å; E171-K174 WeakPolarHBondContact OE2-CD 3.47Å; E171-K174 IonicContact OE2-NZ 2.68Å; E171-K174 PolarHBondContact OE2-NZ 3.11Å; E171-K174 VanDerWaalsContact OE2-NZ 3.11Å; E171-I175 WeakPolarHBondContact O-CB 3.32Å; E171-I175 WeakPolarHBondContact O-CD1 3.27Å; E171-I175 VanDerWaalsContact O-CG1 3.26Å; E171-I175 WeakPolarHBondContact O-CG1 3.39Å; E171-I175 PolarHBondContact O-N 2.84Å
172	F	34	Very low	36.7	Very low	128 Å²	128	98.5 Å²	98.5	56%	0.561	51%	0.509	S	S	*	.	H	α-helix	trans	-59.5	-46.8	171.3	-100.5	-90.3	0	0	0	111.9	V168 K174 I175 F176	V168-F172 HydrophobicContact CG1-CD2 4.49Å; V168-F172 PolarHBondContact O-N 2.8Å; F172-K174 PolarHBondContact O-N 3.42Å; F172-I175 PolarHBondContact O-N 2.96Å; F172-F176 HydrophobicContact CD1-CE2 4.32Å; F172-F176 WeakPolarHBondContact O-CD2 3.33Å; F172-F176 PolarHBondContact O-N 3.41Å; F172-F176 VanDerWaalsContact O-N 3.11Å
173	S	39.2	Very low	35.9	Very low	65 Å²	65	96.9 Å²	96.9	46%	0.455	50%	0.504	S	S	.	.	H	α-helix	trans	-64.9	-38.4	178.6	-64.3	0	0	0	0	113.1	A169 S170 E171 N177	A169-S173 WeakPolarHBondContact O-CB 3.33Å; A169-S173 PolarHBondContact O-N 3.48Å; A169-S173 PolarHBondContact O-OG 2.76Å; S170-S173 PolarHBondContact O-N 2.72Å; E171-S173 PolarHBondContact O-N 2.71Å; S173-N177 WeakPolarHBondContact O-CB 3.43Å; S173-N177 PolarHBondContact O-N 2.94Å; S173-N177 PolarHBondContact O-ND2 2.64Å
174	K	37.4	Very low	35.5	Very low	115 Å²	115	100.3 Å²	100.3	50%	0.5	53%	0.531	S	S	.	.	H	α-helix	trans	-62.1	-48.7	174.8	-74.5	167.8	-175.8	171.6	0	111.6	S170 E171 F172 F176 N177 Y178	S170-K174 WeakPolarHBondContact O-CB 3.4Å; S170-K174 VanDerWaalsContact O-CG 3.28Å; S170-K174 WeakPolarHBondContact O-CG 3.12Å; S170-K174 PolarHBondContact O-N 3.46Å; S170-K174 WeakPolarHBondContact OG-CE 3.27Å; S170-K174 PolarHBondContact OG-NZ 3.19Å; E171-K174 VanDerWaalsContact CD-NZ 3.31Å; E171-K174 PolarHBondContact O-N 3.24Å; E171-K174 WeakPolarHBondContact OE1-CE 3.36Å; E171-K174 IonicContact OE1-NZ 2.61Å; E171-K174 PolarHBondContact OE1-NZ 3.16Å; E171-K174 WeakPolarHBondContact OE2-CD 3.47Å; E171-K174 IonicContact OE2-NZ 2.68Å; E171-K174 PolarHBondContact OE2-NZ 3.11Å; E171-K174 VanDerWaalsContact OE2-NZ 3.11Å; F172-K174 PolarHBondContact O-N 3.42Å; K174-F176 VanDerWaalsContact C-N 3.31Å; K174-F176 PolarHBondContact O-N 3.32Å; K174-N177 PolarHBondContact O-N 3.32Å; K174-Y178 VanDerWaalsContact O-CB 3.32Å; K174-Y178 WeakPolarHBondContact O-CB 3.46Å; K174-Y178 PolarHBondContact O-N 2.89Å
175	I	36.5	Very low	35.1	Very low	76 Å²	76	95.4 Å²	95.4	39%	0.39	53%	0.525	S	S	.	.	H	α-helix	trans	-62.9	-39.3	-177.5	-68.6	166.4	0	0	0	111	E171 F172 Q179	E171-I175 WeakPolarHBondContact O-CB 3.32Å; E171-I175 WeakPolarHBondContact O-CD1 3.27Å; E171-I175 VanDerWaalsContact O-CG1 3.26Å; E171-I175 WeakPolarHBondContact O-CG1 3.39Å; E171-I175 PolarHBondContact O-N 2.84Å; F172-I175 PolarHBondContact O-N 2.96Å; I175-Q179 WeakPolarHBondContact O-CG 3.43Å
176	F	34.8	Very low	34.8	Very low	123 Å²	123	99 Å²	99	54%	0.539	55%	0.549	S	S	.	.	H	α-helix	trans	-70.4	-52.6	175.2	-91.9	-94.1	0	0	0	112.7	F172 K174 Y178 Q179 C180	F172-F176 HydrophobicContact CD1-CE2 4.32Å; F172-F176 WeakPolarHBondContact O-CD2 3.33Å; F172-F176 PolarHBondContact O-N 3.41Å; F172-F176 VanDerWaalsContact O-N 3.11Å; K174-F176 VanDerWaalsContact C-N 3.31Å; K174-F176 PolarHBondContact O-N 3.32Å; F176-Y178 VanDerWaalsContact C-N 3.33Å; F176-Y178 PolarHBondContact O-N 3.3Å; F176-Q179 PolarHBondContact O-N 3.04Å; F176-C180 PolarHBondContact O-N 3.43Å; F176-C180 PolarHBondContact O-SG 2.78Å
177	N	36	Very low	34.4	Very low	100 Å²	100	100.2 Å²	100.2	54%	0.535	55%	0.55	S	S	.	.	H	α-helix	trans	-59.6	-42.5	-176.1	-70.4	-17.4	0	0	0	112.1	S173 K174 Q179 C180 D181	S173-N177 WeakPolarHBondContact O-CB 3.43Å; S173-N177 PolarHBondContact O-N 2.94Å; S173-N177 PolarHBondContact O-ND2 2.64Å; K174-N177 PolarHBondContact O-N 3.32Å; N177-Q179 PolarHBondContact O-N 2.81Å; N177-Q179 VanDerWaalsContact O-N 3.15Å; N177-C180 PolarHBondContact O-N 3Å; N177-C180 VanDerWaalsContact O-N 3.1Å; N177-D181 PolarHBondContact O-N 3.34Å; N177-D181 VanDerWaalsContact O-N 3.11Å
178	Y	32	Very low	34.2	Very low	192 Å²	192	101.7 Å²	101.7	75%	0.753	56%	0.558	S	S	*	*	H	α-helix	trans	-64.6	-19.2	178.8	-154.2	-90.7	0	0	0	113.6	K174 F176 T182	K174-Y178 VanDerWaalsContact O-CB 3.32Å; K174-Y178 WeakPolarHBondContact O-CB 3.46Å; K174-Y178 PolarHBondContact O-N 2.89Å; F176-Y178 VanDerWaalsContact C-N 3.33Å; F176-Y178 PolarHBondContact O-N 3.3Å; Y178-T182 PolarHBondContact O-OG1 2.8Å
179	Q	37.5	Very low	33.8	Very low	67 Å²	67	102.6 Å²	102.6	31%	0.313	56%	0.564	S	S	.	*	H	α-helix	trans	-97.4	-20.9	174.5	-65.9	-171.2	28.4	0	0	113.5	I175 F176 N177 T182	I175-Q179 WeakPolarHBondContact O-CG 3.43Å; F176-Q179 PolarHBondContact O-N 3.04Å; N177-Q179 PolarHBondContact O-N 2.81Å; N177-Q179 VanDerWaalsContact O-N 3.15Å; Q179-T182 PolarHBondContact O-OG1 3.12Å
180	C	32.3	Very low	33.9	Very low	74 Å²	74	108.2 Å²	108.2	50%	0.5	58%	0.578	S	S	.	*	H	α-helix	trans	-70.5	-44.8	169.4	-69.9	0	0	0	0	111.5	F176 N177 T182 I183	F176-C180 PolarHBondContact O-N 3.43Å; F176-C180 PolarHBondContact O-SG 2.78Å; N177-C180 PolarHBondContact O-N 3Å; N177-C180 VanDerWaalsContact O-N 3.1Å; C180-T182 PolarHBondContact O-N 2.8Å; C180-T182 VanDerWaalsContact O-N 3.08Å; C180-I183 PolarHBondContact O-N 3.1Å
181	D	30.9	Very low	33.8	Very low	135 Å²	135	114.9 Å²	114.9	72%	0.722	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-14.9	-177.8	-69.2	-24.6	0	0	0	114	N177	N177-D181 PolarHBondContact O-N 3.34Å; N177-D181 VanDerWaalsContact O-N 3.11Å
182	T	34	Very low	33.4	Very low	102 Å²	102	118.7 Å²	118.7	63%	0.626	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	7.9	175.5	39.5	0	0	0	0	114.3	Y178 Q179 C180	Y178-T182 PolarHBondContact O-OG1 2.8Å; Q179-T182 PolarHBondContact O-OG1 3.12Å; C180-T182 PolarHBondContact O-N 2.8Å; C180-T182 VanDerWaalsContact O-N 3.08Å
183	I	32.4	Very low	33.2	Very low	93 Å²	93	119.2 Å²	119.2	48%	0.477	63%	0.634	S	S	.	*	S	Bend	trans	-110.8	101.5	167.4	-57.9	-179.5	0	0	0	107.9	C180 T185	C180-I183 PolarHBondContact O-N 3.1Å; I183-T185 PolarHBondContact O-N 3.48Å
184	S	30.4	Very low	33	Very low	117 Å²	117	123.6 Å²	123.6	82%	0.818	65%	0.652	S	S	*	*			trans	-46.2	106	-165.3	-53.3	0	0	0	0	115.2
185	T	29.5	Very low	32.8	Very low	122 Å²	122	127.8 Å²	127.8	75%	0.748	67%	0.674	S	S	*	*			trans	-65.8	133	158.8	45.2	0	0	0	0	109.2	I183	I183-T185 PolarHBondContact O-N 3.48Å
186	P	34.4	Very low	32.5	Very low	108 Å²	108	134.9 Å²	134.9	70%	0.701	70%	0.696	S	S	*	*			trans	-70.7	136.9	170	28.8	-32.4	0	0	0	109.9	V188	P186-V188 PolarHBondContact O-N 2.85Å
187	D	28.6	Very low	32.4	Very low	133 Å²	133	135.3 Å²	135.3	71%	0.711	70%	0.704	S	S	*	*			trans	-71.6	93.8	-178.3	178	6.5	0	0	0	111.8	T189	D187-T189 VanDerWaalsContact C-N 3.32Å; D187-T189 PolarHBondContact O-N 3.35Å; D187-T189 VanDerWaalsContact OD1-CB 3.3Å; D187-T189 WeakPolarHBondContact OD1-CB 3.47Å; D187-T189 WeakPolarHBondContact OD1-CG2 3.5Å; D187-T189 PolarHBondContact OD1-N 3.23Å; D187-T189 PolarHBondContact OD1-OG1 2.84Å
188	V	33.1	Very low	32.2	Very low	129 Å²	129	139.1 Å²	139.1	78%	0.782	72%	0.716	S	S	*	*			trans	-92.2	56.8	176.7	-166.2	0	0	0	0	111.1	P186	P186-V188 PolarHBondContact O-N 2.85Å
189	T	29.4	Very low	32.2	Very low	95 Å²	95	138.9 Å²	138.9	58%	0.583	72%	0.719	S	S	*	*			trans	-104.7	35.6	175.6	61.5	0	0	0	0	114.8	D187	D187-T189 VanDerWaalsContact C-N 3.32Å; D187-T189 PolarHBondContact O-N 3.35Å; D187-T189 VanDerWaalsContact OD1-CB 3.3Å; D187-T189 WeakPolarHBondContact OD1-CB 3.47Å; D187-T189 WeakPolarHBondContact OD1-CG2 3.5Å; D187-T189 PolarHBondContact OD1-N 3.23Å; D187-T189 PolarHBondContact OD1-OG1 2.84Å
190	K	35	Very low	31.9	Very low	173 Å²	173	140.3 Å²	140.3	75%	0.752	74%	0.736	S	S	*	*	S	Bend	trans	-148.4	121.5	160.2	-90.3	107.6	-166.5	165.2	0	113.9
191	K	32.4	Very low	31.8	Very low	179 Å²	179	144.2 Å²	144.2	78%	0.778	75%	0.752	S	S	*	*			trans	49	106	149.2	-62.6	-173.5	174.4	-171.8	0	118.4
192	N	32.6	Very low	31.8	Very low	166 Å²	166	142.7 Å²	142.7	89%	0.888	75%	0.75	S	S	*	*				-150	114	102.4	-106.7	-13	0	0	0	110.4	N194	N192-N194 PolarHBondContact O-N 3.29Å
193	D	29.2	Very low	31.6	Very low	139 Å²	139	145.1 Å²	145.1	74%	0.743	76%	0.759	S	S	*	*			trans	-74.2	113.8	170.2	-58.3	-80.7	0	0	0	109
194	N	34.2	Very low	31.6	Very low	157 Å²	157	146.1 Å²	146.1	84%	0.84	77%	0.769	S	S	*	*			trans	170.2	73	149	-89	-32.6	0	0	0	112.7	N192	N192-N194 PolarHBondContact O-N 3.29Å
195	Q	34.2	Very low	31.4	Very low	203 Å²	203	149.8 Å²	149.8	95%	0.949	77%	0.771	S	S	*	*			trans	-178.9	129.5	138.8	-100.5	162.9	41.9	0	0	109.7
196	R	30.3	Very low	31.4	Very low	226 Å²	226	155.5 Å²	155.5	85%	0.853	78%	0.779	S	S	*	*			trans	-146.7	155.9	-179.8	-122.9	-172.9	-174.9	-166.5	2.7	109.4
197	N	31.5	Very low	31.1	Very low	132 Å²	132	156.8 Å²	156.8	71%	0.706	78%	0.778	S	S	*	*			trans	71.5	145.6	-179.5	-29.4	-49.8	0	0	0	113.2
198	F	31.6	Very low	31	Very low	179 Å²	179	155 Å²	155	79%	0.785	78%	0.776	S	S	*	*			cis	-118.6	135.5	-4.5	-82.6	-93.9	0	0	0	108.3
199	K	33.6	Very low	30.9	Very low	188 Å²	188	157.9 Å²	157.9	82%	0.817	78%	0.781	S	S	*	*				77	128.4	70.4	-157	-177.1	-178.8	-172.9	0	112.1
200	S	29.4	Very low	31	Very low	97 Å²	97	163.6 Å²	163.6	68%	0.678	79%	0.792	S	S	*	*			trans	-73	153.4	-170.9	52.3	0	0	0	0	115.1
201	D	31	Very low	30.7	Very low	155 Å²	155	161.8 Å²	161.8	83%	0.829	79%	0.79	S	S	*	*				-148.1	159.7	122.6	-97.1	-34.1	0	0	0	110.2
202	P	30.1	Very low	30.6	Very low	104 Å²	104	160.1 Å²	160.1	68%	0.675	79%	0.79	S	S	*	*			trans	-85.5	-166.9	-179	37.2	-36.8	0	0	0	112.5
203	D	30.4	Very low	30.5	Very low	153 Å²	153	157.7 Å²	157.7	82%	0.818	78%	0.776	S	S	*	*			trans	62.5	101.8	175.7	-62.3	-20.4	0	0	0	117.4
204	T	32.1	Very low	30.6	Very low	113 Å²	113	159.9 Å²	159.9	69%	0.693	78%	0.782	S	S	*	*				-171.2	130.9	124.3	-78.7	0	0	0	0	110.9	W206	T204-W206 PolarHBondContact O-N 3.17Å
205	F	27.8	Very low	30.4	Very low	195 Å²	195	160.5 Å²	160.5	86%	0.855	78%	0.778	S	S	*	*			trans	-66.9	120.7	169.3	-89	-118.8	0	0	0	110.9	I207	F205-I207 PolarHBondContact O-N 3.07Å
206	W	29.3	Very low	30.3	Very low	241 Å²	241	156.6 Å²	156.6	91%	0.913	77%	0.773	S	S	*	*			trans	-90.6	100.9	167.4	-83.4	100.7	0	0	0	111.7	T204	T204-W206 PolarHBondContact O-N 3.17Å
207	I	27.5	Very low	30.1	Very low	136 Å²	136	150.7 Å²	150.7	70%	0.697	76%	0.762	S	S	*	*			trans	-97.9	117.3	166.7	-66.7	176.1	0	0	0	108.6	F205	F205-I207 PolarHBondContact O-N 3.07Å
208	S	26.1	Very low	30.2	Very low	95 Å²	95	150 Å²	150	66%	0.664	77%	0.767	S	S	*	*			trans	33.4	118.5	148	-164.5	0	0	0	0	119.2
209	Q	31.7	Very low	30	Very low	190 Å²	190	151.8 Å²	151.8	89%	0.888	77%	0.768	S	S	*	*				-164.6	169.8	101.4	-104.1	171.1	59.6	0	0	112.9
210	R	30	Very low	29.9	Very low	215 Å²	215	154 Å²	154	81%	0.811	77%	0.771	S	S	*	*			trans	-93.7	152.7	178.4	-87.2	-172.9	178.1	90.6	1.4	111.4
211	D	29.1	Very low	29.9	Very low	134 Å²	134	154.5 Å²	154.5	72%	0.717	77%	0.771	S	S	*	*			trans	27.7	126	134.3	-36.5	-40.6	0	0	0	118.4
212	D	30.1	Very low	30	Very low	144 Å²	144	152.6 Å²	152.6	77%	0.77	76%	0.76	S	S	*	*				-167.9	162.3	96.2	-133.2	-29.8	0	0	0	115.7
213	L	31	Very low	30.3	Very low	115 Å²	115	157.1 Å²	157.1	60%	0.602	77%	0.765	S	S	*	*			trans	60	114.9	154	-65.4	166.8	0	0	0	122.5	K215	L213-K215 HydrophobicContact CD2-CD 4.35Å
214	Q	31.2	Very low	30.5	Very low	185 Å²	185	156.9 Å²	156.9	86%	0.864	76%	0.764	S	S	*	*				175.4	132.7	99.8	-88.3	178.5	42.5	0	0	109.2
215	K	31	Very low	30.6	Very low	171 Å²	171	156.5 Å²	156.5	74%	0.743	77%	0.765	S	S	*	*			cis	86.3	104.5	37.4	-80.4	-169.7	174.9	172.8	0	117	L213	L213-K215 HydrophobicContact CD2-CD 4.35Å
216	S	30.6	Very low	31	Very low	121 Å²	121	151.4 Å²	151.4	85%	0.846	75%	0.754	S	S	*	*			trans	-141.1	127.1	148.2	54.4	0	0	0	0	107.4
217	V	28.1	Very low	31.4	Very low	102 Å²	102	145 Å²	145	62%	0.618	74%	0.738	S	S	*	*			cis	101	96	18.6	-177.2	0	0	0	0	114.6
218	S	31.7	Very low	32	Very low	116 Å²	116	146.1 Å²	146.1	81%	0.811	74%	0.737	S	S	*	*			trans	-169.7	109.4	139.1	-80.1	0	0	0	0	108.3
219	R	28.4	Very low	32.5	Very low	217 Å²	217	148.3 Å²	148.3	82%	0.819	74%	0.737	S	S	*	*				76.2	92.4	64.1	-82.4	-152.7	-84.7	-166.1	-8.8	116.2
220	R	30.9	Very low	32.7	Very low	234 Å²	234	145.8 Å²	145.8	88%	0.883	73%	0.73	S	S	*	*				-178.3	125.9	125.7	-91.3	161	-173.1	177.8	4.3	106.7
221	T	29.4	Very low	32.9	Very low	108 Å²	108	140 Å²	140	66%	0.663	73%	0.728	S	S	*	*				67	119.3	53.5	76	0	0	0	0	110.5
222	D	33.9	Very low	33.2	Very low	115 Å²	115	140.7 Å²	140.7	62%	0.615	73%	0.731	S	S	*	*			cis	-157.2	176.2	23	-75.8	-62.6	0	0	0	115.9
223	Y	35.6	Very low	33.4	Very low	199 Å²	199	140 Å²	140	78%	0.78	73%	0.727	S	S	*	*			trans	92	112.6	148.8	-57.8	-55.8	0	0	0	124.3
224	L	35.3	Very low	33.7	Very low	149 Å²	149	141.1 Å²	141.1	78%	0.78	73%	0.734	S	S	*	*			trans	60.3	122.1	130.5	-60.2	166.6	0	0	0	119.9
225	S	34.1	Very low	33.9	Very low	104 Å²	104	141.2 Å²	141.2	73%	0.727	73%	0.727	S	S	*	*				62.4	135.9	79.9	-91.8	0	0	0	0	114.7
226	S	36.2	Very low	34.3	Very low	88 Å²	88	140.3 Å²	140.3	62%	0.615	73%	0.728	S	S	*	*			cis	-163	156.4	6.7	-124.7	0	0	0	0	113.4
227	D	38.1	Very low	34.6	Very low	107 Å²	107	142.8 Å²	142.8	57%	0.572	73%	0.726	S	S	*	*			trans	58.9	128	138.5	-73.3	-65.9	0	0	0	124.5
228	K	39.5	Very low	34.8	Very low	159 Å²	159	143.2 Å²	143.2	69%	0.691	73%	0.734	S	S	*	*			trans	71.2	158.4	130.9	-65.1	175.6	175.6	94.5	0	117.8
229	Q	37.3	Very low	34.8	Very low	141 Å²	141	141.6 Å²	141.6	66%	0.659	74%	0.735	S	S	*	*			cis	-161.3	164.8	-9.6	-121.6	170.3	-36.9	0	0	112.6
230	N	35.2	Very low	35	Very low	138 Å²	138	138.6 Å²	138.6	74%	0.738	74%	0.735	S	S	*	*			trans	66.4	144.1	149	-62.4	-9.5	0	0	0	121.4
231	A	34.9	Very low	35.1	Very low	94 Å²	94	134.9 Å²	134.9	78%	0.777	73%	0.731	S	S	*	*			trans	-79.2	163	166.9	0	0	0	0	0	111.9
232	L	35.6	Very low	35.4	Very low	147 Å²	147	134.7 Å²	134.7	77%	0.77	73%	0.732	S	S	*	*				176.5	138.8	101.7	-167.1	66.1	0	0	0	111.1
233	D	33.9	Very low	35.2	Very low	129 Å²	129	135.7 Å²	135.7	69%	0.69	74%	0.743	S	S	*	*			trans	35.9	136.1	157.4	-52.7	-16.3	0	0	0	124
234	D	37.1	Very low	35	Very low	139 Å²	139	131 Å²	131	74%	0.743	74%	0.739	S	S	*	*				110.9	140.6	122.5	-103.9	-12.6	0	0	0	123.7
235	Y	34.3	Very low	34.9	Very low	187 Å²	187	129.7 Å²	129.7	73%	0.733	74%	0.737	S	S	*	*			trans	62.4	96.1	161.6	-85.5	-105.3	0	0	0	123.2
236	M	39.7	Very low	34.8	Very low	153 Å²	153	131.3 Å²	131.3	75%	0.754	74%	0.737	S	S	*	*				77.3	152.3	111.6	-73.8	-64.2	-170	0	0	124.3
237	E	36.6	Very low	34.7	Very low	173 Å²	173	134.5 Å²	134.5	81%	0.808	74%	0.743	S	S	*	*			trans	81.5	84.7	149.7	-136.8	124.9	-119.4	0	0	120.9
238	S	32.1	Very low	34.4	Very low	111 Å²	111	137.6 Å²	137.6	78%	0.776	75%	0.754	S	S	*	*			trans	8.3	124.1	143.4	57.9	0	0	0	0	120.9
239	G	33.1	Very low	34	Very low	82 Å²	82	135 Å²	135	85%	0.845	76%	0.755	S	S	*	*			trans	-136.6	128.9	156.7	0	0	0	0	0	110.4
240	N	33	Very low	33.6	Very low	154 Å²	154	136.1 Å²	136.1	82%	0.824	76%	0.764	S	S	*	*			trans	-114.3	162.4	-165.4	-121.8	-31.6	0	0	0	113.1
241	I	32.5	Very low	33.2	Very low	156 Å²	156	137.1 Å²	137.1	80%	0.8	76%	0.764	S	S	*	*			trans	83.7	141.4	164.6	-63.7	153.7	0	0	0	117.5
242	P	35.2	Very low	32.9	Very low	104 Å²	104	138.5 Å²	138.5	68%	0.675	77%	0.766	S	S	*	*			trans	-125.6	-158.1	-172.5	37.7	-16.2	0	0	0	113.8
243	T	30.4	Very low	32.5	Very low	136 Å²	136	139 Å²	139	83%	0.834	76%	0.764	S	S	*	*			trans	97.5	150.3	161.7	72.5	0	0	0	0	120.1
244	S	31.9	Very low	32.5	Very low	101 Å²	101	139.5 Å²	139.5	71%	0.706	77%	0.772	S	S	*	*			trans	82	96.6	165	-162	0	0	0	0	119.8
245	T	31.7	Very low	31.9	Very low	120 Å²	120	137.2 Å²	137.2	74%	0.736	77%	0.765	S	S	*	*				56.4	110.9	122.6	-40.8	0	0	0	0	119.1
246	D	33.2	Very low	31.7	Very low	138 Å²	138	135.8 Å²	135.8	74%	0.738	77%	0.769	S	S	*	*				-154.8	175.8	107.8	-130.7	-37.4	0	0	0	114
247	Q	32.9	Very low	31.2	Very low	155 Å²	155	134.2 Å²	134.2	72%	0.724	76%	0.764	S	S	*	*			trans	-76.1	149.7	-167.5	-56.8	152.1	31.2	0	0	114.8
248	Q	32.8	Very low	30.7	Very low	172 Å²	172	134 Å²	134	80%	0.804	77%	0.769	S	S	*	*				164.8	162.4	109.5	-87.7	-179.7	23.4	0	0	115
249	C	29.9	Very low	30.4	Very low	105 Å²	105	138.5 Å²	138.5	71%	0.709	77%	0.77	S	S	*	*			trans	72.5	98.9	160	-72.6	0	0	0	0	122.5
250	L	30.5	Very low	30.1	Very low	164 Å²	164	141.5 Å²	141.5	86%	0.859	76%	0.762	S	S	*	*				68.3	114.1	123.9	-62.5	169.8	0	0	0	121.2
251	Q	25.4	Very low	29.8	Very low	159 Å²	159	141.3 Å²	141.3	74%	0.743	75%	0.754	S	S	*	*			trans	-83.5	159	157.9	-64.8	-179	-19.8	0	0	112.1
252	P	30.2	Very low	29.6	Very low	124 Å²	124	141.3 Å²	141.3	81%	0.805	75%	0.748	S	S	*	*			trans	-99.8	110.9	149.7	33.4	-23.9	0	0	0	111.3
253	Q	26.9	Very low	29.6	Very low	156 Å²	156	144.2 Å²	144.2	73%	0.729	75%	0.753	S	S	*	*			trans	-89.4	139.2	154.2	-80.2	-164.2	-13.6	0	0	109.3
254	V	33.4	Very low	29.6	Very low	141 Å²	141	144.8 Å²	144.8	86%	0.855	75%	0.751	S	S	*	*			trans	-134.1	135.3	162.9	-176.8	0	0	0	0	107.7
255	C	25.1	Very low	29.6	Very low	91 Å²	91	148.1 Å²	148.1	62%	0.615	76%	0.755	S	S	*	*			trans	-109.6	-162.2	-164.6	-55.4	0	0	0	0	112.2
256	L	29.9	Very low	29.7	Very low	156 Å²	156	146.1 Å²	146.1	82%	0.817	75%	0.746	S	S	*	*			trans	84.2	127.6	173.3	-48.7	176.7	0	0	0	113.7
257	N	28	Very low	29.6	Very low	121 Å²	121	147.9 Å²	147.9	65%	0.647	75%	0.747	S	S	*	*			cis	-137.1	135.5	3.3	-83.5	-48	0	0	0	112.3
258	N	26.6	Very low	29.6	Very low	168 Å²	168	149 Å²	149	90%	0.898	75%	0.752	S	S	*	*			trans	-108.1	109.4	157.8	-92.5	-25.5	0	0	0	108.1	H260	N258-H260 PolarHBondContact O-N 3.46Å
259	Y	26.2	Very low	29.3	Very low	206 Å²	206	145.4 Å²	145.4	81%	0.808	75%	0.746	S	S	*	*			trans	-93.2	89.5	170.1	-108.1	-83.9	0	0	0	110.2	F261	Y259-F261 PolarHBondContact O-N 3.11Å
260	H	26.3	Very low	29.3	Very low	144 Å²	144	151.5 Å²	151.5	67%	0.667	76%	0.756	S	S	*	*			trans	-82.5	95.9	168.6	-176.1	3.5	0	0	0	108.6	N258 K262	N258-H260 PolarHBondContact O-N 3.46Å; H260-K262 WeakPolarHBondContact CE1-CG 3.35Å; H260-K262 WeakPolarHBondContact NE2-CE 3.35Å
261	F	27.9	Very low	29.1	Very low	150 Å²	150	151 Å²	151	66%	0.658	75%	0.754	S	S	*	*			trans	-71.6	134.5	162.2	-124.1	-97.3	0	0	0	108.9	Y259 E263	Y259-F261 PolarHBondContact O-N 3.11Å; F261-E263 HydrophobicContact CD1-CG 4.05Å; F261-E263 HydrophobicContact CE1-CG 3.92Å
262	K	27.8	Very low	29.3	Very low	156 Å²	156	149.1 Å²	149.1	68%	0.678	76%	0.758	S	S	*	*			trans	-125.9	120.4	160.7	-72.7	-171.8	178.3	-174.5	0	106.1	H260	H260-K262 WeakPolarHBondContact CE1-CG 3.35Å; H260-K262 WeakPolarHBondContact NE2-CE 3.35Å
263	E	34.7	Very low	29.4	Very low	166 Å²	166	148.4 Å²	148.4	78%	0.776	76%	0.756	S	S	*	*			trans	-128.6	128.9	154.1	-72.4	-172.9	154.3	0	0	106.8	F261	F261-E263 HydrophobicContact CD1-CG 4.05Å; F261-E263 HydrophobicContact CE1-CG 3.92Å
264	D	30.4	Very low	29.3	Very low	148 Å²	148	151.7 Å²	151.7	79%	0.791	76%	0.764	S	S	*	*			trans	-78.2	145.2	175.6	-60.1	-81.3	0	0	0	109.4
265	E	32.6	Very low	29.3	Very low	171 Å²	171	149.3 Å²	149.3	80%	0.799	75%	0.751	S	S	*	*				173.9	120.6	108.8	-87.6	-128	109.7	0	0	113.1
266	S	32	Very low	29.4	Very low	78 Å²	78	152.9 Å²	152.9	55%	0.545	76%	0.759	S	S	.	*			trans	73	129.3	139.3	90	0	0	0	0	121
267	K	32.8	Very low	29.5	Very low	175 Å²	175	156.2 Å²	156.2	76%	0.761	76%	0.762	S	S	*	*			trans	59.8	135.4	134.6	-58.2	158.7	-161.8	153.9	0	118
268	Q	31.6	Very low	29.4	Very low	179 Å²	179	154.8 Å²	154.8	84%	0.836	77%	0.767	S	S	*	*			cis	-156.4	156.2	10.7	-134.8	160.9	-23.6	0	0	110.9
269	S	27.3	Very low	29.5	Very low	96 Å²	96	152.6 Å²	152.6	67%	0.671	76%	0.764	S	S	*	*			trans	-69.7	145.6	175.7	54.2	0	0	0	0	113
270	Y	29.9	Very low	29.4	Very low	233 Å²	233	150.4 Å²	150.4	91%	0.914	77%	0.766	S	S	*	*			trans	-158.3	139.5	131.8	-107.3	-70.6	0	0	0	112
271	N	25.6	Very low	29.6	Very low	153 Å²	153	151.2 Å²	151.2	82%	0.818	77%	0.773	S	S	*	*			trans	-91.3	146.4	172.7	-69.7	-42.3	0	0	0	110.6
272	S	30.4	Very low	29.5	Very low	119 Å²	119	151 Å²	151	83%	0.832	78%	0.778	S	S	*	*				170.5	154.4	118.2	47.1	0	0	0	0	115.2
273	S	31	Very low	29.6	Very low	110 Å²	110	150.9 Å²	150.9	77%	0.769	78%	0.784	S	S	*	*			trans	11.8	126.3	158	-50.8	0	0	0	0	123.9
274	Y	25.5	Very low	29.1	Very low	224 Å²	224	148.1 Å²	148.1	88%	0.878	78%	0.779	S	S	*	*				7.9	155.9	116.2	-74.7	-101.3	0	0	0	119.8
275	P	34.1	Very low	29	Very low	92 Å²	92	152.5 Å²	152.5	60%	0.597	79%	0.785	S	S	*	*			cis	-146.2	-165.9	-34.4	42.5	-23.4	0	0	0	114.2
276	E	27.2	Very low	28.7	Very low	165 Å²	165	149.4 Å²	149.4	77%	0.771	78%	0.782	S	S	*	*			trans	63.3	135	159.3	-67.7	-176.7	127.8	0	0	120
277	Y	31.1	Very low	28.6	Very low	227 Å²	227	153.5 Å²	153.5	89%	0.89	79%	0.792	S	S	*	*				-176.8	144.6	106.7	-104.7	-76.7	0	0	0	110.3
278	A	26.1	Very low	28.5	Very low	91 Å²	91	152.6 Å²	152.6	75%	0.752	79%	0.79	S	S	*	*			trans	-102.4	146.9	174.1	0	0	0	0	0	111.2
279	C	28.6	Very low	28.2	Very low	122 Å²	122	154.2 Å²	154.2	82%	0.824	79%	0.79	S	S	*	*			trans	-132.1	112.5	171.5	-74.6	0	0	0	0	111.3
280	N	24.9	Very low	28.3	Very low	159 Å²	159	156.5 Å²	156.5	85%	0.85	80%	0.801	S	S	*	*			trans	-84.5	136.6	164.1	-77.1	-39.8	0	0	0	109.6
281	I	30.4	Very low	28.1	Very low	161 Å²	161	151.7 Å²	151.7	83%	0.826	80%	0.796	S	S	*	*			trans	-128.2	110.5	158.8	-61	-178.2	0	0	0	108
282	I	24.8	Very low	28.5	Very low	147 Å²	147	153 Å²	153	75%	0.754	79%	0.794	S	S	*	*			trans	-89.7	137.7	166	-64	170	0	0	0	107.2	T284	I282-T284 HydrophobicContact CG2-CG2 4.29Å
283	N	29.5	Very low	28.6	Very low	152 Å²	152	152.9 Å²	152.9	81%	0.813	78%	0.784	S	S	*	*			trans	-149.6	155.5	155	-138.4	-21.7	0	0	0	111.6
284	T	26	Very low	28.5	Very low	108 Å²	108	156.3 Å²	156.3	66%	0.663	79%	0.785	S	S	*	*			trans	-127.2	129.8	-157.7	49.2	0	0	0	0	114.7	I282	I282-T284 HydrophobicContact CG2-CG2 4.29Å
285	R	27.6	Very low	28.8	Very low	241 Å²	241	152.1 Å²	152.1	91%	0.909	78%	0.778	S	S	*	*			trans	167.3	130.4	152.3	-94.5	156.3	170.9	173.9	-3.6	106.7
286	S	25.5	Very low	28.7	Very low	106 Å²	106	157.7 Å²	157.7	74%	0.741	79%	0.789	S	S	*	*			cis	86.2	134.5	43.5	-165.9	0	0	0	0	113.6
287	Q	30.2	Very low	28.9	Very low	164 Å²	164	153.8 Å²	153.8	77%	0.766	79%	0.785	S	S	*	*			trans	96.6	110.8	166.7	-64.5	-165.2	-25.2	0	0	121.9
288	H	31.2	Very low	28.8	Very low	156 Å²	156	147.8 Å²	147.8	72%	0.722	78%	0.776	S	S	*	*			trans	68.8	124.1	138	-62.7	-68.6	0	0	0	125.1
289	Y	25.1	Very low	29	Very low	212 Å²	212	147.9 Å²	147.9	83%	0.831	77%	0.771	S	S	*	*			trans	-20.9	145	157.4	-59.9	-99.9	0	0	0	120.7
290	T	29.4	Very low	29.3	Very low	145 Å²	145	150 Å²	150	89%	0.89	77%	0.769	S	S	*	*				179.7	177.3	103.1	29.7	0	0	0	0	112.5
291	T	26.1	Very low	29.5	Very low	132 Å²	132	148.4 Å²	148.4	81%	0.81	76%	0.76	S	S	*	*			trans	-114	177.5	-166.2	29.2	0	0	0	0	115.1
292	K	32.9	Very low	29.6	Very low	179 Å²	179	145.8 Å²	145.8	78%	0.778	76%	0.756	S	S	*	*			trans	105.8	148	168.4	-62.5	-175	169.1	-164	0	116.3
293	D	32.9	Very low	29.9	Very low	117 Å²	117	144.4 Å²	144.4	63%	0.626	76%	0.755	S	S	*	*			cis	-163	147.9	-13.8	-97.2	-23.9	0	0	0	112.1
294	F	29.1	Very low	29.9	Very low	182 Å²	182	144.8 Å²	144.8	80%	0.798	76%	0.755	S	S	*	*			trans	58.7	160	146.1	-82.3	-95.8	0	0	0	128.2
295	D	33.1	Very low	30	Very low	137 Å²	137	146.2 Å²	146.2	73%	0.733	76%	0.758	S	S	*	*			trans	79	144.6	154.9	-71.4	-16.2	0	0	0	122.8
296	Y	30.9	Very low	30.1	Very low	209 Å²	209	140.6 Å²	140.6	82%	0.82	75%	0.754	S	S	*	*			cis	-168.5	136.2	-11.1	-167	-96.5	0	0	0	114.6
297	A	30.9	Very low	30.2	Very low	83 Å²	83	142.2 Å²	142.2	69%	0.686	75%	0.753	S	S	*	*			trans	42.2	178.8	158.6	0	0	0	0	0	122.6
298	S	30.2	Very low	30.1	Very low	100 Å²	100	139.6 Å²	139.6	70%	0.699	75%	0.753	S	S	*	*			cis	-161.9	135.5	1.3	-167.1	0	0	0	0	116.5
299	S	30.5	Very low	29.9	Very low	93 Å²	93	136.1 Å²	136.1	65%	0.65	75%	0.747	S	S	*	*			trans	62.9	152.1	134.9	69.6	0	0	0	0	127.9
300	Q	34.4	Very low	30.1	Very low	167 Å²	167	135.3 Å²	135.3	78%	0.78	74%	0.744	S	S	*	*			trans	87.5	143.8	149.3	-60.9	-124.2	29.6	0	0	120.3
301	N	28.9	Very low	30.2	Very low	126 Å²	126	135.7 Å²	135.7	67%	0.674	74%	0.735	S	S	*	*			cis	-170.7	173.1	-24.7	-141	-20.3	0	0	0	114
302	S	33.6	Very low	30.3	Very low	105 Å²	105	135.3 Å²	135.3	73%	0.734	73%	0.728	S	S	*	*			trans	79.7	160.2	151	74.6	0	0	0	0	124.2
303	V	29.4	Very low	30.2	Very low	119 Å²	119	131.7 Å²	131.7	72%	0.721	73%	0.725	S	S	*	*			cis	-169.5	154.5	-45.4	168.7	0	0	0	0	107.4
304	I	29.8	Very low	30.1	Very low	159 Å²	159	130.4 Å²	130.4	82%	0.815	73%	0.726	S	S	*	*			trans	146.7	128	138	-72.9	175	0	0	0	114.1
305	D	28.1	Very low	30.3	Very low	139 Å²	139	130.9 Å²	130.9	74%	0.743	73%	0.73	S	S	*	*			trans	-105.4	169.6	177.6	-56.7	-85.6	0	0	0	114.3
306	C	29.9	Very low	30.1	Very low	122 Å²	122	129.9 Å²	129.9	82%	0.824	73%	0.734	S	S	*	*			trans	171.3	158.2	138.4	-92	0	0	0	0	112.5
307	I	27	Very low	30	Very low	140 Å²	140	124.9 Å²	124.9	72%	0.718	73%	0.73	S	S	*	*			cis	-175	153.3	-44.9	-110.5	167.9	0	0	0	109.3
308	S	28.4	Very low	30	Very low	109 Å²	109	130.3 Å²	130.3	76%	0.762	74%	0.741	S	S	*	*			trans	70.8	155.9	162.2	-81.5	0	0	0	0	120.5
309	S	27.8	Very low	29.9	Very low	84 Å²	84	130.8 Å²	130.8	59%	0.587	74%	0.744	S	S	*	*			cis	-176.3	172	-13.6	49.1	0	0	0	0	113.2
310	Y	29.5	Very low	29.9	Very low	195 Å²	195	133.5 Å²	133.5	77%	0.765	76%	0.757	S	S	*	*			trans	79.1	131.3	173.5	-61.2	-86.9	0	0	0	117.2
311	Q	31.2	Very low	29.6	Very low	153 Å²	153	130.6 Å²	130.6	72%	0.715	76%	0.755	S	S	*	*			cis	79.1	140.2	34.9	-67.6	-166.3	-84.8	0	0	114.4
312	D	27.9	Very low	29.5	Very low	123 Å²	123	129.4 Å²	129.4	66%	0.658	76%	0.756	S	S	*	*			cis	-161.4	-179.5	-6.6	-135	-51.6	0	0	0	111.6
313	S	31.4	Very low	29.3	Very low	103 Å²	103	135.4 Å²	135.4	72%	0.72	76%	0.764	S	S	*	*			trans	77.2	155.2	160.8	-38.9	0	0	0	0	119.5
314	S	29.9	Very low	29.4	Very low	91 Å²	91	136.6 Å²	136.6	64%	0.636	77%	0.771	S	S	*	*			cis	-177.7	144.5	-39.2	59.6	0	0	0	0	110.7
315	Q	33.1	Very low	29.6	Very low	192 Å²	192	138.4 Å²	138.4	90%	0.897	77%	0.773	S	S	*	*			trans	67.2	155.8	166.8	-54.3	171.7	16.9	0	0	115.6
316	S	30.5	Very low	29.5	Very low	115 Å²	115	143 Å²	143	80%	0.804	78%	0.781	S	S	*	*			cis	-134.9	165.1	2.5	59.2	0	0	0	0	113
317	S	27.1	Very low	29.6	Very low	105 Å²	105	142.4 Å²	142.4	73%	0.734	78%	0.775	S	S	*	*			trans	-68.2	154.5	-175.8	51.9	0	0	0	0	116.7
318	E	30.9	Very low	29.5	Very low	196 Å²	196	140.9 Å²	140.9	92%	0.916	78%	0.777	S	S	*	*				-161.1	172.9	115.5	-111.2	171.6	-153.8	0	0	112.9
319	S	28.1	Very low	29.5	Very low	111 Å²	111	144.3 Å²	144.3	78%	0.776	78%	0.778	S	S	*	*			trans	-102.5	143.7	-151.6	59.5	0	0	0	0	117.4
320	V	30.9	Very low	29.3	Very low	150 Å²	150	151.1 Å²	151.1	91%	0.909	79%	0.792	S	S	*	*			trans	-138.7	144.9	152.3	-178.4	0	0	0	0	110.1
321	S	28.2	Very low	29.4	Very low	105 Å²	105	146 Å²	146	73%	0.734	79%	0.786	S	S	*	*			trans	-78.7	156.3	-174.5	-170.1	0	0	0	0	114.8
322	S	26.9	Very low	29.2	Very low	101 Å²	101	148 Å²	148	71%	0.706	80%	0.795	S	S	*	*			trans	-78.7	136.2	178.5	56.4	0	0	0	0	113.9
323	Y	28.8	Very low	29.4	Very low	232 Å²	232	147.5 Å²	147.5	91%	0.91	80%	0.797	S	S	*	*			trans	-140.6	133.1	156	-102.5	-83.4	0	0	0	111.1
324	V	32	Very low	29.5	Very low	143 Å²	143	151.3 Å²	151.3	87%	0.867	80%	0.803	S	S	*	*			trans	-80.7	126.6	-173.3	178.2	0	0	0	0	111.1	R326	V324-R326 PolarHBondContact O-N 2.87Å
325	K	33	Very low	29.7	Very low	197 Å²	197	154.5 Å²	154.5	86%	0.857	81%	0.813	S	S	*	*			trans	-78	114.5	173	-74.3	-176.5	177.2	177.8	0	110.9
326	R	27.7	Very low	29.9	Very low	237 Å²	237	150.3 Å²	150.3	89%	0.894	80%	0.796	S	S	*	*			trans	-77.5	127.4	171.3	-164.4	-179.2	-164.1	174.6	4.6	109.7	V324 S328	V324-R326 PolarHBondContact O-N 2.87Å; R326-S328 PolarHBondContact O-N 3.43Å
327	P	30.5	Very low	30.3	Very low	108 Å²	108	152.7 Å²	152.7	70%	0.701	79%	0.788	S	S	*	*			trans	-67.7	131.1	176.3	-19.8	32.6	0	0	0	111.9
328	S	26	Very low	31.2	Very low	109 Å²	109	151.8 Å²	151.8	76%	0.762	77%	0.769	S	S	*	*			trans	-89.5	108.6	172.1	53.7	0	0	0	0	110.4	R326 Y330	R326-S328 PolarHBondContact O-N 3.43Å; S328-Y330 PolarHBondContact O-N 2.87Å; S328-Y330 VanDerWaalsContact O-N 3.09Å
329	F	27.2	Very low	31.5	Very low	181 Å²	181	146.3 Å²	146.3	79%	0.794	75%	0.75	S	S	*	*			trans	-75.3	96	173.4	-88.3	-92.1	0	0	0	111
330	Y	25.3	Very low	32.5	Very low	226 Å²	226	144.6 Å²	144.6	89%	0.886	73%	0.726	S	S	*	*			trans	-139.9	63.7	162.6	-98.9	-74.9	0	0	0	109.4	S328	S328-Y330 PolarHBondContact O-N 2.87Å; S328-Y330 VanDerWaalsContact O-N 3.09Å
331	S	30.9	Very low	33.2	Very low	89 Å²	89	139.1 Å²	139.1	62%	0.622	69%	0.692	S	S	*	*			trans	-87.3	117	166.8	49.4	0	0	0	0	109.1	T333	S331-T333 PolarHBondContact O-N 3.07Å
332	Q	26.1	Very low	34.1	Very low	194 Å²	194	137.9 Å²	137.9	91%	0.907	68%	0.677	S	S	*	*			trans	-71.2	89.3	-177.1	-67.2	171.6	-54.7	0	0	111.6
333	T	32.1	Very low	35	Very low	113 Å²	113	140.9 Å²	140.9	69%	0.693	67%	0.673	S	S	*	*			trans	-65.1	139.5	160.3	47	0	0	0	0	109.1	S331 N335	S331-T333 PolarHBondContact O-N 3.07Å; T333-N335 PolarHBondContact O-N 3.32Å
334	Q	35.3	Very low	35.8	Very low	183 Å²	183	131.6 Å²	131.6	86%	0.855	64%	0.637	S	S	*	*			trans	-71.1	103.6	179.1	-70.3	-175.7	-8.4	0	0	109.4	I336	Q334-I336 PolarHBondContact O-N 3.5Å
335	N	33.8	Very low	36.5	Very low	158 Å²	158	127.3 Å²	127.3	85%	0.845	61%	0.606	S	S	*	*			trans	-63.3	94	175.5	-96.8	-23.9	0	0	0	110.7	T333 Y337	T333-N335 PolarHBondContact O-N 3.32Å; N335-Y337 PolarHBondContact O-N 2.86Å
336	I	37.7	Very low	37.4	Very low	104 Å²	104	121 Å²	121	53%	0.533	59%	0.591	S	S	.	*			trans	-72.9	94.8	171.3	-54.1	179.5	0	0	0	107.4	Q334 W338	Q334-I336 PolarHBondContact O-N 3.5Å; I336-W338 HydrophobicContact CB-CZ2 4.34Å; I336-W338 HydrophobicContact CG2-CD2 4.2Å; I336-W338 HydrophobicContact CG2-CH2 3.97Å; I336-W338 HydrophobicContact CG2-CZ2 3.5Å; I336-W338 HydrophobicContact CG2-CZ3 4.48Å; I336-W338 PolarHBondContact O-N 3.09Å; I336-W338 PolarHBondContact O-NE1 3.21Å
337	Y	38.1	Very low	38.2	Very low	164 Å²	164	115 Å²	115	64%	0.643	57%	0.573	S	S	*	*			trans	-58.7	128.1	177.9	179.1	-119.8	0	0	0	111.4	N335 P339 D342	N335-Y337 PolarHBondContact O-N 2.86Å; Y337-P339 HydrophobicContact CD1-CG 3.96Å; Y337-P339 HydrophobicContact CE1-CB 4.28Å; Y337-P339 HydrophobicContact CE1-CG 3.62Å; Y337-P339 WeakPolarHBondContact O-CD 3.39Å; Y337-D342 WeakPolarHBondContact CE2-OD2 3.43Å; Y337-D342 PolarHBondContact OH-OD2 2.61Å; Y337-D342 VanDerWaalsContact OH-OD2 3.05Å
338	W	45.6	Very low	38.5	Very low	87 Å²	87	113.5 Å²	113.5	33%	0.33	56%	0.559	S	S	.	*			trans	-122.2	89.7	-176.3	-70.2	121.4	0	0	0	110.5	I336 W340 I341	I336-W338 HydrophobicContact CB-CZ2 4.34Å; I336-W338 HydrophobicContact CG2-CD2 4.2Å; I336-W338 HydrophobicContact CG2-CH2 3.97Å; I336-W338 HydrophobicContact CG2-CZ2 3.5Å; I336-W338 HydrophobicContact CG2-CZ3 4.48Å; I336-W338 PolarHBondContact O-N 3.09Å; I336-W338 PolarHBondContact O-NE1 3.21Å; W338-W340 AromaticContact CD2-NE1 3.87Å; W338-W340 AromaticContact CE3-NE1 3.74Å; W338-W340 AromaticContact CG-NE1 3.85Å; W338-W340 PolarHBondContact O-N 3Å; W338-I341 HydrophobicContact CB-CB 4.43Å; W338-I341 HydrophobicContact CB-CD1 3.68Å; W338-I341 HydrophobicContact CB-CG1 3.8Å; W338-I341 HydrophobicContact CG-CD1 4.13Å; W338-I341 WeakPolarHBondContact O-CB 3.38Å; W338-I341 PolarHBondContact O-N 3.35Å
339	P	36.5	Very low	39.2	Very low	80 Å²	80	110.5 Å²	110.5	52%	0.519	54%	0.537	S	S	.	.	H	α-helix	trans	-58.1	-13.5	-174.3	-22.8	27.8	0	0	0	116.2	Y337 R343	Y337-P339 HydrophobicContact CD1-CG 3.96Å; Y337-P339 HydrophobicContact CE1-CB 4.28Å; Y337-P339 HydrophobicContact CE1-CG 3.62Å; Y337-P339 WeakPolarHBondContact O-CD 3.39Å; P339-R343 WeakPolarHBondContact O-CB 3.34Å
340	W	50.4	Low	39.7	Very low	75 Å²	75	105.1 Å²	105.1	28%	0.284	53%	0.527	S	S	.	.	H	α-helix	trans	-81.3	-21.2	175.7	66	-90.3	0	0	0	112.6	W338 F344	W338-W340 AromaticContact CD2-NE1 3.87Å; W338-W340 AromaticContact CE3-NE1 3.74Å; W338-W340 AromaticContact CG-NE1 3.85Å; W338-W340 PolarHBondContact O-N 3Å; W340-F344 WeakPolarHBondContact O-CB 3.16Å; W340-F344 PolarHBondContact O-N 2.98Å
341	I	44.6	Very low	40.2	Very low	36 Å²	36	99.5 Å²	99.5	19%	0.185	52%	0.52	C	S	.	.	H	α-helix	trans	-71.5	-55.1	175.9	-64	-175.5	0	0	0	109	W338 R343 F344 Y345	W338-I341 HydrophobicContact CB-CB 4.43Å; W338-I341 HydrophobicContact CB-CD1 3.68Å; W338-I341 HydrophobicContact CB-CG1 3.8Å; W338-I341 HydrophobicContact CG-CD1 4.13Å; W338-I341 WeakPolarHBondContact O-CB 3.38Å; W338-I341 PolarHBondContact O-N 3.35Å; I341-R343 PolarHBondContact O-N 2.96Å; I341-F344 WeakPolarHBondContact O-CA 3.24Å; I341-F344 WeakPolarHBondContact O-CB 3.39Å; I341-F344 PolarHBondContact O-N 3.42Å; I341-Y345 HydrophobicContact CG2-CD2 3.64Å; I341-Y345 HydrophobicContact CG2-CE2 3.64Å; I341-Y345 WeakPolarHBondContact O-CD2 3.41Å; I341-Y345 PolarHBondContact O-N 2.93Å
342	D	47.2	Very low	40.6	Very low	79 Å²	79	102 Å²	102	42%	0.422	52%	0.52	S	S	.	.	H	α-helix	trans	-56.8	-41.6	178.8	-44.8	-42.7	0	0	0	111.8	Y337 Y345 A346	Y337-D342 WeakPolarHBondContact CE2-OD2 3.43Å; Y337-D342 PolarHBondContact OH-OD2 2.61Å; Y337-D342 VanDerWaalsContact OH-OD2 3.05Å; D342-Y345 PolarHBondContact O-N 3.21Å; D342-A346 WeakPolarHBondContact O-CB 3.37Å; D342-A346 PolarHBondContact O-N 3.24Å
343	R	46.5	Very low	40.8	Very low	163 Å²	163	99.9 Å²	99.9	62%	0.615	51%	0.514	S	S	*	.	H	α-helix	trans	-61.7	-45.5	175.2	-179.5	174.2	177.1	140.3	14.9	111.9	P339 I341 A346 E347	P339-R343 WeakPolarHBondContact O-CB 3.34Å; I341-R343 PolarHBondContact O-N 2.96Å; R343-A346 PolarHBondContact O-N 2.72Å; R343-E347 HydrophobicContact CG-CG 4.4Å; R343-E347 IonicContact CZ-OE1 3.69Å; R343-E347 IonicContact NE-OE1 2.96Å; R343-E347 PolarHBondContact NE-OE1 3.17Å; R343-E347 IonicContact NE-OE2 3.17Å; R343-E347 IonicContact NH2-OE1 2.71Å; R343-E347 PolarHBondContact NH2-OE1 3.1Å; R343-E347 WeakPolarHBondContact O-CB 3.42Å; R343-E347 WeakPolarHBondContact O-CG 3.34Å; R343-E347 PolarHBondContact O-N 2.91Å
344	F	45.3	Very low	40.6	Very low	37 Å²	37	97.4 Å²	97.4	16%	0.162	51%	0.511	C	S	.	.	H	α-helix	trans	-65	-39.2	177.7	176.7	-96.7	0	0	0	111.8	W340 I341 E347 N348 Y657	W340-F344 WeakPolarHBondContact O-CB 3.16Å; W340-F344 PolarHBondContact O-N 2.98Å; I341-F344 WeakPolarHBondContact O-CA 3.24Å; I341-F344 WeakPolarHBondContact O-CB 3.39Å; I341-F344 PolarHBondContact O-N 3.42Å; F344-E347 PolarHBondContact O-N 3.05Å; F344-N348 VanDerWaalsContact CD2-ND2 3.34Å; F344-N348 WeakPolarHBondContact CD2-ND2 3.49Å; F344-N348 WeakPolarHBondContact CE2-ND2 3.45Å; F344-N348 WeakPolarHBondContact O-CB 3.28Å; F344-N348 PolarHBondContact O-N 3.01Å; F344-N348 PolarHBondContact O-ND2 3.45Å; F344-Y657 AromaticContact CE1-CD1 3.41Å; F344-Y657 HydrophobicContact CE1-CD1 3.41Å; F344-Y657 VanDerWaalsContact CE1-CD1 3.41Å; F344-Y657 AromaticContact CE1-CD2 3.93Å; F344-Y657 HydrophobicContact CE1-CD2 3.93Å; F344-Y657 AromaticContact CE1-CE1 3.42Å; F344-Y657 HydrophobicContact CE1-CE1 3.42Å; F344-Y657 VanDerWaalsContact CE1-CE1 3.42Å; F344-Y657 AromaticContact CE1-CE2 3.94Å; F344-Y657 HydrophobicContact CE1-CE2 3.94Å; F344-Y657 AromaticContact CE1-CG 3.66Å; F344-Y657 HydrophobicContact CE1-CG 3.66Å; F344-Y657 AromaticContact CE1-CZ 3.7Å; F344-Y657 AromaticContact CZ-CD1 3.47Å; F344-Y657 HydrophobicContact CZ-CD1 3.47Å; F344-Y657 VanDerWaalsContact CZ-CD1 3.47Å; F344-Y657 AromaticContact CZ-CE1 3.56Å; F344-Y657 HydrophobicContact CZ-CE1 3.56Å; F344-Y657 HydrophobicContact CZ-CG 4.11Å
345	Y	46.6	Very low	40.1	Very low	53 Å²	53	93.7 Å²	93.7	21%	0.208	51%	0.505	C	S	.	.	H	α-helix	trans	-63.2	-44.8	171.8	-86.7	-77.9	0	0	0	112.2	I341 D342 E347 N348 C349 Y657 C674 Q677	I341-Y345 HydrophobicContact CG2-CD2 3.64Å; I341-Y345 HydrophobicContact CG2-CE2 3.64Å; I341-Y345 WeakPolarHBondContact O-CD2 3.41Å; I341-Y345 PolarHBondContact O-N 2.93Å; D342-Y345 PolarHBondContact O-N 3.21Å; Y345-E347 VanDerWaalsContact C-N 3.34Å; Y345-E347 PolarHBondContact O-N 3.02Å; Y345-N348 PolarHBondContact O-N 3.38Å; Y345-C349 VanDerWaalsContact CD1-SG 3.59Å; Y345-C349 VanDerWaalsContact O-CB 3.27Å; Y345-C349 WeakPolarHBondContact O-CB 3.24Å; Y345-C349 PolarHBondContact O-N 2.94Å; Y345-Y657 AromaticContact CE1-CE2 3.96Å; Y345-Y657 HydrophobicContact CE1-CE2 3.96Å; Y345-Y657 AromaticContact CZ-CE2 3.9Å; Y345-C674 HydrophobicContact CE1-CB 3.85Å; Y345-C674 WeakPolarHBondContact OH-CA 3.37Å; Y345-C674 WeakPolarHBondContact OH-CB 3.35Å; Y345-Q677 PolarHBondContact OH-OE1 3.41Å
346	A	53	Low	39.8	Very low	66 Å²	66	92 Å²	92	55%	0.545	50%	0.5	S	S	.	.	H	α-helix	trans	-61.9	-40.4	175.8	0	0	0	0	0	112.4	D342 R343 A350	D342-A346 WeakPolarHBondContact O-CB 3.37Å; D342-A346 PolarHBondContact O-N 3.24Å; R343-A346 PolarHBondContact O-N 2.72Å; A346-A350 VanDerWaalsContact O-CB 3.29Å; A346-A350 WeakPolarHBondContact O-CB 3.37Å
347	E	44	Very low	39.2	Very low	111 Å²	111	96.5 Å²	96.5	52%	0.519	51%	0.512	S	S	.	.	H	α-helix	trans	-75.8	-25.1	-179.5	-72.2	171.5	166.9	0	0	113.4	R343 F344 Y345	R343-E347 HydrophobicContact CG-CG 4.4Å; R343-E347 IonicContact CZ-OE1 3.69Å; R343-E347 IonicContact NE-OE1 2.96Å; R343-E347 PolarHBondContact NE-OE1 3.17Å; R343-E347 IonicContact NE-OE2 3.17Å; R343-E347 IonicContact NH2-OE1 2.71Å; R343-E347 PolarHBondContact NH2-OE1 3.1Å; R343-E347 WeakPolarHBondContact O-CB 3.42Å; R343-E347 WeakPolarHBondContact O-CG 3.34Å; R343-E347 PolarHBondContact O-N 2.91Å; F344-E347 PolarHBondContact O-N 3.05Å; Y345-E347 VanDerWaalsContact C-N 3.34Å; Y345-E347 PolarHBondContact O-N 3.02Å
348	N	37.3	Very low	38.7	Very low	75 Å²	75	95.6 Å²	95.6	40%	0.401	52%	0.518	S	S	.	.	H	α-helix	trans	-116.1	-19.1	-172.8	-65.7	-93.4	0	0	0	115.8	F344 Y345 S351	F344-N348 VanDerWaalsContact CD2-ND2 3.34Å; F344-N348 WeakPolarHBondContact CD2-ND2 3.49Å; F344-N348 WeakPolarHBondContact CE2-ND2 3.45Å; F344-N348 WeakPolarHBondContact O-CB 3.28Å; F344-N348 PolarHBondContact O-N 3.01Å; F344-N348 PolarHBondContact O-ND2 3.45Å; Y345-N348 PolarHBondContact O-N 3.38Å; N348-S351 PolarHBondContact O-OG 2.81Å
349	C	40	Very low	37.8	Very low	46 Å²	46	96 Å²	96	31%	0.311	54%	0.535	S	S	.	.	H	α-helix	trans	-103.1	-19.5	180	-64.5	0	0	0	0	113.8	Y345 S351 K352	Y345-C349 VanDerWaalsContact CD1-SG 3.59Å; Y345-C349 VanDerWaalsContact O-CB 3.27Å; Y345-C349 WeakPolarHBondContact O-CB 3.24Å; Y345-C349 PolarHBondContact O-N 2.94Å; C349-S351 PolarHBondContact O-N 2.58Å; C349-S351 VanDerWaalsContact O-N 3.16Å; C349-K352 PolarHBondContact O-N 2.71Å
350	A	37.9	Very low	37.5	Very low	69 Å²	69	99.2 Å²	99.2	57%	0.57	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-60.2	-25.5	177.9	0	0	0	0	0	113.3	A346 K352	A346-A350 VanDerWaalsContact O-CB 3.29Å; A346-A350 WeakPolarHBondContact O-CB 3.37Å; A350-K352 VanDerWaalsContact C-N 3.3Å; A350-K352 PolarHBondContact O-N 3.19Å
351	S	35.2	Very low	36.6	Very low	107 Å²	107	103.1 Å²	103.1	75%	0.748	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-75.2	-9.6	176.7	49.6	0	0	0	0	114.8	N348 C349	N348-S351 PolarHBondContact O-OG 2.81Å; C349-S351 PolarHBondContact O-N 2.58Å; C349-S351 VanDerWaalsContact O-N 3.16Å
352	K	38.5	Very low	35.7	Very low	142 Å²	142	108.2 Å²	108.2	62%	0.617	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-99.8	-10.6	-179.9	-119.6	175.6	178.9	174.8	0	114	C349 A350 E664	C349-K352 PolarHBondContact O-N 2.71Å; A350-K352 VanDerWaalsContact C-N 3.3Å; A350-K352 PolarHBondContact O-N 3.19Å; K352-E664 IonicContact NZ-OE1 3.11Å; K352-E664 PolarHBondContact NZ-OE1 2.9Å
353	L	31.4	Very low	35.1	Very low	149 Å²	149	109.5 Å²	109.5	78%	0.78	62%	0.62	S	S	*	*	S	Bend	trans	-89.8	103.5	172.4	-77.7	168.3	0	0	0	109.8
354	G	26.6	Very low	34.3	Very low	61 Å²	61	112.2 Å²	112.2	63%	0.629	64%	0.637	S	S	*	*			trans	-58.2	152.2	175.6	0	0	0	0	0	112.7	V356	G354-V356 PolarHBondContact O-N 3.01Å
355	S	26.2	Very low	33.6	Very low	106 Å²	106	113.6 Å²	113.6	74%	0.741	66%	0.661	S	S	*	*			trans	-61.3	91.4	-174.2	-175	0	0	0	0	113.4	Y357	S355-Y357 PolarHBondContact O-N 2.66Å
356	V	27.4	Very low	32.6	Very low	121 Å²	121	119.1 Å²	119.1	73%	0.733	69%	0.693	S	S	*	*			trans	-82.7	87.4	166.5	-177.3	0	0	0	0	108.6	G354 N358	G354-V356 PolarHBondContact O-N 3.01Å; V356-N358 PolarHBondContact O-N 2.9Å
357	Y	24	Very low	31.6	Very low	199 Å²	199	122.4 Å²	122.4	78%	0.78	70%	0.7	S	S	*	*			trans	-66.8	93.6	169.2	-116.5	-94.9	0	0	0	109.6	S355 S359	S355-Y357 PolarHBondContact O-N 2.66Å; Y357-S359 PolarHBondContact O-N 3.36Å
358	N	28.6	Very low	30.7	Very low	145 Å²	145	123.7 Å²	123.7	78%	0.775	71%	0.711	S	S	*	*			trans	-91	87.5	161.6	-92.8	-38.4	0	0	0	108.8	V356 D360	V356-N358 PolarHBondContact O-N 2.9Å; N358-D360 PolarHBondContact O-N 3.48Å
359	S	26.7	Very low	30.2	Very low	97 Å²	97	130.6 Å²	130.6	68%	0.678	73%	0.733	S	S	*	*			trans	-77.9	70.7	172.3	57.3	0	0	0	0	111	Y357	Y357-S359 PolarHBondContact O-N 3.36Å
360	D	28.9	Very low	29.6	Very low	146 Å²	146	133.9 Å²	133.9	78%	0.781	75%	0.752	S	S	*	*			trans	-169.8	119.2	156.3	-101.1	-29.4	0	0	0	111.3	N358	N358-D360 PolarHBondContact O-N 3.48Å
361	I	32.8	Very low	29	Very low	158 Å²	158	138.5 Å²	138.5	81%	0.81	77%	0.767	S	S	*	*			trans	159.8	100.4	151.6	-84.7	156.3	0	0	0	107.3
362	T	26.4	Very low	28.6	Very low	142 Å²	142	138.3 Å²	138.3	87%	0.871	77%	0.765	S	S	*	*			trans	-110.3	79.3	-174.6	-54.7	0	0	0	0	110.9
363	S	34.4	Very low	28.1	Very low	107 Å²	107	141.6 Å²	141.6	75%	0.748	78%	0.78	S	S	*	*			trans	-155.6	136.5	166.8	49	0	0	0	0	114.6
364	K	29	Very low	28	Very low	220 Å²	220	139.9 Å²	139.9	96%	0.957	78%	0.781	S	S	*	*			trans	-60.4	132.6	-177.8	-59.9	158.3	179.5	173.7	0	112.2
365	G	29.7	Very low	27.9	Very low	66 Å²	66	142.8 Å²	142.8	68%	0.68	79%	0.79	S	S	*	*			trans	-161.5	109	165.8	0	0	0	0	0	112.3
366	L	25.9	Very low	28	Very low	169 Å²	169	145.3 Å²	145.3	89%	0.885	80%	0.795	S	S	*	*			trans	-75.2	128	164.5	-83.5	76.3	0	0	0	108.2
367	I	32	Very low	28.1	Very low	135 Å²	135	145 Å²	145	69%	0.692	80%	0.796	S	S	*	*			trans	-128	112.5	168.6	-60.8	-178.3	0	0	0	108.4	Y369	I367-Y369 HydrophobicContact CG2-CD2 4.48Å; I367-Y369 HydrophobicContact CG2-CE2 4.23Å
368	N	26.7	Very low	28.5	Very low	138 Å²	138	141.2 Å²	141.2	74%	0.738	80%	0.798	S	S	*	*			trans	-75.5	127.6	172.4	-66.2	-38.9	0	0	0	109.4	T370	N368-T370 PolarHBondContact O-N 2.93Å
369	Y	26.5	Very low	28.6	Very low	220 Å²	220	144.5 Å²	144.5	86%	0.863	81%	0.806	S	S	*	*			trans	-92.2	94.2	169.5	-88.7	-87.7	0	0	0	110.8	I367	I367-Y369 HydrophobicContact CG2-CD2 4.48Å; I367-Y369 HydrophobicContact CG2-CE2 4.23Å
370	T	26.7	Very low	28.6	Very low	115 Å²	115	142.8 Å²	142.8	71%	0.706	80%	0.804	S	S	*	*			trans	-135.7	115.2	169.1	52.5	0	0	0	0	110.7	N368	N368-T370 PolarHBondContact O-N 2.93Å
371	N	25.6	Very low	28.7	Very low	166 Å²	166	144.9 Å²	144.9	89%	0.888	81%	0.808	S	S	*	*			trans	37.2	88.4	157.7	-62.3	-5.9	0	0	0	118.4
372	S	26.2	Very low	28.6	Very low	102 Å²	102	141.6 Å²	141.6	71%	0.713	80%	0.797	S	S	*	*			trans	-175.1	136.9	131.3	39.7	0	0	0	0	111.5
373	F	28.9	Very low	28.7	Very low	211 Å²	211	145.1 Å²	145.1	93%	0.925	80%	0.796	S	S	*	*				-162.6	139.3	116.7	-103.4	-66.6	0	0	0	110.1
374	S	29.5	Very low	28.4	Very low	114 Å²	114	146.9 Å²	146.9	80%	0.797	80%	0.797	S	S	*	*			trans	-90.8	159.6	-169.1	-53	0	0	0	0	112.7
375	C	23.3	Very low	28.3	Very low	121 Å²	121	141.2 Å²	141.2	82%	0.818	79%	0.785	S	S	*	*			trans	-66.4	142.6	170.7	-66.1	0	0	0	0	111.8
376	N	28.6	Very low	28.4	Very low	159 Å²	159	147.5 Å²	147.5	85%	0.85	80%	0.797	S	S	*	*			trans	-164.5	112.8	146.8	-109.8	-21.6	0	0	0	111.4
377	P	29.4	Very low	28.3	Very low	116 Å²	116	144.6 Å²	144.6	75%	0.753	79%	0.791	S	S	*	*			trans	-94.1	126.7	170.6	33.9	-28.4	0	0	0	111.3
378	S	33.8	Very low	28.2	Very low	118 Å²	118	146.1 Å²	146.1	83%	0.825	80%	0.799	S	S	*	*			trans	-122.7	148.4	175.1	-74.9	0	0	0	0	112
379	F	29.2	Very low	28	Very low	214 Å²	214	148.1 Å²	148.1	94%	0.939	80%	0.802	S	S	*	*			trans	-81.1	148.2	-165.5	-83.5	-116.5	0	0	0	115
380	G	26.9	Very low	28.3	Very low	62 Å²	62	144.2 Å²	144.2	64%	0.639	80%	0.8	S	S	*	*				90.4	106.2	129.7	0	0	0	0	0	118.8
381	H	31.8	Very low	28.3	Very low	190 Å²	190	143.7 Å²	143.7	88%	0.88	80%	0.802	S	S	*	*				-179	142.9	102.7	-99.9	-79.7	0	0	0	111
382	P	30.1	Very low	28.5	Very low	89 Å²	89	139.5 Å²	139.5	58%	0.578	80%	0.798	S	S	*	*			trans	-98.2	-178.5	174	38.2	-33.9	0	0	0	113.1
383	Y	28	Very low	28.7	Very low	216 Å²	216	139.4 Å²	139.4	85%	0.847	80%	0.797	S	S	*	*			trans	73	149.3	-174.5	-45.9	-74.9	0	0	0	113.9
384	N	29.4	Very low	28.7	Very low	144 Å²	144	135.8 Å²	135.8	77%	0.77	79%	0.787	S	S	*	*			cis	-139.2	159.3	5.5	-159.3	3.2	0	0	0	111.8
385	S	25.3	Very low	28.7	Very low	101 Å²	101	137.8 Å²	137.8	71%	0.706	79%	0.788	S	S	*	*			trans	-81.1	135.6	177.7	55.2	0	0	0	0	112.6
386	Q	31.8	Very low	29	Very low	197 Å²	197	136.2 Å²	136.2	92%	0.921	78%	0.779	S	S	*	*			trans	-145.6	124.2	154.5	-114.3	173.5	24.7	0	0	111.3
387	S	24.8	Very low	28.9	Very low	108 Å²	108	134 Å²	134	76%	0.755	78%	0.775	S	S	*	*			trans	-85	139	174.3	53.3	0	0	0	0	111.1
388	L	28.7	Very low	28.9	Very low	167 Å²	167	136.1 Å²	136.1	87%	0.874	78%	0.778	S	S	*	*			trans	-139	111	155.7	-98.3	173.1	0	0	0	110.4
389	F	24.4	Very low	28.7	Very low	181 Å²	181	134.9 Å²	134.9	79%	0.794	77%	0.769	S	S	*	*			trans	-72	141	161.4	-96.7	-108.6	0	0	0	109.2
390	V	31.7	Very low	28.8	Very low	137 Å²	137	133.2 Å²	133.2	83%	0.83	76%	0.764	S	S	*	*			trans	-131.5	92.8	157.5	-176.9	0	0	0	0	108.4
391	S	25.9	Very low	29.1	Very low	105 Å²	105	139.9 Å²	139.9	73%	0.734	78%	0.775	S	S	*	*			trans	-88.5	117.9	165.6	-59	0	0	0	0	108.4
392	G	30.8	Very low	29.4	Very low	78 Å²	78	136.4 Å²	136.4	80%	0.804	77%	0.77	S	S	*	*			trans	-129	80.9	-176.7	0	0	0	0	0	112
393	S	30.4	Very low	29.3	Very low	99 Å²	99	138.2 Å²	138.2	69%	0.692	78%	0.775	S	S	*	*			trans	-83.3	144.8	173.9	46.6	0	0	0	0	111.8
394	N	29.3	Very low	29.5	Very low	135 Å²	135	134.7 Å²	134.7	72%	0.722	77%	0.766	S	S	*	*				151.2	144.5	123.9	-85.8	-57.9	0	0	0	115.9
395	L	28.8	Very low	29.4	Very low	156 Å²	156	135.5 Å²	135.5	82%	0.817	77%	0.765	S	S	*	*			trans	67.2	146.9	154	-59.3	155.3	0	0	0	117.8
396	S	30.7	Very low	29.7	Very low	89 Å²	89	135.7 Å²	135.7	62%	0.622	77%	0.767	S	S	*	*			cis	-165.2	137.3	-15.8	-117.9	0	0	0	0	114.3
397	C	26	Very low	29.6	Very low	113 Å²	113	135 Å²	135	76%	0.764	76%	0.764	S	S	*	*			trans	52.6	166.5	134.3	-58.1	0	0	0	0	124.4
398	I	29.8	Very low	29.8	Very low	160 Å²	160	135 Å²	135	82%	0.821	76%	0.764	S	S	*	*			trans	81	97.7	169.7	-49.3	179.7	0	0	0	113.7
399	S	28	Very low	30.1	Very low	92 Å²	92	131.9 Å²	131.9	64%	0.643	76%	0.756	S	S	*	*				75	145.1	86.9	-113.7	0	0	0	0	114.3
400	E	33.1	Very low	30.5	Very low	179 Å²	179	132.4 Å²	132.4	84%	0.836	76%	0.758	S	S	*	*			cis	-148.7	-168.6	17.1	-151.3	136.5	-90.5	0	0	114
401	K	32.1	Very low	30.5	Very low	201 Å²	201	133.8 Å²	133.8	87%	0.874	76%	0.759	S	S	*	*			trans	-91.6	177.9	-158.9	-100.2	-168.2	175.2	-177.7	0	116.7
402	P	38.9	Very low	30.7	Very low	117 Å²	117	133.6 Å²	133.6	76%	0.76	76%	0.758	S	S	*	*			trans	-108.9	-171.8	-160.1	44.3	-38.8	0	0	0	114.8
403	N	28.3	Very low	30.6	Very low	128 Å²	128	134.1 Å²	134.1	68%	0.684	76%	0.755	S	S	*	*				156.6	164.2	128.6	-169	24.8	0	0	0	113
404	E	30.3	Very low	30.6	Very low	142 Å²	142	135.7 Å²	135.7	66%	0.664	76%	0.76	S	S	*	*			trans	65.5	151.3	158.9	-84	157.3	-150.8	0	0	120
405	Q	28.1	Very low	30.6	Very low	160 Å²	160	135.5 Å²	135.5	75%	0.748	76%	0.759	S	S	*	*			cis	-166.9	168.2	-24.3	-126.6	179.6	37.5	0	0	110.6
406	S	32.1	Very low	30.6	Very low	106 Å²	106	135.1 Å²	135.1	74%	0.741	76%	0.757	S	S	*	*			trans	71.9	160	160.2	84.3	0	0	0	0	119.5
407	Q	29.6	Very low	30.7	Very low	183 Å²	183	136.4 Å²	136.4	86%	0.855	77%	0.765	S	S	*	*			cis	-168.4	149.5	-25.7	-109.2	-176.1	17.1	0	0	111.7
408	S	28.6	Very low	30.8	Very low	108 Å²	108	135.5 Å²	135.5	76%	0.755	77%	0.765	S	S	*	*			trans	59.9	154.8	155.6	-138.7	0	0	0	0	119.9
409	S	35.7	Very low	30.7	Very low	101 Å²	101	131.4 Å²	131.4	71%	0.706	76%	0.763	S	S	*	*			cis	-144	166.8	4.6	-63.3	0	0	0	0	109
410	K	32.2	Very low	30.9	Very low	192 Å²	192	135.9 Å²	135.9	84%	0.835	77%	0.773	S	S	*	*			cis	92	143.5	14.9	-152.2	171.3	-173.1	176.6	0	116.8
411	L	30.9	Very low	30.7	Very low	165 Å²	165	133 Å²	133	86%	0.864	77%	0.768	S	S	*	*			trans	91.1	145.3	-176.7	-56.6	169.5	0	0	0	115.6
412	S	31.8	Very low	30.7	Very low	101 Å²	101	130 Å²	130	71%	0.706	77%	0.767	S	S	*	*			cis	-172.4	129.8	-15.2	49.4	0	0	0	0	108.7
413	A	28.6	Very low	30.3	Very low	90 Å²	90	129.7 Å²	129.7	74%	0.744	77%	0.767	S	S	*	*				88.9	160.1	66.9	0	0	0	0	0	115.7
414	V	29.2	Very low	30.5	Very low	131 Å²	131	127.4 Å²	127.4	79%	0.794	77%	0.766	S	S	*	*			trans	78.6	136.3	170.1	-173.5	0	0	0	0	115.6
415	N	30.9	Very low	30.6	Very low	131 Å²	131	130.1 Å²	130.1	70%	0.701	78%	0.776	S	S	*	*			cis	-147.5	153	-8.3	-106.8	-4.2	0	0	0	108
416	L	28	Very low	30.9	Very low	148 Å²	148	129.6 Å²	129.6	78%	0.775	77%	0.773	S	S	*	*			cis	89.2	148.5	49.9	-114.7	178.7	0	0	0	116
417	C	31.7	Very low	30.8	Very low	117 Å²	117	129 Å²	129	79%	0.791	77%	0.769	S	S	*	*			trans	85.2	148.1	176.8	-57	0	0	0	0	119.1
418	A	29.1	Very low	30.9	Very low	94 Å²	94	126.8 Å²	126.8	78%	0.777	76%	0.761	S	S	*	*			cis	-174.7	136.8	-28.9	0	0	0	0	0	111.3
419	G	28.2	Very low	31	Very low	74 Å²	74	126 Å²	126	76%	0.763	76%	0.761	S	S	*	*			trans	67	173	163.7	0	0	0	0	0	118
420	E	31.6	Very low	30.9	Very low	185 Å²	185	129.9 Å²	129.9	86%	0.864	77%	0.768	S	S	*	*			cis	-160.4	157.7	-19.1	-129.9	171.8	-161.4	0	0	111.5
421	T	29.9	Very low	30.7	Very low	119 Å²	119	129 Å²	129	73%	0.73	77%	0.769	S	S	*	*			trans	-12.2	151.9	171.3	56.8	0	0	0	0	123.2
422	V	31.9	Very low	30.6	Very low	139 Å²	139	125.9 Å²	125.9	84%	0.842	76%	0.762	S	S	*	*				178.8	158	111.6	150.7	0	0	0	0	113.5
423	S	30.7	Very low	30.5	Very low	110 Å²	110	125.1 Å²	125.1	77%	0.769	76%	0.756	S	S	*	*			trans	-106.8	-175.3	-154.7	-40.3	0	0	0	0	118.4
424	A	30.8	Very low	30.6	Very low	79 Å²	79	127.7 Å²	127.7	65%	0.653	76%	0.757	S	S	*	*			trans	82.2	152.2	156.7	0	0	0	0	0	117.6
425	F	33.1	Very low	30.8	Very low	200 Å²	200	132.4 Å²	132.4	88%	0.877	76%	0.762	S	S	*	*			cis	-140.9	-179.9	15.5	-74.6	-101.8	0	0	0	110.3
426	H	34.6	Very low	30.8	Very low	148 Å²	148	131.3 Å²	131.3	69%	0.685	77%	0.765	S	S	*	*			cis	-176.5	148.9	-40.4	179.9	-93.8	0	0	0	108.4
427	S	30.1	Very low	31	Very low	94 Å²	94	127 Å²	127	66%	0.657	76%	0.757	S	S	*	*			trans	-29	170.3	171.9	-40.4	0	0	0	0	119.2
428	I	31	Very low	31	Very low	136 Å²	136	128.6 Å²	128.6	70%	0.697	76%	0.763	S	S	*	*			cis	-165.3	135.3	48.1	-61.3	177.3	0	0	0	106.3
429	A	30.8	Very low	31	Very low	91 Å²	91	129 Å²	129	75%	0.752	76%	0.761	S	S	*	*				72.3	155.1	65.8	0	0	0	0	0	117.9
430	Q	34.5	Very low	31.1	Very low	183 Å²	183	131.7 Å²	131.7	86%	0.855	76%	0.761	S	S	*	*			trans	79	159.4	-178.3	-57.4	-180	-10.9	0	0	118.3
431	M	27.3	Very low	31	Very low	173 Å²	173	129 Å²	129	85%	0.852	76%	0.757	S	S	*	*				-172	152	-54.1	-113.1	-174	85	0	0	111.7
432	S	29.3	Very low	31.1	Very low	101 Å²	101	128 Å²	128	71%	0.706	76%	0.761	S	S	*	*			trans	81.2	130.5	154.8	-152.4	0	0	0	0	123.8
433	S	29.4	Very low	30.9	Very low	85 Å²	85	124.4 Å²	124.4	59%	0.594	75%	0.752	S	S	*	*			trans	56.1	117.3	138.5	60	0	0	0	0	124.5
434	D	30.4	Very low	31	Very low	143 Å²	143	127.5 Å²	127.5	77%	0.765	76%	0.759	S	S	*	*				52.3	122.8	122	-43.1	-28.7	0	0	0	122.6
435	Y	33.4	Very low	31.1	Very low	230 Å²	230	127.9 Å²	127.9	90%	0.902	76%	0.762	S	S	*	*				-169.2	176.5	102.9	-121.8	-100.1	0	0	0	112.8
436	S	31.4	Very low	31.5	Very low	108 Å²	108	124.2 Å²	124.2	76%	0.755	76%	0.758	S	S	*	*			trans	-122	157.4	-166.8	62	0	0	0	0	115.7
437	G	32.2	Very low	31.5	Very low	59 Å²	59	124.9 Å²	124.9	61%	0.608	77%	0.766	S	S	*	*			trans	125.2	134.2	132.1	0	0	0	0	0	120.6
438	T	30.8	Very low	31.5	Very low	149 Å²	149	127.4 Å²	127.4	91%	0.914	77%	0.771	S	S	*	*			trans	70	160.1	146.2	67	0	0	0	0	120.1
439	S	29.8	Very low	31.4	Very low	104 Å²	104	128.2 Å²	128.2	73%	0.727	78%	0.775	S	S	*	*			cis	-176.2	-174.9	-31.6	-171.1	0	0	0	0	109.1
440	V	30.8	Very low	31.3	Very low	129 Å²	129	130.6 Å²	130.6	78%	0.782	78%	0.775	S	S	*	*			trans	75.9	142.9	158.3	174	0	0	0	0	118.6
441	V	29.8	Very low	31	Very low	128 Å²	128	129.2 Å²	129.2	78%	0.776	77%	0.77	S	S	*	*			cis	-171.7	152.1	-37.4	107.9	0	0	0	0	111.6
442	A	30.3	Very low	31.2	Very low	99 Å²	99	127.8 Å²	127.8	82%	0.818	77%	0.766	S	S	*	*			trans	57.4	160.5	161.8	0	0	0	0	0	121
443	G	28.5	Very low	31.3	Very low	63 Å²	63	126.8 Å²	126.8	65%	0.649	76%	0.759	S	S	*	*			cis	158.2	175.9	-10	0	0	0	0	0	114
444	I	33.8	Very low	31.5	Very low	176 Å²	176	129.8 Å²	129.8	90%	0.903	76%	0.763	S	S	*	*			trans	72.5	148	165.8	-51	170.5	0	0	0	115.6
445	A	31.7	Very low	31.6	Very low	87 Å²	87	127.4 Å²	127.4	72%	0.719	75%	0.751	S	S	*	*			cis	-165.6	164.9	-35.7	0	0	0	0	0	109.1
446	P	41.8	Very low	31.7	Very low	123 Å²	123	120.1 Å²	120.1	80%	0.799	73%	0.734	S	S	*	*			trans	-105	178.6	-167.1	40.6	-36.3	0	0	0	116.1
447	N	34.4	Very low	31.8	Very low	161 Å²	161	122.4 Å²	122.4	86%	0.861	74%	0.737	S	S	*	*			trans	-150.5	172.6	164.5	-115.5	-46.3	0	0	0	113.5
448	I	29.7	Very low	32	Very low	148 Å²	148	126.8 Å²	126.8	76%	0.759	75%	0.747	S	S	*	*			trans	-128.7	157.5	-156.8	-52.4	164.7	0	0	0	111.6
449	I	29.7	Very low	32.1	Very low	152 Å²	152	129 Å²	129	78%	0.779	74%	0.744	S	S	*	*			trans	160.3	124.1	135.3	-82.3	160.2	0	0	0	116.5
450	L	28.4	Very low	32.4	Very low	142 Å²	142	128.8 Å²	128.8	74%	0.743	74%	0.743	S	S	*	*			trans	23.5	138.6	154.6	-68.9	99.2	0	0	0	127.5
451	M	28.5	Very low	32.5	Very low	153 Å²	153	126.5 Å²	126.5	75%	0.754	74%	0.738	S	S	*	*				33.5	150.2	125.9	-52.7	-61.8	-179.5	0	0	121.3
452	N	31.2	Very low	32.8	Very low	143 Å²	143	129.4 Å²	129.4	77%	0.765	74%	0.742	S	S	*	*			cis	-173.3	-176.2	2.9	-107.7	-4.1	0	0	0	108.6
453	S	31.7	Very low	33	Very low	81 Å²	81	129.1 Å²	129.1	57%	0.566	73%	0.734	S	S	*	*			cis	-172.8	156.7	-30.2	-175.2	0	0	0	0	110.4
454	Q	33	Very low	33.5	Very low	147 Å²	147	130.6 Å²	130.6	69%	0.687	74%	0.74	S	S	*	*			trans	62.9	173.6	161	-75.9	165.5	-102.9	0	0	119.2
455	N	32.6	Very low	33.7	Very low	94 Å²	94	128.5 Å²	128.5	50%	0.503	73%	0.731	S	S	.	*			cis	-138.3	171.6	-11.7	-115.9	15.9	0	0	0	107.8
456	S	35	Very low	34	Very low	77 Å²	77	128.8 Å²	128.8	54%	0.538	73%	0.728	S	S	.	*			cis	87.6	138.2	41.1	115.8	0	0	0	0	114.4
457	D	35.4	Very low	33.8	Very low	156 Å²	156	133.1 Å²	133.1	83%	0.834	73%	0.728	S	S	*	*			cis	-138.3	-104.7	2.6	-79.6	-61.2	0	0	0	117.1
458	D	35.8	Very low	33.9	Very low	151 Å²	151	133 Å²	133	81%	0.807	72%	0.72	S	S	*	*			trans	-145.7	-152.1	-152.9	-154.6	-88.3	0	0	0	116.5
459	F	33.5	Very low	34.2	Very low	194 Å²	194	132.2 Å²	132.2	85%	0.851	71%	0.714	S	S	*	*			trans	87.7	138.7	-170.3	-71.3	-89.5	0	0	0	116.7
460	S	34.2	Very low	34.6	Very low	101 Å²	101	129.6 Å²	129.6	71%	0.706	71%	0.709	S	S	*	*			cis	167.7	163.7	-13.3	-103.3	0	0	0	0	106.8
461	A	33.9	Very low	35	Very low	81 Å²	81	130.2 Å²	130.2	67%	0.669	71%	0.708	S	S	*	*			cis	-172.9	-173.1	-16.5	0	0	0	0	0	108.5
462	Q	36	Very low	35.4	Very low	188 Å²	188	129.6 Å²	129.6	88%	0.879	70%	0.703	S	S	*	*			trans	71.6	158.1	165.2	-67.8	-159.5	113.4	0	0	118.1
463	S	35.2	Very low	35.9	Very low	93 Å²	93	130.7 Å²	130.7	65%	0.65	71%	0.709	S	S	*	*			cis	-171.1	161.6	-18.6	50.9	0	0	0	0	112.4
464	A	38	Very low	36.2	Very low	94 Å²	94	134.8 Å²	134.8	78%	0.777	72%	0.719	S	S	*	*			trans	73.6	151	152.7	0	0	0	0	0	119
465	D	37.5	Very low	36.2	Very low	133 Å²	133	134.6 Å²	134.6	71%	0.711	72%	0.723	S	S	*	*			cis	-160.5	157.2	-13.5	-155.7	-4	0	0	0	113.1
466	S	38	Very low	36.4	Very low	93 Å²	93	135.4 Å²	135.4	65%	0.65	74%	0.736	S	S	*	*			trans	66.3	156.7	143.8	77.7	0	0	0	0	122.4
467	R	38.5	Very low	36.1	Very low	213 Å²	213	139.5 Å²	139.5	80%	0.804	74%	0.744	S	S	*	*			cis	-171.2	147.6	-22.7	-108.4	174	-177.2	179.1	1.9	110.9
468	K	36.8	Very low	36.1	Very low	158 Å²	158	139.7 Å²	139.7	69%	0.687	75%	0.745	S	S	*	*			trans	62.3	166	143.5	-74.4	-179.5	145.5	-150.1	0	119
469	E	35.8	Very low	35.8	Very low	133 Å²	133	140.5 Å²	140.5	62%	0.621	74%	0.744	S	S	*	*			cis	-151.6	148.6	2	-132	149.5	176.6	0	0	112.7
470	S	37.8	Very low	35.7	Very low	97 Å²	97	134.7 Å²	134.7	68%	0.678	74%	0.739	S	S	*	*			trans	37.5	165.3	135.2	77.9	0	0	0	0	123.5
471	Q	37.5	Very low	35.4	Very low	154 Å²	154	139.1 Å²	139.1	72%	0.72	75%	0.748	S	S	*	*			cis	-148.5	175	6.1	-159.3	156.8	-23	0	0	113.5
472	E	37	Very low	35.3	Very low	141 Å²	141	142.6 Å²	142.6	66%	0.659	76%	0.755	S	S	*	*			trans	-57.2	164.5	179.1	-53.3	92.7	-137.5	0	0	117.6
473	D	40.5	Very low	34.9	Very low	166 Å²	166	138.8 Å²	138.8	89%	0.888	75%	0.75	S	S	*	*				-167.6	154.4	109.3	-103.4	-25.3	0	0	0	112.7
474	E	37.3	Very low	34.6	Very low	167 Å²	167	145.6 Å²	145.6	78%	0.78	76%	0.761	S	S	*	*			trans	-112	160.3	-174.7	-65	-168.5	150.7	0	0	113.5
475	N	34.9	Very low	33.9	Very low	142 Å²	142	149.2 Å²	149.2	76%	0.759	76%	0.762	S	S	*	*				165.9	168.8	97.2	-120.7	-71	0	0	0	116.9
476	S	36.6	Very low	33.5	Very low	112 Å²	112	148.8 Å²	148.8	78%	0.783	77%	0.767	S	S	*	*			trans	94.6	136.8	155.2	-152.4	0	0	0	0	120.8
477	F	28.1	Very low	33.1	Very low	162 Å²	162	150.7 Å²	150.7	71%	0.711	77%	0.774	S	S	*	*			trans	-93.3	158.3	-174.2	-116.8	-121.7	0	0	0	112.7	H479	F477-H479 AromaticContact CD1-NE2 3.97Å; F477-H479 AromaticContact CE1-NE2 3.63Å
478	N	35.9	Very low	32.5	Very low	161 Å²	161	149 Å²	149	86%	0.861	78%	0.78	S	S	*	*				-165.6	158.4	122.1	-109.8	-60.4	0	0	0	113.6
479	H	29.2	Very low	32.1	Very low	168 Å²	168	146.1 Å²	146.1	78%	0.778	78%	0.78	S	S	*	*			trans	-83.5	152.6	-174.9	-76.1	-98.5	0	0	0	114	F477	F477-H479 AromaticContact CD1-NE2 3.97Å; F477-H479 AromaticContact CE1-NE2 3.63Å
480	G	31.4	Very low	31.6	Very low	72 Å²	72	145.5 Å²	145.5	74%	0.742	79%	0.791	S	S	*	*			trans	-165.2	110.8	164.9	0	0	0	0	0	110.8
481	E	27	Very low	31.2	Very low	193 Å²	193	147.3 Å²	147.3	90%	0.902	80%	0.797	S	S	*	*			trans	-68.9	142.4	177.3	-59	179.7	130	0	0	110.9
482	N	33.1	Very low	30.7	Very low	154 Å²	154	148.8 Å²	148.8	82%	0.824	80%	0.804	S	S	*	*			trans	-150.6	135.5	163.3	-102.1	-57.9	0	0	0	112.4
483	S	26.4	Very low	30.2	Very low	109 Å²	109	148 Å²	148	76%	0.762	81%	0.812	S	S	*	*			trans	-76.4	137.8	-175.1	179.6	0	0	0	0	112.3
484	W	29.2	Very low	29.7	Very low	235 Å²	235	147.8 Å²	147.8	89%	0.89	81%	0.811	S	S	*	*			trans	-115.7	110.6	170.9	-78.5	91.1	0	0	0	110.9
485	Q	23.9	Very low	29.3	Very low	170 Å²	170	145.5 Å²	145.5	79%	0.794	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-99.9	126.8	159.5	-73.3	-163.6	-18.3	0	0	109.8	V487	Q485-V487 PolarHBondContact O-N 3.03Å
486	P	28.7	Very low	29.2	Very low	124 Å²	124	150.2 Å²	150.2	81%	0.805	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-78.6	119.4	174.5	30.5	-32	0	0	0	110.8
487	V	29.2	Very low	29.1	Very low	134 Å²	134	154.6 Å²	154.6	81%	0.812	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-73	126.1	173.6	176.9	0	0	0	0	109.9	Q485 S489	Q485-V487 PolarHBondContact O-N 3.03Å; V487-S489 PolarHBondContact O-N 2.85Å; V487-S489 VanDerWaalsContact O-N 3.1Å
488	L	26.5	Very low	29.3	Very low	176 Å²	176	157.3 Å²	157.3	92%	0.921	83%	0.831	S	S	*	*			trans	-73.8	95.7	172.8	-86.8	164.8	0	0	0	111
489	S	28.4	Very low	29.5	Very low	99 Å²	99	155 Å²	155	69%	0.692	82%	0.818	S	S	*	*			trans	-82.8	143.5	163	53.9	0	0	0	0	110.8	V487	V487-S489 PolarHBondContact O-N 2.85Å; V487-S489 VanDerWaalsContact O-N 3.1Å
490	S	24.9	Very low	29.9	Very low	120 Å²	120	151.2 Å²	151.2	84%	0.839	81%	0.807	S	S	*	*			trans	-79.9	125.7	-170.6	45.7	0	0	0	0	112.9
491	V	29.1	Very low	30.2	Very low	135 Å²	135	154.2 Å²	154.2	82%	0.818	81%	0.806	S	S	*	*			trans	-111.7	106.3	171.5	-178.2	0	0	0	0	109.2	C493	V491-C493 PolarHBondContact O-N 3.39Å
492	Q	27.7	Very low	30.8	Very low	184 Å²	184	154.8 Å²	154.8	86%	0.86	81%	0.805	S	S	*	*			trans	-66.7	117.4	174.4	-70.7	178.3	-42.3	0	0	110.4	L494	Q492-L494 PolarHBondContact O-N 3.14Å
493	C	25.1	Very low	31.3	Very low	124 Å²	124	153.4 Å²	153.4	84%	0.838	79%	0.794	S	S	*	*			trans	-89.6	103.1	179	-151.7	0	0	0	0	110.7	V491 S495	V491-C493 PolarHBondContact O-N 3.39Å; C493-S495 PolarHBondContact O-N 2.67Å
494	L	31.5	Very low	31.7	Very low	162 Å²	162	157.1 Å²	157.1	85%	0.848	79%	0.791	S	S	*	*			trans	-69.9	120.3	179.9	-81.9	165.1	0	0	0	112.2	Q492 R496	Q492-L494 PolarHBondContact O-N 3.14Å; L494-R496 PolarHBondContact O-N 3.17Å
495	S	28.6	Very low	32	Very low	120 Å²	120	154.7 Å²	154.7	84%	0.839	79%	0.787	S	S	*	*			trans	-58.7	96.8	-176.8	-56.5	0	0	0	0	113.9	C493 K497	C493-S495 PolarHBondContact O-N 2.67Å; S495-K497 PolarHBondContact O-N 3.47Å; S495-K497 VanDerWaalsContact O-N 3.13Å
496	R	33.3	Very low	32.2	Very low	241 Å²	241	152.3 Å²	152.3	91%	0.909	78%	0.784	S	S	*	*			trans	-69.5	106.3	173.7	-87.3	-171.6	170.2	-167.6	-2.3	111.8	L494 R498	L494-R496 PolarHBondContact O-N 3.17Å; R496-R498 PolarHBondContact O-N 3.43Å
497	K	34.6	Very low	32.2	Very low	204 Å²	204	153.6 Å²	153.6	89%	0.887	79%	0.79	S	S	*	*			trans	-51.9	131.4	163.5	-73.2	-177.4	175.9	178.6	0	109.9	S495 L499	S495-K497 PolarHBondContact O-N 3.47Å; S495-K497 VanDerWaalsContact O-N 3.13Å; K497-L499 PolarHBondContact O-N 3.31Å
498	R	31.2	Very low	32.1	Very low	218 Å²	218	151.7 Å²	151.7	82%	0.823	78%	0.781	S	S	*	*			trans	-75.8	113.6	176.7	-66.7	-174.1	-178.4	-168.6	2.3	110.1	R496	R496-R498 PolarHBondContact O-N 3.43Å
499	L	41.3	Very low	32.2	Very low	112 Å²	112	150.2 Å²	150.2	59%	0.586	78%	0.779	S	S	*	*			trans	-65.1	140.7	166.8	-69.6	163.6	0	0	0	110	K497	K497-L499 PolarHBondContact O-N 3.31Å
500	T	36.8	Very low	32.2	Very low	90 Å²	90	150.4 Å²	150.4	55%	0.552	78%	0.78	S	S	*	*			trans	-81.1	157.4	-179.6	61.1	0	0	0	0	111.6	K502 Q503	T500-K502 PolarHBondContact O-N 3.1Å; T500-Q503 PolarHBondContact O-N 3.41Å
501	D	37.5	Very low	32.4	Very low	135 Å²	135	151.6 Å²	151.6	72%	0.722	78%	0.776	S	S	*	*	G	3₁₀ helix	trans	-64.3	-18.6	-170.3	-66.1	-57.9	0	0	0	115	Q503 R504	D501-Q503 PolarHBondContact O-N 3.28Å; D501-R504 PolarHBondContact O-N 3.19Å; D501-R504 WeakPolarHBondContact OD1-CD 3.21Å; D501-R504 IonicContact OD1-NE 2.68Å
502	K	40.4	Very low	32.6	Very low	205 Å²	205	153.4 Å²	153.4	89%	0.891	78%	0.78	S	S	*	*	G	3₁₀ helix	trans	-69	-13.9	170.8	-73.1	-171	175.8	-177.7	0	113.8	T500	T500-K502 PolarHBondContact O-N 3.1Å
503	Q	43.3	Very low	32.6	Very low	124 Å²	124	151.2 Å²	151.2	58%	0.579	77%	0.774	S	S	*	*	G	3₁₀ helix	trans	-105.3	8.5	178.4	-63.4	-178.5	-53.3	0	0	113.5	T500 D501	T500-Q503 PolarHBondContact O-N 3.41Å; D501-Q503 PolarHBondContact O-N 3.28Å
504	R	35.1	Very low	32.7	Very low	188 Å²	188	152.1 Å²	152.1	71%	0.709	77%	0.766	S	S	*	*	S	Bend	trans	-94.3	5.1	179.6	-73.8	-177.8	172	-105.5	1.5	114.9	D501	D501-R504 PolarHBondContact O-N 3.19Å; D501-R504 WeakPolarHBondContact OD1-CD 3.21Å; D501-R504 IonicContact OD1-NE 2.68Å
505	K	34.7	Very low	32.6	Very low	183 Å²	183	149.9 Å²	149.9	80%	0.796	76%	0.755	S	S	*	*	S	Bend	trans	-110.6	150.5	165.7	-66.2	-178.9	179.9	179.7	0	108.2
506	T	29.1	Very low	32.6	Very low	121 Å²	121	154.2 Å²	154.2	74%	0.742	75%	0.753	S	S	*	*			trans	77	82.5	-176.9	-44	0	0	0	0	115.2
507	V	27.8	Very low	32.4	Very low	151 Å²	151	148.8 Å²	148.8	92%	0.915	75%	0.747	S	S	*	*			trans	-117.7	103.8	141.2	175.8	0	0	0	0	105.8
508	C	26.4	Very low	32.3	Very low	93 Å²	93	144.5 Å²	144.5	63%	0.628	74%	0.737	S	S	*	*			trans	-82.4	132	-177.3	-66.2	0	0	0	0	110.9
509	V	28.8	Very low	32.3	Very low	145 Å²	145	141.1 Å²	141.1	88%	0.879	74%	0.735	S	S	*	*			trans	-85.5	111.9	154.3	177.5	0	0	0	0	106.5
510	S	28.4	Very low	31.9	Very low	104 Å²	104	139.9 Å²	139.9	73%	0.727	74%	0.736	S	S	*	*			trans	-123.1	78.5	-176.9	58	0	0	0	0	110.9
511	I	30.1	Very low	31.7	Very low	145 Å²	145	142 Å²	142	74%	0.744	74%	0.744	S	S	*	*			trans	-129.6	102.9	167.5	-59.1	-176.7	0	0	0	109.2
512	L	33.3	Very low	31.7	Very low	172 Å²	172	142.7 Å²	142.7	90%	0.901	75%	0.746	S	S	*	*			trans	61.5	134.4	155.4	-60.4	171.5	0	0	0	120.2
513	N	26.5	Very low	31.5	Very low	138 Å²	138	137.9 Å²	137.9	74%	0.738	74%	0.736	S	S	*	*			trans	-98.6	-177.1	173.9	-176.2	27.5	0	0	0	109.1
514	E	28.3	Very low	31.1	Very low	144 Å²	144	138.5 Å²	138.5	67%	0.673	74%	0.739	S	S	*	*			trans	77.2	141.6	162.7	-63.4	-177.3	-135.2	0	0	117
515	N	30	Very low	31.2	Very low	115 Å²	115	136.5 Å²	136.5	62%	0.615	74%	0.743	S	S	*	*			cis	-146.8	134.3	4	-115.7	-36.6	0	0	0	114.7
516	R	28.3	Very low	31.3	Very low	211 Å²	211	133.2 Å²	133.2	80%	0.796	73%	0.73	S	S	*	*			trans	37.3	125.4	138.9	-72.5	178.8	170.3	-168.1	-1.8	123.6
517	T	28.7	Very low	31.6	Very low	127 Å²	127	131.8 Å²	131.8	78%	0.779	72%	0.721	S	S	*	*			trans	68.3	154.6	136.3	62.6	0	0	0	0	117.7
518	V	33.2	Very low	31.9	Very low	114 Å²	114	129.6 Å²	129.6	69%	0.691	71%	0.708	S	S	*	*			cis	-153	144.7	36.6	163.9	0	0	0	0	111.2
519	N	31.2	Very low	32.4	Very low	146 Å²	146	132.4 Å²	132.4	78%	0.781	71%	0.712	S	S	*	*			trans	21.3	154.2	145.2	-52.5	-0.2	0	0	0	122.1
520	S	32.4	Very low	32.6	Very low	86 Å²	86	131.9 Å²	131.9	60%	0.601	70%	0.704	S	S	*	*			cis	179.4	161.8	-7.7	49.6	0	0	0	0	112.9
521	N	33.5	Very low	33	Very low	134 Å²	134	132.9 Å²	132.9	72%	0.717	71%	0.711	S	S	*	*			trans	78.8	138.4	159.3	-50.4	-27	0	0	0	118.9
522	I	37.1	Very low	33.1	Very low	150 Å²	150	131.7 Å²	131.7	77%	0.769	72%	0.716	S	S	*	*			cis	102.3	133	16.8	-69.6	169.8	0	0	0	113.4
523	P	35.4	Very low	33.2	Very low	105 Å²	105	129.1 Å²	129.1	68%	0.682	71%	0.707	S	S	*	*			cis	-154.7	-173.5	-19.6	46	-25.5	0	0	0	119.5
524	Q	34.7	Very low	33.5	Very low	136 Å²	136	128.6 Å²	128.6	64%	0.636	71%	0.714	S	S	*	*			trans	47.9	135	141.4	-64	-125.8	-102.5	0	0	126.7
525	D	37.2	Very low	33.9	Very low	147 Å²	147	129.8 Å²	129.8	79%	0.786	72%	0.718	S	S	*	*				-177.8	123.9	110	-91.7	-7.2	0	0	0	108.8
526	E	36	Very low	34	Very low	114 Å²	114	130.2 Å²	130.2	53%	0.533	72%	0.72	S	S	.	*				75.9	130.1	75.3	-76.7	-61	101.8	0	0	116.5
527	T	35.8	Very low	34.7	Very low	90 Å²	90	126.4 Å²	126.4	55%	0.552	71%	0.714	S	S	*	*			cis	-142.1	-137.8	-8.6	-24.2	0	0	0	0	110.4
528	T	33.8	Very low	35.3	Very low	105 Å²	105	125 Å²	125	64%	0.644	71%	0.709	S	S	*	*			cis	-164.3	161.4	8	-17.7	0	0	0	0	113.7
529	H	38.6	Very low	35.6	Very low	153 Å²	153	124.3 Å²	124.3	71%	0.708	71%	0.709	S	S	*	*			trans	72.1	117.3	149.6	-74.1	-46.1	0	0	0	126.9
530	N	33.3	Very low	36	Very low	134 Å²	134	122.9 Å²	122.9	72%	0.717	70%	0.701	S	S	*	*				58.6	121	126.9	-52.6	1.2	0	0	0	123.6
531	S	36.3	Very low	36.2	Very low	125 Å²	125	127.7 Å²	127.7	87%	0.874	71%	0.714	S	S	*	*				170.7	164.8	111.6	50.4	0	0	0	0	113.8
532	S	31.9	Very low	36.4	Very low	120 Å²	120	132.4 Å²	132.4	84%	0.839	72%	0.722	S	S	*	*			trans	-91.9	143.3	-171.7	-49.3	0	0	0	0	113.9
533	T	35.5	Very low	36.4	Very low	118 Å²	118	133.2 Å²	133.2	72%	0.724	72%	0.722	S	S	*	*			trans	-134.8	126	159.5	43.9	0	0	0	0	111.5	F535	T533-F535 HydrophobicContact CG2-CE2 4.3Å
534	S	31.8	Very low	36.4	Very low	126 Å²	126	134.8 Å²	134.8	88%	0.881	73%	0.725	S	S	*	*			trans	-95.3	125.6	165.8	-179.6	0	0	0	0	107.6
535	F	37.1	Very low	36.2	Very low	170 Å²	170	136.7 Å²	136.7	75%	0.746	73%	0.734	S	S	*	*			trans	-107.4	118	179.2	-90.3	-85.4	0	0	0	111	T533	T533-F535 HydrophobicContact CG2-CE2 4.3Å
536	D	31.6	Very low	36	Very low	124 Å²	124	137.5 Å²	137.5	66%	0.663	74%	0.736	S	S	*	*			trans	-76.4	128.7	173.4	-160.8	-40.8	0	0	0	110	S538	D536-S538 VanDerWaalsContact C-N 3.33Å; D536-S538 WeakPolarHBondContact OD1-CB 3.37Å; D536-S538 PolarHBondContact OD1-N 3.46Å; D536-S538 PolarHBondContact OD1-OG 3.19Å
537	I	44.7	Very low	35.7	Very low	130 Å²	130	137.7 Å²	137.7	67%	0.667	75%	0.749	S	S	*	*			trans	-86.1	-10	-173.5	-66.6	175.4	0	0	0	111.5	S539 L540	I537-S539 PolarHBondContact O-N 3.18Å; I537-L540 HydrophobicContact CG2-CD1 4.48Å; I537-L540 PolarHBondContact O-N 3.09Å
538	S	40.2	Very low	35.4	Very low	98 Å²	98	142.1 Å²	142.1	69%	0.685	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.1	-20.5	-170.9	-56.2	0	0	0	0	115.4	D536	D536-S538 VanDerWaalsContact C-N 3.33Å; D536-S538 WeakPolarHBondContact OD1-CB 3.37Å; D536-S538 PolarHBondContact OD1-N 3.46Å; D536-S538 PolarHBondContact OD1-OG 3.19Å
539	S	40.4	Very low	35.1	Very low	99 Å²	99	142.8 Å²	142.8	69%	0.692	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-19.6	-178.3	-55.9	0	0	0	0	115.1	I537 H541	I537-S539 PolarHBondContact O-N 3.18Å; S539-H541 PolarHBondContact O-N 2.98Å
540	L	37.9	Very low	34.8	Very low	116 Å²	116	143.2 Å²	143.2	61%	0.607	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	1.2	-170	-73.8	172.2	0	0	0	115.3	I537 N544	I537-L540 HydrophobicContact CG2-CD1 4.48Å; I537-L540 PolarHBondContact O-N 3.09Å; L540-N544 PolarHBondContact O-ND2 2.78Å
541	H	38	Very low	34.6	Very low	187 Å²	187	141.6 Å²	141.6	87%	0.866	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	1.8	-171.9	-117.3	-72.3	0	0	0	115.4	S539	S539-H541 PolarHBondContact O-N 2.98Å
542	R	37.6	Very low	34.7	Very low	234 Å²	234	143.9 Å²	143.9	88%	0.883	77%	0.77	S	S	*	*	S	Bend	trans	-116.9	-5	-171.6	-160	176.9	-75.5	-141.4	0.5	115.8
543	E	36.8	Very low	34.8	Very low	166 Å²	166	143.8 Å²	143.8	78%	0.776	77%	0.769	S	S	*	*	S	Bend	trans	-120	9.5	-168.6	-61.7	-176.3	154.7	0	0	115
544	N	34.5	Very low	34.6	Very low	138 Å²	138	141.1 Å²	141.1	74%	0.738	77%	0.765	S	S	*	*	S	Bend	trans	-103.4	15.1	-176.3	-76.2	-68.2	0	0	0	114.8	L540	L540-N544 PolarHBondContact O-ND2 2.78Å
545	E	30.7	Very low	34.7	Very low	177 Å²	177	141.5 Å²	141.5	83%	0.827	76%	0.758	S	S	*	*			trans	-119.3	107.6	165.5	-68.8	-171.4	170.2	0	0	109.2
546	I	33.4	Very low	34.5	Very low	164 Å²	164	138.8 Å²	138.8	84%	0.841	76%	0.76	S	S	*	*			trans	174	150	154.6	-95.9	154	0	0	0	110
547	C	29.3	Very low	34.6	Very low	118 Å²	118	141.4 Å²	141.4	80%	0.797	76%	0.761	S	S	*	*			trans	56.9	85.7	170.6	-76.4	0	0	0	0	118.6
548	L	29.3	Very low	34.1	Very low	183 Å²	183	139.9 Å²	139.9	96%	0.958	77%	0.769	S	S	*	*			trans	-104.5	77.4	142.4	-179.5	76.9	0	0	0	109
549	D	28.3	Very low	33.9	Very low	118 Å²	118	147.9 Å²	147.9	63%	0.631	78%	0.784	S	S	*	*			trans	-162	148.4	158.4	-153.2	-3.6	0	0	0	111.8
550	Q	31.5	Very low	33.8	Very low	162 Å²	162	146.8 Å²	146.8	76%	0.757	78%	0.781	S	S	*	*			trans	53.7	147.1	166.2	-72.2	155.7	63.2	0	0	118.1
551	S	30.7	Very low	34.3	Very low	101 Å²	101	147.2 Å²	147.2	71%	0.706	79%	0.794	S	S	*	*			cis	-166.1	121.6	-10.8	48.4	0	0	0	0	108.6
552	I	37.3	Very low	34.8	Very low	172 Å²	172	146.3 Å²	146.3	88%	0.882	79%	0.787	S	S	*	*			trans	-138	97.3	169.5	-54.9	-178.6	0	0	0	110.5
553	S	33.5	Very low	35.5	Very low	118 Å²	118	137.9 Å²	137.9	83%	0.825	76%	0.764	S	S	*	*			trans	-90	128.1	163.3	53.4	0	0	0	0	110.4
554	G	31.6	Very low	36.4	Very low	62 Å²	62	134.7 Å²	134.7	64%	0.639	75%	0.752	S	S	*	*			trans	72.7	101.1	158.6	0	0	0	0	0	117.8
555	N	35.4	Very low	37.3	Very low	135 Å²	135	136.8 Å²	136.8	72%	0.722	76%	0.755	S	S	*	*				-167.7	143.1	104.7	-95.4	-30.2	0	0	0	111.5	Y557	N555-Y557 HydrophobicContact CB-CE2 4.18Å; N555-Y557 VanDerWaalsContact CG-OH 3.29Å; N555-Y557 PolarHBondContact OD1-OH 3.21Å
556	S	32.7	Very low	38.2	Very low	113 Å²	113	133.7 Å²	133.7	79%	0.79	74%	0.743	S	S	*	*			trans	-131.3	68.5	-160.3	177	0	0	0	0	112.9
557	Y	32.6	Very low	39.2	Very low	178 Å²	178	131.3 Å²	131.3	70%	0.698	73%	0.727	S	S	*	*			trans	-146.7	157.8	172.6	5	-88	0	0	0	112.4	N555	N555-Y557 HydrophobicContact CB-CE2 4.18Å; N555-Y557 VanDerWaalsContact CG-OH 3.29Å; N555-Y557 PolarHBondContact OD1-OH 3.21Å
558	A	35.5	Very low	40.2	Very low	99 Å²	99	131 Å²	131	82%	0.818	72%	0.717	S	S	*	*			trans	69.9	38.4	173.1	0	0	0	0	0	118.8	A560	A558-A560 PolarHBondContact O-N 2.9Å
559	W	35.4	Very low	41.5	Very low	265 Å²	265	126 Å²	126	100%	1.004	69%	0.694	S	S	*	*			trans	-96.4	66.6	166.6	-75.4	12	0	0	0	113.1
560	A	38.9	Very low	43	Very low	77 Å²	77	123.5 Å²	123.5	64%	0.636	69%	0.686	S	S	*	*			trans	-134.3	155.5	168.5	0	0	0	0	0	110.8	A558 K562	A558-A560 PolarHBondContact O-N 2.9Å; A560-K562 VanDerWaalsContact C-N 3.35Å; A560-K562 PolarHBondContact O-N 3.08Å
561	S	48.3	Very low	44.3	Very low	125 Å²	125	124.8 Å²	124.8	87%	0.874	68%	0.684	S	S	*	*	S	Bend	trans	66.6	8.2	170.5	-49.8	0	0	0	0	119.3
562	K	47.7	Very low	45.6	Very low	168 Å²	168	124.5 Å²	124.5	73%	0.73	67%	0.674	S	S	*	*			trans	-118.7	0.4	168.9	-80.5	-175.5	177.5	175.8	0	115.5	A560 D564 L566	A560-K562 VanDerWaalsContact C-N 3.35Å; A560-K562 PolarHBondContact O-N 3.08Å; K562-D564 PolarHBondContact O-N 3.02Å; K562-L566 HydrophobicContact CB-CD1 4.37Å
563	S	52.9	Low	46.7	Very low	57 Å²	57	126.2 Å²	126.2	40%	0.399	67%	0.669	S	S	.	*	H	α-helix	trans	-54.8	-43.5	-171.9	37.3	0	0	0	0	115	K567	S563-K567 VanDerWaalsContact O-CG 3.32Å; S563-K567 WeakPolarHBondContact O-CG 3.36Å; S563-K567 PolarHBondContact O-N 2.74Å; S563-K567 VanDerWaalsContact O-N 3.1Å
564	D	54	Low	48.3	Very low	98 Å²	98	124.3 Å²	124.3	52%	0.524	66%	0.656	S	S	.	*	H	α-helix	trans	-93.4	-28.1	-159.3	-57.8	-72.5	0	0	0	113.7	K562 L566 K567 L568	K562-D564 PolarHBondContact O-N 3.02Å; D564-L566 VanDerWaalsContact C-N 3.31Å; D564-K567 PolarHBondContact O-N 3.01Å; D564-K567 WeakPolarHBondContact OD1-CD 3.42Å; D564-K567 WeakPolarHBondContact OD1-CE 3.49Å; D564-K567 IonicContact OD1-NZ 2.66Å; D564-K567 PolarHBondContact OD1-NZ 3.34Å; D564-L568 PolarHBondContact O-N 2.84Å
565	K	53.6	Low	49.8	Very low	183 Å²	183	125.8 Å²	125.8	80%	0.796	65%	0.645	S	S	*	*	H	α-helix	trans	-65.2	-36.5	165.9	-122.5	177.4	-178.2	179.9	0	111	L568 T569	K565-L568 PolarHBondContact O-N 3.43Å; K565-T569 PolarHBondContact O-N 2.96Å; K565-T569 VanDerWaalsContact O-N 3.17Å; K565-T569 PolarHBondContact O-OG1 3.47Å
566	L	49.6	Very low	51.1	Low	111 Å²	111	128.6 Å²	128.6	58%	0.581	65%	0.645	S	S	*	*	H	α-helix	trans	-70.4	-34.5	175.8	-71.7	170.4	0	0	0	113.2	K562 D564 L568 T569 S570	K562-L566 HydrophobicContact CB-CD1 4.37Å; D564-L566 VanDerWaalsContact C-N 3.31Å; L566-L568 VanDerWaalsContact C-N 3.33Å; L566-L568 PolarHBondContact O-N 2.84Å; L566-T569 PolarHBondContact O-OG1 2.81Å; L566-S570 VanDerWaalsContact O-CB 3.28Å; L566-S570 WeakPolarHBondContact O-CB 3.47Å; L566-S570 PolarHBondContact O-N 3.08Å; L566-S570 PolarHBondContact O-OG 2.71Å
567	K	54.9	Low	52.4	Low	114 Å²	114	130.7 Å²	130.7	50%	0.496	64%	0.637	S	S	.	*	H	α-helix	trans	-64.3	-33.9	173.1	-73.2	167.1	-160.9	166.5	0	112.8	S563 D564 S570 R571	S563-K567 VanDerWaalsContact O-CG 3.32Å; S563-K567 WeakPolarHBondContact O-CG 3.36Å; S563-K567 PolarHBondContact O-N 2.74Å; S563-K567 VanDerWaalsContact O-N 3.1Å; D564-K567 PolarHBondContact O-N 3.01Å; D564-K567 WeakPolarHBondContact OD1-CD 3.42Å; D564-K567 WeakPolarHBondContact OD1-CE 3.49Å; D564-K567 IonicContact OD1-NZ 2.66Å; D564-K567 PolarHBondContact OD1-NZ 3.34Å; K567-S570 WeakPolarHBondContact CA-OG 3.38Å; K567-S570 PolarHBondContact O-OG 3.12Å; K567-S570 VanDerWaalsContact O-OG 3.14Å; K567-R571 VanDerWaalsContact O-CG 3.31Å; K567-R571 WeakPolarHBondContact O-CG 3.18Å; K567-R571 PolarHBondContact O-N 2.95Å
568	L	51.5	Low	54	Low	111 Å²	111	124.4 Å²	124.4	58%	0.581	62%	0.619	S	S	*	*	H	α-helix	trans	-77.9	-44	178.6	-171.4	62.6	0	0	0	112	D564 K565 L566 R571 L572	D564-L568 PolarHBondContact O-N 2.84Å; K565-L568 PolarHBondContact O-N 3.43Å; L566-L568 VanDerWaalsContact C-N 3.33Å; L566-L568 PolarHBondContact O-N 2.84Å; L568-R571 PolarHBondContact O-N 2.64Å; L568-L572 HydrophobicContact CG-CD1 4.33Å; L568-L572 PolarHBondContact O-N 3.36Å
569	T	56.4	Low	55.4	Low	78 Å²	78	122.8 Å²	122.8	48%	0.479	60%	0.596	S	S	.	*	H	α-helix	trans	-68.7	-36	178.7	55.4	0	0	0	0	112.7	K565 L566 L572 R573	K565-T569 PolarHBondContact O-N 2.96Å; K565-T569 VanDerWaalsContact O-N 3.17Å; K565-T569 PolarHBondContact O-OG1 3.47Å; L566-T569 PolarHBondContact O-OG1 2.81Å; T569-L572 PolarHBondContact O-N 2.68Å; T569-R573 WeakPolarHBondContact O-CB 3.19Å; T569-R573 PolarHBondContact O-N 3.44Å
570	S	59.3	Low	56.6	Low	67 Å²	67	112.9 Å²	112.9	47%	0.469	57%	0.571	S	S	.	*	H	α-helix	trans	-63.9	-40	172.7	52.6	0	0	0	0	112.7	L566 K567 R573 S574	L566-S570 VanDerWaalsContact O-CB 3.28Å; L566-S570 WeakPolarHBondContact O-CB 3.47Å; L566-S570 PolarHBondContact O-N 3.08Å; L566-S570 PolarHBondContact O-OG 2.71Å; K567-S570 WeakPolarHBondContact CA-OG 3.38Å; K567-S570 PolarHBondContact O-OG 3.12Å; K567-S570 VanDerWaalsContact O-OG 3.14Å; S570-R573 PolarHBondContact O-N 2.61Å; S570-S574 WeakPolarHBondContact O-CB 3.39Å; S570-S574 PolarHBondContact O-N 3.27Å
571	R	58.7	Low	57.7	Low	188 Å²	188	111.8 Å²	111.8	71%	0.709	55%	0.554	S	S	*	*	H	α-helix	trans	-60.9	-45.3	171.5	-75.5	176.9	-176.8	-164.3	1.7	112.2	K567 L568 S574 K575	K567-R571 VanDerWaalsContact O-CG 3.31Å; K567-R571 WeakPolarHBondContact O-CG 3.18Å; K567-R571 PolarHBondContact O-N 2.95Å; L568-R571 PolarHBondContact O-N 2.64Å; R571-S574 PolarHBondContact O-N 2.99Å; R571-K575 WeakPolarHBondContact O-CB 3.38Å; R571-K575 PolarHBondContact O-N 3.29Å
572	L	58.6	Low	58.2	Low	95 Å²	95	108.4 Å²	108.4	50%	0.497	53%	0.526	S	S	.	.	H	α-helix	trans	-65.9	-38.5	178	-73.6	164.7	0	0	0	112.7	L568 T569 R576	L568-L572 HydrophobicContact CG-CD1 4.33Å; L568-L572 PolarHBondContact O-N 3.36Å; T569-L572 PolarHBondContact O-N 2.68Å; L572-R576 WeakPolarHBondContact O-CG 3.39Å; L572-R576 PolarHBondContact O-N 3.03Å; L572-R576 VanDerWaalsContact O-N 3.11Å
573	R	59.7	Low	58.6	Low	209 Å²	209	107 Å²	107	79%	0.789	53%	0.526	S	S	*	.	H	α-helix	trans	-70.2	-42.4	176.9	-156.5	177.1	-163.4	-177.8	4.8	111.3	T569 S570 R576 Y577	T569-R573 WeakPolarHBondContact O-CB 3.19Å; T569-R573 PolarHBondContact O-N 3.44Å; S570-R573 PolarHBondContact O-N 2.61Å; R573-R576 PolarHBondContact O-N 3.44Å; R573-Y577 WeakPolarHBondContact O-CB 3.32Å; R573-Y577 PolarHBondContact O-N 3.39Å
574	S	66.7	Low	58.8	Low	77 Å²	77	109 Å²	109	54%	0.538	54%	0.536	S	S	.	.	H	α-helix	trans	-59.4	-46.2	172.9	-176.5	0	0	0	0	111.4	S570 R571 Y577 S578	S570-S574 WeakPolarHBondContact O-CB 3.39Å; S570-S574 PolarHBondContact O-N 3.27Å; R571-S574 PolarHBondContact O-N 2.99Å; S574-Y577 WeakPolarHBondContact O-CB 3.43Å; S574-Y577 PolarHBondContact O-N 3.46Å; S574-Y577 VanDerWaalsContact O-N 3.17Å; S574-S578 PolarHBondContact O-N 3.08Å; S574-S578 PolarHBondContact O-OG 3.24Å
575	K	63.9	Low	59.1	Low	93 Å²	93	112.6 Å²	112.6	40%	0.404	54%	0.542	S	S	.	.	H	α-helix	trans	-60.5	-48.3	177.4	-178.2	164.1	179.6	171.5	0	112.6	E64 R571 Y577 S578 D579	E64-K575 IonicContact OE1-NZ 3.84Å; E64-K575 PolarHBondContact OE1-NZ 3.01Å; R571-K575 WeakPolarHBondContact O-CB 3.38Å; R571-K575 PolarHBondContact O-N 3.29Å; K575-Y577 VanDerWaalsContact C-N 3.26Å; K575-Y577 PolarHBondContact O-N 2.8Å; K575-S578 WeakPolarHBondContact CA-OG 3.41Å; K575-S578 PolarHBondContact O-N 2.89Å; K575-S578 PolarHBondContact O-OG 3.28Å; K575-D579 WeakPolarHBondContact CG-OD2 3.32Å; K575-D579 WeakPolarHBondContact O-CB 3.42Å; K575-D579 PolarHBondContact O-N 3.3Å
576	R	61.6	Low	59.6	Low	195 Å²	195	109.9 Å²	109.9	74%	0.736	54%	0.536	S	S	*	.	H	α-helix	trans	-59.9	-36.4	175.4	-67.5	-174.2	-157.9	-174.4	5.4	112.7	L572 R573 D579 A580	L572-R576 WeakPolarHBondContact O-CG 3.39Å; L572-R576 PolarHBondContact O-N 3.03Å; L572-R576 VanDerWaalsContact O-N 3.11Å; R573-R576 PolarHBondContact O-N 3.44Å; R576-D579 PolarHBondContact O-N 2.9Å; R576-A580 WeakPolarHBondContact O-CB 3.31Å; R576-A580 PolarHBondContact O-N 3.24Å
577	Y	61.4	Low	60.9	Low	157 Å²	157	114.4 Å²	114.4	62%	0.616	55%	0.545	S	S	*	.	H	α-helix	trans	-69.6	-42.8	177.2	-167.2	-110.8	0	0	0	111.9	R573 S574 K575 D579 I581	R573-Y577 WeakPolarHBondContact O-CB 3.32Å; R573-Y577 PolarHBondContact O-N 3.39Å; S574-Y577 WeakPolarHBondContact O-CB 3.43Å; S574-Y577 PolarHBondContact O-N 3.46Å; S574-Y577 VanDerWaalsContact O-N 3.17Å; K575-Y577 VanDerWaalsContact C-N 3.26Å; K575-Y577 PolarHBondContact O-N 2.8Å; Y577-D579 VanDerWaalsContact C-N 3.35Å; Y577-I581 HydrophobicContact CD1-CD1 3.74Å; Y577-I581 HydrophobicContact CE1-CD1 3.38Å; Y577-I581 HydrophobicContact CE2-CD1 4.29Å; Y577-I581 HydrophobicContact CG-CD1 4.33Å; Y577-I581 WeakPolarHBondContact O-CB 3.48Å; Y577-I581 WeakPolarHBondContact O-CG1 3.28Å; Y577-I581 PolarHBondContact O-N 3.35Å; Y577-I581 VanDerWaalsContact O-N 3.07Å
578	S	65.9	Low	62.4	Low	45 Å²	45	114.2 Å²	114.2	32%	0.315	56%	0.556	S	S	.	*	H	α-helix	trans	-64.4	-39.1	172.3	60.5	0	0	0	0	112	S574 K575 I581 N582	S574-S578 PolarHBondContact O-N 3.08Å; S574-S578 PolarHBondContact O-OG 3.24Å; K575-S578 WeakPolarHBondContact CA-OG 3.41Å; K575-S578 PolarHBondContact O-N 2.89Å; K575-S578 PolarHBondContact O-OG 3.28Å; S578-I581 CarbonylContact O-C 3.45Å; S578-I581 PolarHBondContact O-N 3.41Å; S578-N582 WeakPolarHBondContact O-CB 3.45Å; S578-N582 PolarHBondContact O-N 3.11Å; S578-N582 PolarHBondContact O-ND2 3.49Å; S578-N582 VanDerWaalsContact O-ND2 3.1Å; S578-N582 PolarHBondContact O-OD1 3.34Å
579	D	63.5	Low	64.2	Low	66 Å²	66	111 Å²	111	35%	0.353	54%	0.539	S	S	.	.	H	α-helix	trans	-65.7	-44.9	179.8	-65.6	-18.1	0	0	0	110.5	K575 R576 Y577 I581 N582 L583	K575-D579 WeakPolarHBondContact CG-OD2 3.32Å; K575-D579 WeakPolarHBondContact O-CB 3.42Å; K575-D579 PolarHBondContact O-N 3.3Å; R576-D579 PolarHBondContact O-N 2.9Å; Y577-D579 VanDerWaalsContact C-N 3.35Å; D579-I581 PolarHBondContact O-N 3.19Å; D579-N582 CarbonylContact O-C 3.57Å; D579-N582 PolarHBondContact O-N 3.07Å; D579-N582 VanDerWaalsContact O-N 3.09Å; D579-L583 WeakPolarHBondContact O-CD1 3.32Å; D579-L583 PolarHBondContact O-N 2.9Å
580	A	60.7	Low	65.8	Low	56 Å²	56	110.4 Å²	110.4	46%	0.463	53%	0.533	S	S	.	.	H	α-helix	trans	-58.3	-46	173	0	0	0	0	0	112.5	R576 N582 L583 T584	R576-A580 WeakPolarHBondContact O-CB 3.31Å; R576-A580 PolarHBondContact O-N 3.24Å; A580-N582 VanDerWaalsContact C-N 3.25Å; A580-N582 PolarHBondContact O-N 3.05Å; A580-L583 PolarHBondContact O-N 3.32Å; A580-T584 PolarHBondContact O-N 2.99Å; A580-T584 VanDerWaalsContact O-N 3.17Å; A580-T584 PolarHBondContact O-OG1 2.8Å
581	I	63.3	Low	67.4	Low	55 Å²	55	114 Å²	114	28%	0.282	54%	0.542	S	S	.	.	H	α-helix	trans	-68.7	-22.8	176.3	-72.1	173.1	0	0	0	112.4	Y577 S578 D579 T584 R585	Y577-I581 HydrophobicContact CD1-CD1 3.74Å; Y577-I581 HydrophobicContact CE1-CD1 3.38Å; Y577-I581 HydrophobicContact CE2-CD1 4.29Å; Y577-I581 HydrophobicContact CG-CD1 4.33Å; Y577-I581 WeakPolarHBondContact O-CB 3.48Å; Y577-I581 WeakPolarHBondContact O-CG1 3.28Å; Y577-I581 PolarHBondContact O-N 3.35Å; Y577-I581 VanDerWaalsContact O-N 3.07Å; S578-I581 CarbonylContact O-C 3.45Å; S578-I581 PolarHBondContact O-N 3.41Å; D579-I581 PolarHBondContact O-N 3.19Å; I581-T584 PolarHBondContact O-OG1 3.15Å; I581-R585 WeakPolarHBondContact O-CB 3.38Å; I581-R585 VanDerWaalsContact O-CG 3.24Å; I581-R585 WeakPolarHBondContact O-CG 3.36Å; I581-R585 PolarHBondContact O-N 2.85Å; I581-R585 PolarHBondContact O-NE 2.84Å; I581-R585 VanDerWaalsContact O-NE 3.12Å
582	N	58.3	Low	69.1	Low	53 Å²	53	109.1 Å²	109.1	28%	0.283	53%	0.534	S	S	.	.	H	α-helix	trans	-84.5	-33.1	175.2	-69.9	-21.2	0	0	0	111.6	S578 D579 A580 R585 N586	S578-N582 WeakPolarHBondContact O-CB 3.45Å; S578-N582 PolarHBondContact O-N 3.11Å; S578-N582 PolarHBondContact O-ND2 3.49Å; S578-N582 VanDerWaalsContact O-ND2 3.1Å; S578-N582 PolarHBondContact O-OD1 3.34Å; D579-N582 CarbonylContact O-C 3.57Å; D579-N582 PolarHBondContact O-N 3.07Å; D579-N582 VanDerWaalsContact O-N 3.09Å; A580-N582 VanDerWaalsContact C-N 3.25Å; A580-N582 PolarHBondContact O-N 3.05Å; N582-R585 PolarHBondContact OD1-NH2 3.45Å; N582-N586 VanDerWaalsContact O-CB 3.28Å; N582-N586 WeakPolarHBondContact O-CB 3.02Å; N582-N586 PolarHBondContact O-N 3.03Å; N582-N586 PolarHBondContact O-ND2 3.31Å
583	L	55.7	Low	70.9	Confident	139 Å²	139	104.6 Å²	104.6	73%	0.728	51%	0.51	S	S	*	.	H	α-helix	trans	-65.5	-38.5	171.4	-92.2	79.8	0	0	0	111.7	D579 A580	D579-L583 WeakPolarHBondContact O-CD1 3.32Å; D579-L583 PolarHBondContact O-N 2.9Å; A580-L583 PolarHBondContact O-N 3.32Å
584	T	57.6	Low	72.6	Confident	100 Å²	100	97.2 Å²	97.2	61%	0.613	49%	0.486	S	S	*	.	H	α-helix	trans	-71.5	-40	176.4	56	0	0	0	0	112.7	A580 I581	A580-T584 PolarHBondContact O-N 2.99Å; A580-T584 VanDerWaalsContact O-N 3.17Å; A580-T584 PolarHBondContact O-OG1 2.8Å; I581-T584 PolarHBondContact O-OG1 3.15Å
585	R	60.5	Low	74	Confident	172 Å²	172	97 Å²	97	65%	0.649	48%	0.484	S	S	*	.	H	α-helix	trans	-78.1	-26.3	-178.6	-70.3	-175	-59.3	177.8	5.2	115.2	I581 N582	I581-R585 WeakPolarHBondContact O-CB 3.38Å; I581-R585 VanDerWaalsContact O-CG 3.24Å; I581-R585 WeakPolarHBondContact O-CG 3.36Å; I581-R585 PolarHBondContact O-N 2.85Å; I581-R585 PolarHBondContact O-NE 2.84Å; I581-R585 VanDerWaalsContact O-NE 3.12Å; N582-R585 PolarHBondContact OD1-NH2 3.45Å
586	N	64.8	Low	75.6	Confident	126 Å²	126	94.2 Å²	94.2	67%	0.674	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	9.5	-178.3	-63.8	-66.2	0	0	0	114	N582	N582-N586 VanDerWaalsContact O-CB 3.28Å; N582-N586 WeakPolarHBondContact O-CB 3.02Å; N582-N586 PolarHBondContact O-N 3.03Å; N582-N586 PolarHBondContact O-ND2 3.31Å
587	R	76.1	Confident	77.3	Confident	207 Å²	207	85 Å²	85	78%	0.781	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-64.6	130.1	174	-163.5	178.4	-167.8	-174.4	4.3	109.2
588	P	85.2	Confident	79	Confident	110 Å²	110	80.4 Å²	80.4	71%	0.714	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-59.6	147.6	173.2	25.5	-34.4	0	0	0	110.3
589	L	89.4	Confident	80.5	Confident	43 Å²	43	81.3 Å²	81.3	23%	0.225	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-61.4	150.9	172.6	-60.5	-176.9	0	0	0	110	L594 M597 I624 W632	L589-L594 HydrophobicContact CB-CD2 4.08Å; L589-L594 HydrophobicContact CB-CG 4.1Å; L589-L594 HydrophobicContact CD1-CD2 4.27Å; L589-M597 HydrophobicContact CD1-CE 3.65Å; L589-I624 HydrophobicContact CD1-CD1 4.49Å; L589-I624 HydrophobicContact CD2-CG2 4.5Å; L589-W632 HydrophobicContact CD1-CB 4.35Å; L589-W632 HydrophobicContact CD1-CG 4.24Å
590	N	90.8	Very high	82.1	Confident	66 Å²	66	79.6 Å²	79.6	35%	0.353	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-65.7	153.6	177.9	75.8	64.4	0	0	0	110.9	T592 A593 L594 G622	N590-T592 VanDerWaalsContact C-N 3.25Å; N590-T592 PolarHBondContact O-N 2.85Å; N590-T592 WeakPolarHBondContact OD1-CA 3.26Å; N590-T592 VanDerWaalsContact OD1-CB 3.3Å; N590-T592 WeakPolarHBondContact OD1-CB 3.19Å; N590-T592 PolarHBondContact OD1-N 2.85Å; N590-T592 VanDerWaalsContact OD1-N 3.08Å; N590-A593 PolarHBondContact O-N 3.47Å; N590-A593 PolarHBondContact OD1-N 3.11Å; N590-L594 PolarHBondContact O-N 3.03Å; N590-L594 VanDerWaalsContact O-N 3.11Å; N590-G622 PolarHBondContact ND2-O 2.91Å; N590-G622 PolarHBondContact OD1-O 3.35Å
591	Q	92.9	Very high	83.8	Confident	142 Å²	142	77.1 Å²	77.1	66%	0.664	40%	0.398	S	S	*	.	H	α-helix	trans	-64.2	-29.6	-173.5	-171.8	58	38.9	0	0	113	L594 S595	Q591-L594 PolarHBondContact O-N 2.98Å; Q591-S595 WeakPolarHBondContact O-CB 3.32Å; Q591-S595 PolarHBondContact O-N 2.78Å
592	T	94.8	Very high	85.3	Confident	86 Å²	86	78.1 Å²	78.1	53%	0.528	41%	0.407	S	S	.	.	H	α-helix	trans	-64.8	-50.4	176.1	-46.6	0	0	0	0	110.9	N590 L594 S595 V596	N590-T592 VanDerWaalsContact C-N 3.25Å; N590-T592 PolarHBondContact O-N 2.85Å; N590-T592 WeakPolarHBondContact OD1-CA 3.26Å; N590-T592 VanDerWaalsContact OD1-CB 3.3Å; N590-T592 WeakPolarHBondContact OD1-CB 3.19Å; N590-T592 PolarHBondContact OD1-N 2.85Å; N590-T592 VanDerWaalsContact OD1-N 3.08Å; T592-L594 VanDerWaalsContact C-N 3.31Å; T592-L594 PolarHBondContact O-N 3.05Å; T592-S595 PolarHBondContact O-N 3.49Å; T592-V596 HydrophobicContact CG2-CG2 4.43Å; T592-V596 WeakPolarHBondContact O-CB 3.42Å; T592-V596 VanDerWaalsContact O-CG2 3.31Å; T592-V596 WeakPolarHBondContact O-CG2 3.38Å; T592-V596 PolarHBondContact O-N 3.33Å
593	A	95.9	Very high	87.1	Confident	0 Å²	0	81.2 Å²	81.2	0%	0	42%	0.423	C	S	.	.	H	α-helix	trans	-59.3	-41	176	0	0	0	0	0	112.4	N590 M597 I624	N590-A593 PolarHBondContact O-N 3.47Å; N590-A593 PolarHBondContact OD1-N 3.11Å; A593-M597 HydrophobicContact CB-CE 4.39Å; A593-M597 WeakPolarHBondContact O-CB 3.41Å; A593-M597 WeakPolarHBondContact O-CE 3.2Å; A593-M597 WeakPolarHBondContact O-CG 3.3Å; A593-M597 PolarHBondContact O-N 3.08Å; A593-I624 HydrophobicContact CB-CD1 3.89Å; A593-I624 HydrophobicContact CB-CG1 4.1Å; A593-I624 HydrophobicContact CB-CG2 3.91Å
594	L	95.6	Very high	88.9	Confident	53 Å²	53	78 Å²	78	28%	0.277	40%	0.404	S	S	.	.	H	α-helix	trans	-63.1	-47.7	174.4	-68.8	175.8	0	0	0	111.3	L589 N590 Q591 T592 V596 E598	L589-L594 HydrophobicContact CB-CD2 4.08Å; L589-L594 HydrophobicContact CB-CG 4.1Å; L589-L594 HydrophobicContact CD1-CD2 4.27Å; N590-L594 PolarHBondContact O-N 3.03Å; N590-L594 VanDerWaalsContact O-N 3.11Å; Q591-L594 PolarHBondContact O-N 2.98Å; T592-L594 VanDerWaalsContact C-N 3.31Å; T592-L594 PolarHBondContact O-N 3.05Å; L594-V596 PolarHBondContact O-N 3.29Å; L594-E598 WeakPolarHBondContact O-CB 3.2Å; L594-E598 PolarHBondContact O-N 3.36Å
595	S	96.6	Very high	90.5	Very high	73 Å²	73	76 Å²	76	51%	0.51	39%	0.392	S	S	.	.	H	α-helix	trans	-61.9	-44	179.3	-166.2	0	0	0	0	112.6	Q591 T592 S599	Q591-S595 WeakPolarHBondContact O-CB 3.32Å; Q591-S595 PolarHBondContact O-N 2.78Å; T592-S595 PolarHBondContact O-N 3.49Å; S595-S599 WeakPolarHBondContact O-CB 3.33Å; S595-S599 PolarHBondContact O-N 3Å
596	V	97	Very high	91.6	Very high	35 Å²	35	75.4 Å²	75.4	21%	0.212	40%	0.402	C	S	.	.	H	α-helix	trans	-66.3	-48.8	-180	167.1	0	0	0	0	111.4	T592 L594 W600 L618 L621	T592-V596 HydrophobicContact CG2-CG2 4.43Å; T592-V596 WeakPolarHBondContact O-CB 3.42Å; T592-V596 VanDerWaalsContact O-CG2 3.31Å; T592-V596 WeakPolarHBondContact O-CG2 3.38Å; T592-V596 PolarHBondContact O-N 3.33Å; L594-V596 PolarHBondContact O-N 3.29Å; V596-W600 PolarHBondContact O-N 2.92Å; V596-L618 HydrophobicContact CG1-CD2 3.54Å; V596-L621 HydrophobicContact CG1-CB 3.91Å; V596-L621 HydrophobicContact CG1-CD1 4.24Å; V596-L621 HydrophobicContact CG2-CB 4.32Å
597	M	97.7	Very high	92.6	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-71.4	-34.3	179.3	-67.2	-171.6	-65.5	0	0	112.9	L589 A593 Y601 I624 V629 W632 F633	L589-M597 HydrophobicContact CD1-CE 3.65Å; A593-M597 HydrophobicContact CB-CE 4.39Å; A593-M597 WeakPolarHBondContact O-CB 3.41Å; A593-M597 WeakPolarHBondContact O-CE 3.2Å; A593-M597 WeakPolarHBondContact O-CG 3.3Å; A593-M597 PolarHBondContact O-N 3.08Å; M597-Y601 VanDerWaalsContact O-CB 3.22Å; M597-Y601 WeakPolarHBondContact O-CB 3.3Å; M597-Y601 PolarHBondContact O-N 3.23Å; M597-I624 HydrophobicContact CE-CD1 3.73Å; M597-I624 HydrophobicContact SD-CD1 3.93Å; M597-V629 HydrophobicContact SD-CB 4.17Å; M597-V629 HydrophobicContact SD-CG1 4.01Å; M597-V629 HydrophobicContact SD-CG2 4.02Å; M597-W632 HydrophobicContact CB-CD2 4.11Å; M597-W632 HydrophobicContact CB-CE3 3.76Å; M597-W632 HydrophobicContact CB-CH2 3.97Å; M597-W632 HydrophobicContact CB-CZ2 4.27Å; M597-W632 HydrophobicContact CB-CZ3 3.7Å; M597-W632 HydrophobicContact CE-CB 3.79Å; M597-W632 HydrophobicContact CE-CD2 3.69Å; M597-W632 HydrophobicContact CE-CE3 4.29Å; M597-W632 HydrophobicContact CE-CG 3.43Å; M597-W632 VanDerWaalsContact CE-CG 3.43Å; M597-W632 HydrophobicContact CG-CE3 4.45Å; M597-W632 HydrophobicContact SD-CB 3.94Å; M597-W632 HydrophobicContact SD-CD2 3.97Å; M597-W632 HydrophobicContact SD-CE3 3.99Å; M597-W632 HydrophobicContact SD-CG 3.96Å; M597-F633 HydrophobicContact CB-CE2 4.05Å; M597-F633 HydrophobicContact CB-CZ 4.29Å; M597-F633 HydrophobicContact CG-CE2 3.96Å; M597-F633 HydrophobicContact SD-CD2 4.38Å; M597-F633 HydrophobicContact SD-CE2 4.06Å
598	E	96.7	Very high	93.4	Very high	61 Å²	61	62.4 Å²	62.4	29%	0.285	35%	0.348	S	S	.	.	H	α-helix	trans	-66.1	-44.8	174.7	-169.5	74.1	-177.2	0	0	110.8	L594 Y601 T602 W632 R636	L594-E598 WeakPolarHBondContact O-CB 3.2Å; L594-E598 PolarHBondContact O-N 3.36Å; E598-Y601 CarbonylContact O-C 3.6Å; E598-Y601 WeakPolarHBondContact O-CB 3.21Å; E598-Y601 PolarHBondContact O-N 2.94Å; E598-Y601 VanDerWaalsContact O-N 3.14Å; E598-T602 PolarHBondContact O-N 2.89Å; E598-T602 PolarHBondContact O-OG1 3.49Å; E598-T602 VanDerWaalsContact O-OG1 3.07Å; E598-W632 WeakPolarHBondContact OE2-CH2 3.43Å; E598-W632 WeakPolarHBondContact OE2-CZ2 3.37Å; E598-R636 IonicContact OE1-CZ 3.02Å; E598-R636 IonicContact OE1-NH1 2.72Å; E598-R636 PolarHBondContact OE1-NH1 2.88Å; E598-R636 IonicContact OE1-NH2 2.71Å; E598-R636 PolarHBondContact OE1-NH2 3.31Å; E598-R636 IonicContact OE2-CZ 3.19Å; E598-R636 IonicContact OE2-NE 3.89Å; E598-R636 IonicContact OE2-NH1 2.66Å; E598-R636 PolarHBondContact OE2-NH1 3.11Å; E598-R636 IonicContact OE2-NH2 3.66Å
599	S	97.1	Very high	93.9	Very high	64 Å²	64	61 Å²	61	45%	0.448	33%	0.329	S	S	.	.	H	α-helix	trans	-59.6	-48.2	175.9	-178.8	0	0	0	0	112.1	S595 Y601 T602 N603	S595-S599 WeakPolarHBondContact O-CB 3.33Å; S595-S599 PolarHBondContact O-N 3Å; S599-Y601 VanDerWaalsContact C-N 3.32Å; S599-Y601 PolarHBondContact O-N 3.31Å; S599-T602 WeakPolarHBondContact CA-OG1 3.46Å; S599-T602 PolarHBondContact O-N 3.45Å; S599-T602 PolarHBondContact O-OG1 2.8Å; S599-N603 VanDerWaalsContact O-CG 3.23Å; S599-N603 PolarHBondContact O-N 2.91Å; S599-N603 VanDerWaalsContact O-N 3.15Å; S599-N603 PolarHBondContact O-ND2 3.44Å
600	W	97.7	Very high	94.1	Very high	31 Å²	31	59.2 Å²	59.2	12%	0.117	32%	0.32	C	S	.	.	H	α-helix	trans	-60.5	-42.8	173.3	-172.8	103.8	0	0	0	110.7	V596 T602 N603 H604 P610 E614 L618 F633	V596-W600 PolarHBondContact O-N 2.92Å; W600-T602 PolarHBondContact O-N 2.94Å; W600-N603 PolarHBondContact O-N 2.99Å; W600-H604 AromaticContact CD1-CE1 3.76Å; W600-H604 AromaticContact CD1-ND1 3.92Å; W600-H604 AromaticContact CD2-CE1 3.94Å; W600-H604 AromaticContact CD2-ND1 3.39Å; W600-H604 AromaticContact CE2-CE1 3.5Å; W600-H604 AromaticContact CE2-CG 3.86Å; W600-H604 AromaticContact CE2-ND1 3.31Å; W600-H604 VanDerWaalsContact CE2-ND1 3.31Å; W600-H604 HydrophobicContact CE3-CB 4.09Å; W600-H604 AromaticContact CE3-ND1 3.8Å; W600-H604 AromaticContact CG-ND1 3.77Å; W600-H604 HydrophobicContact CH2-CB 3.64Å; W600-H604 AromaticContact CH2-CG 3.73Å; W600-H604 AromaticContact CH2-ND1 4Å; W600-H604 HydrophobicContact CZ2-CB 4.13Å; W600-H604 AromaticContact CZ2-CD2 3.97Å; W600-H604 AromaticContact CZ2-CE1 3.9Å; W600-H604 AromaticContact CZ2-CG 3.67Å; W600-H604 AromaticContact CZ2-ND1 3.64Å; W600-H604 HydrophobicContact CZ3-CB 3.64Å; W600-H604 AromaticContact NE1-CE1 3.41Å; W600-H604 PolarHBondContact NE1-CE1 2.97Å; W600-H604 AromaticContact NE1-ND1 3.67Å; W600-H604 PolarHBondContact O-N 2.66Å; W600-H604 PolarHBondContact O-ND1 2.99Å; W600-P610 HydrophobicContact CH2-CB 3.73Å; W600-P610 HydrophobicContact CH2-CG 4.14Å; W600-P610 HydrophobicContact CZ2-CB 3.65Å; W600-P610 HydrophobicContact CZ3-CB 4.22Å; W600-P610 HydrophobicContact CZ3-CG 4.22Å; W600-E614 WeakPolarHBondContact CZ2-OE1 3.38Å; W600-E614 PolarHBondContact NE1-OE1 3.22Å; W600-L618 HydrophobicContact CB-CD1 4.34Å; W600-L618 HydrophobicContact CB-CD2 3.8Å; W600-L618 HydrophobicContact CD2-CD1 4.2Å; W600-L618 HydrophobicContact CG-CD1 3.96Å; W600-L618 HydrophobicContact CG-CD2 4.07Å; W600-F633 HydrophobicContact CD2-CE1 4.42Å; W600-F633 HydrophobicContact CD2-CZ 4.16Å; W600-F633 HydrophobicContact CE3-CD1 4.49Å; W600-F633 AromaticContact CE3-CE1 3.32Å; W600-F633 HydrophobicContact CE3-CE1 3.32Å; W600-F633 AromaticContact CE3-CZ 3.44Å; W600-F633 HydrophobicContact CE3-CZ 3.44Å; W600-F633 VanDerWaalsContact CE3-CZ 3.44Å; W600-F633 HydrophobicContact CZ3-CD1 4.29Å; W600-F633 AromaticContact CZ3-CE1 3.47Å; W600-F633 HydrophobicContact CZ3-CE1 3.47Å; W600-F633 VanDerWaalsContact CZ3-CE1 3.47Å; W600-F633 HydrophobicContact CZ3-CZ 4.01Å
601	Y	96.7	Very high	94.4	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.016	33%	0.326	C	S	.	.	H	α-helix	trans	-62.3	-43.2	179.3	-170	-78.3	0	0	0	112.4	M597 E598 S599 N603 H604 V605 P608 W632 F633 R636 R637 T640 N642	M597-Y601 VanDerWaalsContact O-CB 3.22Å; M597-Y601 WeakPolarHBondContact O-CB 3.3Å; M597-Y601 PolarHBondContact O-N 3.23Å; E598-Y601 CarbonylContact O-C 3.6Å; E598-Y601 WeakPolarHBondContact O-CB 3.21Å; E598-Y601 PolarHBondContact O-N 2.94Å; E598-Y601 VanDerWaalsContact O-N 3.14Å; S599-Y601 VanDerWaalsContact C-N 3.32Å; S599-Y601 PolarHBondContact O-N 3.31Å; Y601-N603 VanDerWaalsContact C-N 3.26Å; Y601-N603 PolarHBondContact O-N 3.46Å; Y601-H604 CarbonylContact O-C 3.55Å; Y601-H604 PolarHBondContact O-N 3.17Å; Y601-H604 VanDerWaalsContact O-N 3.16Å; Y601-V605 HydrophobicContact CD1-CG2 4.49Å; Y601-V605 HydrophobicContact CE1-CG2 4.44Å; Y601-V605 WeakPolarHBondContact O-CG2 3.45Å; Y601-V605 PolarHBondContact O-N 3.35Å; Y601-P608 HydrophobicContact CD2-CB 3.9Å; Y601-P608 HydrophobicContact CE2-CB 3.39Å; Y601-P608 HydrophobicContact CE2-CG 4.13Å; Y601-W632 HydrophobicContact CD2-CZ3 4.13Å; Y601-W632 HydrophobicContact CG-CH2 4.48Å; Y601-W632 HydrophobicContact CG-CZ3 4.45Å; Y601-F633 AromaticContact CD2-CD1 3.96Å; Y601-F633 HydrophobicContact CD2-CD1 3.96Å; Y601-F633 AromaticContact CD2-CE1 3.76Å; Y601-F633 HydrophobicContact CD2-CE1 3.76Å; Y601-F633 HydrophobicContact CG-CE1 4.49Å; Y601-R636 HydrophobicContact CD1-CG 4.29Å; Y601-R636 HydrophobicContact CD2-CB 4.32Å; Y601-R636 HydrophobicContact CD2-CG 3.46Å; Y601-R636 VanDerWaalsContact CD2-CG 3.46Å; Y601-R636 HydrophobicContact CE1-CG 4.22Å; Y601-R636 HydrophobicContact CE2-CB 4.13Å; Y601-R636 HydrophobicContact CE2-CG 3.34Å; Y601-R636 HydrophobicContact CG-CG 3.97Å; Y601-R637 HydrophobicContact CE2-CG 3.98Å; Y601-T640 PolarHBondContact OH-OG1 3.31Å; Y601-N642 WeakPolarHBondContact OH-CB 3.47Å; Y601-N642 PolarHBondContact OH-OD1 3.43Å
602	T	94.5	Very high	94.5	Very high	75 Å²	75	57.6 Å²	57.6	46%	0.46	32%	0.322	S	S	.	.	H	α-helix	trans	-68.7	-25.1	179	47.4	0	0	0	0	113.2	E598 S599 W600 H604 V605	E598-T602 PolarHBondContact O-N 2.89Å; E598-T602 PolarHBondContact O-OG1 3.49Å; E598-T602 VanDerWaalsContact O-OG1 3.07Å; S599-T602 WeakPolarHBondContact CA-OG1 3.46Å; S599-T602 PolarHBondContact O-N 3.45Å; S599-T602 PolarHBondContact O-OG1 2.8Å; W600-T602 PolarHBondContact O-N 2.94Å; T602-H604 VanDerWaalsContact C-N 3.35Å; T602-V605 WeakPolarHBondContact O-CG2 3.4Å
603	N	95.1	Very high	94.6	Very high	119 Å²	119	56.7 Å²	56.7	64%	0.636	32%	0.323	S	S	*	.	H	α-helix	trans	-83.2	-12.2	174.2	-63.2	-13.3	0	0	0	113	S599 W600 Y601	S599-N603 VanDerWaalsContact O-CG 3.23Å; S599-N603 PolarHBondContact O-N 2.91Å; S599-N603 VanDerWaalsContact O-N 3.15Å; S599-N603 PolarHBondContact O-ND2 3.44Å; W600-N603 PolarHBondContact O-N 2.99Å; Y601-N603 VanDerWaalsContact C-N 3.26Å; Y601-N603 PolarHBondContact O-N 3.46Å
604	H	93.4	Very high	94.7	Very high	71 Å²	71	59 Å²	59	33%	0.329	33%	0.334	S	S	.	.			trans	-131.8	38.3	-176.1	-57.7	92.6	0	0	0	112	W600 Y601 T602 D606 N607 P608	W600-H604 AromaticContact CD1-CE1 3.76Å; W600-H604 AromaticContact CD1-ND1 3.92Å; W600-H604 AromaticContact CD2-CE1 3.94Å; W600-H604 AromaticContact CD2-ND1 3.39Å; W600-H604 AromaticContact CE2-CE1 3.5Å; W600-H604 AromaticContact CE2-CG 3.86Å; W600-H604 AromaticContact CE2-ND1 3.31Å; W600-H604 VanDerWaalsContact CE2-ND1 3.31Å; W600-H604 HydrophobicContact CE3-CB 4.09Å; W600-H604 AromaticContact CE3-ND1 3.8Å; W600-H604 AromaticContact CG-ND1 3.77Å; W600-H604 HydrophobicContact CH2-CB 3.64Å; W600-H604 AromaticContact CH2-CG 3.73Å; W600-H604 AromaticContact CH2-ND1 4Å; W600-H604 HydrophobicContact CZ2-CB 4.13Å; W600-H604 AromaticContact CZ2-CD2 3.97Å; W600-H604 AromaticContact CZ2-CE1 3.9Å; W600-H604 AromaticContact CZ2-CG 3.67Å; W600-H604 AromaticContact CZ2-ND1 3.64Å; W600-H604 HydrophobicContact CZ3-CB 3.64Å; W600-H604 AromaticContact NE1-CE1 3.41Å; W600-H604 PolarHBondContact NE1-CE1 2.97Å; W600-H604 AromaticContact NE1-ND1 3.67Å; W600-H604 PolarHBondContact O-N 2.66Å; W600-H604 PolarHBondContact O-ND1 2.99Å; Y601-H604 CarbonylContact O-C 3.55Å; Y601-H604 PolarHBondContact O-N 3.17Å; Y601-H604 VanDerWaalsContact O-N 3.16Å; T602-H604 VanDerWaalsContact C-N 3.35Å; H604-D606 VanDerWaalsContact C-N 3.25Å; H604-D606 PolarHBondContact O-N 3.2Å; H604-N607 CarbonylContact O-C 3.1Å; H604-N607 PolarHBondContact O-N 3.4Å; H604-P608 WeakPolarHBondContact O-CA 3.43Å; H604-P608 WeakPolarHBondContact O-CB 3.3Å; H604-P608 WeakPolarHBondContact O-CD 3.48Å
605	V	90.9	Very high	94.8	Very high	58 Å²	58	58.3 Å²	58.3	35%	0.352	33%	0.329	S	S	.	.	S	Bend	trans	-62.2	-32.8	-176.1	176.3	0	0	0	0	112.6	Y601 T602 P608 N642	Y601-V605 HydrophobicContact CD1-CG2 4.49Å; Y601-V605 HydrophobicContact CE1-CG2 4.44Å; Y601-V605 WeakPolarHBondContact O-CG2 3.45Å; Y601-V605 PolarHBondContact O-N 3.35Å; T602-V605 WeakPolarHBondContact O-CG2 3.4Å; V605-P608 WeakPolarHBondContact O-CD 3.05Å; V605-N642 PolarHBondContact O-ND2 3.34Å
606	D	83.9	Confident	94.8	Very high	160 Å²	160	60 Å²	60	86%	0.856	33%	0.329	S	S	*	.	S	Bend	trans	-72.8	-39.9	179.3	-51	-60.3	0	0	0	111.6	H604	H604-D606 VanDerWaalsContact C-N 3.25Å; H604-D606 PolarHBondContact O-N 3.2Å
607	N	86.9	Confident	94.9	Very high	58 Å²	58	64 Å²	64	31%	0.31	35%	0.345	S	S	.	.	S	Bend	trans	-129.1	73.5	174.8	-163.9	5.3	0	0	0	113.4	H604 Y609 K644 T689	H604-N607 CarbonylContact O-C 3.1Å; H604-N607 PolarHBondContact O-N 3.4Å; N607-Y609 PolarHBondContact O-N 3.39Å; N607-Y609 WeakPolarHBondContact OD1-CD2 3.41Å; N607-K644 PolarHBondContact OD1-NZ 2.84Å; N607-T689 PolarHBondContact ND2-O 3.44Å; N607-T689 PolarHBondContact ND2-OXT 3.13Å; N607-T689 PolarHBondContact OD1-O 2.89Å
608	P	93.2	Very high	94.9	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.013	35%	0.347	C	S	.	.			trans	-81.3	46.5	-171.9	29	-32.4	0	0	0	112.6	Y601 H604 V605 P610 R637 N642	Y601-P608 HydrophobicContact CD2-CB 3.9Å; Y601-P608 HydrophobicContact CE2-CB 3.39Å; Y601-P608 HydrophobicContact CE2-CG 4.13Å; H604-P608 WeakPolarHBondContact O-CA 3.43Å; H604-P608 WeakPolarHBondContact O-CB 3.3Å; H604-P608 WeakPolarHBondContact O-CD 3.48Å; V605-P608 WeakPolarHBondContact O-CD 3.05Å; P608-P610 WeakPolarHBondContact O-CD 3.37Å; P608-R637 HydrophobicContact CB-CG 4.1Å; P608-R637 HydrophobicContact CG-CG 3.79Å; P608-R637 WeakPolarHBondContact O-CD 3.5Å; P608-R637 PolarHBondContact O-NH1 3.27Å; P608-N642 HydrophobicContact CG-CB 3.74Å
609	Y	94.2	Very high	94.9	Very high	79 Å²	79	61.9 Å²	61.9	31%	0.31	34%	0.337	S	S	.	.			trans	-122.2	74.5	-172.4	-75	-98.7	0	0	0	110.6	N607 R637 K644	N607-Y609 PolarHBondContact O-N 3.39Å; N607-Y609 WeakPolarHBondContact OD1-CD2 3.41Å; Y609-R637 VanDerWaalsContact CE2-CD 3.46Å; Y609-K644 HydrophobicContact CD2-CD 4.16Å; Y609-K644 HydrophobicContact CE1-CD 4.33Å; Y609-K644 HydrophobicContact CE2-CD 3.64Å; Y609-K644 VanDerWaalsContact CE2-CE 3.47Å; Y609-K644 HydrophobicContact CE2-CG 3.82Å; Y609-K644 PolarHBondContact OH-N 3.09Å
610	P	95.4	Very high	94.9	Very high	7 Å²	7	62.7 Å²	62.7	5%	0.045	35%	0.347	C	S	.	.			trans	-58	143.7	-176.8	22.6	-32.4	0	0	0	111.2	W600 P608 E614 K615 L618 F633	W600-P610 HydrophobicContact CH2-CB 3.73Å; W600-P610 HydrophobicContact CH2-CG 4.14Å; W600-P610 HydrophobicContact CZ2-CB 3.65Å; W600-P610 HydrophobicContact CZ3-CB 4.22Å; W600-P610 HydrophobicContact CZ3-CG 4.22Å; P608-P610 WeakPolarHBondContact O-CD 3.37Å; P610-E614 HydrophobicContact CB-CB 3.91Å; P610-K615 HydrophobicContact CB-CG 4.28Å; P610-K615 HydrophobicContact CG-CG 4.13Å; P610-K615 WeakPolarHBondContact O-CE 3.23Å; P610-K615 PolarHBondContact O-NZ 3.13Å; P610-L618 HydrophobicContact CB-CD1 4.43Å; P610-F633 HydrophobicContact CG-CD1 4Å; P610-F633 HydrophobicContact CG-CD2 3.99Å; P610-F633 HydrophobicContact CG-CE1 4.14Å; P610-F633 HydrophobicContact CG-CE2 4.13Å; P610-F633 HydrophobicContact CG-CG 3.94Å; P610-F633 HydrophobicContact CG-CZ 4.2Å
611	T	95.7	Very high	94.8	Very high	79 Å²	79	65.9 Å²	65.9	49%	0.485	37%	0.367	S	S	.	.			trans	-65.4	-178	174.5	61.4	0	0	0	0	111.8	E614 K615	T611-E614 VanDerWaalsContact CB-OE2 3.27Å; T611-E614 WeakPolarHBondContact CB-OE2 3.38Å; T611-E614 VanDerWaalsContact CG2-OE2 3.27Å; T611-E614 WeakPolarHBondContact CG2-OE2 3.43Å; T611-E614 PolarHBondContact N-OE2 2.73Å; T611-E614 WeakPolarHBondContact OG1-CG 3.28Å; T611-E614 PolarHBondContact OG1-N 2.75Å; T611-E614 PolarHBondContact OG1-OE2 3.04Å; T611-K615 WeakPolarHBondContact O-CG 3.3Å; T611-K615 PolarHBondContact O-N 3.04Å; T611-K615 PolarHBondContact O-NZ 3.38Å
612	T	96.2	Very high	94.8	Very high	95 Å²	95	65.9 Å²	65.9	58%	0.583	37%	0.367	S	S	*	.	H	α-helix	trans	-67.6	-46.7	174.9	-52.9	0	0	0	0	111.1	E614 K615 E616	T612-E614 PolarHBondContact O-N 2.71Å; T612-K615 PolarHBondContact O-N 2.76Å; T612-K615 VanDerWaalsContact O-N 3.16Å; T612-E616 PolarHBondContact O-N 2.86Å; T612-E616 VanDerWaalsContact O-N 3.12Å
613	A	96.8	Very high	94.8	Very high	66 Å²	66	65.3 Å²	65.3	55%	0.545	38%	0.377	S	S	.	.	H	α-helix	trans	-60.5	-44.9	179.4	0	0	0	0	0	112.4	K615 E616 E617	A613-K615 VanDerWaalsContact C-N 3.32Å; A613-K615 PolarHBondContact O-N 2.69Å; A613-E616 WeakPolarHBondContact O-CB 3.26Å; A613-E616 PolarHBondContact O-N 3.11Å; A613-E617 PolarHBondContact O-N 3.23Å
614	E	97.3	Very high	94.8	Very high	48 Å²	48	60.8 Å²	60.8	22%	0.224	35%	0.352	C	S	.	.	H	α-helix	trans	-64.7	-34.5	176.7	-67.9	166.6	107.5	0	0	112.3	W600 P610 T611 T612 E616 E617 L618	W600-E614 WeakPolarHBondContact CZ2-OE1 3.38Å; W600-E614 PolarHBondContact NE1-OE1 3.22Å; P610-E614 HydrophobicContact CB-CB 3.91Å; T611-E614 VanDerWaalsContact CB-OE2 3.27Å; T611-E614 WeakPolarHBondContact CB-OE2 3.38Å; T611-E614 VanDerWaalsContact CG2-OE2 3.27Å; T611-E614 WeakPolarHBondContact CG2-OE2 3.43Å; T611-E614 PolarHBondContact N-OE2 2.73Å; T611-E614 WeakPolarHBondContact OG1-CG 3.28Å; T611-E614 PolarHBondContact OG1-N 2.75Å; T611-E614 PolarHBondContact OG1-OE2 3.04Å; T612-E614 PolarHBondContact O-N 2.71Å; E614-E616 VanDerWaalsContact C-N 3.27Å; E614-E616 PolarHBondContact O-N 3.01Å; E614-E617 PolarHBondContact O-N 3.31Å; E614-L618 VanDerWaalsContact O-CB 3.28Å; E614-L618 WeakPolarHBondContact O-CB 3.33Å; E614-L618 WeakPolarHBondContact O-CD1 3.27Å; E614-L618 WeakPolarHBondContact O-CG 3.22Å; E614-L618 PolarHBondContact O-N 3.06Å
615	K	97.6	Very high	94.9	Very high	39 Å²	39	60.8 Å²	60.8	17%	0.17	36%	0.357	C	S	.	.	H	α-helix	trans	-66	-32	173.3	-71.9	-177.7	-151.7	71.7	0	112.3	P610 T611 T612 A613 A619 V626 V629	P610-K615 HydrophobicContact CB-CG 4.28Å; P610-K615 HydrophobicContact CG-CG 4.13Å; P610-K615 WeakPolarHBondContact O-CE 3.23Å; P610-K615 PolarHBondContact O-NZ 3.13Å; T611-K615 WeakPolarHBondContact O-CG 3.3Å; T611-K615 PolarHBondContact O-N 3.04Å; T611-K615 PolarHBondContact O-NZ 3.38Å; T612-K615 PolarHBondContact O-N 2.76Å; T612-K615 VanDerWaalsContact O-N 3.16Å; A613-K615 VanDerWaalsContact C-N 3.32Å; A613-K615 PolarHBondContact O-N 2.69Å; K615-A619 WeakPolarHBondContact O-CB 3.26Å; K615-A619 PolarHBondContact O-N 3.25Å; K615-V626 HydrophobicContact CB-CG1 4.07Å; K615-V626 HydrophobicContact CD-CG1 4.41Å; K615-V629 HydrophobicContact CB-CG1 4.21Å; K615-V629 HydrophobicContact CG-CG1 4.02Å
616	E	97.6	Very high	95.2	Very high	110 Å²	110	60.8 Å²	60.8	51%	0.514	36%	0.357	S	S	.	.	H	α-helix	trans	-73.3	-40.9	176.4	-71.5	166.3	-173.2	0	0	111.1	T612 A613 E614 A619 A620 V626	T612-E616 PolarHBondContact O-N 2.86Å; T612-E616 VanDerWaalsContact O-N 3.12Å; A613-E616 WeakPolarHBondContact O-CB 3.26Å; A613-E616 PolarHBondContact O-N 3.11Å; E614-E616 VanDerWaalsContact C-N 3.27Å; E614-E616 PolarHBondContact O-N 3.01Å; E616-A619 WeakPolarHBondContact O-CB 3.38Å; E616-A619 PolarHBondContact O-N 3.02Å; E616-A620 WeakPolarHBondContact O-CB 3.47Å; E616-A620 PolarHBondContact O-N 3.1Å; E616-V626 HydrophobicContact CG-CG2 3.86Å
617	E	97.7	Very high	95.8	Very high	118 Å²	118	59.3 Å²	59.3	55%	0.551	35%	0.348	S	S	*	.	H	α-helix	trans	-62.7	-51.2	172.3	-175.6	-179.7	-177	0	0	111.9	A613 E614 A619 A620 L621	A613-E617 PolarHBondContact O-N 3.23Å; E614-E617 PolarHBondContact O-N 3.31Å; E617-A619 PolarHBondContact O-N 2.95Å; E617-A620 PolarHBondContact O-N 3.32Å; E617-A620 VanDerWaalsContact O-N 3.14Å; E617-L621 HydrophobicContact CG-CD1 3.84Å; E617-L621 HydrophobicContact CG-CG 4.3Å; E617-L621 WeakPolarHBondContact O-CB 3.28Å; E617-L621 WeakPolarHBondContact O-CG 3.47Å; E617-L621 PolarHBondContact O-N 2.87Å
618	L	97.9	Very high	96.2	Very high	7 Å²	7	60.4 Å²	60.4	4%	0.037	35%	0.351	C	S	.	.	H	α-helix	trans	-63	-31.4	177.9	-65.2	167.7	0	0	0	112.1	V596 W600 P610 E614 G622 V629 F633	V596-L618 HydrophobicContact CG1-CD2 3.54Å; W600-L618 HydrophobicContact CB-CD1 4.34Å; W600-L618 HydrophobicContact CB-CD2 3.8Å; W600-L618 HydrophobicContact CD2-CD1 4.2Å; W600-L618 HydrophobicContact CG-CD1 3.96Å; W600-L618 HydrophobicContact CG-CD2 4.07Å; P610-L618 HydrophobicContact CB-CD1 4.43Å; E614-L618 VanDerWaalsContact O-CB 3.28Å; E614-L618 WeakPolarHBondContact O-CB 3.33Å; E614-L618 WeakPolarHBondContact O-CD1 3.27Å; E614-L618 WeakPolarHBondContact O-CG 3.22Å; E614-L618 PolarHBondContact O-N 3.06Å; L618-G622 PolarHBondContact O-N 3.36Å; L618-V629 HydrophobicContact CB-CG1 4.17Å; L618-V629 HydrophobicContact CB-CG2 4.43Å; L618-V629 HydrophobicContact CD1-CG1 4.44Å; L618-F633 HydrophobicContact CD1-CE2 3.83Å; L618-F633 HydrophobicContact CD1-CZ 4.02Å
619	A	97.3	Very high	96.4	Very high	9 Å²	9	60.3 Å²	60.3	7%	0.074	35%	0.351	C	S	.	.	H	α-helix	trans	-66.9	-47.6	172	0	0	0	0	0	111.8	K615 E616 E617 G623 I624 V626 V629	K615-A619 WeakPolarHBondContact O-CB 3.26Å; K615-A619 PolarHBondContact O-N 3.25Å; E616-A619 WeakPolarHBondContact O-CB 3.38Å; E616-A619 PolarHBondContact O-N 3.02Å; E617-A619 PolarHBondContact O-N 2.95Å; A619-G623 PolarHBondContact O-N 3.11Å; A619-I624 CarbonylContact C-O 3.48Å; A619-I624 WeakPolarHBondContact CA-O 3.49Å; A619-I624 WeakPolarHBondContact CB-O 3.32Å; A619-I624 PolarHBondContact O-N 3.15Å; A619-I624 VanDerWaalsContact O-O 3.11Å; A619-V626 HydrophobicContact CB-CG2 3.82Å; A619-V629 HydrophobicContact CB-CG2 3.97Å
620	A	96.8	Very high	96.5	Very high	81 Å²	81	59.1 Å²	59.1	67%	0.669	35%	0.354	S	S	*	.	H	α-helix	trans	-64	-50.3	178.2	0	0	0	0	0	112.2	E616 E617 G622 G623	E616-A620 WeakPolarHBondContact O-CB 3.47Å; E616-A620 PolarHBondContact O-N 3.1Å; E617-A620 PolarHBondContact O-N 3.32Å; E617-A620 VanDerWaalsContact O-N 3.14Å; A620-G622 VanDerWaalsContact C-N 3.32Å; A620-G622 PolarHBondContact O-N 3.2Å; A620-G623 PolarHBondContact O-N 3.42Å
621	L	96.4	Very high	96.6	Very high	99 Å²	99	61.6 Å²	61.6	52%	0.518	37%	0.371	S	S	.	.	H	α-helix	trans	-63.7	-35.5	178.1	-68.8	176.1	0	0	0	112.7	V596 E617	V596-L621 HydrophobicContact CG1-CB 3.91Å; V596-L621 HydrophobicContact CG1-CD1 4.24Å; V596-L621 HydrophobicContact CG2-CB 4.32Å; E617-L621 HydrophobicContact CG-CD1 3.84Å; E617-L621 HydrophobicContact CG-CG 4.3Å; E617-L621 WeakPolarHBondContact O-CB 3.28Å; E617-L621 WeakPolarHBondContact O-CG 3.47Å; E617-L621 PolarHBondContact O-N 2.87Å
622	G	95.2	Very high	96.6	Very high	3 Å²	3	59.4 Å²	59.4	3%	0.031	35%	0.354	C	S	.	.	H	α-helix	trans	-82.2	-15.1	177.4	0	0	0	0	0	114.9	N590 L618 A620 I624	N590-G622 PolarHBondContact ND2-O 2.91Å; N590-G622 PolarHBondContact OD1-O 3.35Å; L618-G622 PolarHBondContact O-N 3.36Å; A620-G622 VanDerWaalsContact C-N 3.32Å; A620-G622 PolarHBondContact O-N 3.2Å; G622-I624 VanDerWaalsContact C-N 3.31Å
623	G	95.3	Very high	96.7	Very high	64 Å²	64	55 Å²	55	66%	0.66	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	39.2	-169.9	0	0	0	0	0	112.9	A619 A620	A619-G623 PolarHBondContact O-N 3.11Å; A620-G623 PolarHBondContact O-N 3.42Å
624	I	95.6	Very high	96.5	Very high	23 Å²	23	53.7 Å²	53.7	12%	0.118	32%	0.316	C	S	.	.	S	Bend	trans	-133.4	167.1	-179.4	57.9	162.4	0	0	0	111	L589 A593 M597 A619 G622 Q628 V629	L589-I624 HydrophobicContact CD1-CD1 4.49Å; L589-I624 HydrophobicContact CD2-CG2 4.5Å; A593-I624 HydrophobicContact CB-CD1 3.89Å; A593-I624 HydrophobicContact CB-CG1 4.1Å; A593-I624 HydrophobicContact CB-CG2 3.91Å; M597-I624 HydrophobicContact CE-CD1 3.73Å; M597-I624 HydrophobicContact SD-CD1 3.93Å; A619-I624 CarbonylContact C-O 3.48Å; A619-I624 WeakPolarHBondContact CA-O 3.49Å; A619-I624 WeakPolarHBondContact CB-O 3.32Å; A619-I624 PolarHBondContact O-N 3.15Å; A619-I624 VanDerWaalsContact O-O 3.11Å; G622-I624 VanDerWaalsContact C-N 3.31Å; I624-Q628 HydrophobicContact CB-CB 4.39Å; I624-Q628 HydrophobicContact CD1-CB 4.21Å; I624-V629 HydrophobicContact CD1-CG2 3.61Å; I624-V629 HydrophobicContact CG1-CG2 3.95Å
625	T	95.7	Very high	96.4	Very high	71 Å²	71	55.9 Å²	55.9	44%	0.436	33%	0.329	S	S	.	.			trans	-77.9	150.8	179	62.8	0	0	0	0	112.7	I627 Q628 V629	T625-I627 PolarHBondContact O-N 3.42Å; T625-I627 VanDerWaalsContact O-N 3.13Å; T625-Q628 WeakPolarHBondContact O-CA 3.2Å; T625-Q628 WeakPolarHBondContact O-CB 3.36Å; T625-Q628 PolarHBondContact O-N 3.03Å; T625-Q628 WeakPolarHBondContact OG1-CG 3.34Å; T625-Q628 PolarHBondContact OG1-N 3.5Å; T625-Q628 VanDerWaalsContact OG1-N 3.17Å; T625-Q628 PolarHBondContact OG1-OE1 3.47Å; T625-V629 PolarHBondContact O-N 3.39Å
626	V	97	Very high	96.3	Very high	58 Å²	58	57.2 Å²	57.2	35%	0.352	33%	0.333	S	S	.	.	H	α-helix	trans	-52.9	-32	170.2	172.3	0	0	0	0	112.1	K615 E616 A619 V629 S630	K615-V626 HydrophobicContact CB-CG1 4.07Å; K615-V626 HydrophobicContact CD-CG1 4.41Å; E616-V626 HydrophobicContact CG-CG2 3.86Å; A619-V626 HydrophobicContact CB-CG2 3.82Å; V626-V629 PolarHBondContact O-N 2.88Å; V626-S630 WeakPolarHBondContact O-CB 3.5Å; V626-S630 PolarHBondContact O-N 3.5Å
627	I	96	Very high	96.2	Very high	129 Å²	129	53.5 Å²	53.5	66%	0.662	31%	0.314	S	S	*	.	H	α-helix	trans	-66.2	-46.9	174.8	-58.2	176.9	0	0	0	110.5	T625 V629 S630 S631	T625-I627 PolarHBondContact O-N 3.42Å; T625-I627 VanDerWaalsContact O-N 3.13Å; I627-V629 PolarHBondContact O-N 2.95Å; I627-S630 PolarHBondContact O-N 3.46Å; I627-S631 WeakPolarHBondContact O-CB 3.5Å; I627-S631 PolarHBondContact O-N 2.9Å; I627-S631 PolarHBondContact O-OG 3.4Å
628	Q	95.5	Very high	95.9	Very high	81 Å²	81	52.6 Å²	52.6	38%	0.379	32%	0.317	S	S	.	.	H	α-helix	trans	-62.8	-40.1	175.4	-73.5	161.6	-60.8	0	0	112.2	I624 T625 S631 W632	I624-Q628 HydrophobicContact CB-CB 4.39Å; I624-Q628 HydrophobicContact CD1-CB 4.21Å; T625-Q628 WeakPolarHBondContact O-CA 3.2Å; T625-Q628 WeakPolarHBondContact O-CB 3.36Å; T625-Q628 PolarHBondContact O-N 3.03Å; T625-Q628 WeakPolarHBondContact OG1-CG 3.34Å; T625-Q628 PolarHBondContact OG1-N 3.5Å; T625-Q628 VanDerWaalsContact OG1-N 3.17Å; T625-Q628 PolarHBondContact OG1-OE1 3.47Å; Q628-S631 PolarHBondContact O-N 3.02Å; Q628-W632 WeakPolarHBondContact O-CB 3.46Å; Q628-W632 PolarHBondContact O-N 3.25Å
629	V	97.4	Very high	95.6	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-58.5	-53.9	172.6	177.9	0	0	0	0	110	M597 K615 L618 A619 I624 T625 V626 I627 S631 W632 F633	M597-V629 HydrophobicContact SD-CB 4.17Å; M597-V629 HydrophobicContact SD-CG1 4.01Å; M597-V629 HydrophobicContact SD-CG2 4.02Å; K615-V629 HydrophobicContact CB-CG1 4.21Å; K615-V629 HydrophobicContact CG-CG1 4.02Å; L618-V629 HydrophobicContact CB-CG1 4.17Å; L618-V629 HydrophobicContact CB-CG2 4.43Å; L618-V629 HydrophobicContact CD1-CG1 4.44Å; A619-V629 HydrophobicContact CB-CG2 3.97Å; I624-V629 HydrophobicContact CD1-CG2 3.61Å; I624-V629 HydrophobicContact CG1-CG2 3.95Å; T625-V629 PolarHBondContact O-N 3.39Å; V626-V629 PolarHBondContact O-N 2.88Å; I627-V629 PolarHBondContact O-N 2.95Å; V629-S631 VanDerWaalsContact C-N 3.32Å; V629-S631 PolarHBondContact O-N 3.37Å; V629-W632 PolarHBondContact O-N 2.88Å; V629-W632 VanDerWaalsContact O-N 3.11Å; V629-F633 HydrophobicContact CG1-CD2 3.74Å; V629-F633 HydrophobicContact CG1-CE2 3.87Å; V629-F633 WeakPolarHBondContact O-CD2 3.32Å; V629-F633 PolarHBondContact O-N 2.96Å
630	S	96.7	Very high	95.2	Very high	55 Å²	55	64.8 Å²	64.8	39%	0.385	37%	0.367	S	S	.	.	H	α-helix	trans	-56.9	-43.2	179.7	-166.8	0	0	0	0	112.6	V626 I627 A634	V626-S630 WeakPolarHBondContact O-CB 3.5Å; V626-S630 PolarHBondContact O-N 3.5Å; I627-S630 PolarHBondContact O-N 3.46Å; S630-A634 WeakPolarHBondContact O-CB 3.32Å; S630-A634 PolarHBondContact O-N 2.98Å
631	S	96	Very high	94.6	Very high	58 Å²	58	64.8 Å²	64.8	41%	0.406	37%	0.367	S	S	.	.	H	α-helix	trans	-66	-41.3	175	-61.3	0	0	0	0	113	I627 Q628 V629 A634 N635	I627-S631 WeakPolarHBondContact O-CB 3.5Å; I627-S631 PolarHBondContact O-N 2.9Å; I627-S631 PolarHBondContact O-OG 3.4Å; Q628-S631 PolarHBondContact O-N 3.02Å; V629-S631 VanDerWaalsContact C-N 3.32Å; V629-S631 PolarHBondContact O-N 3.37Å; S631-A634 PolarHBondContact O-N 3.26Å; S631-N635 WeakPolarHBondContact O-CB 3.49Å; S631-N635 VanDerWaalsContact O-CG 3.24Å; S631-N635 PolarHBondContact O-N 3.47Å; S631-N635 PolarHBondContact O-ND2 3.03Å
632	W	97	Very high	93.9	Very high	34 Å²	34	62.4 Å²	62.4	13%	0.129	36%	0.355	C	S	.	.	H	α-helix	trans	-62.2	-48.1	176.6	-174.2	95.2	0	0	0	110.8	L589 M597 E598 Y601 Q628 V629 A634 N635 R636	L589-W632 HydrophobicContact CD1-CB 4.35Å; L589-W632 HydrophobicContact CD1-CG 4.24Å; M597-W632 HydrophobicContact CB-CD2 4.11Å; M597-W632 HydrophobicContact CB-CE3 3.76Å; M597-W632 HydrophobicContact CB-CH2 3.97Å; M597-W632 HydrophobicContact CB-CZ2 4.27Å; M597-W632 HydrophobicContact CB-CZ3 3.7Å; M597-W632 HydrophobicContact CE-CB 3.79Å; M597-W632 HydrophobicContact CE-CD2 3.69Å; M597-W632 HydrophobicContact CE-CE3 4.29Å; M597-W632 HydrophobicContact CE-CG 3.43Å; M597-W632 VanDerWaalsContact CE-CG 3.43Å; M597-W632 HydrophobicContact CG-CE3 4.45Å; M597-W632 HydrophobicContact SD-CB 3.94Å; M597-W632 HydrophobicContact SD-CD2 3.97Å; M597-W632 HydrophobicContact SD-CE3 3.99Å; M597-W632 HydrophobicContact SD-CG 3.96Å; E598-W632 WeakPolarHBondContact OE2-CH2 3.43Å; E598-W632 WeakPolarHBondContact OE2-CZ2 3.37Å; Y601-W632 HydrophobicContact CD2-CZ3 4.13Å; Y601-W632 HydrophobicContact CG-CH2 4.48Å; Y601-W632 HydrophobicContact CG-CZ3 4.45Å; Q628-W632 WeakPolarHBondContact O-CB 3.46Å; Q628-W632 PolarHBondContact O-N 3.25Å; V629-W632 PolarHBondContact O-N 2.88Å; V629-W632 VanDerWaalsContact O-N 3.11Å; W632-A634 PolarHBondContact O-N 3.23Å; W632-N635 PolarHBondContact O-N 3.08Å; W632-R636 HydrophobicContact CD2-CB 4.41Å; W632-R636 HydrophobicContact CE3-CB 4.07Å; W632-R636 HydrophobicContact CH2-CB 4.17Å; W632-R636 HydrophobicContact CH2-CG 3.79Å; W632-R636 HydrophobicContact CZ2-CG 4.34Å; W632-R636 HydrophobicContact CZ3-CB 3.94Å; W632-R636 HydrophobicContact CZ3-CG 3.89Å; W632-R636 VanDerWaalsContact O-CB 3.24Å; W632-R636 WeakPolarHBondContact O-CB 3.48Å; W632-R636 PolarHBondContact O-N 3.45Å
633	F	97.1	Very high	93.1	Very high	2 Å²	2	65.2 Å²	65.2	1%	0.009	37%	0.372	C	S	.	.	H	α-helix	trans	-63.3	-37.5	177.3	-87.3	-82.1	0	0	0	113.2	M597 W600 Y601 P610 L618 V629 R637	M597-F633 HydrophobicContact CB-CE2 4.05Å; M597-F633 HydrophobicContact CB-CZ 4.29Å; M597-F633 HydrophobicContact CG-CE2 3.96Å; M597-F633 HydrophobicContact SD-CD2 4.38Å; M597-F633 HydrophobicContact SD-CE2 4.06Å; W600-F633 HydrophobicContact CD2-CE1 4.42Å; W600-F633 HydrophobicContact CD2-CZ 4.16Å; W600-F633 HydrophobicContact CE3-CD1 4.49Å; W600-F633 AromaticContact CE3-CE1 3.32Å; W600-F633 HydrophobicContact CE3-CE1 3.32Å; W600-F633 AromaticContact CE3-CZ 3.44Å; W600-F633 HydrophobicContact CE3-CZ 3.44Å; W600-F633 VanDerWaalsContact CE3-CZ 3.44Å; W600-F633 HydrophobicContact CZ3-CD1 4.29Å; W600-F633 AromaticContact CZ3-CE1 3.47Å; W600-F633 HydrophobicContact CZ3-CE1 3.47Å; W600-F633 VanDerWaalsContact CZ3-CE1 3.47Å; W600-F633 HydrophobicContact CZ3-CZ 4.01Å; Y601-F633 AromaticContact CD2-CD1 3.96Å; Y601-F633 HydrophobicContact CD2-CD1 3.96Å; Y601-F633 AromaticContact CD2-CE1 3.76Å; Y601-F633 HydrophobicContact CD2-CE1 3.76Å; Y601-F633 HydrophobicContact CG-CE1 4.49Å; P610-F633 HydrophobicContact CG-CD1 4Å; P610-F633 HydrophobicContact CG-CD2 3.99Å; P610-F633 HydrophobicContact CG-CE1 4.14Å; P610-F633 HydrophobicContact CG-CE2 4.13Å; P610-F633 HydrophobicContact CG-CG 3.94Å; P610-F633 HydrophobicContact CG-CZ 4.2Å; L618-F633 HydrophobicContact CD1-CE2 3.83Å; L618-F633 HydrophobicContact CD1-CZ 4.02Å; V629-F633 HydrophobicContact CG1-CD2 3.74Å; V629-F633 HydrophobicContact CG1-CE2 3.87Å; V629-F633 WeakPolarHBondContact O-CD2 3.32Å; V629-F633 PolarHBondContact O-N 2.96Å; F633-R637 WeakPolarHBondContact O-CG 3.44Å; F633-R637 PolarHBondContact O-N 2.96Å; F633-R637 VanDerWaalsContact O-N 3.1Å
634	A	94.1	Very high	91.9	Very high	38 Å²	38	65.3 Å²	65.3	31%	0.314	35%	0.354	S	S	.	.	H	α-helix	trans	-63.3	-46.9	173.4	0	0	0	0	0	112	S630 S631 W632 T638	S630-A634 WeakPolarHBondContact O-CB 3.32Å; S630-A634 PolarHBondContact O-N 2.98Å; S631-A634 PolarHBondContact O-N 3.26Å; W632-A634 PolarHBondContact O-N 3.23Å; A634-T638 WeakPolarHBondContact O-CB 3.26Å; A634-T638 PolarHBondContact O-N 3.31Å; A634-T638 PolarHBondContact O-OG1 3.41Å
635	N	95.2	Very high	90.5	Very high	94 Å²	94	67.7 Å²	67.7	50%	0.503	37%	0.371	S	S	.	.	H	α-helix	trans	-67.7	-38.4	178.3	-70.2	-20.4	0	0	0	112.2	S631 W632 T638 R639	S631-N635 WeakPolarHBondContact O-CB 3.49Å; S631-N635 VanDerWaalsContact O-CG 3.24Å; S631-N635 PolarHBondContact O-N 3.47Å; S631-N635 PolarHBondContact O-ND2 3.03Å; W632-N635 PolarHBondContact O-N 3.08Å; N635-T638 PolarHBondContact O-N 2.92Å; N635-R639 VanDerWaalsContact O-CG 3.32Å; N635-R639 WeakPolarHBondContact O-CG 3.29Å; N635-R639 PolarHBondContact O-N 2.9Å
636	R	95.5	Very high	89.1	Confident	67 Å²	67	72.9 Å²	72.9	25%	0.253	39%	0.387	S	S	.	.	H	α-helix	trans	-62.8	-56.4	179.2	-179.4	65.2	-170.1	-150.3	0.8	111	E598 Y601 W632 T638 R639 T640	E598-R636 IonicContact OE1-CZ 3.02Å; E598-R636 IonicContact OE1-NH1 2.72Å; E598-R636 PolarHBondContact OE1-NH1 2.88Å; E598-R636 IonicContact OE1-NH2 2.71Å; E598-R636 PolarHBondContact OE1-NH2 3.31Å; E598-R636 IonicContact OE2-CZ 3.19Å; E598-R636 IonicContact OE2-NE 3.89Å; E598-R636 IonicContact OE2-NH1 2.66Å; E598-R636 PolarHBondContact OE2-NH1 3.11Å; E598-R636 IonicContact OE2-NH2 3.66Å; Y601-R636 HydrophobicContact CD1-CG 4.29Å; Y601-R636 HydrophobicContact CD2-CB 4.32Å; Y601-R636 HydrophobicContact CD2-CG 3.46Å; Y601-R636 VanDerWaalsContact CD2-CG 3.46Å; Y601-R636 HydrophobicContact CE1-CG 4.22Å; Y601-R636 HydrophobicContact CE2-CB 4.13Å; Y601-R636 HydrophobicContact CE2-CG 3.34Å; Y601-R636 HydrophobicContact CG-CG 3.97Å; W632-R636 HydrophobicContact CD2-CB 4.41Å; W632-R636 HydrophobicContact CE3-CB 4.07Å; W632-R636 HydrophobicContact CH2-CB 4.17Å; W632-R636 HydrophobicContact CH2-CG 3.79Å; W632-R636 HydrophobicContact CZ2-CG 4.34Å; W632-R636 HydrophobicContact CZ3-CB 3.94Å; W632-R636 HydrophobicContact CZ3-CG 3.89Å; W632-R636 VanDerWaalsContact O-CB 3.24Å; W632-R636 WeakPolarHBondContact O-CB 3.48Å; W632-R636 PolarHBondContact O-N 3.45Å; R636-T638 PolarHBondContact O-N 3.36Å; R636-R639 PolarHBondContact O-N 3.2Å; R636-T640 PolarHBondContact O-N 2.86Å; R636-T640 PolarHBondContact O-OG1 3.47Å
637	R	94.8	Very high	87.6	Confident	32 Å²	32	78.8 Å²	78.8	12%	0.121	41%	0.408	C	S	.	.	H	α-helix	trans	-55.3	-37.3	175.7	-70.3	-175.5	-61.7	-102.5	-3.9	112.5	Y601 P608 Y609 F633 A641 N642 T643	Y601-R637 HydrophobicContact CE2-CG 3.98Å; P608-R637 HydrophobicContact CB-CG 4.1Å; P608-R637 HydrophobicContact CG-CG 3.79Å; P608-R637 WeakPolarHBondContact O-CD 3.5Å; P608-R637 PolarHBondContact O-NH1 3.27Å; Y609-R637 VanDerWaalsContact CE2-CD 3.46Å; F633-R637 WeakPolarHBondContact O-CG 3.44Å; F633-R637 PolarHBondContact O-N 2.96Å; F633-R637 VanDerWaalsContact O-N 3.1Å; R637-A641 CarbonylContact O-C 3.47Å; R637-A641 WeakPolarHBondContact O-CA 3.44Å; R637-A641 PolarHBondContact O-N 2.87Å; R637-N642 WeakPolarHBondContact CD-O 3.43Å; R637-N642 HydrophobicContact CG-CB 4.39Å; R637-N642 PolarHBondContact O-N 3.06Å; R637-N642 VanDerWaalsContact O-N 3.09Å; R637-T643 HydrophobicContact CB-CG2 3.8Å
638	T	90.3	Very high	86.6	Confident	99 Å²	99	76.5 Å²	76.5	61%	0.607	40%	0.397	S	S	*	.	H	α-helix	trans	-68	-35.6	178.6	-55.6	0	0	0	0	111.9	A634 N635 R636	A634-T638 WeakPolarHBondContact O-CB 3.26Å; A634-T638 PolarHBondContact O-N 3.31Å; A634-T638 PolarHBondContact O-OG1 3.41Å; N635-T638 PolarHBondContact O-N 2.92Å; R636-T638 PolarHBondContact O-N 3.36Å
639	R	91.6	Very high	85.9	Confident	216 Å²	216	75.9 Å²	75.9	82%	0.815	39%	0.392	S	S	*	.	H	α-helix	trans	-75.1	-30.3	176.9	-72.7	171.1	179.2	-172.7	-1.3	113.7	N635 R636	N635-R639 VanDerWaalsContact O-CG 3.32Å; N635-R639 WeakPolarHBondContact O-CG 3.29Å; N635-R639 PolarHBondContact O-N 2.9Å; R636-R639 PolarHBondContact O-N 3.2Å
640	T	90.7	Very high	85.1	Confident	56 Å²	56	83.2 Å²	83.2	34%	0.344	42%	0.419	S	S	.	.	S	Bend	trans	-100.6	4.1	-179.5	61.3	0	0	0	0	113.6	Y601 R636 N642	Y601-T640 PolarHBondContact OH-OG1 3.31Å; R636-T640 PolarHBondContact O-N 2.86Å; R636-T640 PolarHBondContact O-OG1 3.47Å; T640-N642 WeakPolarHBondContact CB-OD1 3.41Å; T640-N642 PolarHBondContact O-N 3.28Å; T640-N642 PolarHBondContact O-OD1 3.39Å; T640-N642 PolarHBondContact OG1-OD1 3.03Å
641	A	84.4	Confident	84.5	Confident	81 Å²	81	87.6 Å²	87.6	67%	0.669	43%	0.431	S	S	*	.	S	Bend	trans	62.7	4.8	-175	0	0	0	0	0	117.4	R637 T643	R637-A641 CarbonylContact O-C 3.47Å; R637-A641 WeakPolarHBondContact O-CA 3.44Å; R637-A641 PolarHBondContact O-N 2.87Å; A641-T643 PolarHBondContact O-N 3.43Å
642	N	81.3	Confident	84	Confident	50 Å²	50	86.9 Å²	86.9	27%	0.267	42%	0.423	S	S	.	.			trans	-69.9	35.1	173.5	-51.6	77.7	0	0	0	113.8	Y601 V605 P608 R637 T640	Y601-N642 WeakPolarHBondContact OH-CB 3.47Å; Y601-N642 PolarHBondContact OH-OD1 3.43Å; V605-N642 PolarHBondContact O-ND2 3.34Å; P608-N642 HydrophobicContact CG-CB 3.74Å; R637-N642 WeakPolarHBondContact CD-O 3.43Å; R637-N642 HydrophobicContact CG-CB 4.39Å; R637-N642 PolarHBondContact O-N 3.06Å; R637-N642 VanDerWaalsContact O-N 3.09Å; T640-N642 WeakPolarHBondContact CB-OD1 3.41Å; T640-N642 PolarHBondContact O-N 3.28Å; T640-N642 PolarHBondContact O-OD1 3.39Å; T640-N642 PolarHBondContact OG1-OD1 3.03Å
643	T	78.7	Confident	83.6	Confident	62 Å²	62	86 Å²	86	38%	0.38	42%	0.42	S	S	.	.			trans	-94.8	115.3	174.3	54.5	0	0	0	0	111.1	R637 A641 P645	R637-T643 HydrophobicContact CB-CG2 3.8Å; A641-T643 PolarHBondContact O-N 3.43Å; T643-P645 WeakPolarHBondContact O-CD 3.48Å
644	K	69.2	Low	83.2	Confident	66 Å²	66	89.8 Å²	89.8	29%	0.287	44%	0.437	S	S	.	.			trans	-46.8	117.5	177.9	-72.2	171.3	-178.5	169.1	0	111.8	N607 Y609 K646 L688 T689	N607-K644 PolarHBondContact OD1-NZ 2.84Å; Y609-K644 HydrophobicContact CD2-CD 4.16Å; Y609-K644 HydrophobicContact CE1-CD 4.33Å; Y609-K644 HydrophobicContact CE2-CD 3.64Å; Y609-K644 VanDerWaalsContact CE2-CE 3.47Å; Y609-K644 HydrophobicContact CE2-CG 3.82Å; Y609-K644 PolarHBondContact OH-N 3.09Å; K644-K646 PolarHBondContact O-N 3.39Å; K644-L688 VanDerWaalsContact CD-O 3.26Å; K644-L688 WeakPolarHBondContact CD-O 3.29Å; K644-L688 WeakPolarHBondContact CE-O 3.35Å; K644-L688 PolarHBondContact NZ-O 2.97Å; K644-T689 PolarHBondContact NZ-O 3.23Å
645	P	66.4	Low	83.1	Confident	73 Å²	73	91.3 Å²	91.3	47%	0.474	44%	0.438	S	S	.	.			trans	-64.9	79.3	-167.5	-28.8	37.8	0	0	0	117.2	T643 K647 N648 R649	T643-P645 WeakPolarHBondContact O-CD 3.48Å; P645-K647 PolarHBondContact O-N 2.79Å; P645-N648 HydrophobicContact CB-CB 4.2Å; P645-N648 PolarHBondContact O-N 3.35Å; P645-R649 PolarHBondContact O-N 2.86Å
646	K	66.2	Low	83	Confident	179 Å²	179	87.7 Å²	87.7	78%	0.778	42%	0.418	S	S	*	.	H	α-helix	trans	-54.9	-28.1	-178.5	-67.9	-170	177.2	-174.8	0	115.6	K644	K644-K646 PolarHBondContact O-N 3.39Å
647	K	66.5	Low	82.8	Confident	182 Å²	182	85.5 Å²	85.5	79%	0.791	41%	0.41	S	S	*	.	H	α-helix	trans	-77.7	-51.7	177.6	-71.6	-176.8	179.8	176.6	0	111.8	P645 R649 R650	P645-K647 PolarHBondContact O-N 2.79Å; K647-R649 VanDerWaalsContact C-N 3.29Å; K647-R649 PolarHBondContact O-N 3.32Å; K647-R650 PolarHBondContact O-N 3.37Å
648	N	75	Confident	82.8	Confident	81 Å²	81	88.2 Å²	88.2	43%	0.433	42%	0.424	S	S	.	.	H	α-helix	trans	-66.2	-34.7	-176.5	-64	11.3	0	0	0	111.1	P645 R650 K651 L652	P645-N648 HydrophobicContact CB-CB 4.2Å; P645-N648 PolarHBondContact O-N 3.35Å; N648-R650 PolarHBondContact O-N 2.98Å; N648-R650 VanDerWaalsContact O-N 3.17Å; N648-K651 WeakPolarHBondContact O-CB 3.44Å; N648-K651 PolarHBondContact O-N 3.4Å; N648-L652 PolarHBondContact O-N 3.46Å
649	R	79.9	Confident	82.9	Confident	68 Å²	68	86.8 Å²	86.8	26%	0.257	41%	0.413	S	S	.	.	H	α-helix	trans	-49	-41.3	172.1	-176.3	176.7	173.1	142.3	2.4	113.4	P645 K647 L652 Y653 D685	P645-R649 PolarHBondContact O-N 2.86Å; K647-R649 VanDerWaalsContact C-N 3.29Å; K647-R649 PolarHBondContact O-N 3.32Å; R649-L652 PolarHBondContact O-N 2.86Å; R649-Y653 HydrophobicContact CG-CD2 3.73Å; R649-Y653 HydrophobicContact CG-CE2 3.69Å; R649-Y653 PolarHBondContact NH2-OH 3.1Å; R649-Y653 VanDerWaalsContact O-CD2 3.27Å; R649-Y653 WeakPolarHBondContact O-CD2 3.2Å; R649-Y653 PolarHBondContact O-N 2.75Å; R649-D685 IonicContact CZ-OD1 3.23Å; R649-D685 IonicContact CZ-OD2 3.57Å; R649-D685 IonicContact NH1-OD1 3.41Å; R649-D685 PolarHBondContact NH1-OD1 2.87Å; R649-D685 IonicContact NH1-OD2 2.64Å; R649-D685 IonicContact NH2-OD1 2.75Å; R649-D685 PolarHBondContact NH2-OD1 3.38Å; R649-D685 IonicContact NH2-OD2 2.71Å; R649-D685 PolarHBondContact NH2-OD2 3.22Å
650	R	79.9	Confident	83	Confident	154 Å²	154	76.6 Å²	76.6	58%	0.581	38%	0.375	S	S	*	.	H	α-helix	trans	-67.8	-36.2	178.6	-72.6	-173.2	179	173.7	-0.5	113.1	K647 N648 H654	K647-R650 PolarHBondContact O-N 3.37Å; N648-R650 PolarHBondContact O-N 2.98Å; N648-R650 VanDerWaalsContact O-N 3.17Å; R650-H654 WeakPolarHBondContact O-CB 3.42Å; R650-H654 PolarHBondContact O-N 3.07Å
651	K	84.1	Confident	83.2	Confident	147 Å²	147	76.3 Å²	76.3	64%	0.639	37%	0.372	S	S	*	.	H	α-helix	trans	-66.4	-48.6	174	-66.6	-171.4	174.2	-171.4	0	110.4	N648 Y653 H654 Q655	N648-K651 WeakPolarHBondContact O-CB 3.44Å; N648-K651 PolarHBondContact O-N 3.4Å; K651-Y653 PolarHBondContact O-N 2.74Å; K651-H654 WeakPolarHBondContact O-CB 3.49Å; K651-H654 PolarHBondContact O-N 3.42Å; K651-H654 VanDerWaalsContact O-N 3.08Å; K651-Q655 WeakPolarHBondContact O-CG 3.41Å; K651-Q655 PolarHBondContact O-N 2.68Å; K651-Q655 PolarHBondContact O-OE1 3.39Å
652	L	86.5	Confident	83.6	Confident	44 Å²	44	77.8 Å²	77.8	23%	0.23	37%	0.366	C	S	.	.	H	α-helix	trans	-54.6	-53.6	178.5	-179.5	60.2	0	0	0	112	N648 R649 H654 Q655 I656 I684	N648-L652 PolarHBondContact O-N 3.46Å; R649-L652 PolarHBondContact O-N 2.86Å; L652-H654 PolarHBondContact O-N 2.89Å; L652-Q655 PolarHBondContact O-N 3.26Å; L652-I656 HydrophobicContact CD1-CD1 3.78Å; L652-I656 HydrophobicContact CD1-CG1 4.33Å; L652-I656 HydrophobicContact CG-CD1 3.74Å; L652-I656 WeakPolarHBondContact O-CB 3.42Å; L652-I656 WeakPolarHBondContact O-CD1 3.33Å; L652-I656 VanDerWaalsContact O-CG1 3.22Å; L652-I656 WeakPolarHBondContact O-CG1 3.45Å; L652-I656 PolarHBondContact O-N 2.85Å; L652-I684 HydrophobicContact CD2-CD1 4.16Å; L652-I684 HydrophobicContact CD2-CG2 4.13Å; L652-I684 HydrophobicContact CG-CD1 4.3Å
653	Y	88.3	Confident	84.1	Confident	15 Å²	15	77.8 Å²	77.8	6%	0.059	37%	0.365	C	S	.	.	H	α-helix	trans	-64.8	-23.3	178.7	-84.8	-111.5	0	0	0	114	R649 K651 Y657 Q677 G681 I684 D685	R649-Y653 HydrophobicContact CG-CD2 3.73Å; R649-Y653 HydrophobicContact CG-CE2 3.69Å; R649-Y653 PolarHBondContact NH2-OH 3.1Å; R649-Y653 VanDerWaalsContact O-CD2 3.27Å; R649-Y653 WeakPolarHBondContact O-CD2 3.2Å; R649-Y653 PolarHBondContact O-N 2.75Å; K651-Y653 PolarHBondContact O-N 2.74Å; Y653-Y657 PolarHBondContact O-N 3.44Å; Y653-Q677 PolarHBondContact O-NE2 2.84Å; Y653-G681 PolarHBondContact OH-O 3.28Å; Y653-I684 HydrophobicContact CE2-CG2 3.93Å; Y653-D685 PolarHBondContact OH-OD2 3.24Å; Y653-D685 VanDerWaalsContact OH-OD2 3.08Å
654	H	89.2	Confident	84.8	Confident	81 Å²	81	76.5 Å²	76.5	38%	0.375	36%	0.355	S	S	.	.	H	α-helix	trans	-78.9	-45	173.6	178.8	68.9	0	0	0	111.7	R650 K651 L652 I656 Y657 Q658	R650-H654 WeakPolarHBondContact O-CB 3.42Å; R650-H654 PolarHBondContact O-N 3.07Å; K651-H654 WeakPolarHBondContact O-CB 3.49Å; K651-H654 PolarHBondContact O-N 3.42Å; K651-H654 VanDerWaalsContact O-N 3.08Å; L652-H654 PolarHBondContact O-N 2.89Å; H654-I656 VanDerWaalsContact C-N 3.32Å; H654-I656 PolarHBondContact O-N 3.28Å; H654-Y657 WeakPolarHBondContact O-CB 3.42Å; H654-Y657 PolarHBondContact O-N 3.15Å; H654-Y657 VanDerWaalsContact O-N 3.11Å; H654-Q658 WeakPolarHBondContact O-CG 3.44Å; H654-Q658 PolarHBondContact O-N 2.89Å
655	Q	91.4	Very high	85.9	Confident	71 Å²	71	76.6 Å²	76.6	33%	0.332	37%	0.367	S	S	.	.	H	α-helix	trans	-62.9	-39.2	175.5	-68.6	170.3	-92.3	0	0	111.6	K651 L652 Y657 Q658 L659	K651-Q655 WeakPolarHBondContact O-CG 3.41Å; K651-Q655 PolarHBondContact O-N 2.68Å; K651-Q655 PolarHBondContact O-OE1 3.39Å; L652-Q655 PolarHBondContact O-N 3.26Å; Q655-Y657 VanDerWaalsContact C-N 3.32Å; Q655-Y657 PolarHBondContact O-N 2.86Å; Q655-Q658 PolarHBondContact O-N 3.29Å; Q655-L659 WeakPolarHBondContact O-CG 3.45Å; Q655-L659 PolarHBondContact O-N 3.5Å
656	I	92.5	Very high	87.2	Confident	17 Å²	17	80.1 Å²	80.1	9%	0.087	38%	0.382	C	S	.	.	H	α-helix	trans	-61.6	-40	172.4	-69.9	160.1	0	0	0	111.4	L652 H654 A660 Q677 I680 I684	L652-I656 HydrophobicContact CD1-CD1 3.78Å; L652-I656 HydrophobicContact CD1-CG1 4.33Å; L652-I656 HydrophobicContact CG-CD1 3.74Å; L652-I656 WeakPolarHBondContact O-CB 3.42Å; L652-I656 WeakPolarHBondContact O-CD1 3.33Å; L652-I656 VanDerWaalsContact O-CG1 3.22Å; L652-I656 WeakPolarHBondContact O-CG1 3.45Å; L652-I656 PolarHBondContact O-N 2.85Å; H654-I656 VanDerWaalsContact C-N 3.32Å; H654-I656 PolarHBondContact O-N 3.28Å; I656-A660 WeakPolarHBondContact O-CB 3.42Å; I656-A660 PolarHBondContact O-N 3.41Å; I656-Q677 HydrophobicContact CG2-CG 4.29Å; I656-I680 HydrophobicContact CD1-CG2 3.9Å; I656-I680 HydrophobicContact CG1-CG2 4.22Å; I656-I680 HydrophobicContact CG2-CB 3.98Å; I656-I680 HydrophobicContact CG2-CD1 4.01Å; I656-I680 HydrophobicContact CG2-CG2 3.78Å; I656-I684 HydrophobicContact CD1-CD1 3.19Å
657	Y	92.4	Very high	88.5	Confident	21 Å²	21	73.5 Å²	73.5	8%	0.082	36%	0.356	C	S	.	.	H	α-helix	trans	-66.8	-39.8	175.4	-178.4	-91.1	0	0	0	112.3	F344 Y345 Y653 H654 Q655 A660 V661 A673 Q677	F344-Y657 AromaticContact CE1-CD1 3.41Å; F344-Y657 HydrophobicContact CE1-CD1 3.41Å; F344-Y657 VanDerWaalsContact CE1-CD1 3.41Å; F344-Y657 AromaticContact CE1-CD2 3.93Å; F344-Y657 HydrophobicContact CE1-CD2 3.93Å; F344-Y657 AromaticContact CE1-CE1 3.42Å; F344-Y657 HydrophobicContact CE1-CE1 3.42Å; F344-Y657 VanDerWaalsContact CE1-CE1 3.42Å; F344-Y657 AromaticContact CE1-CE2 3.94Å; F344-Y657 HydrophobicContact CE1-CE2 3.94Å; F344-Y657 AromaticContact CE1-CG 3.66Å; F344-Y657 HydrophobicContact CE1-CG 3.66Å; F344-Y657 AromaticContact CE1-CZ 3.7Å; F344-Y657 AromaticContact CZ-CD1 3.47Å; F344-Y657 HydrophobicContact CZ-CD1 3.47Å; F344-Y657 VanDerWaalsContact CZ-CD1 3.47Å; F344-Y657 AromaticContact CZ-CE1 3.56Å; F344-Y657 HydrophobicContact CZ-CE1 3.56Å; F344-Y657 HydrophobicContact CZ-CG 4.11Å; Y345-Y657 AromaticContact CE1-CE2 3.96Å; Y345-Y657 HydrophobicContact CE1-CE2 3.96Å; Y345-Y657 AromaticContact CZ-CE2 3.9Å; Y653-Y657 PolarHBondContact O-N 3.44Å; H654-Y657 WeakPolarHBondContact O-CB 3.42Å; H654-Y657 PolarHBondContact O-N 3.15Å; H654-Y657 VanDerWaalsContact O-N 3.11Å; Q655-Y657 VanDerWaalsContact C-N 3.32Å; Q655-Y657 PolarHBondContact O-N 2.86Å; Y657-A660 PolarHBondContact O-N 3.18Å; Y657-V661 HydrophobicContact CD1-CG2 3.9Å; Y657-V661 HydrophobicContact CE1-CG2 3.37Å; Y657-V661 HydrophobicContact CE2-CG2 4.18Å; Y657-V661 WeakPolarHBondContact O-CG2 3.4Å; Y657-V661 PolarHBondContact O-N 3.16Å; Y657-A673 HydrophobicContact CE2-CB 4.33Å; Y657-Q677 HydrophobicContact CD2-CB 4.48Å; Y657-Q677 HydrophobicContact CD2-CG 4.49Å
658	Q	93.5	Very high	89.6	Confident	90 Å²	90	73.5 Å²	73.5	42%	0.421	36%	0.359	S	S	.	.	H	α-helix	trans	-58.6	-51.4	175.5	-69.2	173.3	-58.1	0	0	110.6	H654 Q655 A660 V661 E662	H654-Q658 WeakPolarHBondContact O-CG 3.44Å; H654-Q658 PolarHBondContact O-N 2.89Å; Q655-Q658 PolarHBondContact O-N 3.29Å; Q658-A660 VanDerWaalsContact C-N 3.3Å; Q658-A660 PolarHBondContact O-N 2.79Å; Q658-V661 PolarHBondContact O-N 2.94Å; Q658-V661 VanDerWaalsContact O-N 3.17Å; Q658-E662 WeakPolarHBondContact O-CG 3.26Å; Q658-E662 PolarHBondContact O-N 3.49Å
659	L	93.3	Very high	90.1	Very high	69 Å²	69	71.3 Å²	71.3	36%	0.361	36%	0.356	S	S	.	.	H	α-helix	trans	-59.7	-38.3	174	-66.9	170.3	0	0	0	112.5	Q655 E662 I663	Q655-L659 WeakPolarHBondContact O-CG 3.45Å; Q655-L659 PolarHBondContact O-N 3.5Å; L659-E662 PolarHBondContact O-N 2.96Å; L659-I663 WeakPolarHBondContact O-CD1 3.34Å; L659-I663 VanDerWaalsContact O-CG1 3.25Å; L659-I663 WeakPolarHBondContact O-CG1 3.27Å; L659-I663 PolarHBondContact O-N 3.47Å
660	A	94.4	Very high	90.4	Very high	2 Å²	2	70.7 Å²	70.7	2%	0.017	37%	0.365	C	S	.	.	H	α-helix	trans	-67.8	-33.4	177.7	0	0	0	0	0	112.9	I656 Y657 Q658 E664 A673 L676	I656-A660 WeakPolarHBondContact O-CB 3.42Å; I656-A660 PolarHBondContact O-N 3.41Å; Y657-A660 PolarHBondContact O-N 3.18Å; Q658-A660 VanDerWaalsContact C-N 3.3Å; Q658-A660 PolarHBondContact O-N 2.79Å; A660-E664 WeakPolarHBondContact O-CB 3.34Å; A660-E664 PolarHBondContact O-N 3.49Å; A660-A673 HydrophobicContact CB-CB 4.03Å; A660-A673 WeakPolarHBondContact CB-O 3.4Å; A660-A673 WeakPolarHBondContact O-CB 3.47Å; A660-L676 HydrophobicContact CB-CB 3.85Å; A660-L676 HydrophobicContact CB-CD1 4.29Å
661	V	93.2	Very high	90.8	Very high	49 Å²	49	64.6 Å²	64.6	30%	0.297	34%	0.344	S	S	.	.	H	α-helix	trans	-71.9	-37.5	172.5	169.6	0	0	0	0	111.6	Y657 Q658 E664 A665 A673	Y657-V661 HydrophobicContact CD1-CG2 3.9Å; Y657-V661 HydrophobicContact CE1-CG2 3.37Å; Y657-V661 HydrophobicContact CE2-CG2 4.18Å; Y657-V661 WeakPolarHBondContact O-CG2 3.4Å; Y657-V661 PolarHBondContact O-N 3.16Å; Q658-V661 PolarHBondContact O-N 2.94Å; Q658-V661 VanDerWaalsContact O-N 3.17Å; V661-E664 PolarHBondContact O-N 3.22Å; V661-A665 PolarHBondContact O-N 2.78Å; V661-A673 HydrophobicContact CB-CB 4.42Å; V661-A673 HydrophobicContact CG2-CB 3.65Å
662	E	92.8	Very high	91.1	Very high	113 Å²	113	63.9 Å²	63.9	53%	0.528	34%	0.337	S	S	.	.	H	α-helix	trans	-62.3	-44.1	172.2	-70.5	165.7	-154.3	0	0	111	Q658 L659 A665 L666	Q658-E662 WeakPolarHBondContact O-CG 3.26Å; Q658-E662 PolarHBondContact O-N 3.49Å; L659-E662 PolarHBondContact O-N 2.96Å; E662-A665 PolarHBondContact O-N 3.35Å; E662-L666 WeakPolarHBondContact O-CB 3.39Å; E662-L666 VanDerWaalsContact O-CG 3.3Å; E662-L666 WeakPolarHBondContact O-CG 3.06Å; E662-L666 PolarHBondContact O-N 2.88Å
663	I	92.7	Very high	91.3	Very high	50 Å²	50	61.9 Å²	61.9	26%	0.256	33%	0.327	S	S	.	.	H	α-helix	trans	-65.9	-39.2	174.6	-65.2	162.6	0	0	0	111.5	L659 A665 L666 T667 L671 L676	L659-I663 WeakPolarHBondContact O-CD1 3.34Å; L659-I663 VanDerWaalsContact O-CG1 3.25Å; L659-I663 WeakPolarHBondContact O-CG1 3.27Å; L659-I663 PolarHBondContact O-N 3.47Å; I663-A665 VanDerWaalsContact C-N 3.33Å; I663-A665 PolarHBondContact O-N 2.92Å; I663-L666 PolarHBondContact O-N 3.23Å; I663-T667 HydrophobicContact CG2-CG2 4.12Å; I663-T667 WeakPolarHBondContact O-CB 3.46Å; I663-T667 WeakPolarHBondContact O-CG2 3.18Å; I663-T667 PolarHBondContact O-N 3.46Å; I663-T667 PolarHBondContact O-OG1 3.45Å; I663-L671 HydrophobicContact CG2-CB 4.44Å; I663-L671 HydrophobicContact CG2-CD1 4.18Å; I663-L676 HydrophobicContact CB-CD1 3.89Å; I663-L676 HydrophobicContact CD1-CD1 4.44Å; I663-L676 HydrophobicContact CG2-CD1 3.57Å
664	E	94.2	Very high	91.4	Very high	35 Å²	35	63 Å²	63	16%	0.164	34%	0.336	C	S	.	.	H	α-helix	trans	-60.3	-42.6	174	-174.8	-174.1	109.4	0	0	111.5	K352 A660 V661 T667 Q668 G669 L671 A673	K352-E664 IonicContact NZ-OE1 3.11Å; K352-E664 PolarHBondContact NZ-OE1 2.9Å; A660-E664 WeakPolarHBondContact O-CB 3.34Å; A660-E664 PolarHBondContact O-N 3.49Å; V661-E664 PolarHBondContact O-N 3.22Å; E664-T667 PolarHBondContact O-OG1 2.87Å; E664-Q668 PolarHBondContact O-N 2.94Å; E664-Q668 VanDerWaalsContact O-N 3.09Å; E664-G669 PolarHBondContact O-N 3.46Å; E664-L671 VanDerWaalsContact CA-O 3.27Å; E664-L671 WeakPolarHBondContact CA-O 3.38Å; E664-L671 WeakPolarHBondContact CB-O 3.48Å; E664-A673 HydrophobicContact CB-CB 4.22Å; E664-A673 WeakPolarHBondContact OE2-CB 3.32Å; E664-A673 PolarHBondContact OE2-N 2.89Å
665	A	92.7	Very high	91.5	Very high	67 Å²	67	61.6 Å²	61.6	55%	0.554	33%	0.332	S	S	*	.	H	α-helix	trans	-65.5	-46	176.7	0	0	0	0	0	112.1	V661 E662 I663 T667 Q668	V661-A665 PolarHBondContact O-N 2.78Å; E662-A665 PolarHBondContact O-N 3.35Å; I663-A665 VanDerWaalsContact C-N 3.33Å; I663-A665 PolarHBondContact O-N 2.92Å; A665-T667 VanDerWaalsContact C-N 3.32Å; A665-T667 PolarHBondContact O-N 2.73Å; A665-Q668 PolarHBondContact O-N 3.4Å
666	L	93	Very high	91.6	Very high	147 Å²	147	58.8 Å²	58.8	77%	0.77	32%	0.319	S	S	*	.	H	α-helix	trans	-65.5	-33	178.1	-70.7	170	0	0	0	112.9	E662 I663	E662-L666 WeakPolarHBondContact O-CB 3.39Å; E662-L666 VanDerWaalsContact O-CG 3.3Å; E662-L666 WeakPolarHBondContact O-CG 3.06Å; E662-L666 PolarHBondContact O-N 2.88Å; I663-L666 PolarHBondContact O-N 3.23Å
667	T	92.7	Very high	91.5	Very high	40 Å²	40	58.6 Å²	58.6	25%	0.245	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	7.4	177.4	61.5	0	0	0	0	113.7	I663 E664 A665 G669 A670 L671	I663-T667 HydrophobicContact CG2-CG2 4.12Å; I663-T667 WeakPolarHBondContact O-CB 3.46Å; I663-T667 WeakPolarHBondContact O-CG2 3.18Å; I663-T667 PolarHBondContact O-N 3.46Å; I663-T667 PolarHBondContact O-OG1 3.45Å; E664-T667 PolarHBondContact O-OG1 2.87Å; A665-T667 VanDerWaalsContact C-N 3.32Å; A665-T667 PolarHBondContact O-N 2.73Å; T667-G669 PolarHBondContact O-N 3.31Å; T667-G669 VanDerWaalsContact O-N 3.15Å; T667-A670 VanDerWaalsContact O-CB 3.26Å; T667-A670 WeakPolarHBondContact O-CB 3.28Å; T667-A670 PolarHBondContact O-N 2.96Å; T667-L671 HydrophobicContact CG2-CB 4.49Å; T667-L671 HydrophobicContact CG2-CD1 4.26Å; T667-L671 HydrophobicContact CG2-CG 4.42Å; T667-L671 PolarHBondContact OG1-N 3.38Å
668	Q	89.3	Confident	91.4	Very high	183 Å²	183	63.4 Å²	63.4	86%	0.855	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	32.5	-179	-54.6	-176.6	7.8	0	0	113.5	E664 A665	E664-Q668 PolarHBondContact O-N 2.94Å; E664-Q668 VanDerWaalsContact O-N 3.09Å; A665-Q668 PolarHBondContact O-N 3.4Å
669	G	85.3	Confident	91.3	Very high	35 Å²	35	64.5 Å²	64.5	36%	0.361	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	0.3	-177.7	0	0	0	0	0	115.8	E664 T667 L671	E664-G669 PolarHBondContact O-N 3.46Å; T667-G669 PolarHBondContact O-N 3.31Å; T667-G669 VanDerWaalsContact O-N 3.15Å; G669-L671 VanDerWaalsContact C-N 3.26Å; G669-L671 PolarHBondContact O-N 3.35Å
670	A	86.3	Confident	91.2	Very high	54 Å²	54	64 Å²	64	45%	0.446	34%	0.338	S	S	.	.	S	Bend	trans	-66.3	-27.2	176.9	0	0	0	0	0	113	T667	T667-A670 VanDerWaalsContact O-CB 3.26Å; T667-A670 WeakPolarHBondContact O-CB 3.28Å; T667-A670 PolarHBondContact O-N 2.96Å
671	L	89.3	Confident	90.8	Very high	26 Å²	26	64.1 Å²	64.1	14%	0.136	34%	0.34	C	S	.	.	S	Bend	trans	-116.4	115.1	162	-64.8	176.9	0	0	0	108.6	V152 M155 I663 E664 T667 G669 L676	V152-L671 HydrophobicContact CG1-CD2 4.23Å; V152-L671 HydrophobicContact CG2-CD2 4.11Å; M155-L671 HydrophobicContact SD-CD2 3.75Å; M155-L671 HydrophobicContact SD-CG 4.2Å; I663-L671 HydrophobicContact CG2-CB 4.44Å; I663-L671 HydrophobicContact CG2-CD1 4.18Å; E664-L671 VanDerWaalsContact CA-O 3.27Å; E664-L671 WeakPolarHBondContact CA-O 3.38Å; E664-L671 WeakPolarHBondContact CB-O 3.48Å; T667-L671 HydrophobicContact CG2-CB 4.49Å; T667-L671 HydrophobicContact CG2-CD1 4.26Å; T667-L671 HydrophobicContact CG2-CG 4.42Å; T667-L671 PolarHBondContact OG1-N 3.38Å; G669-L671 VanDerWaalsContact C-N 3.26Å; G669-L671 PolarHBondContact O-N 3.35Å; L671-L676 HydrophobicContact CB-CD1 3.98Å; L671-L676 HydrophobicContact CB-CG 4.31Å; L671-L676 HydrophobicContact CD1-CD2 4.41Å
672	R	90.9	Very high	90.5	Very high	132 Å²	132	65.5 Å²	65.5	50%	0.498	34%	0.343	S	S	.	.			trans	-78.1	142.9	178.9	-51.6	-172.7	-59.2	166.9	7.8	110.8	C674 D675 L676	R672-C674 PolarHBondContact O-N 2.99Å; R672-D675 WeakPolarHBondContact CB-OD2 3.26Å; R672-D675 IonicContact CZ-OD1 2.75Å; R672-D675 IonicContact CZ-OD2 3.62Å; R672-D675 IonicContact NE-OD1 2.74Å; R672-D675 IonicContact NE-OD2 3.61Å; R672-D675 PolarHBondContact NE-OD2 3.07Å; R672-D675 IonicContact NH2-OD1 3.17Å; R672-D675 PolarHBondContact NH2-OD1 2.89Å; R672-D675 IonicContact NH2-OD2 3.77Å; R672-D675 PolarHBondContact NH2-OD2 3.27Å; R672-D675 PolarHBondContact O-N 3.17Å; R672-L676 PolarHBondContact O-N 3.15Å; R672-L676 VanDerWaalsContact O-N 3.13Å
673	A	90.5	Very high	90.3	Very high	2 Å²	2	63.5 Å²	63.5	2%	0.017	34%	0.335	C	S	.	.	H	α-helix	trans	-60.7	-32.7	-179.2	0	0	0	0	0	112.5	Y657 A660 V661 E664 Q677	Y657-A673 HydrophobicContact CE2-CB 4.33Å; A660-A673 HydrophobicContact CB-CB 4.03Å; A660-A673 WeakPolarHBondContact CB-O 3.4Å; A660-A673 WeakPolarHBondContact O-CB 3.47Å; V661-A673 HydrophobicContact CB-CB 4.42Å; V661-A673 HydrophobicContact CG2-CB 3.65Å; E664-A673 HydrophobicContact CB-CB 4.22Å; E664-A673 WeakPolarHBondContact OE2-CB 3.32Å; E664-A673 PolarHBondContact OE2-N 2.89Å; A673-Q677 VanDerWaalsContact O-CB 3.28Å; A673-Q677 WeakPolarHBondContact O-CB 3.49Å; A673-Q677 PolarHBondContact O-N 3.09Å
674	C	90.5	Very high	90	Very high	39 Å²	39	62.6 Å²	62.6	26%	0.264	33%	0.331	S	S	.	.	H	α-helix	trans	-67	-47.7	176	52.2	0	0	0	0	113.1	Y345 R672 L676 Q677 E678	Y345-C674 HydrophobicContact CE1-CB 3.85Å; Y345-C674 WeakPolarHBondContact OH-CA 3.37Å; Y345-C674 WeakPolarHBondContact OH-CB 3.35Å; R672-C674 PolarHBondContact O-N 2.99Å; C674-L676 VanDerWaalsContact C-N 3.28Å; C674-L676 PolarHBondContact O-N 2.88Å; C674-Q677 PolarHBondContact O-N 2.61Å; C674-E678 WeakPolarHBondContact O-CB 3.47Å; C674-E678 PolarHBondContact O-N 3.35Å
675	D	91.5	Very high	89.3	Confident	52 Å²	52	62.9 Å²	62.9	28%	0.278	33%	0.333	S	S	.	.	H	α-helix	trans	-65.2	-36.1	-179.4	-54.7	-32.3	0	0	0	110.9	R672 R679	R672-D675 WeakPolarHBondContact CB-OD2 3.26Å; R672-D675 IonicContact CZ-OD1 2.75Å; R672-D675 IonicContact CZ-OD2 3.62Å; R672-D675 IonicContact NE-OD1 2.74Å; R672-D675 IonicContact NE-OD2 3.61Å; R672-D675 PolarHBondContact NE-OD2 3.07Å; R672-D675 IonicContact NH2-OD1 3.17Å; R672-D675 PolarHBondContact NH2-OD1 2.89Å; R672-D675 IonicContact NH2-OD2 3.77Å; R672-D675 PolarHBondContact NH2-OD2 3.27Å; R672-D675 PolarHBondContact O-N 3.17Å; D675-R679 VanDerWaalsContact O-CB 3.3Å; D675-R679 WeakPolarHBondContact O-CB 3.49Å; D675-R679 PolarHBondContact O-N 3.44Å
676	L	92	Very high	88.6	Confident	12 Å²	12	65.4 Å²	65.4	6%	0.063	33%	0.334	C	S	.	.	H	α-helix	trans	-67.1	-49.5	172.3	-72.8	174.1	0	0	0	112.3	V152 A660 I663 L671 R672 C674 E678 R679 I680	V152-L676 HydrophobicContact CG1-CD2 4.33Å; A660-L676 HydrophobicContact CB-CB 3.85Å; A660-L676 HydrophobicContact CB-CD1 4.29Å; I663-L676 HydrophobicContact CB-CD1 3.89Å; I663-L676 HydrophobicContact CD1-CD1 4.44Å; I663-L676 HydrophobicContact CG2-CD1 3.57Å; L671-L676 HydrophobicContact CB-CD1 3.98Å; L671-L676 HydrophobicContact CB-CG 4.31Å; L671-L676 HydrophobicContact CD1-CD2 4.41Å; R672-L676 PolarHBondContact O-N 3.15Å; R672-L676 VanDerWaalsContact O-N 3.13Å; C674-L676 VanDerWaalsContact C-N 3.28Å; C674-L676 PolarHBondContact O-N 2.88Å; L676-E678 VanDerWaalsContact C-N 3.32Å; L676-E678 PolarHBondContact O-N 3.28Å; L676-R679 PolarHBondContact O-N 3.06Å; L676-I680 WeakPolarHBondContact O-CB 3.35Å; L676-I680 VanDerWaalsContact O-CG1 3.26Å; L676-I680 WeakPolarHBondContact O-CG1 3.36Å; L676-I680 PolarHBondContact O-N 3.16Å
677	Q	91.5	Very high	87.6	Confident	13 Å²	13	67.2 Å²	67.2	6%	0.061	33%	0.332	C	S	.	.	H	α-helix	trans	-62.4	-40.5	179	-167.8	-161.9	25.8	0	0	111.1	Y345 Y653 I656 Y657 A673 C674 G681	Y345-Q677 PolarHBondContact OH-OE1 3.41Å; Y653-Q677 PolarHBondContact O-NE2 2.84Å; I656-Q677 HydrophobicContact CG2-CG 4.29Å; Y657-Q677 HydrophobicContact CD2-CB 4.48Å; Y657-Q677 HydrophobicContact CD2-CG 4.49Å; A673-Q677 VanDerWaalsContact O-CB 3.28Å; A673-Q677 WeakPolarHBondContact O-CB 3.49Å; A673-Q677 PolarHBondContact O-N 3.09Å; C674-Q677 PolarHBondContact O-N 2.61Å; Q677-G681 WeakPolarHBondContact O-CA 3.25Å; Q677-G681 PolarHBondContact O-N 3.37Å
678	E	89.5	Confident	86.4	Confident	122 Å²	122	70.3 Å²	70.3	57%	0.57	35%	0.346	S	S	*	.	H	α-helix	trans	-63.7	-50.4	175.4	-164.4	-164.8	149.2	0	0	110.4	C674 L676 I680 G681 Q682	C674-E678 WeakPolarHBondContact O-CB 3.47Å; C674-E678 PolarHBondContact O-N 3.35Å; L676-E678 VanDerWaalsContact C-N 3.32Å; L676-E678 PolarHBondContact O-N 3.28Å; E678-I680 PolarHBondContact O-N 2.96Å; E678-G681 CarbonylContact O-C 3.34Å; E678-G681 WeakPolarHBondContact O-CA 3.33Å; E678-G681 PolarHBondContact O-N 3.31Å; E678-G681 VanDerWaalsContact O-N 3.15Å; E678-Q682 VanDerWaalsContact O-CG 3.32Å; E678-Q682 WeakPolarHBondContact O-CG 3.3Å; E678-Q682 PolarHBondContact O-N 3.13Å; E678-Q682 PolarHBondContact OE1-NE2 3.43Å
679	R	90.9	Very high	84.8	Confident	112 Å²	112	66.3 Å²	66.3	42%	0.423	34%	0.335	S	S	.	.	H	α-helix	trans	-66.9	-38.5	-176.1	-173.8	59.2	-170.5	149.2	9.9	113	D675 L676 I683	D675-R679 VanDerWaalsContact O-CB 3.3Å; D675-R679 WeakPolarHBondContact O-CB 3.49Å; D675-R679 PolarHBondContact O-N 3.44Å; L676-R679 PolarHBondContact O-N 3.06Å; R679-I683 WeakPolarHBondContact O-CG1 3.37Å; R679-I683 PolarHBondContact O-N 3Å
680	I	91.8	Very high	84.8	Confident	58 Å²	58	67.9 Å²	67.9	30%	0.297	33%	0.333	S	S	.	.	H	α-helix	trans	-68.9	-38.5	173.2	-63.1	166.6	0	0	0	110	I656 L676 E678 I683 I684	I656-I680 HydrophobicContact CD1-CG2 3.9Å; I656-I680 HydrophobicContact CG1-CG2 4.22Å; I656-I680 HydrophobicContact CG2-CB 3.98Å; I656-I680 HydrophobicContact CG2-CD1 4.01Å; I656-I680 HydrophobicContact CG2-CG2 3.78Å; L676-I680 WeakPolarHBondContact O-CB 3.35Å; L676-I680 VanDerWaalsContact O-CG1 3.26Å; L676-I680 WeakPolarHBondContact O-CG1 3.36Å; L676-I680 PolarHBondContact O-N 3.16Å; E678-I680 PolarHBondContact O-N 2.96Å; I680-I683 PolarHBondContact O-N 3.44Å; I680-I684 HydrophobicContact CG2-CD1 3.73Å; I680-I684 HydrophobicContact CG2-CG1 4.37Å; I680-I684 WeakPolarHBondContact O-CB 3.33Å; I680-I684 WeakPolarHBondContact O-CG1 3.35Å; I680-I684 PolarHBondContact O-N 3.01Å
681	G	87.3	Confident	84.7	Confident	6 Å²	6	68.6 Å²	68.6	6%	0.062	33%	0.327	C	S	.	.	H	α-helix	trans	-60.3	-42.8	174.1	0	0	0	0	0	113.1	Y653 Q677 E678 I684 D685	Y653-G681 PolarHBondContact OH-O 3.28Å; Q677-G681 WeakPolarHBondContact O-CA 3.25Å; Q677-G681 PolarHBondContact O-N 3.37Å; E678-G681 CarbonylContact O-C 3.34Å; E678-G681 WeakPolarHBondContact O-CA 3.33Å; E678-G681 PolarHBondContact O-N 3.31Å; E678-G681 VanDerWaalsContact O-N 3.15Å; G681-I684 PolarHBondContact O-N 3.11Å; G681-D685 PolarHBondContact O-N 3.41Å
682	Q	86.9	Confident	84.5	Confident	78 Å²	78	71 Å²	71	36%	0.364	34%	0.338	S	S	.	.	H	α-helix	trans	-59	-45.6	173.7	-71.8	170.1	9.1	0	0	111.5	E678 D685 E686	E678-Q682 VanDerWaalsContact O-CG 3.32Å; E678-Q682 WeakPolarHBondContact O-CG 3.3Å; E678-Q682 PolarHBondContact O-N 3.13Å; E678-Q682 PolarHBondContact OE1-NE2 3.43Å; Q682-D685 PolarHBondContact O-N 3.18Å; Q682-E686 VanDerWaalsContact O-CB 3.3Å; Q682-E686 WeakPolarHBondContact O-CB 3.27Å; Q682-E686 PolarHBondContact O-N 3.35Å
683	I	88.4	Confident	84.1	Confident	70 Å²	70	67.4 Å²	67.4	36%	0.359	33%	0.329	S	S	.	.	H	α-helix	trans	-66.3	-40.1	177.9	-65	163.3	0	0	0	110.9	R679 I680 E686 Y687	R679-I683 WeakPolarHBondContact O-CG1 3.37Å; R679-I683 PolarHBondContact O-N 3Å; I680-I683 PolarHBondContact O-N 3.44Å; I683-E686 PolarHBondContact O-N 2.85Å; I683-Y687 HydrophobicContact CG2-CD2 4.12Å; I683-Y687 HydrophobicContact CG2-CE2 4.34Å; I683-Y687 WeakPolarHBondContact O-CD2 3.45Å; I683-Y687 PolarHBondContact O-N 3.19Å
684	I	85.1	Confident	83.7	Confident	31 Å²	31	71.5 Å²	71.5	16%	0.159	35%	0.348	C	S	.	.	H	α-helix	trans	-69.4	-35.3	178.3	-73	171.3	0	0	0	111.9	L652 Y653 I656 I680 G681 L688	L652-I684 HydrophobicContact CD2-CD1 4.16Å; L652-I684 HydrophobicContact CD2-CG2 4.13Å; L652-I684 HydrophobicContact CG-CD1 4.3Å; Y653-I684 HydrophobicContact CE2-CG2 3.93Å; I656-I684 HydrophobicContact CD1-CD1 3.19Å; I680-I684 HydrophobicContact CG2-CD1 3.73Å; I680-I684 HydrophobicContact CG2-CG1 4.37Å; I680-I684 WeakPolarHBondContact O-CB 3.33Å; I680-I684 WeakPolarHBondContact O-CG1 3.35Å; I680-I684 PolarHBondContact O-N 3.01Å; G681-I684 PolarHBondContact O-N 3.11Å; I684-L688 HydrophobicContact CG2-CD1 3.76Å; I684-L688 WeakPolarHBondContact O-CB 3.44Å; I684-L688 WeakPolarHBondContact O-CG 3.3Å; I684-L688 PolarHBondContact O-N 3.49Å
685	D	79.4	Confident	83.2	Confident	41 Å²	41	73.7 Å²	73.7	22%	0.219	35%	0.354	C	S	.	.	H	α-helix	trans	-67	-51.6	168.1	-87.6	-45.2	0	0	0	110.1	R649 Y653 G681 Q682 Y687 L688 T689	R649-D685 IonicContact CZ-OD1 3.23Å; R649-D685 IonicContact CZ-OD2 3.57Å; R649-D685 IonicContact NH1-OD1 3.41Å; R649-D685 PolarHBondContact NH1-OD1 2.87Å; R649-D685 IonicContact NH1-OD2 2.64Å; R649-D685 IonicContact NH2-OD1 2.75Å; R649-D685 PolarHBondContact NH2-OD1 3.38Å; R649-D685 IonicContact NH2-OD2 2.71Å; R649-D685 PolarHBondContact NH2-OD2 3.22Å; Y653-D685 PolarHBondContact OH-OD2 3.24Å; Y653-D685 VanDerWaalsContact OH-OD2 3.08Å; G681-D685 PolarHBondContact O-N 3.41Å; Q682-D685 PolarHBondContact O-N 3.18Å; D685-Y687 PolarHBondContact O-N 3.33Å; D685-Y687 VanDerWaalsContact O-N 3.08Å; D685-L688 CarbonylContact O-C 3.56Å; D685-L688 PolarHBondContact O-N 3.42Å; D685-T689 HydrophobicContact CB-CG2 3.95Å; D685-T689 VanDerWaalsContact O-CB 3.32Å; D685-T689 WeakPolarHBondContact O-CB 3.4Å; D685-T689 WeakPolarHBondContact O-CG2 3.48Å; D685-T689 PolarHBondContact O-N 3.33Å; D685-T689 PolarHBondContact O-OG1 3.09Å
686	E	78.2	Confident	82.6	Confident	120 Å²	120	75.2 Å²	75.2	56%	0.561	36%	0.359	S	S	*	.	H	α-helix	trans	-48.5	-40.6	178.9	-177.7	177.1	-175.4	0	0	113.9	Q682 I683	Q682-E686 VanDerWaalsContact O-CB 3.3Å; Q682-E686 WeakPolarHBondContact O-CB 3.27Å; Q682-E686 PolarHBondContact O-N 3.35Å; I683-E686 PolarHBondContact O-N 2.85Å
687	Y	71.8	Confident	81.9	Confident	185 Å²	185	80.1 Å²	80.1	73%	0.725	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-3.9	179.4	-76.1	-106.4	0	0	0	114.9	I683 D685	I683-Y687 HydrophobicContact CG2-CD2 4.12Å; I683-Y687 HydrophobicContact CG2-CE2 4.34Å; I683-Y687 WeakPolarHBondContact O-CD2 3.45Å; I683-Y687 PolarHBondContact O-N 3.19Å; D685-Y687 PolarHBondContact O-N 3.33Å; D685-Y687 VanDerWaalsContact O-N 3.08Å
688	L	67.8	Low	81.1	Confident	105 Å²	105	85.7 Å²	85.7	55%	0.55	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	0.7	176.8	-57.6	178.5	0	0	0	114.3	K644 I684 D685	K644-L688 VanDerWaalsContact CD-O 3.26Å; K644-L688 WeakPolarHBondContact CD-O 3.29Å; K644-L688 WeakPolarHBondContact CE-O 3.35Å; K644-L688 PolarHBondContact NZ-O 2.97Å; I684-L688 HydrophobicContact CG2-CD1 3.76Å; I684-L688 WeakPolarHBondContact O-CB 3.44Å; I684-L688 WeakPolarHBondContact O-CG 3.3Å; I684-L688 PolarHBondContact O-N 3.49Å; D685-L688 CarbonylContact O-C 3.56Å; D685-L688 PolarHBondContact O-N 3.42Å
689	T	56.3	Low	80.4	Confident	100 Å²	100	82.4 Å²	82.4	61%	0.613	39%	0.394	S	S	*	.			trans	-88	0	177.3	50.2	0	0	0	0	114.1	N607 K644 D685	N607-T689 PolarHBondContact ND2-O 3.44Å; N607-T689 PolarHBondContact ND2-OXT 3.13Å; N607-T689 PolarHBondContact OD1-O 2.89Å; K644-T689 PolarHBondContact NZ-O 3.23Å; D685-T689 HydrophobicContact CB-CG2 3.95Å; D685-T689 VanDerWaalsContact O-CB 3.32Å; D685-T689 WeakPolarHBondContact O-CB 3.4Å; D685-T689 WeakPolarHBondContact O-CG2 3.48Å; D685-T689 PolarHBondContact O-N 3.33Å; D685-T689 PolarHBondContact O-OG1 3.09Å

Retrieved 689 of 689 residues in 326.8 ms (Link to these results)

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