A0A077Z303_TRITR Loading...

Homeobox protein prospero

AlphaFold DB , UniProt , Accession A0A077Z303, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 868 aa.

						>A0A077Z303_TRITR|A0A077Z303
MSVSFGSTVNSQQHLYSVNCSPSDPSNAQLSSLTSSAATFHRSSPQAPVRMLSTLSIDPNAADRTKTKLKRCRQRVDAGEPRNTYSSIFCYSVSDGKPAAPYCMDALNLEPTLKKEALPFATSSDGLTSQSLAAATAAANAGMSPVSLKGIVKTKTLPQSNNDDNSQQGLKKGDTETDCLTEERNGFLLTQDGCSSFGVASSATSSTGDASDDAFSPRGSRAEPTNELHQQRQKKARVENIISYIHSSSPCVMPSSSGCSPDRMQTSPVLSDASGQQMATEGAASEVTRSRRKRYQPKQLEVSEEEVNDNLEQLANLSNVSDGGDNDNMEMEDDEDGDENDDDDEEDDEEDDGDEAEVLQATSCIPNGDEQQLKQMQKDLFLLQRRYIETLQEHQKRTALMLRPAETPPAKADAPKSSNADSQQPERRDETSSDRNKPAVTLPPDILLSGKELLAATEALKADIIASFTNCVEKSLQKYYQALRVAAAEAAYRALPAKQCQTSVGKPLSFVGMNPLASDPRANCPGMILGDSMPPMRSFYCSPFGYTTALAAAGASAPFGMGSQLGIYFSRGAANSAAIGGEQAAPPGTIFPGQAPQGCFSFHPAAVGLTDLGSLKSAGAAASLGDQSPFASSSLMPRKRRNKVTDTRVNRVNSIRPDETHPMGYLPSMVAPGCACGIDDTDLEPISPDNCGGVDADGSAIGYDSAQSQNTTLTPMHLRKAKLMFFYTRYPSSVLLKAYFPDIRFNKNNTAQLVKWFSNFREFYYIQMEKYARQAIAEGVRSSDDLRVTTDSELYKVLNLHYNRNNHVMAPVSFRRVVEATLHEFFNAIHSGRDMEPSWKKSIYKVIARMDDPIPEYFKTPNFLETLE
					

Structure Viewer

Loading PAE data...

(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	47.4	Very low	35.9	Very low	252 Å²	252	140.6 Å²	140.6	100%	1.241	84%	0.844	S	S	*	*				0	141.3	0	-71.8	171.1	171.3	0	0	107.8
2	S	29.5	Very low	35.9	Very low	115 Å²	115	141.4 Å²	141.4	80%	0.804	83%	0.832	S	S	*	*			trans	-107.3	142.9	-172.7	-48	0	0	0	0	111.3
3	V	39.1	Very low	35.8	Very low	150 Å²	150	141.8 Å²	141.8	91%	0.909	82%	0.82	S	S	*	*			trans	-154.3	114.3	143.7	-100.8	0	0	0	0	108.9
4	S	34.6	Very low	35.9	Very low	106 Å²	106	143.4 Å²	143.4	74%	0.741	82%	0.816	S	S	*	*			trans	-110.4	148	166.1	-52.8	0	0	0	0	107.9
5	F	37.8	Very low	35.8	Very low	224 Å²	224	142 Å²	142	98%	0.982	81%	0.805	S	S	*	*			trans	-174.2	155.3	148.6	-86.9	-56.8	0	0	0	108.8
6	G	34.7	Very low	36	Very low	64 Å²	64	147.9 Å²	147.9	66%	0.66	81%	0.812	S	S	*	*			cis	158.9	60.3	-2.8	0	0	0	0	0	115.9
7	S	32.2	Very low	35.9	Very low	103 Å²	103	144.4 Å²	144.4	72%	0.72	80%	0.801	S	S	*	*			trans	33.8	137.3	156.5	-162.1	0	0	0	0	122.7
8	T	32.4	Very low	36.4	Very low	125 Å²	125	144.4 Å²	144.4	77%	0.767	81%	0.805	S	S	*	*			trans	61.1	117.8	147.8	38	0	0	0	0	121.5
9	V	40.5	Very low	36.5	Very low	155 Å²	155	144.2 Å²	144.2	94%	0.939	80%	0.802	S	S	*	*			trans	-142.3	158.3	130.3	-167.1	0	0	0	0	108.6
10	N	30.9	Very low	36.5	Very low	153 Å²	153	143.8 Å²	143.8	82%	0.818	81%	0.808	S	S	*	*			trans	-133.8	117.4	-177.3	169.1	27.8	0	0	0	110.5
11	S	36.4	Very low	36.6	Very low	100 Å²	100	142.5 Å²	142.5	70%	0.699	81%	0.809	S	S	*	*			trans	-167.7	127.1	160.9	-143.5	0	0	0	0	116.5
12	Q	35.7	Very low	36.6	Very low	150 Å²	150	136.4 Å²	136.4	70%	0.701	79%	0.787	S	S	*	*			trans	48.7	128.9	132.7	-67	-169.3	2.9	0	0	124.9
13	Q	34.8	Very low	37.3	Very low	146 Å²	146	136.6 Å²	136.6	68%	0.682	79%	0.789	S	S	*	*			trans	63.9	116.9	138.5	-58.7	177.9	60.7	0	0	118.4
14	H	36.5	Very low	37.3	Very low	164 Å²	164	137 Å²	137	76%	0.759	79%	0.786	S	S	*	*				-158.4	152.9	75.5	-128.3	-101.7	0	0	0	116
15	L	35.3	Very low	37.9	Very low	123 Å²	123	137.5 Å²	137.5	64%	0.644	79%	0.787	S	S	*	*			trans	-42.7	147.8	175.3	-66.1	146.8	0	0	0	118.3
16	Y	38	Very low	38	Very low	236 Å²	236	131.9 Å²	131.9	93%	0.925	78%	0.775	S	S	*	*				-158.1	142.8	112.3	-106.5	-72	0	0	0	111.3
17	S	35.5	Very low	38.1	Very low	88 Å²	88	136.9 Å²	136.9	62%	0.615	79%	0.787	S	S	*	*			trans	-127.9	148.6	-174.6	-52.9	0	0	0	0	112.4
18	V	44.3	Very low	38.4	Very low	146 Å²	146	136.5 Å²	136.5	89%	0.885	79%	0.79	S	S	*	*			trans	-138.9	132.8	148.8	-175.9	0	0	0	0	108.4
19	N	37.5	Very low	38.7	Very low	140 Å²	140	138.6 Å²	138.6	75%	0.749	79%	0.791	S	S	*	*			trans	-99	159.8	178.4	-65.5	-34.3	0	0	0	111.3
20	C	37.8	Very low	38.5	Very low	136 Å²	136	137.7 Å²	137.7	92%	0.919	78%	0.78	S	S	*	*				-167.3	162.4	118.2	-106.6	0	0	0	0	112.3
21	S	38.9	Very low	38.7	Very low	117 Å²	117	134.9 Å²	134.9	82%	0.818	77%	0.773	S	S	*	*			trans	-123.3	167.4	-161.3	-80.5	0	0	0	0	114.3
22	P	47.5	Very low	38.6	Very low	123 Å²	123	134.7 Å²	134.7	80%	0.799	77%	0.772	S	S	*	*			trans	-105.4	172.2	-165.1	41	-36.8	0	0	0	115.5
23	S	43.2	Very low	38.7	Very low	119 Å²	119	134.9 Å²	134.9	83%	0.832	78%	0.777	S	S	*	*			trans	-163.2	130.7	160.2	39.2	0	0	0	0	113.9
24	D	38.4	Very low	38.9	Very low	159 Å²	159	133.4 Å²	133.4	85%	0.85	78%	0.777	S	S	*	*			trans	-87	165.8	161.6	-62.3	-66.7	0	0	0	110.5
25	P	47.6	Very low	39	Very low	117 Å²	117	130.4 Å²	130.4	76%	0.76	78%	0.775	S	S	*	*				-156.8	164.4	91.8	40.9	-21.5	0	0	0	119
26	S	41.2	Very low	39.2	Very low	106 Å²	106	129.9 Å²	129.9	74%	0.741	78%	0.781	S	S	*	*			trans	59.5	103.6	141.4	63.6	0	0	0	0	123.6
27	N	35.5	Very low	39.3	Very low	169 Å²	169	123.5 Å²	123.5	90%	0.904	78%	0.778	S	S	*	*				33.3	109.6	116.7	-124.9	-5.2	0	0	0	121.6
28	A	39.6	Very low	39.4	Very low	95 Å²	95	123.4 Å²	123.4	79%	0.785	78%	0.782	S	S	*	*			trans	-162	109.9	148.6	0	0	0	0	0	109.4
29	Q	38	Very low	39.2	Very low	168 Å²	168	121 Å²	121	79%	0.785	77%	0.768	S	S	*	*				64.4	118.6	95.4	-80.9	-146.2	-17	0	0	119.1
30	L	36.3	Very low	39.3	Very low	136 Å²	136	123 Å²	123	71%	0.712	77%	0.77	S	S	*	*			trans	73.9	114.4	135.7	-64.3	176.8	0	0	0	122.6
31	S	35	Very low	39.5	Very low	95 Å²	95	123.1 Å²	123.1	66%	0.664	76%	0.757	S	S	*	*				68.5	105.1	126.8	69.9	0	0	0	0	122.6
32	S	34.3	Very low	39.4	Very low	96 Å²	96	128.1 Å²	128.1	67%	0.671	76%	0.758	S	S	*	*				86.4	152.1	112.5	75.5	0	0	0	0	121.8
33	L	37.3	Very low	39	Very low	154 Å²	154	126.5 Å²	126.5	81%	0.806	75%	0.75	S	S	*	*			trans	70.7	145.7	166.4	-47.2	-179.9	0	0	0	115.6
34	T	38.8	Very low	38.8	Very low	114 Å²	114	126.1 Å²	126.1	70%	0.699	75%	0.747	S	S	*	*			cis	-159.8	156.5	-15.7	12.3	0	0	0	0	110
35	S	38.8	Very low	38.8	Very low	101 Å²	101	124.2 Å²	124.2	71%	0.706	74%	0.743	S	S	*	*			trans	36.2	136.6	143.3	-47.8	0	0	0	0	120.5
36	S	39	Very low	38.3	Very low	112 Å²	112	128.2 Å²	128.2	78%	0.783	75%	0.752	S	S	*	*				-172.1	147.8	62.4	-61.9	0	0	0	0	115.2
37	A	40	Very low	38.1	Very low	103 Å²	103	127.5 Å²	127.5	85%	0.851	75%	0.753	S	S	*	*			trans	64.8	152.1	152.3	0	0	0	0	0	118.9
38	A	38.9	Very low	38.3	Very low	85 Å²	85	125.5 Å²	125.5	70%	0.702	75%	0.749	S	S	*	*			cis	-143.1	151.7	6.1	0	0	0	0	0	113.7
39	T	39.8	Very low	38.3	Very low	97 Å²	97	128 Å²	128	60%	0.595	75%	0.754	S	S	*	*			trans	13.5	139.3	145.9	-3.7	0	0	0	0	119.8
40	F	39.3	Very low	38.1	Very low	181 Å²	181	131 Å²	131	79%	0.794	76%	0.758	S	S	*	*			cis	-146.8	139.5	38.6	-93.4	-91.9	0	0	0	117.4
41	H	41.6	Very low	38.1	Very low	139 Å²	139	132.4 Å²	132.4	64%	0.644	76%	0.763	S	S	*	*			trans	32.4	131.9	133.5	-69.2	-114.8	0	0	0	123.1
42	R	37.6	Very low	38	Very low	222 Å²	222	134 Å²	134	84%	0.838	76%	0.763	S	S	*	*				78.8	140.6	65.6	-122.7	-170.1	-176.2	-140.3	7.8	112.9
43	S	39.6	Very low	38.1	Very low	88 Å²	88	134.6 Å²	134.6	62%	0.615	77%	0.768	S	S	*	*			cis	-156	144.3	17.6	-39.7	0	0	0	0	114.8
44	S	37.2	Very low	37.8	Very low	111 Å²	111	132.3 Å²	132.3	78%	0.776	76%	0.76	S	S	*	*				40.1	131.8	126.3	-156.7	0	0	0	0	123.5
45	P	39.3	Very low	37.7	Very low	120 Å²	120	135.5 Å²	135.5	78%	0.779	77%	0.772	S	S	*	*			trans	-92.3	179	169.5	39	-36.1	0	0	0	114.3
46	Q	37.5	Very low	37.4	Very low	201 Å²	201	135.8 Å²	135.8	94%	0.939	77%	0.774	S	S	*	*			trans	-139	-178.2	171.5	-131	179.8	20.5	0	0	113.3
47	A	37.6	Very low	37.4	Very low	91 Å²	91	138.4 Å²	138.4	75%	0.752	78%	0.778	S	S	*	*			trans	-95.4	167.6	-154.8	0	0	0	0	0	115.9
48	P	39.2	Very low	36.9	Very low	127 Å²	127	140.6 Å²	140.6	83%	0.825	78%	0.775	S	S	*	*			trans	-97.1	165.8	-164.5	38.4	-36.3	0	0	0	115.6
49	V	38.6	Very low	37.1	Very low	148 Å²	148	142.3 Å²	142.3	90%	0.897	78%	0.779	S	S	*	*			trans	-130.8	154.3	171.3	-171.1	0	0	0	0	110.2
50	R	34.5	Very low	36.9	Very low	229 Å²	229	144.8 Å²	144.8	86%	0.864	79%	0.789	S	S	*	*			trans	-89.4	161.3	-177.3	-58.2	168.2	173.2	162.8	-4.8	111.8
51	M	35.6	Very low	36.8	Very low	167 Å²	167	140.7 Å²	140.7	82%	0.823	79%	0.788	S	S	*	*				-174.2	144	119.8	-93.9	-43.1	-156.6	0	0	113.7
52	L	33.9	Very low	36.6	Very low	127 Å²	127	138.6 Å²	138.6	67%	0.665	80%	0.795	S	S	*	*			trans	-6.6	150.1	154.8	-57.4	163.5	0	0	0	118.8	T54	L52-T54 HydrophobicContact CD2-CG2 4.05Å
53	S	36.4	Very low	36.6	Very low	110 Å²	110	134.1 Å²	134.1	77%	0.769	79%	0.787	S	S	*	*			cis	-155.4	145.9	46.6	-53.5	0	0	0	0	110.2
54	T	31.2	Very low	36.6	Very low	105 Å²	105	139.8 Å²	139.8	64%	0.644	80%	0.795	S	S	*	*			cis	73.7	90.8	42.1	68.4	0	0	0	0	116.7	L52	L52-T54 HydrophobicContact CD2-CG2 4.05Å
55	L	36.5	Very low	36.8	Very low	182 Å²	182	141.2 Å²	141.2	95%	0.953	80%	0.8	S	S	*	*			trans	-142.7	127.6	142.6	-80	-174.6	0	0	0	109.7
56	S	32.7	Very low	36.8	Very low	107 Å²	107	145.4 Å²	145.4	75%	0.748	81%	0.805	S	S	*	*			trans	-110.5	165.5	175.1	-49.7	0	0	0	0	109.9
57	I	37.8	Very low	37.1	Very low	167 Å²	167	142.2 Å²	142.2	86%	0.856	80%	0.8	S	S	*	*				167.3	129	126	-86.3	156.9	0	0	0	111
58	D	30.8	Very low	37.2	Very low	148 Å²	148	147.6 Å²	147.6	79%	0.791	81%	0.807	S	S	*	*			trans	-94.3	-166.9	169.8	-55.2	-87.9	0	0	0	110.9
59	P	42.9	Very low	37.4	Very low	121 Å²	121	149.7 Å²	149.7	79%	0.786	81%	0.81	S	S	*	*			cis	-132.8	-164.5	-23	22.1	3.3	0	0	0	112.9
60	N	34.9	Very low	37.6	Very low	150 Å²	150	152.5 Å²	152.5	80%	0.802	81%	0.81	S	S	*	*				108.7	76	129.2	-159.9	27.4	0	0	0	121.4
61	A	36.9	Very low	37.7	Very low	95 Å²	95	152.7 Å²	152.7	79%	0.785	81%	0.811	S	S	*	*			trans	-163.3	123	140.3	0	0	0	0	0	107.8
62	A	37.8	Very low	37.8	Very low	95 Å²	95	150.3 Å²	150.3	79%	0.785	81%	0.809	S	S	*	*			cis	65.5	96.1	46.8	0	0	0	0	0	111.7
63	D	38.1	Very low	38.1	Very low	127 Å²	127	155.3 Å²	155.3	68%	0.679	82%	0.819	S	S	*	*				-173	173.4	58.1	-176.8	14.9	0	0	0	110.4
64	R	39.2	Very low	38.4	Very low	207 Å²	207	158.5 Å²	158.5	78%	0.781	82%	0.822	S	S	*	*			trans	62.5	92	162.8	-41.5	-167.9	-177.2	-175.7	0.7	120.1
65	T	40.5	Very low	38.7	Very low	141 Å²	141	164.1 Å²	164.1	87%	0.865	83%	0.831	S	S	*	*				-160.2	154.7	118.7	14.1	0	0	0	0	111.2	T67	T65-T67 PolarHBondContact O-N 3.09Å
66	K	40.3	Very low	38.9	Very low	208 Å²	208	161.3 Å²	161.3	90%	0.904	82%	0.821	S	S	*	*			trans	-91.4	89	-161.3	-66.4	172.8	-177.5	169.4	0	113.5	K68	K66-K68 PolarHBondContact O-N 3.49Å
67	T	43.5	Very low	39.5	Very low	134 Å²	134	163.3 Å²	163.3	82%	0.822	82%	0.824	S	S	*	*			trans	-66.8	116.8	167.9	36.6	0	0	0	0	111.5	T65 L69	T65-T67 PolarHBondContact O-N 3.09Å; T67-L69 PolarHBondContact O-N 3.01Å
68	K	39.5	Very low	39.7	Very low	205 Å²	205	159.5 Å²	159.5	89%	0.891	82%	0.817	S	S	*	*			trans	-73.5	94.6	173.2	-85.9	179.8	176.4	169.2	0	110.5	K66 K70	K66-K68 PolarHBondContact O-N 3.49Å; K68-K70 PolarHBondContact O-N 3.3Å
69	L	43.7	Very low	39.9	Very low	171 Å²	171	155.6 Å²	155.6	90%	0.895	81%	0.812	S	S	*	*			trans	-52.9	110.8	166.5	-84.5	165.2	0	0	0	110.3	T67 R71	T67-L69 PolarHBondContact O-N 3.01Å; L69-R71 PolarHBondContact O-N 3.18Å
70	K	43.3	Very low	40	Very low	206 Å²	206	158.1 Å²	158.1	90%	0.896	81%	0.813	S	S	*	*			trans	-78.4	84.4	-176.1	-158.6	174	-171.1	176.4	0	108.9	K68 C72	K68-K70 PolarHBondContact O-N 3.3Å; K70-C72 PolarHBondContact O-N 2.95Å; K70-C72 VanDerWaalsContact O-N 3.11Å
71	R	36.6	Very low	40.5	Very low	234 Å²	234	157 Å²	157	88%	0.883	82%	0.815	S	S	*	*			trans	-42.6	119.5	178.7	177.3	-179.9	-74.1	171.7	-3.8	109.8	L69 R73	L69-R71 PolarHBondContact O-N 3.18Å; R71-R73 PolarHBondContact O-N 3.48Å; R71-R73 VanDerWaalsContact O-N 3.08Å
72	C	38.3	Very low	41.1	Very low	117 Å²	117	162.8 Å²	162.8	79%	0.791	82%	0.816	S	S	*	*			trans	-57.7	116.9	176.8	-170.5	0	0	0	0	108.6	K70 Q74	K70-C72 PolarHBondContact O-N 2.95Å; K70-C72 VanDerWaalsContact O-N 3.11Å; C72-Q74 PolarHBondContact O-N 3.21Å
73	R	39.3	Very low	41.3	Very low	232 Å²	232	162.4 Å²	162.4	88%	0.875	80%	0.801	S	S	*	*			trans	-74.5	108.7	170.7	-89.1	-175	165.3	-176.5	-5.7	107.3	R71 R75	R71-R73 PolarHBondContact O-N 3.48Å; R71-R73 VanDerWaalsContact O-N 3.08Å; R73-R75 PolarHBondContact O-N 2.89Å
74	Q	41.7	Very low	41.5	Very low	176 Å²	176	161.3 Å²	161.3	82%	0.822	80%	0.799	S	S	*	*			trans	-50.3	131.9	164.4	-173.8	168.3	0.8	0	0	108.6	C72 V76	C72-Q74 PolarHBondContact O-N 3.21Å; Q74-V76 VanDerWaalsContact C-N 3.27Å; Q74-V76 PolarHBondContact O-N 3.35Å
75	R	38	Very low	41.5	Very low	224 Å²	224	159.1 Å²	159.1	85%	0.845	79%	0.791	S	S	*	*			trans	-71.4	89	175.6	-68.7	175.1	69.4	165.5	0.9	107.9	R73 D77	R73-R75 PolarHBondContact O-N 2.89Å; R75-D77 PolarHBondContact O-N 3.47Å
76	V	41.9	Very low	41.6	Very low	123 Å²	123	157.6 Å²	157.6	75%	0.745	79%	0.787	S	S	*	*			trans	-64.2	124.3	154.1	-175.3	0	0	0	0	105.3	Q74 A78	Q74-V76 VanDerWaalsContact C-N 3.27Å; Q74-V76 PolarHBondContact O-N 3.35Å; V76-A78 PolarHBondContact O-N 3.03Å
77	D	45.2	Very low	41.8	Very low	148 Å²	148	152 Å²	152	79%	0.791	77%	0.774	S	S	*	*			trans	-71.1	79.1	169.9	-89.6	-43.8	0	0	0	109	R75 G79	R75-D77 PolarHBondContact O-N 3.47Å; D77-G79 PolarHBondContact O-N 3.11Å
78	A	40.9	Very low	41.7	Very low	88 Å²	88	149.7 Å²	149.7	73%	0.727	76%	0.756	S	S	*	*			trans	-64.9	93.9	158.1	0	0	0	0	0	106.3	V76 E80	V76-A78 PolarHBondContact O-N 3.03Å; A78-E80 PolarHBondContact O-N 3.03Å
79	G	35.5	Very low	41.7	Very low	66 Å²	66	148.6 Å²	148.6	68%	0.68	75%	0.751	S	S	*	*			trans	-46.9	130.9	-177.1	0	0	0	0	0	110.9	D77	D77-G79 PolarHBondContact O-N 3.11Å
80	E	45	Very low	41.3	Very low	173 Å²	173	145.8 Å²	145.8	81%	0.808	74%	0.744	S	S	*	*			trans	-49.7	133.7	177.6	-172.1	171.3	-125	0	0	109.2	A78 R82	A78-E80 PolarHBondContact O-N 3.03Å; E80-R82 PolarHBondContact O-N 2.96Å
81	P	46.1	Very low	40.7	Very low	128 Å²	128	145.6 Å²	145.6	83%	0.831	74%	0.74	S	S	*	*			trans	-69	79.5	179.7	28.4	-34.6	0	0	0	109.5	N83	P81-N83 PolarHBondContact O-N 3.08Å
82	R	48.2	Very low	40.8	Very low	215 Å²	215	139.3 Å²	139.3	81%	0.811	73%	0.731	S	S	*	*			trans	-69.4	101.7	-172.6	-166.1	175.1	-168.9	165.8	3.4	108.1	E80 T84	E80-R82 PolarHBondContact O-N 2.96Å; R82-T84 PolarHBondContact O-N 3.21Å; R82-T84 VanDerWaalsContact O-N 3.09Å
83	N	42.4	Very low	40.9	Very low	88 Å²	88	140.1 Å²	140.1	47%	0.471	73%	0.733	S	S	.	*			trans	-48.8	114.6	-174	-176.6	-10.1	0	0	0	111.3	P81 Y85 S86	P81-N83 PolarHBondContact O-N 3.08Å; N83-Y85 PolarHBondContact O-N 2.98Å; N83-Y85 PolarHBondContact OD1-N 3.17Å; N83-S86 PolarHBondContact O-N 3.13Å
84	T	43.3	Very low	40.6	Very low	103 Å²	103	134.3 Å²	134.3	63%	0.632	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-64.7	-6	-172	-32.3	0	0	0	0	113.8	R82 S86	R82-T84 PolarHBondContact O-N 3.21Å; R82-T84 VanDerWaalsContact O-N 3.09Å; T84-S86 PolarHBondContact O-N 3.28Å
85	Y	37.7	Very low	40.6	Very low	161 Å²	161	133.4 Å²	133.4	63%	0.631	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-63.3	-19.5	169.9	-92.4	-87.9	0	0	0	114.5	N83 S87	N83-Y85 PolarHBondContact O-N 2.98Å; N83-Y85 PolarHBondContact OD1-N 3.17Å; Y85-S87 PolarHBondContact O-N 2.8Å; Y85-S87 VanDerWaalsContact O-N 3.12Å
86	S	44	Very low	40.5	Very low	109 Å²	109	125.9 Å²	125.9	76%	0.762	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-69.5	-2.4	-178.5	-62.9	0	0	0	0	115.8	N83 T84	N83-S86 PolarHBondContact O-N 3.13Å; T84-S86 PolarHBondContact O-N 3.28Å
87	S	43.5	Very low	40.4	Very low	92 Å²	92	129.9 Å²	129.9	64%	0.643	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-127.1	12.9	-177.6	63.4	0	0	0	0	115.1	Y85	Y85-S87 PolarHBondContact O-N 2.8Å; Y85-S87 VanDerWaalsContact O-N 3.12Å
88	I	42.6	Very low	39.9	Very low	85 Å²	85	129 Å²	129	44%	0.436	73%	0.73	S	S	.	*	S	Bend	trans	-100.4	-12.7	-172.4	-64.6	177.1	0	0	0	112.9	C90	I88-C90 PolarHBondContact O-N 2.96Å
89	F	38.9	Very low	39.7	Very low	181 Å²	181	129.6 Å²	129.6	79%	0.794	74%	0.736	S	S	*	*			trans	-102.2	56.1	179.6	-68.6	-75.7	0	0	0	113.3
90	C	34.2	Very low	39.9	Very low	112 Å²	112	130.9 Å²	130.9	76%	0.757	74%	0.739	S	S	*	*			trans	-134.9	41	170.7	-74.4	0	0	0	0	112.4	I88 S92	I88-C90 PolarHBondContact O-N 2.96Å; C90-S92 PolarHBondContact O-N 3.32Å
91	Y	32.5	Very low	39.6	Very low	203 Å²	203	128.7 Å²	128.7	80%	0.796	74%	0.74	S	S	*	*			trans	-85.8	83.9	163.7	-77.3	-79.3	0	0	0	109.8	V93	Y91-V93 PolarHBondContact O-N 3.27Å
92	S	37.6	Very low	39.1	Very low	101 Å²	101	132.5 Å²	132.5	71%	0.706	74%	0.74	S	S	*	*			trans	-62.8	127.5	170.5	-56.6	0	0	0	0	110.2	C90 S94	C90-S92 PolarHBondContact O-N 3.32Å; S92-S94 VanDerWaalsContact C-N 3.33Å; S92-S94 PolarHBondContact O-N 3.32Å
93	V	39.6	Very low	38.2	Very low	135 Å²	135	127 Å²	127	82%	0.818	73%	0.733	S	S	*	*			trans	-69.7	94.4	164.6	177.9	0	0	0	0	107.3	Y91 D95	Y91-V93 PolarHBondContact O-N 3.27Å; V93-D95 PolarHBondContact O-N 3.21Å; V93-D95 VanDerWaalsContact O-N 3.14Å
94	S	34.5	Very low	38	Very low	109 Å²	109	130.6 Å²	130.6	76%	0.762	75%	0.749	S	S	*	*			trans	-89.7	68.3	-167.2	63.6	0	0	0	0	113	S92 G96	S92-S94 VanDerWaalsContact C-N 3.33Å; S92-S94 PolarHBondContact O-N 3.32Å; S94-G96 PolarHBondContact O-N 2.82Å
95	D	41.8	Very low	37.7	Very low	157 Å²	157	132.9 Å²	132.9	84%	0.84	76%	0.757	S	S	*	*			trans	-89.1	88.4	169	-92.4	-46.9	0	0	0	111.8	V93	V93-D95 PolarHBondContact O-N 3.21Å; V93-D95 VanDerWaalsContact O-N 3.14Å
96	G	35.3	Very low	37.5	Very low	67 Å²	67	129.6 Å²	129.6	69%	0.691	76%	0.763	S	S	*	*	S	Bend	trans	71.8	55.9	135.3	0	0	0	0	0	121.1	S94	S94-G96 PolarHBondContact O-N 2.82Å
97	K	39.4	Very low	37.2	Very low	206 Å²	206	132.9 Å²	132.9	90%	0.896	77%	0.771	S	S	*	*			trans	-171.9	141.2	132.6	-108.5	161	-175	175.6	0	114.4
98	P	35.5	Very low	36.6	Very low	129 Å²	129	135.8 Å²	135.8	84%	0.838	78%	0.78	S	S	*	*			trans	-89.1	133.3	170.5	34.2	-31.3	0	0	0	111.9
99	A	37.1	Very low	36.3	Very low	102 Å²	102	140.2 Å²	140.2	84%	0.843	80%	0.803	S	S	*	*			trans	-143	139.1	163.3	0	0	0	0	0	108.6
100	A	39	Very low	36.2	Very low	92 Å²	92	139.8 Å²	139.8	76%	0.76	80%	0.804	S	S	*	*			trans	-77.7	149.8	-173.4	0	0	0	0	0	112.3
101	P	38.3	Very low	36.5	Very low	127 Å²	127	138.5 Å²	138.5	83%	0.825	79%	0.794	S	S	*	*			trans	-72.1	135.3	175	30.7	-34.1	0	0	0	110.6
102	Y	35.2	Very low	36.6	Very low	209 Å²	209	135.8 Å²	135.8	82%	0.82	80%	0.799	S	S	*	*			trans	-122.1	130.3	166.9	-126.6	-88.6	0	0	0	110	M104	Y102-M104 HydrophobicContact CD1-CE 4.16Å; Y102-M104 HydrophobicContact CE1-CE 4.2Å
103	C	30.7	Very low	36.5	Very low	100 Å²	100	138.7 Å²	138.7	68%	0.676	81%	0.805	S	S	*	*			trans	-82.2	139.5	171.3	-179.9	0	0	0	0	109.2
104	M	38.5	Very low	36.4	Very low	163 Å²	163	142 Å²	142	80%	0.803	81%	0.809	S	S	*	*			trans	-139.6	127.7	158.7	-81.9	-62.4	156.7	0	0	109.5	Y102	Y102-M104 HydrophobicContact CD1-CE 4.16Å; Y102-M104 HydrophobicContact CE1-CE 4.2Å
105	D	35.2	Very low	36.6	Very low	151 Å²	151	145.2 Å²	145.2	81%	0.807	81%	0.809	S	S	*	*			trans	-73	164.5	171.1	-82.1	-66.6	0	0	0	111.8
106	A	33.8	Very low	36.3	Very low	91 Å²	91	145.4 Å²	145.4	75%	0.752	81%	0.805	S	S	*	*			trans	-73.1	142	-175.6	0	0	0	0	0	113.8
107	L	37.5	Very low	36.4	Very low	179 Å²	179	146.3 Å²	146.3	94%	0.937	81%	0.806	S	S	*	*			trans	-130	132.6	147.4	-75.6	179.9	0	0	0	109.7
108	N	31	Very low	36.1	Very low	153 Å²	153	144.9 Å²	144.9	82%	0.818	81%	0.807	S	S	*	*			trans	-70.9	145.6	166.7	-82.5	-79.2	0	0	0	110.1
109	L	36.5	Very low	36.5	Very low	178 Å²	178	144.1 Å²	144.1	93%	0.932	80%	0.802	S	S	*	*				-165.1	145.9	125.8	-125.2	69.9	0	0	0	110
110	E	36.7	Very low	36.3	Very low	172 Å²	172	149.1 Å²	149.1	80%	0.804	81%	0.805	S	S	*	*			trans	-137.6	171.9	-176.8	-135.2	-112.4	144.4	0	0	108
111	P	40.1	Very low	36.2	Very low	84 Å²	84	148.1 Å²	148.1	55%	0.545	80%	0.797	S	S	.	*				-119.4	-177.9	-72.5	42.6	-33.3	0	0	0	111.8
112	T	36.4	Very low	35.9	Very low	147 Å²	147	148.3 Å²	148.3	90%	0.902	80%	0.796	S	S	*	*			trans	-157.1	145	144	-18.1	0	0	0	0	113.5
113	L	34	Very low	35.9	Very low	161 Å²	161	143.6 Å²	143.6	84%	0.843	79%	0.794	S	S	*	*			trans	-104.7	143.1	178.9	-79.9	165.4	0	0	0	113.2
114	K	37.1	Very low	36.2	Very low	204 Å²	204	142.7 Å²	142.7	89%	0.887	79%	0.789	S	S	*	*			trans	177.4	113.9	148	-92.4	143.9	-169.7	178.7	0	106.6
115	K	38.9	Very low	36.1	Very low	177 Å²	177	142.2 Å²	142.2	77%	0.77	79%	0.789	S	S	*	*			cis	91.7	135.9	43.7	-161.9	-157.6	177.4	-132.9	0	111.8
116	E	37.2	Very low	36	Very low	161 Å²	161	138.1 Å²	138.1	75%	0.752	78%	0.782	S	S	*	*			trans	84.8	143.5	174	-51.2	-166.5	178	0	0	116.6
117	A	36.9	Very low	36.2	Very low	87 Å²	87	141.8 Å²	141.8	72%	0.719	79%	0.788	S	S	*	*			cis	-163.5	133.7	-22.8	0	0	0	0	0	113.5
118	L	33.7	Very low	36.1	Very low	176 Å²	176	138.7 Å²	138.7	92%	0.921	78%	0.777	S	S	*	*			trans	49.8	158.7	151.2	-64.1	177.3	0	0	0	123.7
119	P	42.7	Very low	36.3	Very low	113 Å²	113	135.6 Å²	135.6	73%	0.734	77%	0.767	S	S	*	*			trans	-126.1	178	-168.7	44.3	-30.2	0	0	0	116.2
120	F	32.5	Very low	36.3	Very low	206 Å²	206	135.6 Å²	135.6	90%	0.904	76%	0.763	S	S	*	*			trans	-156	132.6	154.8	-127.5	-130.6	0	0	0	108.1
121	A	36.5	Very low	36	Very low	71 Å²	71	131.8 Å²	131.8	59%	0.587	76%	0.755	S	S	*	*				70.1	143.4	92.4	0	0	0	0	0	114.4
122	T	32.7	Very low	35.7	Very low	132 Å²	132	135.8 Å²	135.8	81%	0.81	77%	0.771	S	S	*	*			cis	-167.6	171	-1.3	9.4	0	0	0	0	110.2
123	S	34.8	Very low	35.4	Very low	110 Å²	110	133.3 Å²	133.3	77%	0.769	77%	0.766	S	S	*	*			trans	70.8	162.1	161	-96.8	0	0	0	0	120.1
124	S	37.1	Very low	35.2	Very low	81 Å²	81	130.6 Å²	130.6	57%	0.566	77%	0.766	S	S	*	*			cis	-169.8	168	-47.5	54.3	0	0	0	0	110.5
125	D	37	Very low	34.9	Very low	153 Å²	153	125 Å²	125	82%	0.818	76%	0.758	S	S	*	*			trans	64.1	126	154.2	-48.3	-47.5	0	0	0	122.1
126	G	33.7	Very low	34.4	Very low	64 Å²	64	123 Å²	123	66%	0.66	76%	0.761	S	S	*	*				135.4	101.7	115.7	0	0	0	0	0	120.6
127	L	36.9	Very low	34.1	Very low	168 Å²	168	119.6 Å²	119.6	88%	0.88	76%	0.76	S	S	*	*			trans	68.9	154.9	137.4	-51.4	-178.7	0	0	0	117.8
128	T	35.7	Very low	33.8	Very low	114 Å²	114	120.4 Å²	120.4	70%	0.699	77%	0.767	S	S	*	*			cis	-159.5	153.4	-0.9	-0.2	0	0	0	0	113.6
129	S	34.7	Very low	33.9	Very low	88 Å²	88	116.8 Å²	116.8	62%	0.615	76%	0.762	S	S	*	*			trans	64.8	129.4	137.1	-69.6	0	0	0	0	125.6
130	Q	36.9	Very low	33.3	Very low	178 Å²	178	119.8 Å²	119.8	83%	0.832	77%	0.772	S	S	*	*			trans	70.4	156.4	133.8	-66.6	172.9	45.4	0	0	120.2
131	S	30	Very low	33.4	Very low	92 Å²	92	114.6 Å²	114.6	64%	0.643	77%	0.767	S	S	*	*			cis	-167.1	-174.7	-28.3	65.7	0	0	0	0	109.8
132	L	35.5	Very low	33	Very low	169 Å²	169	114.4 Å²	114.4	89%	0.885	77%	0.772	S	S	*	*			trans	87	113.3	-173.4	-59.9	153.7	0	0	0	114
133	A	29.5	Very low	32.9	Very low	95 Å²	95	116.5 Å²	116.5	79%	0.785	78%	0.775	S	S	*	*			cis	106.5	147.5	7.3	0	0	0	0	0	117.1
134	A	29.2	Very low	32.6	Very low	103 Å²	103	115.4 Å²	115.4	85%	0.851	77%	0.767	S	S	*	*			trans	87.5	149.7	168.6	0	0	0	0	0	120.4
135	A	31.9	Very low	32.5	Very low	86 Å²	86	117.3 Å²	117.3	71%	0.711	78%	0.778	S	S	*	*			trans	70.3	99	173.6	0	0	0	0	0	118.3
136	T	28.7	Very low	32.2	Very low	137 Å²	137	115.5 Å²	115.5	84%	0.84	77%	0.772	S	S	*	*				70.5	135.2	63.3	67.2	0	0	0	0	115.3
137	A	29.8	Very low	32	Very low	89 Å²	89	113.8 Å²	113.8	74%	0.736	75%	0.75	S	S	*	*			cis	-169.3	173.5	-8.7	0	0	0	0	0	111.1
138	A	30.5	Very low	31.7	Very low	104 Å²	104	112.1 Å²	112.1	86%	0.86	74%	0.741	S	S	*	*			trans	68.6	144.2	165.2	0	0	0	0	0	117.5
139	A	35.2	Very low	31.4	Very low	99 Å²	99	113.6 Å²	113.6	82%	0.818	74%	0.738	S	S	*	*			cis	-135.9	145.5	-6.2	0	0	0	0	0	110.5
140	N	30	Very low	31.2	Very low	176 Å²	176	113 Å²	113	94%	0.941	75%	0.745	S	S	*	*			trans	-145	127.9	-173.6	-133.1	-12.9	0	0	0	110
141	A	34.6	Very low	31.1	Very low	97 Å²	97	112.2 Å²	112.2	80%	0.802	75%	0.745	S	S	*	*			trans	-166.6	126.1	165.9	0	0	0	0	0	108.1
142	G	29.5	Very low	31.2	Very low	67 Å²	67	113.8 Å²	113.8	69%	0.691	75%	0.75	S	S	*	*			cis	89	146.1	6.7	0	0	0	0	0	112.8
143	M	30.6	Very low	31.2	Very low	177 Å²	177	114.6 Å²	114.6	87%	0.872	75%	0.747	S	S	*	*			cis	-163.2	151.6	4.9	-110.4	160.9	71.4	0	0	111.6
144	S	27.6	Very low	31.5	Very low	86 Å²	86	115.2 Å²	115.2	60%	0.601	74%	0.741	S	S	*	*			trans	27.9	154.7	140.1	65.6	0	0	0	0	124.6
145	P	35.2	Very low	31.9	Very low	122 Å²	122	119.1 Å²	119.1	79%	0.792	74%	0.739	S	S	*	*			trans	-86.6	159.5	178.7	37.1	-37.5	0	0	0	115.5
146	V	30.3	Very low	32	Very low	115 Å²	115	120 Å²	120	70%	0.697	74%	0.736	S	S	*	*			trans	-144.9	-174.7	-179.3	-170.6	0	0	0	0	110.9	Q583 A584	V146-Q583 CarbonylContact O-C 3.33Å; V146-A584 PolarHBondContact O-N 2.9Å
147	S	29.5	Very low	32.3	Very low	27 Å²	27	120.9 Å²	120.9	19%	0.189	73%	0.734	C	S	.	*			trans	-125.7	158.5	-168.7	-159	0	0	0	0	117.6	E582 Q583 A584	S147-E582 WeakPolarHBondContact OG-CB 3.35Å; S147-Q583 VanDerWaalsContact CA-O 3.29Å; S147-Q583 WeakPolarHBondContact CA-O 3.42Å; S147-Q583 WeakPolarHBondContact CB-O 3.4Å; S147-Q583 VanDerWaalsContact OG-C 3.31Å; S147-Q583 PolarHBondContact OG-N 2.66Å; S147-Q583 PolarHBondContact OG-O 2.69Å; S147-A584 CarbonylContact C-O 3.58Å; S147-A584 WeakPolarHBondContact CA-O 3.47Å
148	L	31.4	Very low	32.7	Very low	134 Å²	134	120.9 Å²	120.9	70%	0.702	73%	0.727	S	S	*	*				-162.3	166	103.4	-98	167.5	0	0	0	118.1	A584	L148-A584 PolarHBondContact N-O 3.19Å
149	K	29.9	Very low	32.7	Very low	144 Å²	144	124.2 Å²	124.2	63%	0.626	73%	0.725	S	S	*	*			trans	-69.1	140.6	-173.1	-61.6	169.7	166.3	58.3	0	117.2	E582	K149-E582 WeakPolarHBondContact CE-OE1 3.39Å; K149-E582 WeakPolarHBondContact CG-OE1 3.39Å; K149-E582 IonicContact NZ-OE1 3Å; K149-E582 PolarHBondContact NZ-OE1 3.13Å; K149-E582 IonicContact NZ-OE2 2.68Å; K149-E582 PolarHBondContact NZ-OE2 3.29Å
150	G	30.6	Very low	32.4	Very low	75 Å²	75	123.7 Å²	123.7	77%	0.773	72%	0.715	S	S	*	*				50.8	136	115.3	0	0	0	0	0	124.8
151	I	33.5	Very low	32.3	Very low	163 Å²	163	121.9 Å²	121.9	84%	0.836	71%	0.705	S	S	*	*			trans	-158.9	117.7	152.3	-99.1	154	0	0	0	105.6
152	V	32.8	Very low	32.1	Very low	124 Å²	124	123.3 Å²	123.3	75%	0.752	70%	0.699	S	S	*	*				78.4	104	64.6	176.7	0	0	0	0	115.4
153	K	36	Very low	32.2	Very low	187 Å²	187	126 Å²	126	81%	0.813	70%	0.698	S	S	*	*			trans	-161.8	121.3	131.8	-143.4	82.6	-178.8	-170.7	0	114.2
154	T	34.8	Very low	32.3	Very low	108 Å²	108	123.8 Å²	123.8	66%	0.663	69%	0.69	S	S	*	*			trans	3.7	154.3	150.8	67.3	0	0	0	0	121.2
155	K	36.8	Very low	32.4	Very low	184 Å²	184	125.5 Å²	125.5	80%	0.8	69%	0.692	S	S	*	*			cis	-152.8	136	42.3	-105.5	-168.4	174.9	176.3	0	110
156	T	34	Very low	32.1	Very low	105 Å²	105	124.1 Å²	124.1	64%	0.644	69%	0.685	S	S	*	*				80.6	126.8	73.8	-64.7	0	0	0	0	113
157	L	35.7	Very low	32.1	Very low	155 Å²	155	125.8 Å²	125.8	81%	0.812	69%	0.685	S	S	*	*			cis	-155.3	-172.1	-8.9	-129.5	75.9	0	0	0	106.9
158	P	38.4	Very low	32	Very low	89 Å²	89	132.6 Å²	132.6	58%	0.578	71%	0.714	S	S	*	*			trans	-133.4	-156	-146.6	36.2	-9.3	0	0	0	113.8
159	Q	30.9	Very low	31.8	Very low	175 Å²	175	129.3 Å²	129.3	82%	0.818	71%	0.713	S	S	*	*			trans	69.2	153.9	147.8	-86.7	169.5	-23.9	0	0	117.4
160	S	29.1	Very low	31.9	Very low	87 Å²	87	129 Å²	129	61%	0.608	72%	0.718	S	S	*	*			cis	-163.3	152.7	0.6	45.1	0	0	0	0	112.1
161	N	27.8	Very low	32	Very low	138 Å²	138	134.4 Å²	134.4	74%	0.738	72%	0.72	S	S	*	*			trans	68.7	148.7	137.6	-73	24	0	0	0	122
162	N	30.1	Very low	32	Very low	127 Å²	127	134.5 Å²	134.5	68%	0.679	71%	0.714	S	S	*	*			trans	68.3	150.9	151.3	-69.4	36.3	0	0	0	117.7
163	D	30.4	Very low	32.2	Very low	123 Å²	123	131.4 Å²	131.4	66%	0.658	71%	0.708	S	S	*	*			cis	-156.2	174.9	-8.2	-103.1	-20.2	0	0	0	111.1
164	D	33.6	Very low	32.4	Very low	132 Å²	132	127.9 Å²	127.9	71%	0.706	70%	0.697	S	S	*	*			trans	51.8	104.3	155.2	-82.9	-57.6	0	0	0	123.1
165	N	28.8	Very low	32.5	Very low	122 Å²	122	127.7 Å²	127.7	65%	0.652	70%	0.697	S	S	*	*				30.6	116.8	104.3	169	50.9	0	0	0	119.8
166	S	29.4	Very low	32.7	Very low	92 Å²	92	126.7 Å²	126.7	64%	0.643	69%	0.694	S	S	*	*				178.2	123.6	120.6	-84.2	0	0	0	0	116.8
167	Q	29.8	Very low	32.9	Very low	150 Å²	150	126.8 Å²	126.8	70%	0.701	70%	0.695	S	S	*	*				58.2	135.1	127.5	-60.7	-166.9	16.9	0	0	125.3
168	Q	28.4	Very low	32.9	Very low	170 Å²	170	126.5 Å²	126.5	79%	0.794	69%	0.694	S	S	*	*			trans	76.2	149.5	139.4	-73.9	-176.6	74.9	0	0	122
169	G	28.1	Very low	32.6	Very low	66 Å²	66	127.9 Å²	127.9	68%	0.68	71%	0.705	S	S	*	*			trans	115.1	76.8	167.1	0	0	0	0	0	115.3
170	L	31	Very low	32.6	Very low	138 Å²	138	127 Å²	127	72%	0.723	71%	0.705	S	S	*	*				85.4	120.2	69.8	-75.2	168	0	0	0	116.5
171	K	33.6	Very low	32.8	Very low	187 Å²	187	129.1 Å²	129.1	81%	0.813	72%	0.715	S	S	*	*			trans	70.8	157.9	146.5	-69.1	171.2	178.5	172.9	0	118.1
172	K	33.6	Very low	33	Very low	165 Å²	165	131 Å²	131	72%	0.717	72%	0.719	S	S	*	*			cis	-169.1	155.2	-19.4	172.6	177.3	-168.2	-64.9	0	108.4	D174	K172-D174 IonicContact NZ-OD1 2.57Å; K172-D174 PolarHBondContact NZ-OD1 2.98Å; K172-D174 IonicContact NZ-OD2 3.26Å; K172-D174 PolarHBondContact NZ-OD2 3.22Å
173	G	36.8	Very low	33.3	Very low	60 Å²	60	133.6 Å²	133.6	62%	0.619	73%	0.727	S	S	*	*			trans	145.2	100.4	175.5	0	0	0	0	0	109.5
174	D	39.1	Very low	33.5	Very low	112 Å²	112	137.2 Å²	137.2	60%	0.599	73%	0.731	S	S	*	*				68.6	127.5	55.4	-44.1	-42.1	0	0	0	111.4	K172	K172-D174 IonicContact NZ-OD1 2.57Å; K172-D174 PolarHBondContact NZ-OD1 2.98Å; K172-D174 IonicContact NZ-OD2 3.26Å; K172-D174 PolarHBondContact NZ-OD2 3.22Å
175	T	37.3	Very low	33.5	Very low	105 Å²	105	137.8 Å²	137.8	64%	0.644	73%	0.734	S	S	*	*			cis	-161.7	164	3.5	5.7	0	0	0	0	112.9
176	E	40.2	Very low	33.7	Very low	162 Å²	162	135.7 Å²	135.7	76%	0.757	74%	0.742	S	S	*	*			trans	63.2	147.5	144.1	-66.8	161.6	134	0	0	120.1
177	T	39.5	Very low	33.7	Very low	107 Å²	107	140 Å²	140	66%	0.656	75%	0.749	S	S	*	*			cis	-160.4	146.3	-6	17.6	0	0	0	0	111
178	D	34.1	Very low	33.7	Very low	149 Å²	149	138.4 Å²	138.4	80%	0.797	75%	0.745	S	S	*	*			trans	34.8	153.1	131.3	-53.7	-21.1	0	0	0	122.3
179	C	33	Very low	34.1	Very low	118 Å²	118	138 Å²	138	80%	0.797	75%	0.747	S	S	*	*			cis	-149	168.5	17.1	-152.3	0	0	0	0	114.1
180	L	31	Very low	34.2	Very low	156 Å²	156	139.7 Å²	139.7	82%	0.817	75%	0.745	S	S	*	*			trans	-90.8	167.5	174.1	-62.9	164.8	0	0	0	111.7
181	T	32.6	Very low	34.3	Very low	133 Å²	133	140.6 Å²	140.6	82%	0.816	75%	0.745	S	S	*	*				169.1	156.7	108.5	-62.3	0	0	0	0	111.3
182	E	33.2	Very low	34.3	Very low	176 Å²	176	138.3 Å²	138.3	82%	0.822	74%	0.742	S	S	*	*			trans	-71.4	170.4	175.1	-51	175.6	99.1	0	0	113.4
183	E	36.9	Very low	34.3	Very low	183 Å²	183	134.1 Å²	134.1	86%	0.855	75%	0.745	S	S	*	*				-173.4	179.5	129.1	-102.6	-73.5	73.2	0	0	111.9
184	R	34.7	Very low	34.2	Very low	198 Å²	198	137.1 Å²	137.1	75%	0.747	76%	0.756	S	S	*	*			trans	-151.4	150.6	-147.1	-159.7	-173.1	170.3	152.2	-2.2	116
185	N	32.8	Very low	34	Very low	144 Å²	144	137.7 Å²	137.7	77%	0.77	77%	0.768	S	S	*	*			trans	79.3	145.4	162.9	-47.7	-62.1	0	0	0	120.8
186	G	32.9	Very low	33.9	Very low	78 Å²	78	137.3 Å²	137.3	80%	0.804	77%	0.77	S	S	*	*			trans	91.8	156.8	153.5	0	0	0	0	0	117.8
187	F	29.5	Very low	33.6	Very low	183 Å²	183	139.6 Å²	139.6	80%	0.803	78%	0.778	S	S	*	*			cis	-163.1	138.7	-16.4	177.6	-97.1	0	0	0	111.6
188	L	29	Very low	33.3	Very low	116 Å²	116	137.8 Å²	137.8	61%	0.607	78%	0.78	S	S	*	*			trans	4.2	134.6	154.3	-131.7	165.9	0	0	0	121.3
189	L	36.5	Very low	33.3	Very low	161 Å²	161	137.5 Å²	137.5	84%	0.843	78%	0.783	S	S	*	*			trans	-160.6	178.2	132.7	-133.6	80.3	0	0	0	113
190	T	30.7	Very low	33.4	Very low	103 Å²	103	136.1 Å²	136.1	63%	0.632	78%	0.781	S	S	*	*			trans	-150	162.8	-159.5	-13.6	0	0	0	0	115
191	Q	32.8	Very low	33.7	Very low	156 Å²	156	133.9 Å²	133.9	73%	0.729	78%	0.778	S	S	*	*			trans	83.3	134	150.6	-80.1	-177.3	-95.1	0	0	123.8
192	D	33.8	Very low	33.9	Very low	140 Å²	140	133.2 Å²	133.2	75%	0.749	78%	0.778	S	S	*	*			trans	65.2	141.2	137.1	-49	-13	0	0	0	124.9
193	G	35	Very low	34	Very low	76 Å²	76	128.5 Å²	128.5	78%	0.784	77%	0.77	S	S	*	*			trans	159.2	138.3	166.2	0	0	0	0	0	114.9
194	C	33	Very low	34	Very low	124 Å²	124	126.3 Å²	126.3	84%	0.838	77%	0.769	S	S	*	*			trans	-133.8	173.1	-169.1	-74.2	0	0	0	0	115.5
195	S	35.2	Very low	34	Very low	123 Å²	123	121.9 Å²	121.9	86%	0.86	77%	0.769	S	S	*	*			trans	76.2	156.4	155.3	77.7	0	0	0	0	118.8
196	S	34.9	Very low	34.2	Very low	98 Å²	98	121 Å²	121	69%	0.685	77%	0.774	S	S	*	*			cis	-172.3	168.2	-24.9	178.7	0	0	0	0	109.7
197	F	34.5	Very low	34.2	Very low	210 Å²	210	124.4 Å²	124.4	92%	0.921	78%	0.779	S	S	*	*			trans	147.8	145	139.7	-83.4	-66.4	0	0	0	115.1
198	G	32.6	Very low	34.6	Very low	68 Å²	68	119.3 Å²	119.3	70%	0.701	78%	0.778	S	S	*	*			trans	-172.8	176	176.1	0	0	0	0	0	113.9
199	V	35	Very low	34.9	Very low	143 Å²	143	121.7 Å²	121.7	87%	0.867	79%	0.791	S	S	*	*			trans	-156.8	131.1	177.9	-89.6	0	0	0	0	108.6
200	A	34.3	Very low	35.2	Very low	90 Å²	90	118 Å²	118	74%	0.744	78%	0.784	S	S	*	*				76.9	137.5	67.1	0	0	0	0	0	113.7
201	S	38.2	Very low	35.8	Very low	109 Å²	109	117.8 Å²	117.8	76%	0.762	79%	0.786	S	S	*	*			cis	-169.4	163.1	4.1	-116.7	0	0	0	0	114.2
202	S	37.2	Very low	36.3	Very low	118 Å²	118	117.3 Å²	117.3	83%	0.825	79%	0.789	S	S	*	*			trans	68.7	161	152	-60.8	0	0	0	0	121.3
203	A	35.2	Very low	36.6	Very low	77 Å²	77	117.5 Å²	117.5	64%	0.636	79%	0.79	S	S	*	*			cis	-175.9	170.2	-30.3	0	0	0	0	0	111
204	T	35.9	Very low	36.9	Very low	138 Å²	138	118.9 Å²	118.9	85%	0.847	79%	0.794	S	S	*	*			trans	66.9	170.7	164.4	71.9	0	0	0	0	119.9
205	S	35.3	Very low	37.1	Very low	105 Å²	105	121.7 Å²	121.7	73%	0.734	79%	0.792	S	S	*	*				179.1	133.2	-72.9	55.7	0	0	0	0	112.7
206	S	37.7	Very low	37.3	Very low	126 Å²	126	121.4 Å²	121.4	88%	0.881	79%	0.79	S	S	*	*			trans	-172.6	170.7	159.5	48.4	0	0	0	0	113.1
207	T	32.9	Very low	37.8	Very low	149 Å²	149	122.3 Å²	122.3	91%	0.914	79%	0.794	S	S	*	*			trans	-148.7	150.3	-166.3	51.4	0	0	0	0	114.2
208	G	37.1	Very low	38	Very low	75 Å²	75	124.6 Å²	124.6	77%	0.773	80%	0.796	S	S	*	*			trans	170.1	130.2	164.4	0	0	0	0	0	109.9
209	D	36	Very low	38.1	Very low	167 Å²	167	125.1 Å²	125.1	89%	0.893	80%	0.802	S	S	*	*			cis	104.2	142	14.3	-161.3	24.6	0	0	0	114.9
210	A	41.9	Very low	38.2	Very low	84 Å²	84	124.4 Å²	124.4	69%	0.694	80%	0.804	S	S	*	*			trans	64.5	159.1	-174.5	0	0	0	0	0	116.1
211	S	43.5	Very low	38.2	Very low	97 Å²	97	130.1 Å²	130.1	68%	0.678	81%	0.806	S	S	*	*			cis	-177.5	157.3	-15.7	48.1	0	0	0	0	108.9
212	D	43	Very low	38.5	Very low	146 Å²	146	129.8 Å²	129.8	78%	0.781	81%	0.81	S	S	*	*			cis	-170.6	169.6	-21.5	-94.2	-46.8	0	0	0	109.6
213	D	40.1	Very low	38.6	Very low	144 Å²	144	129.4 Å²	129.4	77%	0.77	80%	0.795	S	S	*	*			trans	45.1	128.5	157.5	-84.9	-39.7	0	0	0	123.9
214	A	40.5	Very low	39.1	Very low	105 Å²	105	131 Å²	131	87%	0.868	80%	0.798	S	S	*	*				-167.2	130.5	129.7	0	0	0	0	0	114.5
215	F	38.8	Very low	40	Very low	184 Å²	184	129 Å²	129	81%	0.807	79%	0.786	S	S	*	*			trans	-86.1	147.2	178.6	-89.2	-120.4	0	0	0	114.3
216	S	39.7	Very low	41.3	Very low	117 Å²	117	129.8 Å²	129.8	82%	0.818	78%	0.782	S	S	*	*				178.5	155.5	108.6	-81	0	0	0	0	115.4
217	P	44.8	Very low	42.6	Very low	117 Å²	117	131.9 Å²	131.9	76%	0.76	78%	0.778	S	S	*	*			trans	-125.6	141.8	-165.4	38.9	-23.2	0	0	0	117.5
218	R	37.7	Very low	44.5	Very low	257 Å²	257	129.5 Å²	129.5	97%	0.97	76%	0.759	S	S	*	*			trans	-166.7	146.1	154.7	-101.3	174	-176.9	-159.1	2	108.1
219	G	35.3	Very low	46.4	Very low	80 Å²	80	131.2 Å²	131.2	83%	0.825	75%	0.747	S	S	*	*			cis	158.5	59.3	-4.3	0	0	0	0	0	114.2
220	S	37.1	Very low	48.4	Very low	128 Å²	128	127.7 Å²	127.7	90%	0.895	73%	0.725	S	S	*	*			trans	-139.5	152.8	179.9	55.6	0	0	0	0	112.9
221	R	35.4	Very low	50.2	Low	209 Å²	209	130.5 Å²	130.5	79%	0.789	72%	0.724	S	S	*	*			trans	-117.7	112.4	-168.8	164.3	-178.6	153.3	-168.6	-6.3	110.5	E223	R221-E223 IonicContact CZ-OE1 2.79Å; R221-E223 VanDerWaalsContact CZ-OE1 3.3Å; R221-E223 IonicContact NE-OE1 2.69Å; R221-E223 PolarHBondContact NE-OE1 3.24Å; R221-E223 VanDerWaalsContact NE-OE1 3.1Å; R221-E223 IonicContact NH2-OE1 2.79Å; R221-E223 PolarHBondContact NH2-OE1 3.21Å
222	A	42.6	Very low	52	Low	102 Å²	102	134.3 Å²	134.3	84%	0.843	72%	0.724	S	S	*	*			trans	-78.9	142.7	170.3	0	0	0	0	0	111.5
223	E	39.4	Very low	53.8	Low	111 Å²	111	132.7 Å²	132.7	52%	0.519	71%	0.711	S	S	.	*			trans	-106.1	149.5	-175.1	-82.3	-84.6	130.4	0	0	112.6	R221 T225	R221-E223 IonicContact CZ-OE1 2.79Å; R221-E223 VanDerWaalsContact CZ-OE1 3.3Å; R221-E223 IonicContact NE-OE1 2.69Å; R221-E223 PolarHBondContact NE-OE1 3.24Å; R221-E223 VanDerWaalsContact NE-OE1 3.1Å; R221-E223 IonicContact NH2-OE1 2.79Å; R221-E223 PolarHBondContact NH2-OE1 3.21Å; E223-T225 HydrophobicContact CB-CG2 3.75Å; E223-T225 PolarHBondContact O-N 2.73Å
224	P	46.4	Very low	55.8	Low	109 Å²	109	131.3 Å²	131.3	71%	0.708	70%	0.698	S	S	*	*			trans	-79	66.8	175.6	34.5	-36.1	0	0	0	111.6
225	T	54.3	Low	58	Low	97 Å²	97	132 Å²	132	60%	0.595	68%	0.682	S	S	*	*	H	α-helix	trans	-76.2	-35.1	-167.4	55.2	0	0	0	0	114.9	E223 L228 H229	E223-T225 HydrophobicContact CB-CG2 3.75Å; E223-T225 PolarHBondContact O-N 2.73Å; T225-L228 PolarHBondContact O-N 2.72Å; T225-H229 PolarHBondContact O-N 2.99Å
226	N	62.5	Low	60.1	Low	121 Å²	121	125.7 Å²	125.7	65%	0.647	66%	0.664	S	S	*	*	H	α-helix	trans	-69	-50.4	-165.3	-162.2	-35.6	0	0	0	113.7	L228 H229 Q230	N226-L228 VanDerWaalsContact C-N 3.28Å; N226-L228 PolarHBondContact O-N 3.26Å; N226-H229 PolarHBondContact O-N 3.11Å; N226-H229 VanDerWaalsContact O-N 3.13Å; N226-Q230 PolarHBondContact O-N 2.95Å
227	E	65	Low	62.1	Low	170 Å²	170	129.6 Å²	129.6	79%	0.794	66%	0.66	S	S	*	*	H	α-helix	trans	-58.4	-39.6	176	-88.2	-145.9	115	0	0	112.3	H229 Q230 Q231	E227-H229 VanDerWaalsContact C-N 3.35Å; E227-Q230 PolarHBondContact O-N 3.23Å; E227-Q231 VanDerWaalsContact O-CB 3.27Å; E227-Q231 WeakPolarHBondContact O-CB 3.43Å; E227-Q231 PolarHBondContact O-N 2.78Å
228	L	74.3	Confident	63.9	Low	99 Å²	99	127.9 Å²	127.9	52%	0.518	65%	0.647	S	S	.	*	H	α-helix	trans	-69	-35.1	179.5	-169.9	144.8	0	0	0	111.4	T225 N226 Q231 R232	T225-L228 PolarHBondContact O-N 2.72Å; N226-L228 VanDerWaalsContact C-N 3.28Å; N226-L228 PolarHBondContact O-N 3.26Å; L228-Q231 PolarHBondContact O-N 2.98Å; L228-R232 HydrophobicContact CD2-CG 4.26Å; L228-R232 WeakPolarHBondContact O-CB 3.33Å; L228-R232 WeakPolarHBondContact O-CG 3.26Å; L228-R232 PolarHBondContact O-N 2.86Å
229	H	76.3	Confident	66.1	Low	111 Å²	111	120 Å²	120	51%	0.514	62%	0.622	S	S	.	*	H	α-helix	trans	-65.7	-46.4	172.5	-154.7	119	0	0	0	111.2	T225 N226 E227 Q231 R232 Q233	T225-H229 PolarHBondContact O-N 2.99Å; N226-H229 PolarHBondContact O-N 3.11Å; N226-H229 VanDerWaalsContact O-N 3.13Å; E227-H229 VanDerWaalsContact C-N 3.35Å; H229-Q231 VanDerWaalsContact C-N 3.29Å; H229-Q231 PolarHBondContact O-N 3.43Å; H229-R232 WeakPolarHBondContact O-CB 3.45Å; H229-R232 PolarHBondContact O-N 2.94Å; H229-R232 VanDerWaalsContact O-N 3.17Å; H229-Q233 PolarHBondContact O-N 3.48Å
230	Q	77.7	Confident	68.2	Low	94 Å²	94	122 Å²	122	44%	0.439	61%	0.613	S	S	.	*	H	α-helix	trans	-66.6	-31.4	178	-151.2	-171.2	102.3	0	0	112.3	N226 E227 K234	N226-Q230 PolarHBondContact O-N 2.95Å; E227-Q230 PolarHBondContact O-N 3.23Å; Q230-K234 WeakPolarHBondContact O-CD 3.47Å; Q230-K234 VanDerWaalsContact O-CG 3.27Å; Q230-K234 WeakPolarHBondContact O-CG 3.14Å; Q230-K234 PolarHBondContact O-N 2.92Å; Q230-K234 VanDerWaalsContact O-N 3.1Å
231	Q	79.1	Confident	70.2	Confident	143 Å²	143	120.8 Å²	120.8	67%	0.668	60%	0.596	S	S	*	*	H	α-helix	trans	-73.3	-35.4	173	-165.7	172.3	98.5	0	0	112	E227 L228 H229 K235	E227-Q231 VanDerWaalsContact O-CB 3.27Å; E227-Q231 WeakPolarHBondContact O-CB 3.43Å; E227-Q231 PolarHBondContact O-N 2.78Å; L228-Q231 PolarHBondContact O-N 2.98Å; H229-Q231 VanDerWaalsContact C-N 3.29Å; H229-Q231 PolarHBondContact O-N 3.43Å; Q231-K235 WeakPolarHBondContact O-CB 3.18Å; Q231-K235 PolarHBondContact O-N 2.62Å
232	R	81.7	Confident	72.4	Confident	177 Å²	177	114.5 Å²	114.5	67%	0.668	58%	0.577	S	S	*	*	H	α-helix	trans	-61.7	-48.1	168.8	-83.4	-179.7	168.3	-162.8	-1.8	111.8	L228 H229 K234 K235 A236	L228-R232 HydrophobicContact CD2-CG 4.26Å; L228-R232 WeakPolarHBondContact O-CB 3.33Å; L228-R232 WeakPolarHBondContact O-CG 3.26Å; L228-R232 PolarHBondContact O-N 2.86Å; H229-R232 WeakPolarHBondContact O-CB 3.45Å; H229-R232 PolarHBondContact O-N 2.94Å; H229-R232 VanDerWaalsContact O-N 3.17Å; R232-K234 VanDerWaalsContact C-N 3.34Å; R232-K234 PolarHBondContact O-N 2.89Å; R232-K235 PolarHBondContact O-N 3.1Å; R232-K235 VanDerWaalsContact O-N 3.17Å; R232-A236 WeakPolarHBondContact O-CB 3.49Å; R232-A236 PolarHBondContact O-N 3.33Å
233	Q	80.8	Confident	74	Confident	111 Å²	111	112.9 Å²	112.9	52%	0.519	56%	0.559	S	S	.	*	H	α-helix	trans	-59.8	-42.3	176.8	-75.1	179.1	-6.5	0	0	112.3	H229 A236 R237	H229-Q233 PolarHBondContact O-N 3.48Å; Q233-A236 PolarHBondContact O-N 3.16Å; Q233-R237 PolarHBondContact O-N 3.27Å
234	K	82.2	Confident	75.7	Confident	116 Å²	116	115.5 Å²	115.5	50%	0.504	57%	0.566	S	S	.	*	H	α-helix	trans	-62.7	-41.2	174.8	-72.5	165.3	-170	168	0	111.9	Q230 R232 V238	Q230-K234 WeakPolarHBondContact O-CD 3.47Å; Q230-K234 VanDerWaalsContact O-CG 3.27Å; Q230-K234 WeakPolarHBondContact O-CG 3.14Å; Q230-K234 PolarHBondContact O-N 2.92Å; Q230-K234 VanDerWaalsContact O-N 3.1Å; R232-K234 VanDerWaalsContact C-N 3.34Å; R232-K234 PolarHBondContact O-N 2.89Å; K234-V238 WeakPolarHBondContact O-CG2 3.31Å; K234-V238 PolarHBondContact O-N 3.14Å
235	K	86.4	Confident	77	Confident	120 Å²	120	115 Å²	115	52%	0.522	56%	0.556	S	S	.	*	H	α-helix	trans	-65.1	-44	174.1	-176.7	173.9	177.8	-74.9	0	111.8	Q231 R232 V238 E239	Q231-K235 WeakPolarHBondContact O-CB 3.18Å; Q231-K235 PolarHBondContact O-N 2.62Å; R232-K235 PolarHBondContact O-N 3.1Å; R232-K235 VanDerWaalsContact O-N 3.17Å; K235-V238 PolarHBondContact O-N 3.46Å; K235-E239 WeakPolarHBondContact CE-OE1 3.38Å; K235-E239 HydrophobicContact CG-CG 4.48Å; K235-E239 IonicContact NZ-OE1 3.22Å; K235-E239 PolarHBondContact NZ-OE1 3.09Å; K235-E239 IonicContact NZ-OE2 2.75Å; K235-E239 PolarHBondContact NZ-OE2 3.16Å; K235-E239 PolarHBondContact O-N 3.14Å
236	A	84.4	Confident	78	Confident	51 Å²	51	116.7 Å²	116.7	42%	0.421	56%	0.557	S	S	.	*	H	α-helix	trans	-62.9	-42.6	178.4	0	0	0	0	0	112.3	R232 Q233 V238 E239 N240	R232-A236 WeakPolarHBondContact O-CB 3.49Å; R232-A236 PolarHBondContact O-N 3.33Å; Q233-A236 PolarHBondContact O-N 3.16Å; A236-V238 VanDerWaalsContact C-N 3.34Å; A236-V238 PolarHBondContact O-N 3.29Å; A236-E239 PolarHBondContact O-N 3.11Å; A236-N240 PolarHBondContact O-N 3.41Å
237	R	80.3	Confident	78.3	Confident	198 Å²	198	115.2 Å²	115.2	75%	0.747	56%	0.556	S	S	*	*	H	α-helix	trans	-59.5	-42.8	172.2	-79.3	-172.2	175.3	178.5	-0.5	112.1	Q233 N240 I241	Q233-R237 PolarHBondContact O-N 3.27Å; R237-N240 PolarHBondContact O-N 3.49Å; R237-I241 WeakPolarHBondContact O-CD1 3.36Å; R237-I241 VanDerWaalsContact O-CG1 3.26Å; R237-I241 WeakPolarHBondContact O-CG1 3.49Å; R237-I241 PolarHBondContact O-N 2.87Å
238	V	84	Confident	78	Confident	81 Å²	81	110.4 Å²	110.4	49%	0.491	54%	0.541	S	S	.	.	H	α-helix	trans	-67	-40.7	176.7	171.3	0	0	0	0	111.7	K234 K235 A236 I241 I242	K234-V238 WeakPolarHBondContact O-CG2 3.31Å; K234-V238 PolarHBondContact O-N 3.14Å; K235-V238 PolarHBondContact O-N 3.46Å; A236-V238 VanDerWaalsContact C-N 3.34Å; A236-V238 PolarHBondContact O-N 3.29Å; V238-I241 PolarHBondContact O-N 3.09Å; V238-I242 HydrophobicContact CG1-CD1 3.72Å; V238-I242 HydrophobicContact CG1-CG1 4.42Å; V238-I242 WeakPolarHBondContact O-CB 3.41Å; V238-I242 VanDerWaalsContact O-CG1 3.27Å; V238-I242 WeakPolarHBondContact O-CG1 3.32Å; V238-I242 PolarHBondContact O-N 2.68Å
239	E	83.8	Confident	76.7	Confident	92 Å²	92	108.7 Å²	108.7	43%	0.43	54%	0.538	S	S	.	.	H	α-helix	trans	-69.4	-33.5	176.9	-75.4	176.3	146.9	0	0	112.6	K235 A236 S243	K235-E239 WeakPolarHBondContact CE-OE1 3.38Å; K235-E239 HydrophobicContact CG-CG 4.48Å; K235-E239 IonicContact NZ-OE1 3.22Å; K235-E239 PolarHBondContact NZ-OE1 3.09Å; K235-E239 IonicContact NZ-OE2 2.75Å; K235-E239 PolarHBondContact NZ-OE2 3.16Å; K235-E239 PolarHBondContact O-N 3.14Å; A236-E239 PolarHBondContact O-N 3.11Å; E239-S243 VanDerWaalsContact O-CB 3.23Å; E239-S243 WeakPolarHBondContact O-CB 3.37Å; E239-S243 PolarHBondContact O-N 2.76Å; E239-S243 PolarHBondContact O-OG 2.91Å
240	N	79.6	Confident	75.7	Confident	121 Å²	121	109.1 Å²	109.1	65%	0.647	55%	0.55	S	S	*	*	H	α-helix	trans	-66.2	-43.9	169.2	-97.4	16.2	0	0	0	112	A236 R237 I242 S243 Y244	A236-N240 PolarHBondContact O-N 3.41Å; R237-N240 PolarHBondContact O-N 3.49Å; N240-I242 PolarHBondContact O-N 3.01Å; N240-S243 PolarHBondContact O-N 3.1Å; N240-Y244 VanDerWaalsContact O-CB 3.29Å; N240-Y244 WeakPolarHBondContact O-CB 3.45Å; N240-Y244 PolarHBondContact O-N 3.3Å
241	I	78.5	Confident	73.6	Confident	103 Å²	103	110.1 Å²	110.1	53%	0.528	57%	0.567	S	S	.	*	H	α-helix	trans	-62.3	-43.5	177	-69.5	163.9	0	0	0	110.8	R237 V238 Y244 I245	R237-I241 WeakPolarHBondContact O-CD1 3.36Å; R237-I241 VanDerWaalsContact O-CG1 3.26Å; R237-I241 WeakPolarHBondContact O-CG1 3.49Å; R237-I241 PolarHBondContact O-N 2.87Å; V238-I241 PolarHBondContact O-N 3.09Å; I241-Y244 PolarHBondContact O-N 3.45Å; I241-I245 HydrophobicContact CG2-CD1 3.86Å; I241-I245 WeakPolarHBondContact O-CD1 3.31Å; I241-I245 VanDerWaalsContact O-CG1 3.26Å; I241-I245 WeakPolarHBondContact O-CG1 3.34Å; I241-I245 PolarHBondContact O-N 3.17Å
242	I	80.6	Confident	71.8	Confident	78 Å²	78	109.9 Å²	109.9	40%	0.4	58%	0.575	S	S	.	*	H	α-helix	trans	-65.3	-42.1	176.1	-69.3	168.7	0	0	0	110.9	V238 N240 I245 H246	V238-I242 HydrophobicContact CG1-CD1 3.72Å; V238-I242 HydrophobicContact CG1-CG1 4.42Å; V238-I242 WeakPolarHBondContact O-CB 3.41Å; V238-I242 VanDerWaalsContact O-CG1 3.27Å; V238-I242 WeakPolarHBondContact O-CG1 3.32Å; V238-I242 PolarHBondContact O-N 2.68Å; N240-I242 PolarHBondContact O-N 3.01Å; I242-I245 PolarHBondContact O-N 3.29Å; I242-H246 WeakPolarHBondContact CG2-CE1 3.43Å; I242-H246 WeakPolarHBondContact O-CB 3.34Å; I242-H246 VanDerWaalsContact O-CG 3.27Å; I242-H246 PolarHBondContact O-N 2.59Å; I242-H246 PolarHBondContact O-ND1 3.47Å
243	S	76.5	Confident	70	Confident	67 Å²	67	108.2 Å²	108.2	47%	0.469	58%	0.576	S	S	.	*	H	α-helix	trans	-64.1	-42.8	177.7	-58.7	0	0	0	0	111.3	E239 N240 H246 S247	E239-S243 VanDerWaalsContact O-CB 3.23Å; E239-S243 WeakPolarHBondContact O-CB 3.37Å; E239-S243 PolarHBondContact O-N 2.76Å; E239-S243 PolarHBondContact O-OG 2.91Å; N240-S243 PolarHBondContact O-N 3.1Å; S243-H246 CarbonylContact O-C 3.27Å; S243-H246 PolarHBondContact O-N 3.08Å; S243-S247 WeakPolarHBondContact O-CB 3.21Å; S243-S247 PolarHBondContact O-N 3.21Å; S243-S247 PolarHBondContact O-OG 3.11Å; S243-S247 VanDerWaalsContact O-OG 3.09Å
244	Y	74.6	Confident	68.3	Low	166 Å²	166	108.9 Å²	108.9	65%	0.651	59%	0.59	S	S	*	*	H	α-helix	trans	-61.1	-46.1	175.2	-174.3	-96.3	0	0	0	111.8	N240 I241 H246 S247 S248	N240-Y244 VanDerWaalsContact O-CB 3.29Å; N240-Y244 WeakPolarHBondContact O-CB 3.45Å; N240-Y244 PolarHBondContact O-N 3.3Å; I241-Y244 PolarHBondContact O-N 3.45Å; Y244-H246 VanDerWaalsContact C-N 3.29Å; Y244-H246 PolarHBondContact O-N 3.15Å; Y244-S247 WeakPolarHBondContact CA-OG 3.41Å; Y244-S247 PolarHBondContact O-N 2.98Å; Y244-S247 PolarHBondContact O-OG 3.01Å; Y244-S247 VanDerWaalsContact O-OG 3.14Å; Y244-S248 WeakPolarHBondContact O-CB 3.27Å; Y244-S248 PolarHBondContact O-N 3.26Å; Y244-S248 PolarHBondContact O-OG 3.02Å
245	I	74.9	Confident	66.2	Low	98 Å²	98	108.1 Å²	108.1	50%	0.503	60%	0.599	S	S	.	*	H	α-helix	trans	-61.2	-38.7	175.8	-69.4	164.7	0	0	0	111.3	I241 I242 S249	I241-I245 HydrophobicContact CG2-CD1 3.86Å; I241-I245 WeakPolarHBondContact O-CD1 3.31Å; I241-I245 VanDerWaalsContact O-CG1 3.26Å; I241-I245 WeakPolarHBondContact O-CG1 3.34Å; I241-I245 PolarHBondContact O-N 3.17Å; I242-I245 PolarHBondContact O-N 3.29Å; I245-S249 PolarHBondContact O-N 3.28Å; I245-S249 PolarHBondContact O-OG 2.81Å
246	H	74.5	Confident	64.1	Low	133 Å²	133	105.8 Å²	105.8	62%	0.616	60%	0.598	S	S	*	*	H	α-helix	trans	-74.9	-35.1	177.4	-66.4	158.8	0	0	0	113.5	I242 S243 Y244	I242-H246 WeakPolarHBondContact CG2-CE1 3.43Å; I242-H246 WeakPolarHBondContact O-CB 3.34Å; I242-H246 VanDerWaalsContact O-CG 3.27Å; I242-H246 PolarHBondContact O-N 2.59Å; I242-H246 PolarHBondContact O-ND1 3.47Å; S243-H246 CarbonylContact O-C 3.27Å; S243-H246 PolarHBondContact O-N 3.08Å; Y244-H246 VanDerWaalsContact C-N 3.29Å; Y244-H246 PolarHBondContact O-N 3.15Å
247	S	70.3	Confident	62.1	Low	91 Å²	91	108.5 Å²	108.5	64%	0.636	61%	0.614	S	S	*	*	H	α-helix	trans	-77.1	-30.6	176.3	59.9	0	0	0	0	113	S243 Y244 S249	S243-S247 WeakPolarHBondContact O-CB 3.21Å; S243-S247 PolarHBondContact O-N 3.21Å; S243-S247 PolarHBondContact O-OG 3.11Å; S243-S247 VanDerWaalsContact O-OG 3.09Å; Y244-S247 WeakPolarHBondContact CA-OG 3.41Å; Y244-S247 PolarHBondContact O-N 2.98Å; Y244-S247 PolarHBondContact O-OG 3.01Å; Y244-S247 VanDerWaalsContact O-OG 3.14Å; S247-S249 PolarHBondContact O-N 3.37Å
248	S	57.5	Low	60	Low	68 Å²	68	102.5 Å²	102.5	48%	0.476	61%	0.614	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.9	2.5	175	-58.9	0	0	0	0	113.6	Y244	Y244-S248 WeakPolarHBondContact O-CB 3.27Å; Y244-S248 PolarHBondContact O-N 3.26Å; Y244-S248 PolarHBondContact O-OG 3.02Å
249	S	48.1	Very low	57.8	Low	64 Å²	64	104.6 Å²	104.6	45%	0.448	63%	0.631	S	S	.	*	S	Bend	trans	-86	115.7	174	-69.5	0	0	0	0	110.2	I245 S247 C251	I245-S249 PolarHBondContact O-N 3.28Å; I245-S249 PolarHBondContact O-OG 2.81Å; S247-S249 PolarHBondContact O-N 3.37Å; S249-C251 PolarHBondContact O-N 3.4Å
250	P	53.5	Low	55.5	Low	119 Å²	119	105.9 Å²	105.9	77%	0.773	65%	0.65	S	S	*	*			trans	-68.5	130	-172.4	26.4	-34.3	0	0	0	112.4	V252	P250-V252 PolarHBondContact O-N 2.85Å; P250-V252 VanDerWaalsContact O-N 3.17Å
251	C	34	Very low	53.7	Low	116 Å²	116	106 Å²	106	78%	0.784	66%	0.657	S	S	*	*			trans	-71.3	105.8	174.4	-71.6	0	0	0	0	110.7	S249 M253	S249-C251 PolarHBondContact O-N 3.4Å; C251-M253 PolarHBondContact O-N 3.49Å
252	V	42.6	Very low	51.8	Low	138 Å²	138	108 Å²	108	84%	0.836	67%	0.669	S	S	*	*			trans	-73.3	113.3	173.5	-178.1	0	0	0	0	109.4	P250	P250-V252 PolarHBondContact O-N 2.85Å; P250-V252 VanDerWaalsContact O-N 3.17Å
253	M	43.7	Very low	49.7	Very low	141 Å²	141	114.1 Å²	114.1	70%	0.695	69%	0.687	S	S	*	*			trans	-67.8	142.9	175.8	-73.2	-81.1	100.3	0	0	112.1	C251	C251-M253 PolarHBondContact O-N 3.49Å
254	P	45	Very low	48	Very low	125 Å²	125	118.1 Å²	118.1	81%	0.812	70%	0.7	S	S	*	*			trans	-82.9	117.9	169.7	32.3	-31	0	0	0	111
255	S	37.9	Very low	46.3	Very low	101 Å²	101	118.1 Å²	118.1	71%	0.706	71%	0.706	S	S	*	*			trans	-114.5	113.2	-174.9	-58.9	0	0	0	0	113
256	S	41.9	Very low	44.6	Very low	71 Å²	71	119.7 Å²	119.7	50%	0.497	72%	0.72	S	S	.	*			trans	-172.3	132.9	155.7	58.3	0	0	0	0	112.8
257	S	43.4	Very low	42.7	Very low	107 Å²	107	118.4 Å²	118.4	75%	0.748	73%	0.726	S	S	*	*			trans	31	135.2	147.6	60.8	0	0	0	0	121.3
258	G	36.1	Very low	41.5	Very low	73 Å²	73	119.8 Å²	119.8	75%	0.753	73%	0.733	S	S	*	*			cis	151.3	161.7	2	0	0	0	0	0	112.4
259	C	36.3	Very low	40.5	Very low	124 Å²	124	122.5 Å²	122.5	84%	0.838	75%	0.747	S	S	*	*			trans	61.1	104.5	170.2	-66.5	0	0	0	0	120.1
260	S	35.2	Very low	40.1	Very low	119 Å²	119	126.9 Å²	126.9	83%	0.832	76%	0.764	S	S	*	*			trans	70.4	141.8	136.3	-56.7	0	0	0	0	121.8
261	P	43.6	Very low	39.4	Very low	123 Å²	123	126 Å²	126	80%	0.799	76%	0.761	S	S	*	*			trans	-99.3	158.8	176.2	39	-34.2	0	0	0	113.3
262	D	38.1	Very low	39.5	Very low	147 Å²	147	127.6 Å²	127.6	79%	0.786	76%	0.762	S	S	*	*				-163.5	157.3	120.1	-143.7	-12.2	0	0	0	114.6
263	R	36.9	Very low	39.5	Very low	205 Å²	205	125.1 Å²	125.1	77%	0.774	76%	0.755	S	S	*	*			trans	57.1	90.9	142.2	-146.5	160.3	-173.6	154.7	-0.4	123.8
264	M	40.2	Very low	39.2	Very low	152 Å²	152	124.2 Å²	124.2	75%	0.749	76%	0.763	S	S	*	*				52.4	131.7	119.5	-71.2	-170.3	169.7	0	0	124.2
265	Q	38.2	Very low	38.8	Very low	166 Å²	166	121.8 Å²	121.8	78%	0.776	76%	0.761	S	S	*	*			trans	67.7	140.1	144.2	-60.1	168.7	6.6	0	0	117
266	T	39.4	Very low	38.9	Very low	130 Å²	130	125 Å²	125	80%	0.798	77%	0.765	S	S	*	*			cis	-155.2	170.8	37.8	44.1	0	0	0	0	112.9
267	S	34.2	Very low	38.7	Very low	106 Å²	106	129.4 Å²	129.4	74%	0.741	78%	0.778	S	S	*	*			trans	-100.6	167.5	162.2	-43.1	0	0	0	0	110.2
268	P	45.6	Very low	38.2	Very low	120 Å²	120	132.6 Å²	132.6	78%	0.779	78%	0.783	S	S	*	*				-134.8	176.5	63.7	27.3	-3.4	0	0	0	112.6
269	V	36	Very low	38.4	Very low	125 Å²	125	133.1 Å²	133.1	76%	0.758	78%	0.78	S	S	*	*			cis	78.3	120.4	34	-176.2	0	0	0	0	115.5
270	L	40.2	Very low	38.6	Very low	156 Å²	156	133.3 Å²	133.3	82%	0.817	78%	0.777	S	S	*	*			trans	154.5	111.3	156.2	-85.5	168.1	0	0	0	107
271	S	39.6	Very low	38.8	Very low	100 Å²	100	137 Å²	137	70%	0.699	78%	0.782	S	S	*	*				80.8	143.2	83.4	-70.3	0	0	0	0	114.2
272	D	35.8	Very low	38.6	Very low	151 Å²	151	134.5 Å²	134.5	81%	0.807	78%	0.778	S	S	*	*			cis	-167.3	-175.9	-22.7	-149.4	-35.2	0	0	0	108.8
273	A	41.6	Very low	38.7	Very low	85 Å²	85	132.6 Å²	132.6	70%	0.702	78%	0.782	S	S	*	*			trans	72.5	159.9	169	0	0	0	0	0	118.3
274	S	38.2	Very low	38.8	Very low	123 Å²	123	127 Å²	127	86%	0.86	78%	0.78	S	S	*	*			cis	170.4	131.5	-41.8	-97.6	0	0	0	0	108.4
275	G	37.1	Very low	38.7	Very low	74 Å²	74	125.3 Å²	125.3	76%	0.763	78%	0.783	S	S	*	*			trans	150.5	88.9	165.8	0	0	0	0	0	120.2
276	Q	38.7	Very low	38.6	Very low	168 Å²	168	126.1 Å²	126.1	79%	0.785	79%	0.787	S	S	*	*			trans	48.8	136.6	131.5	-66.4	-171.7	6.9	0	0	124.7
277	Q	37.5	Very low	38.6	Very low	164 Å²	164	126.2 Å²	126.2	77%	0.766	79%	0.787	S	S	*	*			trans	72.7	157.3	144.5	-69.6	176.6	53.1	0	0	120.3
278	M	34.1	Very low	38.7	Very low	174 Å²	174	127.3 Å²	127.3	86%	0.857	79%	0.789	S	S	*	*			cis	-173.4	117.6	-42.4	-106.7	-92.6	-77.4	0	0	110.6
279	A	40.2	Very low	38.4	Very low	84 Å²	84	133.5 Å²	133.5	69%	0.694	80%	0.797	S	S	*	*			trans	-170.7	134	163.7	0	0	0	0	0	107.8
280	T	40.5	Very low	38.4	Very low	127 Å²	127	132.9 Å²	132.9	78%	0.779	80%	0.798	S	S	*	*			cis	62.6	113.6	49.2	68.9	0	0	0	0	112.8
281	E	39.7	Very low	38.3	Very low	198 Å²	198	137 Å²	137	93%	0.925	80%	0.803	S	S	*	*			cis	-124.6	-179.6	14	-71.2	-152.3	74.5	0	0	112.5
282	G	38.4	Very low	38.2	Very low	70 Å²	70	143.6 Å²	143.6	72%	0.722	81%	0.813	S	S	*	*			cis	-170.3	-133.2	12.8	0	0	0	0	0	115.6
283	A	40.4	Very low	38.4	Very low	106 Å²	106	145.2 Å²	145.2	88%	0.876	81%	0.812	S	S	*	*			trans	-143.9	159.2	-162.8	0	0	0	0	0	112.4
284	A	38.9	Very low	38	Very low	89 Å²	89	151.7 Å²	151.7	74%	0.736	82%	0.819	S	S	*	*			cis	-144.5	139.6	-1.5	0	0	0	0	0	109.2
285	S	38.3	Very low	37.6	Very low	116 Å²	116	155.9 Å²	155.9	81%	0.811	82%	0.817	S	S	*	*				66.4	138.4	96.3	-144.3	0	0	0	0	114.6
286	E	36	Very low	37.3	Very low	182 Å²	182	160 Å²	160	85%	0.85	82%	0.817	S	S	*	*			cis	-140.6	143	25.1	-172.1	-176.7	145.8	0	0	112.1
287	V	39.7	Very low	37.1	Very low	132 Å²	132	158.1 Å²	158.1	80%	0.8	82%	0.819	S	S	*	*			trans	-131	141.4	-173.3	172.4	0	0	0	0	112.7	R289	V287-R289 PolarHBondContact O-N 3.25Å
288	T	36.6	Very low	37.2	Very low	129 Å²	129	159.8 Å²	159.8	79%	0.791	82%	0.824	S	S	*	*			trans	-55.4	127	179.5	47.4	0	0	0	0	114.2
289	R	39.2	Very low	37	Very low	251 Å²	251	160.3 Å²	160.3	95%	0.947	82%	0.824	S	S	*	*			trans	-98	108.7	176	-147.4	174.5	-165.2	-179.5	5.3	112.5	V287	V287-R289 PolarHBondContact O-N 3.25Å
290	S	36.2	Very low	36.7	Very low	111 Å²	111	164.3 Å²	164.3	78%	0.776	83%	0.833	S	S	*	*			trans	-64.5	129.6	179.7	-63.2	0	0	0	0	113.5
291	R	37.8	Very low	36.4	Very low	243 Å²	243	166.4 Å²	166.4	92%	0.917	83%	0.834	S	S	*	*			trans	-101.5	70.8	171.2	-154.5	176.6	-164	-169.6	5.7	111.5	K293	R291-K293 PolarHBondContact O-N 2.91Å; R291-K293 VanDerWaalsContact O-N 3.16Å
292	R	37.1	Very low	36.1	Very low	238 Å²	238	163.4 Å²	163.4	90%	0.898	83%	0.829	S	S	*	*			trans	-80	87.9	-175.9	-163	178.5	-166.5	176.4	4	110.9
293	K	39.7	Very low	35.9	Very low	185 Å²	185	165.3 Å²	165.3	80%	0.804	83%	0.831	S	S	*	*			trans	-69	129.6	168.8	-90.2	-165.4	172.3	-170.5	0	109.6	R291	R291-K293 PolarHBondContact O-N 2.91Å; R291-K293 VanDerWaalsContact O-N 3.16Å
294	R	33.1	Very low	35.4	Very low	221 Å²	221	169.8 Å²	169.8	83%	0.834	83%	0.834	S	S	*	*			trans	-102.1	127	175	-172	-169.5	-60	178.4	0.9	107.3
295	Y	30.5	Very low	35.5	Very low	212 Å²	212	174.4 Å²	174.4	83%	0.831	84%	0.84	S	S	*	*			trans	-122.8	142.9	166.5	-109.1	-101.6	0	0	0	108
296	Q	30.9	Very low	35.6	Very low	161 Å²	161	178 Å²	178	75%	0.752	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-103.4	140.5	178.5	-55.3	-139.1	101.5	0	0	109.3	K298	Q296-K298 PolarHBondContact O-N 2.77Å
297	P	34.5	Very low	35.7	Very low	127 Å²	127	176.1 Å²	176.1	83%	0.825	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-67.9	123.7	160.1	30.3	-30.7	0	0	0	108
298	K	40.2	Very low	35.5	Very low	200 Å²	200	176.4 Å²	176.4	87%	0.87	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-78.9	140.2	157.4	-79.3	-172.8	172.6	-173.4	0	107.2	Q296	Q296-K298 PolarHBondContact O-N 2.77Å
299	Q	28.9	Very low	35.7	Very low	184 Å²	184	175.6 Å²	175.6	86%	0.86	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-74.2	142.6	162.6	-73.1	-177.8	-53.2	0	0	109.6
300	L	34.3	Very low	35.9	Very low	169 Å²	169	171 Å²	171	89%	0.885	83%	0.826	S	S	*	*			trans	-149.1	122.4	158.3	-115	158.2	0	0	0	104.7
301	E	34.5	Very low	36.1	Very low	171 Å²	171	172.9 Å²	172.9	80%	0.799	83%	0.827	S	S	*	*			trans	-88.9	-173.4	176.3	-62.5	171.7	121.9	0	0	109.8
302	V	34.1	Very low	36.4	Very low	135 Å²	135	168 Å²	168	82%	0.818	82%	0.815	S	S	*	*			trans	99.1	139.4	165.8	-172.6	0	0	0	0	116.4
303	S	33.6	Very low	36.5	Very low	110 Å²	110	163.1 Å²	163.1	77%	0.769	80%	0.802	S	S	*	*			trans	67.3	115	173.4	32.7	0	0	0	0	118.1
304	E	30.5	Very low	36.5	Very low	199 Å²	199	161.9 Å²	161.9	93%	0.93	80%	0.803	S	S	*	*			trans	-101.2	80.6	169.4	-63.4	177.2	114.4	0	0	109.9
305	E	41	Very low	36.9	Very low	186 Å²	186	154.9 Å²	154.9	87%	0.869	79%	0.793	S	S	*	*			trans	-163.8	92.7	175.4	-117	163	-158.3	0	0	110.5
306	E	38.5	Very low	37.4	Very low	193 Å²	193	150.9 Å²	150.9	90%	0.902	79%	0.786	S	S	*	*			trans	175.6	57.9	163.8	-106.5	179.9	-176.3	0	0	111.3
307	V	38.9	Very low	37.7	Very low	142 Å²	142	150.4 Å²	150.4	86%	0.861	79%	0.788	S	S	*	*			trans	-134.4	51	175.6	-160.4	0	0	0	0	112.1
308	N	35.7	Very low	37.8	Very low	138 Å²	138	149 Å²	149	74%	0.738	78%	0.781	S	S	*	*	S	Bend	trans	-135.5	-160	162.5	-84.8	-33.7	0	0	0	108.8	N310	N308-N310 PolarHBondContact O-N 3.19Å
309	D	40.8	Very low	37.6	Very low	112 Å²	112	146.9 Å²	146.9	60%	0.599	78%	0.779	S	S	*	*	S	Bend	trans	70.1	-29.1	166.6	-48.3	-11.5	0	0	0	117.5	L311	D309-L311 PolarHBondContact O-N 3.33Å; D309-L311 VanDerWaalsContact O-N 3.13Å
310	N	42.2	Very low	38.1	Very low	153 Å²	153	145 Å²	145	82%	0.818	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	18.3	-177.4	-84.4	-96.1	0	0	0	115.2	N308	N308-N310 PolarHBondContact O-N 3.19Å
311	L	42.1	Very low	38.1	Very low	152 Å²	152	142.5 Å²	142.5	80%	0.796	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.2	-17.1	178	-168.8	55	0	0	0	115	D309	D309-L311 PolarHBondContact O-N 3.33Å; D309-L311 VanDerWaalsContact O-N 3.13Å
312	E	43.2	Very low	38.2	Very low	141 Å²	141	142.4 Å²	142.4	66%	0.659	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-20.2	179.2	-71.1	175.7	128.6	0	0	113	L314 A315	E312-L314 PolarHBondContact O-N 3.06Å; E312-A315 PolarHBondContact O-N 2.86Å
313	Q	40.1	Very low	38.4	Very low	134 Å²	134	139.3 Å²	139.3	63%	0.626	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-3.7	178.1	-64.3	-177.3	5.4	0	0	115.2	L317	Q313-L317 WeakPolarHBondContact O-CD1 3.29Å
314	L	39.8	Very low	38.7	Very low	159 Å²	159	137.3 Å²	137.3	83%	0.832	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.8	2.7	173.4	-67.4	178.3	0	0	0	113.7	E312	E312-L314 PolarHBondContact O-N 3.06Å
315	A	41.7	Very low	39.2	Very low	74 Å²	74	134.5 Å²	134.5	61%	0.612	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.9	-23.5	176.9	0	0	0	0	0	113.5	E312	E312-A315 PolarHBondContact O-N 2.86Å
316	N	39	Very low	39.5	Very low	129 Å²	129	132.1 Å²	132.1	69%	0.69	76%	0.759	S	S	*	*	S	Bend	trans	-106	6.6	-169.1	-65.2	-3.7	0	0	0	114.7	S318	N316-S318 VanDerWaalsContact C-N 3.3Å; N316-S318 PolarHBondContact O-N 3.08Å; N316-S318 VanDerWaalsContact O-N 3.15Å
317	L	38.8	Very low	39.7	Very low	150 Å²	150	129.5 Å²	129.5	79%	0.785	75%	0.751	S	S	*	*			trans	-89.8	56	-177.8	-67.7	177.8	0	0	0	113	Q313	Q313-L317 WeakPolarHBondContact O-CD1 3.29Å
318	S	37	Very low	40	Very low	99 Å²	99	129.8 Å²	129.8	69%	0.692	75%	0.747	S	S	*	*	S	Bend	trans	-159.1	56.4	167.9	66.5	0	0	0	0	112.6	N316	N316-S318 VanDerWaalsContact C-N 3.3Å; N316-S318 PolarHBondContact O-N 3.08Å; N316-S318 VanDerWaalsContact O-N 3.15Å
319	N	35	Very low	40.6	Very low	154 Å²	154	130.3 Å²	130.3	82%	0.824	75%	0.747	S	S	*	*	S	Bend	trans	-177.1	162.2	153.3	-94.8	-16.2	0	0	0	110.6
320	V	40.4	Very low	40.7	Very low	146 Å²	146	132.8 Å²	132.8	89%	0.885	76%	0.755	S	S	*	*			trans	76	128.2	177.5	-167.6	0	0	0	0	115.9
321	S	33.7	Very low	41.2	Very low	115 Å²	115	132.5 Å²	132.5	80%	0.804	75%	0.751	S	S	*	*			trans	-78	162.1	-178.2	-36	0	0	0	0	113.9
322	D	36.9	Very low	41.6	Very low	169 Å²	169	133.6 Å²	133.6	90%	0.904	75%	0.752	S	S	*	*				-161.4	169.2	120	-149.7	-9.7	0	0	0	111
323	G	38.6	Very low	42	Very low	70 Å²	70	132.3 Å²	132.3	72%	0.722	75%	0.749	S	S	*	*			trans	-100.5	-162.2	177.8	0	0	0	0	0	115
324	G	38.1	Very low	42.7	Very low	68 Å²	68	133.1 Å²	133.1	70%	0.701	76%	0.758	S	S	*	*			trans	122.4	82.8	168.5	0	0	0	0	0	117.2
325	D	42.5	Very low	43.6	Very low	141 Å²	141	133.9 Å²	133.9	75%	0.754	76%	0.757	S	S	*	*			trans	34.7	124.8	135.8	-42	-31.3	0	0	0	121.8
326	N	46.6	Very low	44.3	Very low	136 Å²	136	138.1 Å²	138.1	73%	0.727	77%	0.77	S	S	*	*				178.7	145.9	91.9	-95.5	-57.8	0	0	0	116.2
327	D	43.1	Very low	45.1	Very low	138 Å²	138	135.6 Å²	135.6	74%	0.738	77%	0.774	S	S	*	*			trans	70.6	132.5	147.6	-61.7	-32.8	0	0	0	124.7
328	N	46	Very low	45.9	Very low	147 Å²	147	136.3 Å²	136.3	79%	0.786	78%	0.779	S	S	*	*			trans	71.8	136.1	158.1	-78.1	9.8	0	0	0	120.8
329	M	46.9	Very low	46.5	Very low	150 Å²	150	139.8 Å²	139.8	74%	0.739	78%	0.784	S	S	*	*			cis	-169	168.5	-18	-154.2	171	169.1	0	0	109.8
330	E	43.2	Very low	47.4	Very low	164 Å²	164	140.1 Å²	140.1	77%	0.766	79%	0.786	S	S	*	*			trans	78.9	105.5	168	-59.7	170.9	-175.2	0	0	114.3
331	M	53	Low	47.9	Very low	147 Å²	147	139.5 Å²	139.5	72%	0.724	78%	0.777	S	S	*	*				70.6	138.9	86.4	-59.1	-91	-50.7	0	0	111.6
332	E	51.2	Low	48.8	Very low	174 Å²	174	141.2 Å²	141.2	81%	0.813	78%	0.778	S	S	*	*			cis	-145.3	159.7	16.9	-53.2	164.1	136.5	0	0	108
333	D	50.1	Low	49.6	Very low	114 Å²	114	140.7 Å²	140.7	61%	0.61	78%	0.775	S	S	*	*			cis	-166.7	-164.5	-30.4	-82.6	-29.5	0	0	0	108.1
334	D	56	Low	50.2	Low	152 Å²	152	145 Å²	145	81%	0.813	78%	0.781	S	S	*	*			trans	69.6	147.9	173.9	-51.5	-28.3	0	0	0	119.3
335	E	58.1	Low	50.9	Low	175 Å²	175	150.4 Å²	150.4	82%	0.818	79%	0.788	S	S	*	*			cis	-155.8	159	-10.4	-120.5	-179.8	-177.8	0	0	110.8
336	D	55.8	Low	51.2	Low	163 Å²	163	152.3 Å²	152.3	87%	0.872	79%	0.793	S	S	*	*			trans	-25	156.5	-178.8	-53.7	-30.3	0	0	0	124.1
337	G	55.5	Low	51.3	Low	76 Å²	76	152.9 Å²	152.9	78%	0.784	80%	0.796	S	S	*	*			trans	166.1	88.1	155.6	0	0	0	0	0	120.3
338	D	55.9	Low	51.7	Low	165 Å²	165	154.3 Å²	154.3	88%	0.882	80%	0.804	S	S	*	*			trans	43.6	118.9	160.6	-72.6	-23.2	0	0	0	122.4
339	E	51	Low	51.6	Low	172 Å²	172	156.8 Å²	156.8	80%	0.804	81%	0.81	S	S	*	*			trans	-80.5	148.3	157.2	-58.8	164.4	144.3	0	0	110
340	N	52.3	Low	52	Low	160 Å²	160	159.2 Å²	159.2	86%	0.856	82%	0.82	S	S	*	*			trans	-156.7	116.1	153.6	-98.2	-80.5	0	0	0	110.2
341	D	52	Low	52.1	Low	133 Å²	133	159.1 Å²	159.1	71%	0.711	83%	0.825	S	S	*	*			trans	-71.8	168	-174.2	-51.3	-60	0	0	0	115.7
342	D	52.7	Low	52.1	Low	151 Å²	151	160.3 Å²	160.3	81%	0.807	83%	0.834	S	S	*	*			trans	77.8	160.5	136.2	-71.2	-11.1	0	0	0	124.3
343	D	53.1	Low	51.9	Low	158 Å²	158	155.3 Å²	155.3	85%	0.845	83%	0.829	S	S	*	*			trans	90.6	133.2	168.2	-65.5	-29.4	0	0	0	120.3
344	D	50.8	Low	51.4	Low	161 Å²	161	158.3 Å²	158.3	86%	0.861	85%	0.845	S	S	*	*			trans	-98.8	-144.1	-170.1	-62.8	-77.9	0	0	0	113
345	E	53.6	Low	50.9	Low	181 Å²	181	160.5 Å²	160.5	85%	0.846	85%	0.851	S	S	*	*			trans	76.4	100	-177.4	-56	-172.9	-175.6	0	0	113.9
346	E	49.1	Very low	50.1	Low	181 Å²	181	156.9 Å²	156.9	85%	0.846	85%	0.851	S	S	*	*				90.6	132.4	66.3	-79.9	-167.4	170.9	0	0	113.7
347	D	47.8	Very low	49.4	Very low	149 Å²	149	157.4 Å²	157.4	80%	0.797	85%	0.848	S	S	*	*			trans	40	115.9	164.3	-63.7	-3.2	0	0	0	121.8
348	D	52.5	Low	48.8	Very low	168 Å²	168	160.4 Å²	160.4	90%	0.898	85%	0.851	S	S	*	*				-160.3	126.7	123.5	-105.8	-28.4	0	0	0	110.8
349	E	44.1	Very low	48.1	Very low	198 Å²	198	160.4 Å²	160.4	93%	0.925	85%	0.85	S	S	*	*			trans	-95.3	106.2	174	-72.5	-172.6	158	0	0	110.5
350	E	53.8	Low	47.4	Very low	202 Å²	202	160.6 Å²	160.6	94%	0.944	85%	0.85	S	S	*	*			trans	-128.2	149.1	163.1	-72.4	-154.4	145.4	0	0	113.4
351	D	46.5	Very low	46.5	Very low	161 Å²	161	156.7 Å²	156.7	86%	0.861	84%	0.84	S	S	*	*			trans	-98.6	119.5	-160.9	170.9	35.6	0	0	0	112.2
352	D	53.1	Low	45.7	Very low	173 Å²	173	156.2 Å²	156.2	93%	0.925	84%	0.842	S	S	*	*			trans	-161.5	131.2	170.9	-124.1	-26	0	0	0	113.3
353	G	46.6	Very low	44.7	Very low	69 Å²	69	154.7 Å²	154.7	71%	0.711	84%	0.844	S	S	*	*			trans	111.6	66.1	155.7	0	0	0	0	0	121	E355	G353-E355 VanDerWaalsContact C-N 3.32Å; G353-E355 PolarHBondContact O-N 3.35Å
354	D	39.3	Very low	43.8	Very low	177 Å²	177	152 Å²	152	95%	0.947	84%	0.836	S	S	*	*			trans	-65.1	55.4	173.4	-85.4	-46.3	0	0	0	116.6
355	E	45.8	Very low	43.5	Very low	198 Å²	198	151.1 Å²	151.1	93%	0.925	83%	0.83	S	S	*	*			trans	-132	65.8	174.7	-72.5	-151.7	162.5	0	0	115.7	G353	G353-E355 VanDerWaalsContact C-N 3.32Å; G353-E355 PolarHBondContact O-N 3.35Å
356	A	40.9	Very low	43.3	Very low	99 Å²	99	146.8 Å²	146.8	82%	0.818	82%	0.818	S	S	*	*	S	Bend	trans	-138.2	-34	171.8	0	0	0	0	0	117.1
357	E	40.4	Very low	43.5	Very low	174 Å²	174	144.3 Å²	144.3	81%	0.813	81%	0.81	S	S	*	*	S	Bend	trans	-91.4	-3	-159.6	-135	-171.1	168.7	0	0	116.6	L359	E357-L359 VanDerWaalsContact C-N 3.28Å; E357-L359 PolarHBondContact O-N 2.75Å; E357-L359 VanDerWaalsContact O-N 3.15Å
358	V	43.2	Very low	44.2	Very low	139 Å²	139	139.2 Å²	139.2	84%	0.842	79%	0.793	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	11.3	-166.7	-170.4	0	0	0	0	114.4
359	L	42	Very low	44.6	Very low	164 Å²	164	135.2 Å²	135.2	86%	0.859	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123	-0.2	178.5	-75.3	178.6	0	0	0	116.9	E357	E357-L359 VanDerWaalsContact C-N 3.28Å; E357-L359 PolarHBondContact O-N 2.75Å; E357-L359 VanDerWaalsContact O-N 3.15Å
360	Q	36.7	Very low	45.9	Very low	176 Å²	176	130.8 Å²	130.8	82%	0.822	75%	0.751	S	S	*	*	S	Bend	trans	-97.6	-9.9	175.3	-61	-167.5	13.3	0	0	114.1	T362	Q360-T362 VanDerWaalsContact C-N 3.31Å; Q360-T362 PolarHBondContact O-N 3.17Å
361	A	32.6	Very low	46.8	Very low	78 Å²	78	127.9 Å²	127.9	65%	0.645	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	41.6	-172.3	0	0	0	0	0	116
362	T	35.8	Very low	47.7	Very low	123 Å²	123	124.2 Å²	124.2	76%	0.755	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.1	18.4	174.7	53.2	0	0	0	0	115.2	Q360 C364	Q360-T362 VanDerWaalsContact C-N 3.31Å; Q360-T362 PolarHBondContact O-N 3.17Å; T362-C364 PolarHBondContact O-N 2.75Å
363	S	31.9	Very low	48.5	Very low	119 Å²	119	121 Å²	121	83%	0.832	70%	0.697	S	S	*	*			trans	-73	65.1	171.8	-164.8	0	0	0	0	112.7
364	C	33.3	Very low	49.9	Very low	102 Å²	102	123.5 Å²	123.5	69%	0.689	69%	0.688	S	S	*	*			trans	-128.5	45.9	-175	-68.5	0	0	0	0	113.2	T362	T362-C364 PolarHBondContact O-N 2.75Å
365	I	45.2	Very low	51.6	Low	142 Å²	142	119 Å²	119	73%	0.728	66%	0.662	S	S	*	*	S	Bend	trans	-125.3	123.6	161.8	-58	-179.8	0	0	0	107.4	N367	I365-N367 PolarHBondContact O-N 2.9Å
366	P	49.3	Very low	52.7	Low	91 Å²	91	112.4 Å²	112.4	59%	0.591	63%	0.632	S	S	*	*			trans	-71.7	126.1	-177.5	28.5	-33.6	0	0	0	110.9	G368 D369	P366-G368 PolarHBondContact O-N 3.36Å; P366-D369 PolarHBondContact O-N 3.2Å
367	N	53	Low	54.2	Low	128 Å²	128	114.2 Å²	114.2	68%	0.684	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52	-17.4	-179	-68.7	-36.1	0	0	0	115.2	I365 D369 Q371	I365-N367 PolarHBondContact O-N 2.9Å; N367-D369 VanDerWaalsContact C-N 3.34Å; N367-D369 PolarHBondContact O-N 3.45Å; N367-Q371 PolarHBondContact O-N 2.98Å
368	G	62.2	Low	56.2	Low	42 Å²	42	112 Å²	112	43%	0.433	61%	0.611	S	S	.	*	H	α-helix	trans	-62.6	-32.9	173	0	0	0	0	0	114.3	P366 Q372	P366-G368 PolarHBondContact O-N 3.36Å; G368-Q372 WeakPolarHBondContact O-CB 3.43Å; G368-Q372 PolarHBondContact O-N 2.98Å
369	D	61.7	Low	57.6	Low	85 Å²	85	109.2 Å²	109.2	46%	0.455	59%	0.591	S	S	.	*	H	α-helix	trans	-70	-37	179.9	-81	-31.3	0	0	0	111.8	P366 N367 Q372 L373	P366-D369 PolarHBondContact O-N 3.2Å; N367-D369 VanDerWaalsContact C-N 3.34Å; N367-D369 PolarHBondContact O-N 3.45Å; D369-Q372 PolarHBondContact O-N 3.41Å; D369-L373 WeakPolarHBondContact O-CB 3.5Å; D369-L373 PolarHBondContact O-N 3.25Å
370	E	69.9	Low	59.3	Low	104 Å²	104	105.9 Å²	105.9	49%	0.486	57%	0.574	S	S	.	*	H	α-helix	trans	-70.3	-43.2	175.7	-162.7	-162.9	126.8	0	0	111.8	Q372 L373 K374	E370-Q372 PolarHBondContact O-N 2.97Å; E370-L373 PolarHBondContact O-N 3.42Å; E370-K374 WeakPolarHBondContact O-CB 3.43Å; E370-K374 WeakPolarHBondContact O-CG 3.47Å; E370-K374 PolarHBondContact O-N 2.86Å; E370-K374 WeakPolarHBondContact OE1-CE 3.28Å; E370-K374 IonicContact OE1-NZ 2.82Å; E370-K374 PolarHBondContact OE1-NZ 3.38Å
371	Q	72.6	Confident	61.3	Low	141 Å²	141	104 Å²	104	66%	0.659	56%	0.563	S	S	*	*	H	α-helix	trans	-58.8	-39.8	172.7	-72.3	-174	-4.6	0	0	111.6	N367 K374 Q375	N367-Q371 PolarHBondContact O-N 2.98Å; Q371-K374 PolarHBondContact O-N 3.24Å; Q371-Q375 WeakPolarHBondContact O-CB 3.19Å; Q371-Q375 PolarHBondContact O-N 3.26Å
372	Q	65.9	Low	63.5	Low	84 Å²	84	104.7 Å²	104.7	39%	0.393	56%	0.556	S	S	.	*	H	α-helix	trans	-71.6	-33.6	178.6	-163.3	167.8	104.6	0	0	112.4	G368 D369 E370 Q375 M376	G368-Q372 WeakPolarHBondContact O-CB 3.43Å; G368-Q372 PolarHBondContact O-N 2.98Å; D369-Q372 PolarHBondContact O-N 3.41Å; E370-Q372 PolarHBondContact O-N 2.97Å; Q372-Q375 PolarHBondContact O-N 2.95Å; Q372-M376 WeakPolarHBondContact O-CG 3.45Å; Q372-M376 PolarHBondContact O-N 3.43Å
373	L	70.5	Confident	65.4	Low	107 Å²	107	102 Å²	102	56%	0.56	54%	0.536	S	S	*	.	H	α-helix	trans	-66.5	-45	170.7	-176.5	61	0	0	0	111.7	D369 E370 Q375 M376 Q377	D369-L373 WeakPolarHBondContact O-CB 3.5Å; D369-L373 PolarHBondContact O-N 3.25Å; E370-L373 PolarHBondContact O-N 3.42Å; L373-Q375 VanDerWaalsContact C-N 3.3Å; L373-Q375 PolarHBondContact O-N 3.29Å; L373-M376 HydrophobicContact CD1-CE 4.11Å; L373-M376 PolarHBondContact O-N 2.96Å; L373-Q377 WeakPolarHBondContact O-CB 3.29Å; L373-Q377 PolarHBondContact O-N 3.14Å
374	K	76.2	Confident	67.3	Low	120 Å²	120	101.8 Å²	101.8	52%	0.522	52%	0.522	S	S	.	.	H	α-helix	trans	-57.8	-41.7	172.7	-76.6	169.2	167.7	169.1	0	111.5	E370 Q371 Q377 K378	E370-K374 WeakPolarHBondContact O-CB 3.43Å; E370-K374 WeakPolarHBondContact O-CG 3.47Å; E370-K374 PolarHBondContact O-N 2.86Å; E370-K374 WeakPolarHBondContact OE1-CE 3.28Å; E370-K374 IonicContact OE1-NZ 2.82Å; E370-K374 PolarHBondContact OE1-NZ 3.38Å; Q371-K374 PolarHBondContact O-N 3.24Å; K374-Q377 PolarHBondContact O-N 2.89Å; K374-K378 WeakPolarHBondContact O-CB 3.35Å; K374-K378 PolarHBondContact O-N 2.96Å
375	Q	75.1	Confident	69.7	Low	83 Å²	83	104 Å²	104	39%	0.388	52%	0.516	S	S	.	.	H	α-helix	trans	-67.2	-44.9	175.4	-176.4	54.7	43.3	0	0	112.2	Q371 Q372 L373 Q377 K378 D379	Q371-Q375 WeakPolarHBondContact O-CB 3.19Å; Q371-Q375 PolarHBondContact O-N 3.26Å; Q372-Q375 PolarHBondContact O-N 2.95Å; L373-Q375 VanDerWaalsContact C-N 3.3Å; L373-Q375 PolarHBondContact O-N 3.29Å; Q375-Q377 VanDerWaalsContact C-N 3.28Å; Q375-Q377 PolarHBondContact O-N 3.19Å; Q375-K378 WeakPolarHBondContact O-CB 3.49Å; Q375-K378 PolarHBondContact O-N 2.96Å; Q375-K378 VanDerWaalsContact O-N 3.1Å; Q375-D379 PolarHBondContact NE2-OD1 3.12Å; Q375-D379 PolarHBondContact NE2-OD2 3.47Å; Q375-D379 PolarHBondContact O-N 2.95Å
376	M	67.6	Low	71.1	Confident	59 Å²	59	105.8 Å²	105.8	29%	0.291	51%	0.513	S	S	.	.	H	α-helix	trans	-60.9	-36.1	174.5	-73.1	-175.6	-61.8	0	0	112.5	Q372 L373 D379 L380	Q372-M376 WeakPolarHBondContact O-CG 3.45Å; Q372-M376 PolarHBondContact O-N 3.43Å; L373-M376 HydrophobicContact CD1-CE 4.11Å; L373-M376 PolarHBondContact O-N 2.96Å; M376-D379 PolarHBondContact O-N 3.5Å; M376-L380 VanDerWaalsContact O-CB 3.32Å; M376-L380 WeakPolarHBondContact O-CB 3.39Å; M376-L380 PolarHBondContact O-N 3.38Å
377	Q	73.9	Confident	72.3	Confident	138 Å²	138	107.4 Å²	107.4	65%	0.645	51%	0.509	S	S	*	.	H	α-helix	trans	-66.1	-39.5	174.1	-171.9	178	5.7	0	0	112	L373 K374 Q375 F381	L373-Q377 WeakPolarHBondContact O-CB 3.29Å; L373-Q377 PolarHBondContact O-N 3.14Å; K374-Q377 PolarHBondContact O-N 2.89Å; Q375-Q377 VanDerWaalsContact C-N 3.28Å; Q375-Q377 PolarHBondContact O-N 3.19Å; Q377-F381 WeakPolarHBondContact O-CB 3.31Å; Q377-F381 PolarHBondContact O-N 3.44Å
378	K	81	Confident	73.7	Confident	128 Å²	128	104.9 Å²	104.9	56%	0.557	49%	0.494	S	S	*	.	H	α-helix	trans	-64.7	-44.5	174.1	-171.6	176.9	-179.3	179.1	0	111.6	K374 Q375 F381 L382	K374-K378 WeakPolarHBondContact O-CB 3.35Å; K374-K378 PolarHBondContact O-N 2.96Å; Q375-K378 WeakPolarHBondContact O-CB 3.49Å; Q375-K378 PolarHBondContact O-N 2.96Å; Q375-K378 VanDerWaalsContact O-N 3.1Å; K378-F381 WeakPolarHBondContact O-CB 3.43Å; K378-F381 PolarHBondContact O-N 3.25Å; K378-L382 HydrophobicContact CG-CD1 4.11Å; K378-L382 WeakPolarHBondContact O-CD1 3.5Å; K378-L382 PolarHBondContact O-N 3.02Å
379	D	73.6	Confident	74.5	Confident	79 Å²	79	106.6 Å²	106.6	42%	0.422	49%	0.491	S	S	.	.	H	α-helix	trans	-65.5	-42	177.8	-68	-32.2	0	0	0	112	Q375 M376 F381 L382 L383	Q375-D379 PolarHBondContact NE2-OD1 3.12Å; Q375-D379 PolarHBondContact NE2-OD2 3.47Å; Q375-D379 PolarHBondContact O-N 2.95Å; M376-D379 PolarHBondContact O-N 3.5Å; D379-F381 VanDerWaalsContact C-N 3.32Å; D379-F381 PolarHBondContact O-N 2.9Å; D379-L382 PolarHBondContact O-N 3.4Å; D379-L383 WeakPolarHBondContact O-CB 3.32Å; D379-L383 PolarHBondContact O-N 3.38Å
380	L	77.1	Confident	75	Confident	95 Å²	95	106 Å²	106	50%	0.497	49%	0.491	S	S	.	.	H	α-helix	trans	-61.4	-39.4	173.7	-177	62.4	0	0	0	111.8	M376 L383 Q384	M376-L380 VanDerWaalsContact O-CB 3.32Å; M376-L380 WeakPolarHBondContact O-CB 3.39Å; M376-L380 PolarHBondContact O-N 3.38Å; L380-L383 PolarHBondContact O-N 2.99Å; L380-Q384 WeakPolarHBondContact O-CB 3.02Å; L380-Q384 PolarHBondContact O-N 3.37Å
381	F	78.3	Confident	75.4	Confident	136 Å²	136	104.6 Å²	104.6	60%	0.596	49%	0.486	S	S	*	.	H	α-helix	trans	-66.7	-41.6	175	-176.8	-99.2	0	0	0	112.4	Q377 K378 D379 Q384 R385	Q377-F381 WeakPolarHBondContact O-CB 3.31Å; Q377-F381 PolarHBondContact O-N 3.44Å; K378-F381 WeakPolarHBondContact O-CB 3.43Å; K378-F381 PolarHBondContact O-N 3.25Å; D379-F381 VanDerWaalsContact C-N 3.32Å; D379-F381 PolarHBondContact O-N 2.9Å; F381-Q384 PolarHBondContact O-N 3.39Å; F381-R385 WeakPolarHBondContact O-CB 3.46Å; F381-R385 PolarHBondContact O-N 2.99Å
382	L	78.9	Confident	75.7	Confident	93 Å²	93	103.6 Å²	103.6	49%	0.487	48%	0.482	S	S	.	.	H	α-helix	trans	-62.6	-40.6	172.6	-92.8	86.7	0	0	0	112	K378 D379 R385 R386	K378-L382 HydrophobicContact CG-CD1 4.11Å; K378-L382 WeakPolarHBondContact O-CD1 3.5Å; K378-L382 PolarHBondContact O-N 3.02Å; D379-L382 PolarHBondContact O-N 3.4Å; L382-R385 PolarHBondContact O-N 2.92Å; L382-R386 WeakPolarHBondContact O-CG 3.38Å; L382-R386 PolarHBondContact O-N 2.83Å
383	L	75.6	Confident	76.2	Confident	67 Å²	67	102.5 Å²	102.5	35%	0.351	48%	0.476	S	S	.	.	H	α-helix	trans	-66	-43.2	177.4	-175.3	62.1	0	0	0	111.6	D379 L380 R385 R386 Y387	D379-L383 WeakPolarHBondContact O-CB 3.32Å; D379-L383 PolarHBondContact O-N 3.38Å; L380-L383 PolarHBondContact O-N 2.99Å; L383-R385 VanDerWaalsContact C-N 3.32Å; L383-R385 PolarHBondContact O-N 3.24Å; L383-R386 PolarHBondContact O-N 3.33Å; L383-Y387 WeakPolarHBondContact O-CB 3.5Å; L383-Y387 PolarHBondContact O-N 2.99Å
384	Q	73.6	Confident	76	Confident	114 Å²	114	101.2 Å²	101.2	53%	0.533	47%	0.467	S	S	.	.	H	α-helix	trans	-61.1	-41.1	173.7	-173.2	178.6	7.2	0	0	111.6	L380 F381 Y387 I388	L380-Q384 WeakPolarHBondContact O-CB 3.02Å; L380-Q384 PolarHBondContact O-N 3.37Å; F381-Q384 PolarHBondContact O-N 3.39Å; Q384-Y387 PolarHBondContact O-N 3.13Å; Q384-I388 HydrophobicContact CG-CD1 4.15Å; Q384-I388 WeakPolarHBondContact O-CG1 3.43Å; Q384-I388 PolarHBondContact O-N 3.07Å; Q384-I388 VanDerWaalsContact O-N 3.07Å
385	R	81.9	Confident	76	Confident	149 Å²	149	101.6 Å²	101.6	56%	0.562	47%	0.471	S	S	*	.	H	α-helix	trans	-61.9	-50.4	174.8	178.1	180	166.5	173.8	-1.2	111.7	F381 L382 L383 Y387 I388 E389	F381-R385 WeakPolarHBondContact O-CB 3.46Å; F381-R385 PolarHBondContact O-N 2.99Å; L382-R385 PolarHBondContact O-N 2.92Å; L383-R385 VanDerWaalsContact C-N 3.32Å; L383-R385 PolarHBondContact O-N 3.24Å; R385-Y387 VanDerWaalsContact C-N 3.26Å; R385-Y387 PolarHBondContact O-N 3.39Å; R385-I388 PolarHBondContact O-N 3.31Å; R385-I388 VanDerWaalsContact O-N 3.14Å; R385-E389 HydrophobicContact CG-CG 4.38Å; R385-E389 IonicContact CZ-OE1 3.47Å; R385-E389 VanDerWaalsContact CZ-OE1 3.26Å; R385-E389 IonicContact NE-OE1 2.7Å; R385-E389 PolarHBondContact NE-OE1 3.28Å; R385-E389 IonicContact NH2-OE1 3.73Å; R385-E389 PolarHBondContact NH2-OE1 3.41Å; R385-E389 WeakPolarHBondContact O-CG 3.41Å; R385-E389 PolarHBondContact O-N 2.96Å
386	R	76.2	Confident	76.1	Confident	178 Å²	178	103.4 Å²	103.4	67%	0.672	48%	0.478	S	S	*	.	H	α-helix	trans	-53.3	-42.8	175.6	-76.6	-76.5	-157.4	179.3	4.9	112	L382 L383 T390	L382-R386 WeakPolarHBondContact O-CG 3.38Å; L382-R386 PolarHBondContact O-N 2.83Å; L383-R386 PolarHBondContact O-N 3.33Å; R386-T390 WeakPolarHBondContact O-CB 3.49Å; R386-T390 PolarHBondContact O-N 3.44Å; R386-T390 PolarHBondContact O-OG1 3Å
387	Y	73.9	Confident	76.3	Confident	125 Å²	125	108 Å²	108	49%	0.49	49%	0.492	S	S	.	.	H	α-helix	trans	-64.9	-44	178.7	-178.9	-105.8	0	0	0	112.2	L383 Q384 R385 T390 L391 I464	L383-Y387 WeakPolarHBondContact O-CB 3.5Å; L383-Y387 PolarHBondContact O-N 2.99Å; Q384-Y387 PolarHBondContact O-N 3.13Å; R385-Y387 VanDerWaalsContact C-N 3.26Å; R385-Y387 PolarHBondContact O-N 3.39Å; Y387-T390 PolarHBondContact O-N 3.03Å; Y387-L391 HydrophobicContact CD1-CD1 3.97Å; Y387-L391 HydrophobicContact CE1-CD1 3.44Å; Y387-L391 VanDerWaalsContact CE1-CD1 3.44Å; Y387-L391 HydrophobicContact CE1-CG 4.31Å; Y387-L391 HydrophobicContact CE2-CD1 4.45Å; Y387-L391 WeakPolarHBondContact O-CG 3.24Å; Y387-L391 PolarHBondContact O-N 3.48Å; Y387-I464 HydrophobicContact CD2-CD1 4.06Å
388	I	81.9	Confident	76.2	Confident	75 Å²	75	104.3 Å²	104.3	39%	0.385	48%	0.479	S	S	.	.	H	α-helix	trans	-65	-45.2	176.5	-67.1	165.2	0	0	0	111.3	Q384 R385 T390 L391 Q392	Q384-I388 HydrophobicContact CG-CD1 4.15Å; Q384-I388 WeakPolarHBondContact O-CG1 3.43Å; Q384-I388 PolarHBondContact O-N 3.07Å; Q384-I388 VanDerWaalsContact O-N 3.07Å; R385-I388 PolarHBondContact O-N 3.31Å; R385-I388 VanDerWaalsContact O-N 3.14Å; I388-T390 VanDerWaalsContact C-N 3.3Å; I388-T390 PolarHBondContact O-N 2.96Å; I388-L391 PolarHBondContact O-N 2.88Å; I388-Q392 HydrophobicContact CG2-CG 4.38Å; I388-Q392 WeakPolarHBondContact O-CG 3.34Å; I388-Q392 PolarHBondContact O-N 2.89Å
389	E	79	Confident	75.8	Confident	78 Å²	78	101.3 Å²	101.3	36%	0.364	48%	0.478	S	S	.	.	H	α-helix	trans	-58.8	-42.3	176.4	-72	172.6	163.6	0	0	111.1	R385 Q392 E393	R385-E389 HydrophobicContact CG-CG 4.38Å; R385-E389 IonicContact CZ-OE1 3.47Å; R385-E389 VanDerWaalsContact CZ-OE1 3.26Å; R385-E389 IonicContact NE-OE1 2.7Å; R385-E389 PolarHBondContact NE-OE1 3.28Å; R385-E389 IonicContact NH2-OE1 3.73Å; R385-E389 PolarHBondContact NH2-OE1 3.41Å; R385-E389 WeakPolarHBondContact O-CG 3.41Å; R385-E389 PolarHBondContact O-N 2.96Å; E389-Q392 PolarHBondContact O-N 3.23Å; E389-E393 WeakPolarHBondContact O-CB 3.21Å; E389-E393 PolarHBondContact O-N 2.95Å
390	T	72.8	Confident	75.6	Confident	72 Å²	72	103.6 Å²	103.6	44%	0.442	49%	0.489	S	S	.	.	H	α-helix	trans	-65.4	-43	177.3	-55.3	0	0	0	0	112.1	R386 Y387 I388 H394 L460	R386-T390 WeakPolarHBondContact O-CB 3.49Å; R386-T390 PolarHBondContact O-N 3.44Å; R386-T390 PolarHBondContact O-OG1 3Å; Y387-T390 PolarHBondContact O-N 3.03Å; I388-T390 VanDerWaalsContact C-N 3.3Å; I388-T390 PolarHBondContact O-N 2.96Å; T390-H394 WeakPolarHBondContact O-CB 3.03Å; T390-H394 PolarHBondContact O-N 2.89Å; T390-L460 HydrophobicContact CG2-CD2 4.08Å
391	L	77.3	Confident	74.7	Confident	76 Å²	76	106.8 Å²	106.8	40%	0.398	50%	0.504	S	S	.	.	H	α-helix	trans	-64.8	-41.5	175.7	-76.7	177.4	0	0	0	112.6	Y387 I388 H394 Q395	Y387-L391 HydrophobicContact CD1-CD1 3.97Å; Y387-L391 HydrophobicContact CE1-CD1 3.44Å; Y387-L391 VanDerWaalsContact CE1-CD1 3.44Å; Y387-L391 HydrophobicContact CE1-CG 4.31Å; Y387-L391 HydrophobicContact CE2-CD1 4.45Å; Y387-L391 WeakPolarHBondContact O-CG 3.24Å; Y387-L391 PolarHBondContact O-N 3.48Å; I388-L391 PolarHBondContact O-N 2.88Å; L391-H394 PolarHBondContact O-N 3.37Å; L391-Q395 WeakPolarHBondContact O-CG 3.4Å; L391-Q395 PolarHBondContact O-N 2.89Å
392	Q	79.7	Confident	73.6	Confident	120 Å²	120	106.7 Å²	106.7	56%	0.561	51%	0.509	S	S	*	.	H	α-helix	trans	-66.1	-43.4	178.5	-74.1	-179.4	-0.7	0	0	111.7	I388 E389 H394 Q395 K396	I388-Q392 HydrophobicContact CG2-CG 4.38Å; I388-Q392 WeakPolarHBondContact O-CG 3.34Å; I388-Q392 PolarHBondContact O-N 2.89Å; E389-Q392 PolarHBondContact O-N 3.23Å; Q392-H394 VanDerWaalsContact C-N 3.35Å; Q392-Q395 PolarHBondContact O-N 3.1Å; Q392-K396 VanDerWaalsContact O-CB 3.29Å; Q392-K396 WeakPolarHBondContact O-CB 3.42Å; Q392-K396 PolarHBondContact O-N 2.96Å
393	E	77.1	Confident	72.1	Confident	60 Å²	60	111.1 Å²	111.1	28%	0.28	52%	0.519	S	S	.	.	H	α-helix	trans	-67.3	-35.3	176.8	179.6	60.9	-167.4	0	0	111.6	E389 K396 R397	E389-E393 WeakPolarHBondContact O-CB 3.21Å; E389-E393 PolarHBondContact O-N 2.95Å; E393-K396 PolarHBondContact O-N 3.41Å; E393-K396 WeakPolarHBondContact OE2-CD 3.47Å; E393-K396 IonicContact OE2-NZ 3.93Å; E393-K396 PolarHBondContact OE2-NZ 3.41Å; E393-R397 VanDerWaalsContact CG-NH2 3.34Å; E393-R397 VanDerWaalsContact O-CG 3.28Å; E393-R397 WeakPolarHBondContact O-CG 3.38Å; E393-R397 PolarHBondContact O-N 2.94Å; E393-R397 IonicContact OE1-CZ 3.36Å; E393-R397 IonicContact OE1-NE 3.1Å; E393-R397 PolarHBondContact OE1-NE 3.25Å; E393-R397 IonicContact OE1-NH2 2.76Å; E393-R397 PolarHBondContact OE1-NH2 3.49Å
394	H	65.8	Low	70.6	Confident	80 Å²	80	113 Å²	113	37%	0.37	54%	0.535	S	S	.	.	H	α-helix	trans	-62.9	-48.4	170.1	-178.2	92.8	0	0	0	111.9	T390 L391 Q392 K396 R397 T398	T390-H394 WeakPolarHBondContact O-CB 3.03Å; T390-H394 PolarHBondContact O-N 2.89Å; L391-H394 PolarHBondContact O-N 3.37Å; Q392-H394 VanDerWaalsContact C-N 3.35Å; H394-K396 VanDerWaalsContact C-N 3.3Å; H394-K396 PolarHBondContact O-N 3.15Å; H394-R397 PolarHBondContact O-N 3.49Å; H394-T398 PolarHBondContact O-N 3.4Å; H394-T398 PolarHBondContact O-OG1 3.17Å
395	Q	75.1	Confident	69.3	Low	128 Å²	128	112 Å²	112	60%	0.598	55%	0.546	S	S	*	.	H	α-helix	trans	-58.3	-41.4	176	-75.6	178.1	-2.8	0	0	112.2	L391 Q392 T398 A399	L391-Q395 WeakPolarHBondContact O-CG 3.4Å; L391-Q395 PolarHBondContact O-N 2.89Å; Q392-Q395 PolarHBondContact O-N 3.1Å; Q395-T398 PolarHBondContact O-N 3.29Å; Q395-A399 VanDerWaalsContact O-CB 3.31Å; Q395-A399 WeakPolarHBondContact O-CB 3.41Å; Q395-A399 PolarHBondContact O-N 3.39Å
396	K	77.9	Confident	67.4	Low	122 Å²	122	112.8 Å²	112.8	53%	0.53	56%	0.556	S	S	.	*	H	α-helix	trans	-64.8	-40.3	177.5	177.3	176.4	153	-141.4	0	112.5	Q392 E393 H394 A399 L400	Q392-K396 VanDerWaalsContact O-CB 3.29Å; Q392-K396 WeakPolarHBondContact O-CB 3.42Å; Q392-K396 PolarHBondContact O-N 2.96Å; E393-K396 PolarHBondContact O-N 3.41Å; E393-K396 WeakPolarHBondContact OE2-CD 3.47Å; E393-K396 IonicContact OE2-NZ 3.93Å; E393-K396 PolarHBondContact OE2-NZ 3.41Å; H394-K396 VanDerWaalsContact C-N 3.3Å; H394-K396 PolarHBondContact O-N 3.15Å; K396-A399 PolarHBondContact O-N 2.99Å; K396-L400 WeakPolarHBondContact O-CG 3.39Å; K396-L400 PolarHBondContact O-N 2.77Å; K396-L400 VanDerWaalsContact O-N 3.11Å
397	R	71.9	Confident	66	Low	154 Å²	154	110.3 Å²	110.3	58%	0.581	56%	0.561	S	S	*	*	H	α-helix	trans	-65.1	-46.7	173.5	-71.4	169.7	-169.1	-174.7	4.7	111.6	E393 H394 A399 L400 M401	E393-R397 VanDerWaalsContact CG-NH2 3.34Å; E393-R397 VanDerWaalsContact O-CG 3.28Å; E393-R397 WeakPolarHBondContact O-CG 3.38Å; E393-R397 PolarHBondContact O-N 2.94Å; E393-R397 IonicContact OE1-CZ 3.36Å; E393-R397 IonicContact OE1-NE 3.1Å; E393-R397 PolarHBondContact OE1-NE 3.25Å; E393-R397 IonicContact OE1-NH2 2.76Å; E393-R397 PolarHBondContact OE1-NH2 3.49Å; H394-R397 PolarHBondContact O-N 3.49Å; R397-A399 VanDerWaalsContact C-N 3.33Å; R397-A399 PolarHBondContact O-N 3.4Å; R397-L400 WeakPolarHBondContact O-CB 3.36Å; R397-L400 PolarHBondContact O-N 2.79Å; R397-L400 VanDerWaalsContact O-N 3.14Å; R397-M401 PolarHBondContact O-N 2.64Å; R397-M401 VanDerWaalsContact O-N 3.14Å
398	T	71.3	Confident	64.9	Low	61 Å²	61	109.7 Å²	109.7	37%	0.374	57%	0.572	S	S	.	*	H	α-helix	trans	-62.3	-38.3	176.6	-60.5	0	0	0	0	112.2	H394 Q395 L400 M401 L402	H394-T398 PolarHBondContact O-N 3.4Å; H394-T398 PolarHBondContact O-OG1 3.17Å; Q395-T398 PolarHBondContact O-N 3.29Å; T398-L400 VanDerWaalsContact C-N 3.34Å; T398-L400 PolarHBondContact O-N 2.79Å; T398-M401 PolarHBondContact O-N 2.63Å; T398-L402 HydrophobicContact CG2-CD1 4.11Å; T398-L402 PolarHBondContact O-N 2.99Å; T398-L402 VanDerWaalsContact O-N 3.17Å
399	A	72.7	Confident	63.2	Low	65 Å²	65	112.2 Å²	112.2	54%	0.537	59%	0.594	S	S	.	*	H	α-helix	trans	-66	-32.1	174.6	0	0	0	0	0	113.4	Q395 K396 R397	Q395-A399 VanDerWaalsContact O-CB 3.31Å; Q395-A399 WeakPolarHBondContact O-CB 3.41Å; Q395-A399 PolarHBondContact O-N 3.39Å; K396-A399 PolarHBondContact O-N 2.99Å; R397-A399 VanDerWaalsContact C-N 3.33Å; R397-A399 PolarHBondContact O-N 3.4Å
400	L	69.5	Low	61.4	Low	127 Å²	127	113.2 Å²	113.2	67%	0.665	62%	0.616	S	S	*	*	H	α-helix	trans	-70.5	-36	173.8	-74.3	166	0	0	0	112.2	K396 R397 T398 L402	K396-L400 WeakPolarHBondContact O-CG 3.39Å; K396-L400 PolarHBondContact O-N 2.77Å; K396-L400 VanDerWaalsContact O-N 3.11Å; R397-L400 WeakPolarHBondContact O-CB 3.36Å; R397-L400 PolarHBondContact O-N 2.79Å; R397-L400 VanDerWaalsContact O-N 3.14Å; T398-L400 VanDerWaalsContact C-N 3.34Å; T398-L400 PolarHBondContact O-N 2.79Å; L400-L402 VanDerWaalsContact C-N 3.34Å
401	M	59.3	Low	60.2	Low	162 Å²	162	119.3 Å²	119.3	80%	0.798	64%	0.636	S	S	*	*	H	α-helix	trans	-73.3	-23.7	176.8	-59.7	-151	81.3	0	0	113.8	R397 T398	R397-M401 PolarHBondContact O-N 2.64Å; R397-M401 VanDerWaalsContact O-N 3.14Å; T398-M401 PolarHBondContact O-N 2.63Å
402	L	54.9	Low	58.7	Low	135 Å²	135	120.6 Å²	120.6	71%	0.707	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	8.4	179.6	-78.6	167.5	0	0	0	114.3	T398 L400 P404	T398-L402 HydrophobicContact CG2-CD1 4.11Å; T398-L402 PolarHBondContact O-N 2.99Å; T398-L402 VanDerWaalsContact O-N 3.17Å; L400-L402 VanDerWaalsContact C-N 3.34Å; L402-P404 WeakPolarHBondContact O-CD 3.47Å
403	R	46.3	Very low	56.9	Low	186 Å²	186	122.7 Å²	122.7	70%	0.702	67%	0.673	S	S	*	*			trans	-70	122.3	175.1	-175.7	173.2	-179.8	157.4	2.2	110.2	A405 E406	R403-A405 PolarHBondContact O-N 3.32Å; R403-E406 IonicContact NH2-OE2 2.86Å
404	P	45	Very low	55.3	Low	105 Å²	105	124.5 Å²	124.5	68%	0.682	70%	0.698	S	S	*	*			trans	-61.2	138.2	174.2	-21.8	33.7	0	0	0	111.2	L402 E406	L402-P404 WeakPolarHBondContact O-CD 3.47Å; P404-E406 PolarHBondContact O-N 3.43Å
405	A	45.1	Very low	54.2	Low	93 Å²	93	126.7 Å²	126.7	77%	0.769	72%	0.719	S	S	*	*			trans	-72	105.9	168.3	0	0	0	0	0	108.9	R403 T407	R403-A405 PolarHBondContact O-N 3.32Å; A405-T407 PolarHBondContact O-N 2.92Å
406	E	43.7	Very low	52.8	Low	167 Å²	167	130 Å²	130	78%	0.78	73%	0.732	S	S	*	*			trans	-69.3	97.6	174	-69	-175.7	111	0	0	109.7	R403 P404	R403-E406 IonicContact NH2-OE2 2.86Å; P404-E406 PolarHBondContact O-N 3.43Å
407	T	45	Very low	51.1	Low	125 Å²	125	128.9 Å²	128.9	77%	0.767	74%	0.739	S	S	*	*			trans	-71.8	131.9	171	32.9	0	0	0	0	110.4	A405	A405-T407 PolarHBondContact O-N 2.92Å
408	P	52.7	Low	49.7	Very low	112 Å²	112	126 Å²	126	73%	0.727	74%	0.743	S	S	*	*			trans	-69	147.1	180	28.5	-34.7	0	0	0	111.1	A410	P408-A410 PolarHBondContact O-N 2.92Å; P408-A410 VanDerWaalsContact O-N 3.09Å
409	P	44.7	Very low	48.3	Very low	128 Å²	128	130.4 Å²	130.4	83%	0.831	76%	0.764	S	S	*	*			trans	-71.2	107.2	-176.2	28	-34.4	0	0	0	111.6
410	A	42.4	Very low	46.9	Very low	100 Å²	100	132.1 Å²	132.1	83%	0.826	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-65.3	135.2	168.3	0	0	0	0	0	110.4	P408	P408-A410 PolarHBondContact O-N 2.92Å; P408-A410 VanDerWaalsContact O-N 3.09Å
411	K	47.6	Very low	45.7	Very low	199 Å²	199	132.9 Å²	132.9	87%	0.865	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-76.2	137.7	173.4	-65.1	176.6	-178.8	174.6	0	109.1
412	A	44.9	Very low	44.9	Very low	104 Å²	104	128.9 Å²	128.9	86%	0.86	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-87.1	136.5	170.4	0	0	0	0	0	110.5
413	D	41.6	Very low	44.2	Very low	164 Å²	164	131.3 Å²	131.3	88%	0.877	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-75.8	158.4	-177.2	-66.9	-70.4	0	0	0	114.3
414	A	44.9	Very low	43.9	Very low	97 Å²	97	131.3 Å²	131.3	80%	0.802	79%	0.786	S	S	*	*			trans	-130.5	116.8	163.2	0	0	0	0	0	108.7
415	P	42.6	Very low	44	Very low	127 Å²	127	130.7 Å²	130.7	83%	0.825	78%	0.783	S	S	*	*			trans	-88.2	152.8	-165.7	33.8	-36.6	0	0	0	113.7
416	K	44	Very low	43.7	Very low	197 Å²	197	133 Å²	133	86%	0.857	78%	0.777	S	S	*	*			trans	-152.3	111	156.7	-125.3	175.6	-176.1	179.5	0	114.7
417	S	42.5	Very low	43.5	Very low	99 Å²	99	133.9 Å²	133.9	69%	0.692	77%	0.773	S	S	*	*			trans	51.5	121.5	143.5	58.7	0	0	0	0	122
418	S	43.3	Very low	43.4	Very low	93 Å²	93	137.8 Å²	137.8	65%	0.65	77%	0.774	S	S	*	*				82.2	108.3	127.7	65.1	0	0	0	0	122.1
419	N	40.8	Very low	42.8	Very low	154 Å²	154	138.6 Å²	138.6	82%	0.824	77%	0.773	S	S	*	*				84.4	126.1	127.4	-59.5	-0.1	0	0	0	121
420	A	44.9	Very low	42.5	Very low	101 Å²	101	140.6 Å²	140.6	84%	0.835	77%	0.771	S	S	*	*			trans	65.4	142	141.1	0	0	0	0	0	119.4
421	D	43.9	Very low	42.4	Very low	143 Å²	143	142.3 Å²	142.3	77%	0.765	77%	0.771	S	S	*	*			cis	-161.4	153.2	-18.3	-174.4	9	0	0	0	108.2
422	S	42	Very low	42	Very low	78 Å²	78	137.9 Å²	137.9	55%	0.545	77%	0.765	S	S	.	*			trans	59.9	136.1	151.5	-79.5	0	0	0	0	123.7
423	Q	41	Very low	41.8	Very low	186 Å²	186	137.3 Å²	137.3	87%	0.869	76%	0.755	S	S	*	*			trans	89.6	98.2	144.3	-70.3	165.1	62.6	0	0	121.3
424	Q	38.8	Very low	41.7	Very low	185 Å²	185	135 Å²	135	86%	0.864	74%	0.742	S	S	*	*			trans	-60.7	-169.3	149	-119.9	-171.8	-4.5	0	0	112.7
425	P	46.9	Very low	41.5	Very low	93 Å²	93	142.4 Å²	142.4	60%	0.604	75%	0.75	S	S	*	*			cis	-140.6	-167.4	-14.3	28.2	-2.4	0	0	0	115.3
426	E	40.2	Very low	41.4	Very low	141 Å²	141	143.2 Å²	143.2	66%	0.659	75%	0.747	S	S	*	*			trans	73.7	154.6	155	-58	-146.4	119.6	0	0	119.1
427	R	39.5	Very low	41.3	Very low	185 Å²	185	142.9 Å²	142.9	70%	0.698	75%	0.746	S	S	*	*			cis	-156.7	129.8	-10.3	-113.3	176.1	-156.7	161.7	21.5	106.1
428	R	42.2	Very low	41.3	Very low	207 Å²	207	142.9 Å²	142.9	78%	0.781	74%	0.743	S	S	*	*				98.4	158.6	84.3	-127.3	-171.3	-153.2	-172	6	114.4
429	D	40.6	Very low	41.2	Very low	130 Å²	130	142.5 Å²	142.5	70%	0.695	75%	0.746	S	S	*	*			trans	68.4	152.1	163.8	-42.9	-26.6	0	0	0	118.7
430	E	37.7	Very low	41	Very low	169 Å²	169	139.5 Å²	139.5	79%	0.79	73%	0.733	S	S	*	*				-160.2	-179.3	-54.3	-123.6	-156.8	122.5	0	0	110.7
431	T	40.3	Very low	40.7	Very low	136 Å²	136	140.6 Å²	140.6	83%	0.834	73%	0.729	S	S	*	*			trans	71.4	154	172.8	75.8	0	0	0	0	118.1
432	S	39.6	Very low	40.5	Very low	107 Å²	107	140.7 Å²	140.7	75%	0.748	73%	0.729	S	S	*	*			cis	-163	160.1	-29.2	-175.5	0	0	0	0	111.3
433	S	40.2	Very low	40.6	Very low	91 Å²	91	141.3 Å²	141.3	64%	0.636	73%	0.731	S	S	*	*			trans	76.6	115	154.1	-82	0	0	0	0	123.8
434	D	39.5	Very low	40.9	Very low	115 Å²	115	137.1 Å²	137.1	62%	0.615	72%	0.72	S	S	*	*				72.4	99.8	125.4	-68.5	-73.7	0	0	0	122.9	N436	D434-N436 PolarHBondContact OD1-ND2 3.42Å
435	R	42.1	Very low	40.9	Very low	253 Å²	253	134.2 Å²	134.2	96%	0.955	71%	0.71	S	S	*	*				-135.2	96.8	126.3	-83.4	-164.7	167.6	166	-2.2	111.2
436	N	38.9	Very low	41.1	Very low	144 Å²	144	136.9 Å²	136.9	77%	0.77	72%	0.718	S	S	*	*			trans	-72.4	144.7	179.5	-109.7	-60.8	0	0	0	113.2	D434	D434-N436 PolarHBondContact OD1-ND2 3.42Å
437	K	42.9	Very low	41.3	Very low	190 Å²	190	137.3 Å²	137.3	83%	0.826	72%	0.724	S	S	*	*			trans	-153	120.5	164	-159.8	172	-172.2	177.1	0	108.3	A439	K437-A439 PolarHBondContact O-N 2.97Å
438	P	42.4	Very low	42.3	Very low	100 Å²	100	132.8 Å²	132.8	65%	0.649	71%	0.714	S	S	*	*			trans	-72	121.4	-163.5	26.5	-34.3	0	0	0	112.2
439	A	39.9	Very low	43.5	Very low	85 Å²	85	125.7 Å²	125.7	70%	0.702	70%	0.696	S	S	*	*			trans	-81.2	124.7	157	0	0	0	0	0	107.9	K437 T441	K437-A439 PolarHBondContact O-N 2.97Å; A439-T441 VanDerWaalsContact C-N 3.34Å; A439-T441 PolarHBondContact O-N 2.71Å
440	V	37.4	Very low	45	Very low	91 Å²	91	122.3 Å²	122.3	55%	0.552	69%	0.692	S	S	*	*			trans	-77.1	89.3	175.6	-179.1	0	0	0	0	108.5	L442	V440-L442 PolarHBondContact O-N 3.5Å; V440-L442 VanDerWaalsContact O-N 3.09Å
441	T	38.9	Very low	46.7	Very low	123 Å²	123	122.6 Å²	122.6	76%	0.755	69%	0.69	S	S	*	*			trans	-67.5	102	171.3	-54.7	0	0	0	0	108.9	A439	A439-T441 VanDerWaalsContact C-N 3.34Å; A439-T441 PolarHBondContact O-N 2.71Å
442	L	39.6	Very low	48.3	Very low	145 Å²	145	121.3 Å²	121.3	76%	0.759	67%	0.674	S	S	*	*			trans	-62.9	138.4	165.3	-73.1	167.2	0	0	0	109	V440	V440-L442 PolarHBondContact O-N 3.5Å; V440-L442 VanDerWaalsContact O-N 3.09Å
443	P	43.7	Very low	49.3	Very low	92 Å²	92	119.7 Å²	119.7	60%	0.597	66%	0.657	S	S	*	*			trans	-64.6	145	178.3	27.6	-34.4	0	0	0	110.6	D445	P443-D445 PolarHBondContact O-N 3.39Å
444	P	47.3	Very low	50.8	Low	97 Å²	97	120.1 Å²	120.1	63%	0.63	65%	0.652	S	S	*	*	S	Bend	trans	-71.7	-12.7	173.8	32	-35	0	0	0	112.5	I446	P444-I446 PolarHBondContact O-N 3.02Å; P444-I446 VanDerWaalsContact O-N 3.16Å
445	D	40.2	Very low	52.5	Low	124 Å²	124	117.5 Å²	117.5	66%	0.663	65%	0.646	S	S	*	*			trans	-87.9	81.7	-170.4	-48	-64.7	0	0	0	111.6	P443	P443-D445 PolarHBondContact O-N 3.39Å
446	I	49.3	Very low	53.8	Low	150 Å²	150	107.8 Å²	107.8	77%	0.769	62%	0.62	S	S	*	*			trans	-178.2	55	145.7	-85.5	146.8	0	0	0	107	P444 L448	P444-I446 PolarHBondContact O-N 3.02Å; P444-I446 VanDerWaalsContact O-N 3.16Å; I446-L448 HydrophobicContact CG2-CD1 3.98Å; I446-L448 PolarHBondContact O-N 3.39Å
447	L	45.8	Very low	55.2	Low	149 Å²	149	104.3 Å²	104.3	78%	0.78	60%	0.604	S	S	*	*			trans	-89.1	85.4	166.5	-71	-179.6	0	0	0	109	S449	L447-S449 PolarHBondContact O-N 2.89Å; L447-S449 VanDerWaalsContact O-N 3.17Å
448	L	59.1	Low	56.8	Low	91 Å²	91	99.7 Å²	99.7	48%	0.476	59%	0.585	S	S	.	*			trans	-55.3	123.6	165.9	-87.8	76.4	0	0	0	108.3	I446 E452	I446-L448 HydrophobicContact CG2-CD1 3.98Å; I446-L448 PolarHBondContact O-N 3.39Å; L448-E452 HydrophobicContact CB-CB 4.11Å; L448-E452 HydrophobicContact CD2-CB 4.17Å; L448-E452 HydrophobicContact CG-CB 4.11Å
449	S	68.2	Low	58.4	Low	58 Å²	58	97.3 Å²	97.3	41%	0.406	57%	0.574	S	S	.	*			trans	-50.9	148.5	168.6	175.5	0	0	0	0	110.1	L447 K451 E452 L453	L447-S449 PolarHBondContact O-N 2.89Å; L447-S449 VanDerWaalsContact O-N 3.17Å; S449-K451 PolarHBondContact O-N 2.71Å; S449-K451 PolarHBondContact OG-N 3.03Å; S449-E452 WeakPolarHBondContact CB-OE2 3.38Å; S449-E452 PolarHBondContact N-OE2 2.98Å; S449-E452 WeakPolarHBondContact O-CA 3.32Å; S449-E452 PolarHBondContact O-N 2.83Å; S449-L453 PolarHBondContact O-N 2.68Å
450	G	71.3	Confident	60	Low	59 Å²	59	96.8 Å²	96.8	61%	0.608	56%	0.559	S	S	*	*	H	α-helix	trans	-54.1	-24.7	173.9	0	0	0	0	0	113.2	L454	G450-L454 WeakPolarHBondContact O-CB 3.4Å; G450-L454 PolarHBondContact O-N 3.1Å
451	K	75.2	Confident	61.8	Low	174 Å²	174	97.1 Å²	97.1	76%	0.757	55%	0.553	S	S	*	*	H	α-helix	trans	-73.1	-43.5	171.3	-64.4	-174.7	178.3	-176.3	0	113	S449 L454 A455	S449-K451 PolarHBondContact O-N 2.71Å; S449-K451 PolarHBondContact OG-N 3.03Å; K451-L454 PolarHBondContact O-N 3.48Å; K451-A455 WeakPolarHBondContact O-CB 3.5Å; K451-A455 PolarHBondContact O-N 3.34Å
452	E	72.1	Confident	63.7	Low	109 Å²	109	93.9 Å²	93.9	51%	0.509	54%	0.539	S	S	.	.	H	α-helix	trans	-69.3	-38.8	179.1	-65.9	169.2	132.2	0	0	111.1	L448 S449 L454 A455 A456	L448-E452 HydrophobicContact CB-CB 4.11Å; L448-E452 HydrophobicContact CD2-CB 4.17Å; L448-E452 HydrophobicContact CG-CB 4.11Å; S449-E452 WeakPolarHBondContact CB-OE2 3.38Å; S449-E452 PolarHBondContact N-OE2 2.98Å; S449-E452 WeakPolarHBondContact O-CA 3.32Å; S449-E452 PolarHBondContact O-N 2.83Å; E452-L454 VanDerWaalsContact C-N 3.34Å; E452-L454 PolarHBondContact O-N 3.04Å; E452-A455 PolarHBondContact O-N 3.29Å; E452-A456 VanDerWaalsContact O-CB 3.28Å; E452-A456 WeakPolarHBondContact O-CB 3.4Å; E452-A456 PolarHBondContact O-N 3.33Å
453	L	61.7	Low	65.4	Low	74 Å²	74	92.2 Å²	92.2	39%	0.387	53%	0.531	S	S	.	.	H	α-helix	trans	-62.8	-40.4	173.6	-177	61.8	0	0	0	111.9	S449 T457	S449-L453 PolarHBondContact O-N 2.68Å; L453-T457 WeakPolarHBondContact O-CB 3.27Å; L453-T457 PolarHBondContact O-N 3.46Å; L453-T457 PolarHBondContact O-OG1 2.92Å
454	L	72.1	Confident	66.8	Low	100 Å²	100	90.1 Å²	90.1	52%	0.524	51%	0.514	S	S	.	.	H	α-helix	trans	-70.6	-42.1	176.6	-162.5	156.3	0	0	0	111.1	G450 K451 E452 T457 E458	G450-L454 WeakPolarHBondContact O-CB 3.4Å; G450-L454 PolarHBondContact O-N 3.1Å; K451-L454 PolarHBondContact O-N 3.48Å; E452-L454 VanDerWaalsContact C-N 3.34Å; E452-L454 PolarHBondContact O-N 3.04Å; L454-T457 WeakPolarHBondContact O-CB 3.39Å; L454-T457 PolarHBondContact O-N 3.39Å; L454-E458 HydrophobicContact CD2-CG 4.21Å; L454-E458 PolarHBondContact O-N 2.99Å
455	A	75.3	Confident	68.2	Low	60 Å²	60	90.2 Å²	90.2	50%	0.496	51%	0.508	S	S	.	.	H	α-helix	trans	-60.9	-44.3	173.8	0	0	0	0	0	112.3	K451 E452 T457 E458 A459	K451-A455 WeakPolarHBondContact O-CB 3.5Å; K451-A455 PolarHBondContact O-N 3.34Å; E452-A455 PolarHBondContact O-N 3.29Å; A455-T457 VanDerWaalsContact C-N 3.29Å; A455-T457 PolarHBondContact O-N 2.77Å; A455-E458 PolarHBondContact O-N 3.08Å; A455-A459 WeakPolarHBondContact O-CB 3.45Å; A455-A459 PolarHBondContact O-N 3.08Å
456	A	67.8	Low	70	Confident	49 Å²	49	87 Å²	87	41%	0.405	50%	0.499	S	S	.	.	H	α-helix	trans	-63.9	-33.5	174.8	0	0	0	0	0	112.5	E452 L460	E452-A456 VanDerWaalsContact O-CB 3.28Å; E452-A456 WeakPolarHBondContact O-CB 3.4Å; E452-A456 PolarHBondContact O-N 3.33Å; A456-L460 WeakPolarHBondContact O-CB 3.37Å; A456-L460 PolarHBondContact O-N 3.31Å
457	T	69.9	Low	71.2	Confident	71 Å²	71	83.3 Å²	83.3	44%	0.436	49%	0.487	S	S	.	.	H	α-helix	trans	-70.7	-43.2	176.4	-57.2	0	0	0	0	111.6	L453 L454 A455 K461	L453-T457 WeakPolarHBondContact O-CB 3.27Å; L453-T457 PolarHBondContact O-N 3.46Å; L453-T457 PolarHBondContact O-OG1 2.92Å; L454-T457 WeakPolarHBondContact O-CB 3.39Å; L454-T457 PolarHBondContact O-N 3.39Å; A455-T457 VanDerWaalsContact C-N 3.29Å; A455-T457 PolarHBondContact O-N 2.77Å; T457-K461 VanDerWaalsContact O-CB 3.26Å; T457-K461 WeakPolarHBondContact O-CB 3.36Å; T457-K461 PolarHBondContact O-N 2.73Å
458	E	75.9	Confident	72.6	Confident	93 Å²	93	81.8 Å²	81.8	44%	0.435	47%	0.474	S	S	.	.	H	α-helix	trans	-69.7	-34.3	175.1	-74.8	-65.8	135.2	0	0	112.4	L454 A455 K461 A462	L454-E458 HydrophobicContact CD2-CG 4.21Å; L454-E458 PolarHBondContact O-N 2.99Å; A455-E458 PolarHBondContact O-N 3.08Å; E458-K461 PolarHBondContact O-N 2.65Å; E458-K461 WeakPolarHBondContact OE1-CD 3.41Å; E458-K461 IonicContact OE1-NZ 2.63Å; E458-K461 PolarHBondContact OE1-NZ 3.31Å; E458-K461 IonicContact OE2-NZ 2.64Å; E458-K461 PolarHBondContact OE2-NZ 2.65Å; E458-A462 WeakPolarHBondContact O-CB 3.39Å; E458-A462 PolarHBondContact O-N 3.31Å
459	A	75.5	Confident	73.6	Confident	49 Å²	49	81.1 Å²	81.1	41%	0.405	47%	0.474	S	S	.	.	H	α-helix	trans	-63	-51.2	171.8	0	0	0	0	0	111.8	A455 K461 A462 D463	A455-A459 WeakPolarHBondContact O-CB 3.45Å; A455-A459 PolarHBondContact O-N 3.08Å; A459-K461 VanDerWaalsContact C-N 3.25Å; A459-K461 PolarHBondContact O-N 2.96Å; A459-A462 WeakPolarHBondContact O-CB 3.28Å; A459-A462 PolarHBondContact O-N 3.47Å; A459-D463 PolarHBondContact O-N 2.81Å
460	L	74.1	Confident	74.1	Confident	75 Å²	75	81.8 Å²	81.8	39%	0.393	47%	0.472	S	S	.	.	H	α-helix	trans	-57.7	-39	176.1	177.6	63.4	0	0	0	112.1	T390 A456 I464	T390-L460 HydrophobicContact CG2-CD2 4.08Å; A456-L460 WeakPolarHBondContact O-CB 3.37Å; A456-L460 PolarHBondContact O-N 3.31Å; L460-I464 HydrophobicContact CD1-CD1 4.13Å; L460-I464 HydrophobicContact CD1-CG1 4.47Å; L460-I464 HydrophobicContact CG-CD1 4.01Å; L460-I464 WeakPolarHBondContact O-CB 3.36Å; L460-I464 WeakPolarHBondContact O-CD1 3.4Å; L460-I464 WeakPolarHBondContact O-CG1 3.46Å; L460-I464 PolarHBondContact O-N 2.82Å
461	K	74.7	Confident	74.2	Confident	97 Å²	97	81.6 Å²	81.6	42%	0.422	46%	0.461	S	S	.	.	H	α-helix	trans	-65.9	-41.1	175.2	172.2	-173.8	164.7	-150.1	0	111.9	T457 E458 A459 I465	T457-K461 VanDerWaalsContact O-CB 3.26Å; T457-K461 WeakPolarHBondContact O-CB 3.36Å; T457-K461 PolarHBondContact O-N 2.73Å; E458-K461 PolarHBondContact O-N 2.65Å; E458-K461 WeakPolarHBondContact OE1-CD 3.41Å; E458-K461 IonicContact OE1-NZ 2.63Å; E458-K461 PolarHBondContact OE1-NZ 3.31Å; E458-K461 IonicContact OE2-NZ 2.64Å; E458-K461 PolarHBondContact OE2-NZ 2.65Å; A459-K461 VanDerWaalsContact C-N 3.25Å; A459-K461 PolarHBondContact O-N 2.96Å; K461-I465 HydrophobicContact CG-CD1 4.08Å; K461-I465 WeakPolarHBondContact O-CD1 3.1Å; K461-I465 VanDerWaalsContact O-CG1 3.25Å; K461-I465 WeakPolarHBondContact O-CG1 3.27Å; K461-I465 PolarHBondContact O-N 3.35Å
462	A	78.9	Confident	74.3	Confident	55 Å²	55	76.2 Å²	76.2	46%	0.455	44%	0.443	S	S	.	.	H	α-helix	trans	-64.1	-44.9	174.5	0	0	0	0	0	111.7	E458 A459 I464 I465 A466	E458-A462 WeakPolarHBondContact O-CB 3.39Å; E458-A462 PolarHBondContact O-N 3.31Å; A459-A462 WeakPolarHBondContact O-CB 3.28Å; A459-A462 PolarHBondContact O-N 3.47Å; A462-I464 PolarHBondContact O-N 2.76Å; A462-I465 PolarHBondContact O-N 3.31Å; A462-A466 WeakPolarHBondContact O-CB 3.44Å; A462-A466 PolarHBondContact O-N 3.15Å
463	D	75.6	Confident	74.8	Confident	111 Å²	111	76.8 Å²	76.8	59%	0.594	45%	0.446	S	S	*	.	H	α-helix	trans	-61.5	-43.1	176.9	-72.9	-18.3	0	0	0	112.1	A459 A466 S467	A459-D463 PolarHBondContact O-N 2.81Å; D463-A466 PolarHBondContact O-N 2.87Å; D463-S467 WeakPolarHBondContact O-CB 3.48Å; D463-S467 PolarHBondContact O-N 2.99Å
464	I	72.1	Confident	75.6	Confident	48 Å²	48	78.7 Å²	78.7	25%	0.246	45%	0.451	C	S	.	.	H	α-helix	trans	-61.7	-43.9	175.3	-71.5	166	0	0	0	111	Y387 L460 A462 F468	Y387-I464 HydrophobicContact CD2-CD1 4.06Å; L460-I464 HydrophobicContact CD1-CD1 4.13Å; L460-I464 HydrophobicContact CD1-CG1 4.47Å; L460-I464 HydrophobicContact CG-CD1 4.01Å; L460-I464 WeakPolarHBondContact O-CB 3.36Å; L460-I464 WeakPolarHBondContact O-CD1 3.4Å; L460-I464 WeakPolarHBondContact O-CG1 3.46Å; L460-I464 PolarHBondContact O-N 2.82Å; A462-I464 PolarHBondContact O-N 2.76Å; I464-F468 WeakPolarHBondContact O-CB 3.46Å; I464-F468 PolarHBondContact O-N 2.93Å
465	I	77.8	Confident	75.7	Confident	98 Å²	98	76.2 Å²	76.2	50%	0.503	44%	0.442	S	S	.	.	H	α-helix	trans	-66.6	-43.1	178.6	-69.8	165.8	0	0	0	111.2	K461 A462 F468 T469	K461-I465 HydrophobicContact CG-CD1 4.08Å; K461-I465 WeakPolarHBondContact O-CD1 3.1Å; K461-I465 VanDerWaalsContact O-CG1 3.25Å; K461-I465 WeakPolarHBondContact O-CG1 3.27Å; K461-I465 PolarHBondContact O-N 3.35Å; A462-I465 PolarHBondContact O-N 3.31Å; I465-F468 PolarHBondContact O-N 3.05Å; I465-T469 WeakPolarHBondContact O-CB 3.24Å; I465-T469 PolarHBondContact O-N 2.91Å; I465-T469 PolarHBondContact O-OG1 3.49Å
466	A	78.5	Confident	76	Confident	58 Å²	58	77.7 Å²	77.7	48%	0.479	44%	0.441	S	S	.	.	H	α-helix	trans	-64.6	-45.5	178	0	0	0	0	0	111.5	A462 D463 T469 N470	A462-A466 WeakPolarHBondContact O-CB 3.44Å; A462-A466 PolarHBondContact O-N 3.15Å; D463-A466 PolarHBondContact O-N 2.87Å; A466-T469 PolarHBondContact O-N 2.94Å; A466-N470 VanDerWaalsContact O-CB 3.27Å; A466-N470 WeakPolarHBondContact O-CB 3.49Å; A466-N470 PolarHBondContact O-N 3.49Å
467	S	73.5	Confident	76.7	Confident	72 Å²	72	82.1 Å²	82.1	50%	0.503	45%	0.453	S	S	.	.	H	α-helix	trans	-58.9	-48.2	175.3	-176.5	0	0	0	0	111.8	D463 N470 C471	D463-S467 WeakPolarHBondContact O-CB 3.48Å; D463-S467 PolarHBondContact O-N 2.99Å; S467-N470 PolarHBondContact O-N 3.3Å; S467-C471 WeakPolarHBondContact O-CB 3.27Å; S467-C471 PolarHBondContact O-N 2.94Å
468	F	75.2	Confident	77.2	Confident	117 Å²	117	83.4 Å²	83.4	51%	0.513	45%	0.453	S	S	.	.	H	α-helix	trans	-64.4	-44.5	178.5	-177.2	-99	0	0	0	112.2	I464 I465 N470 C471 V472	I464-F468 WeakPolarHBondContact O-CB 3.46Å; I464-F468 PolarHBondContact O-N 2.93Å; I465-F468 PolarHBondContact O-N 3.05Å; F468-N470 PolarHBondContact O-N 3.44Å; F468-C471 WeakPolarHBondContact O-CB 3.32Å; F468-C471 PolarHBondContact O-N 2.81Å; F468-V472 HydrophobicContact CD1-CG2 4.21Å; F468-V472 HydrophobicContact CE1-CG2 3.77Å; F468-V472 HydrophobicContact CE2-CG2 4.32Å; F468-V472 HydrophobicContact CZ-CG2 3.83Å; F468-V472 WeakPolarHBondContact O-CG2 3.2Å; F468-V472 PolarHBondContact O-N 2.78Å
469	T	80	Confident	77.4	Confident	77 Å²	77	85.8 Å²	85.8	47%	0.472	46%	0.459	S	S	.	.	H	α-helix	trans	-61	-46.2	178.1	-55.3	0	0	0	0	110.8	I465 A466 C471 V472 E473	I465-T469 WeakPolarHBondContact O-CB 3.24Å; I465-T469 PolarHBondContact O-N 2.91Å; I465-T469 PolarHBondContact O-OG1 3.49Å; A466-T469 PolarHBondContact O-N 2.94Å; T469-C471 VanDerWaalsContact C-N 3.29Å; T469-C471 PolarHBondContact O-N 3.46Å; T469-V472 PolarHBondContact O-N 3.14Å; T469-E473 WeakPolarHBondContact O-CB 3.29Å; T469-E473 PolarHBondContact O-N 2.79Å
470	N	78.8	Confident	77.6	Confident	71 Å²	71	90.4 Å²	90.4	38%	0.38	47%	0.467	S	S	.	.	H	α-helix	trans	-64.3	-33.3	178.1	-164.8	-94.2	0	0	0	112.4	A466 S467 F468 K474	A466-N470 VanDerWaalsContact O-CB 3.27Å; A466-N470 WeakPolarHBondContact O-CB 3.49Å; A466-N470 PolarHBondContact O-N 3.49Å; S467-N470 PolarHBondContact O-N 3.3Å; F468-N470 PolarHBondContact O-N 3.44Å; N470-K474 WeakPolarHBondContact O-CB 3.42Å; N470-K474 WeakPolarHBondContact O-CD 3.35Å; N470-K474 VanDerWaalsContact O-CG 3.31Å; N470-K474 WeakPolarHBondContact O-CG 3.38Å; N470-K474 PolarHBondContact O-N 3.41Å; N470-K474 VanDerWaalsContact O-N 3.12Å; N470-K474 WeakPolarHBondContact OD1-CE 3.41Å; N470-K474 PolarHBondContact OD1-NZ 3.42Å
471	C	72.9	Confident	78.1	Confident	55 Å²	55	92.5 Å²	92.5	37%	0.372	48%	0.475	S	S	.	.	H	α-helix	trans	-66.6	-48.5	172.8	-169	0	0	0	0	111.7	S467 F468 T469 E473 K474 S475	S467-C471 WeakPolarHBondContact O-CB 3.27Å; S467-C471 PolarHBondContact O-N 2.94Å; F468-C471 WeakPolarHBondContact O-CB 3.32Å; F468-C471 PolarHBondContact O-N 2.81Å; T469-C471 VanDerWaalsContact C-N 3.29Å; T469-C471 PolarHBondContact O-N 3.46Å; C471-E473 PolarHBondContact O-N 2.66Å; C471-K474 PolarHBondContact O-N 3.28Å; C471-S475 PolarHBondContact O-N 2.85Å; C471-S475 PolarHBondContact O-OG 2.83Å; C471-S475 VanDerWaalsContact O-OG 3.08Å
472	V	78.4	Confident	78.3	Confident	61 Å²	61	90.6 Å²	90.6	37%	0.37	48%	0.477	S	S	.	.	H	α-helix	trans	-62.2	-42.8	178.1	171.9	0	0	0	0	111.4	F468 T469 S475 L476	F468-V472 HydrophobicContact CD1-CG2 4.21Å; F468-V472 HydrophobicContact CE1-CG2 3.77Å; F468-V472 HydrophobicContact CE2-CG2 4.32Å; F468-V472 HydrophobicContact CZ-CG2 3.83Å; F468-V472 WeakPolarHBondContact O-CG2 3.2Å; F468-V472 PolarHBondContact O-N 2.78Å; T469-V472 PolarHBondContact O-N 3.14Å; V472-S475 PolarHBondContact O-N 3.09Å; V472-L476 HydrophobicContact CG1-CD1 4.03Å; V472-L476 HydrophobicContact CG1-CG 4.45Å; V472-L476 WeakPolarHBondContact O-CG 3.34Å; V472-L476 PolarHBondContact O-N 3.32Å
473	E	81.2	Confident	78.5	Confident	122 Å²	122	92.2 Å²	92.2	57%	0.57	48%	0.477	S	S	*	.	H	α-helix	trans	-61.5	-44.8	177.6	-172.9	171.6	-147.7	0	0	111.7	T469 C471 S475 L476 Q477	T469-E473 WeakPolarHBondContact O-CB 3.29Å; T469-E473 PolarHBondContact O-N 2.79Å; C471-E473 PolarHBondContact O-N 2.66Å; E473-S475 PolarHBondContact O-N 2.98Å; E473-L476 PolarHBondContact O-N 3.49Å; E473-Q477 WeakPolarHBondContact O-CB 3.43Å; E473-Q477 PolarHBondContact O-N 3.29Å
474	K	80.2	Confident	78.9	Confident	113 Å²	113	96 Å²	96	49%	0.491	48%	0.483	S	S	.	.	H	α-helix	trans	-62.3	-38.8	173.2	-77.7	167.4	174	161.3	0	113	N470 C471 Q477 K478	N470-K474 WeakPolarHBondContact O-CB 3.42Å; N470-K474 WeakPolarHBondContact O-CD 3.35Å; N470-K474 VanDerWaalsContact O-CG 3.31Å; N470-K474 WeakPolarHBondContact O-CG 3.38Å; N470-K474 PolarHBondContact O-N 3.41Å; N470-K474 VanDerWaalsContact O-N 3.12Å; N470-K474 WeakPolarHBondContact OD1-CE 3.41Å; N470-K474 PolarHBondContact OD1-NZ 3.42Å; C471-K474 PolarHBondContact O-N 3.28Å; K474-Q477 PolarHBondContact O-N 3.36Å; K474-K478 WeakPolarHBondContact O-CG 3.4Å; K474-K478 PolarHBondContact O-N 3.23Å; K474-K478 VanDerWaalsContact O-N 3.11Å
475	S	72.9	Confident	79.4	Confident	48 Å²	48	97 Å²	97	34%	0.336	49%	0.492	S	S	.	.	H	α-helix	trans	-66.4	-44	176.4	-62	0	0	0	0	111.8	C471 V472 E473 K478 Y479	C471-S475 PolarHBondContact O-N 2.85Å; C471-S475 PolarHBondContact O-OG 2.83Å; C471-S475 VanDerWaalsContact O-OG 3.08Å; V472-S475 PolarHBondContact O-N 3.09Å; E473-S475 PolarHBondContact O-N 2.98Å; S475-K478 PolarHBondContact O-N 3.01Å; S475-Y479 PolarHBondContact O-N 2.83Å
476	L	83	Confident	79.5	Confident	92 Å²	92	94.9 Å²	94.9	48%	0.482	49%	0.488	S	S	.	.	H	α-helix	trans	-63.7	-41.3	174.6	-73.1	171.3	0	0	0	111.8	V472 E473 K478 Y479 Y480	V472-L476 HydrophobicContact CG1-CD1 4.03Å; V472-L476 HydrophobicContact CG1-CG 4.45Å; V472-L476 WeakPolarHBondContact O-CG 3.34Å; V472-L476 PolarHBondContact O-N 3.32Å; E473-L476 PolarHBondContact O-N 3.49Å; L476-K478 VanDerWaalsContact C-N 3.33Å; L476-K478 PolarHBondContact O-N 3.44Å; L476-Y479 PolarHBondContact O-N 2.99Å; L476-Y480 VanDerWaalsContact O-CD2 3.26Å; L476-Y480 WeakPolarHBondContact O-CD2 3.41Å; L476-Y480 PolarHBondContact O-N 3.28Å
477	Q	81.3	Confident	79.5	Confident	141 Å²	141	95 Å²	95	66%	0.659	49%	0.489	S	S	*	.	H	α-helix	trans	-62	-40.5	178.4	-167.8	176	26	0	0	111.9	E473 K474 Q481	E473-Q477 WeakPolarHBondContact O-CB 3.43Å; E473-Q477 PolarHBondContact O-N 3.29Å; K474-Q477 PolarHBondContact O-N 3.36Å; Q477-Q481 WeakPolarHBondContact O-CB 3.36Å; Q477-Q481 PolarHBondContact O-N 2.83Å
478	K	80.1	Confident	79.9	Confident	98 Å²	98	94.1 Å²	94.1	43%	0.426	49%	0.487	S	S	.	.	H	α-helix	trans	-64.5	-45.9	172.4	-71.8	172.2	-173.7	171.9	0	112.1	K474 S475 L476 Y480 Q481 A482	K474-K478 WeakPolarHBondContact O-CG 3.4Å; K474-K478 PolarHBondContact O-N 3.23Å; K474-K478 VanDerWaalsContact O-N 3.11Å; S475-K478 PolarHBondContact O-N 3.01Å; L476-K478 VanDerWaalsContact C-N 3.33Å; L476-K478 PolarHBondContact O-N 3.44Å; K478-Y480 PolarHBondContact O-N 3.48Å; K478-Q481 PolarHBondContact O-N 2.92Å; K478-Q481 VanDerWaalsContact O-N 3.13Å; K478-A482 WeakPolarHBondContact O-CB 3.39Å; K478-A482 PolarHBondContact O-N 3.35Å
479	Y	79.8	Confident	80.1	Confident	144 Å²	144	94 Å²	94	57%	0.565	49%	0.488	S	S	*	.	H	α-helix	trans	-58.9	-46.4	177.7	178.6	-99.6	0	0	0	112	S475 L476 Q481 A482 L483	S475-Y479 PolarHBondContact O-N 2.83Å; L476-Y479 PolarHBondContact O-N 2.99Å; Y479-Q481 VanDerWaalsContact C-N 3.32Å; Y479-Q481 PolarHBondContact O-N 3.41Å; Y479-A482 PolarHBondContact O-N 3.38Å; Y479-L483 HydrophobicContact CE1-CD2 4.36Å; Y479-L483 VanDerWaalsContact O-CB 3.31Å; Y479-L483 WeakPolarHBondContact O-CB 3.46Å; Y479-L483 PolarHBondContact O-N 2.91Å
480	Y	81.6	Confident	79.9	Confident	146 Å²	146	93.1 Å²	93.1	57%	0.573	49%	0.488	S	S	*	.	H	α-helix	trans	-63.9	-35.4	174.7	-81.6	-64.1	0	0	0	112.9	L476 K478 R484	L476-Y480 VanDerWaalsContact O-CD2 3.26Å; L476-Y480 WeakPolarHBondContact O-CD2 3.41Å; L476-Y480 PolarHBondContact O-N 3.28Å; K478-Y480 PolarHBondContact O-N 3.48Å; Y480-R484 WeakPolarHBondContact O-CB 3.23Å; Y480-R484 WeakPolarHBondContact O-CG 3.41Å; Y480-R484 PolarHBondContact O-N 2.99Å
481	Q	82.6	Confident	79.8	Confident	119 Å²	119	92.7 Å²	92.7	56%	0.556	49%	0.494	S	S	*	.	H	α-helix	trans	-68.1	-45.2	176	-169.3	65.9	13.5	0	0	111.6	Q477 K478 Y479 R484 V485	Q477-Q481 WeakPolarHBondContact O-CB 3.36Å; Q477-Q481 PolarHBondContact O-N 2.83Å; K478-Q481 PolarHBondContact O-N 2.92Å; K478-Q481 VanDerWaalsContact O-N 3.13Å; Y479-Q481 VanDerWaalsContact C-N 3.32Å; Y479-Q481 PolarHBondContact O-N 3.41Å; Q481-R484 PolarHBondContact O-N 2.98Å; Q481-V485 WeakPolarHBondContact O-CG2 3.42Å; Q481-V485 PolarHBondContact O-N 2.72Å
482	A	80.8	Confident	79.9	Confident	57 Å²	57	99.2 Å²	99.2	47%	0.471	51%	0.512	S	S	.	.	H	α-helix	trans	-61.2	-44.6	175.2	0	0	0	0	0	111.7	K478 Y479 R484 V485 A486	K478-A482 WeakPolarHBondContact O-CB 3.39Å; K478-A482 PolarHBondContact O-N 3.35Å; Y479-A482 PolarHBondContact O-N 3.38Å; A482-R484 VanDerWaalsContact C-N 3.27Å; A482-R484 PolarHBondContact O-N 2.99Å; A482-V485 PolarHBondContact O-N 3.18Å; A482-V485 VanDerWaalsContact O-N 3.11Å; A482-A486 PolarHBondContact O-N 3.42Å
483	L	81.6	Confident	79.3	Confident	89 Å²	89	106 Å²	106	47%	0.466	53%	0.532	S	S	.	.	H	α-helix	trans	-61.1	-35	176	-168.6	69.3	0	0	0	112.1	Y479 A487	Y479-L483 HydrophobicContact CE1-CD2 4.36Å; Y479-L483 VanDerWaalsContact O-CB 3.31Å; Y479-L483 WeakPolarHBondContact O-CB 3.46Å; Y479-L483 PolarHBondContact O-N 2.91Å; L483-A487 VanDerWaalsContact O-CB 3.27Å; L483-A487 WeakPolarHBondContact O-CB 3.42Å; L483-A487 PolarHBondContact O-N 3.33Å
484	R	83.8	Confident	78.2	Confident	191 Å²	191	104 Å²	104	72%	0.721	54%	0.536	S	S	*	.	H	α-helix	trans	-71.3	-34.2	173.4	-77.8	-170.2	69.4	153.4	4.6	113.6	Y480 Q481 A482 A488	Y480-R484 WeakPolarHBondContact O-CB 3.23Å; Y480-R484 WeakPolarHBondContact O-CG 3.41Å; Y480-R484 PolarHBondContact O-N 2.99Å; Q481-R484 PolarHBondContact O-N 2.98Å; A482-R484 VanDerWaalsContact C-N 3.27Å; A482-R484 PolarHBondContact O-N 2.99Å; R484-A488 WeakPolarHBondContact O-CB 3.21Å; R484-A488 PolarHBondContact O-N 2.87Å; R484-A488 VanDerWaalsContact O-N 3.16Å
485	V	83.7	Confident	76.9	Confident	69 Å²	69	104.4 Å²	104.4	42%	0.418	54%	0.543	S	S	.	.	H	α-helix	trans	-68.5	-51.2	173.9	173.2	0	0	0	0	109.9	Q481 A482 A487 A488 E489	Q481-V485 WeakPolarHBondContact O-CG2 3.42Å; Q481-V485 PolarHBondContact O-N 2.72Å; A482-V485 PolarHBondContact O-N 3.18Å; A482-V485 VanDerWaalsContact O-N 3.11Å; V485-A487 VanDerWaalsContact C-N 3.29Å; V485-A487 PolarHBondContact O-N 3.38Å; V485-A488 WeakPolarHBondContact O-CA 3.29Å; V485-A488 WeakPolarHBondContact O-CB 3.48Å; V485-A488 PolarHBondContact O-N 3.37Å; V485-E489 HydrophobicContact CG1-CG 4.41Å; V485-E489 PolarHBondContact O-N 2.9Å
486	A	78.5	Confident	75.8	Confident	52 Å²	52	107.8 Å²	107.8	43%	0.43	56%	0.563	S	S	.	*	H	α-helix	trans	-57.5	-39.4	177.2	0	0	0	0	0	112.7	A482 A488 E489 A490	A482-A486 PolarHBondContact O-N 3.42Å; A486-A488 VanDerWaalsContact C-N 3.35Å; A486-A488 PolarHBondContact O-N 3.17Å; A486-E489 PolarHBondContact O-N 3.49Å; A486-A490 VanDerWaalsContact O-CB 3.28Å; A486-A490 WeakPolarHBondContact O-CB 3.26Å; A486-A490 PolarHBondContact O-N 2.87Å
487	A	79.6	Confident	73.9	Confident	61 Å²	61	107.9 Å²	107.9	50%	0.504	58%	0.578	S	S	.	*	H	α-helix	trans	-66.6	-32.9	174.2	0	0	0	0	0	113.3	L483 V485 A491	L483-A487 VanDerWaalsContact O-CB 3.27Å; L483-A487 WeakPolarHBondContact O-CB 3.42Å; L483-A487 PolarHBondContact O-N 3.33Å; V485-A487 VanDerWaalsContact C-N 3.29Å; V485-A487 PolarHBondContact O-N 3.38Å; A487-A491 WeakPolarHBondContact O-CB 3.47Å; A487-A491 PolarHBondContact O-N 3.1Å
488	A	81.2	Confident	72.2	Confident	54 Å²	54	111 Å²	111	45%	0.446	59%	0.589	S	S	.	*	H	α-helix	trans	-74.4	-39.3	175.6	0	0	0	0	0	112.1	R484 V485 A486 A491 Y492	R484-A488 WeakPolarHBondContact O-CB 3.21Å; R484-A488 PolarHBondContact O-N 2.87Å; R484-A488 VanDerWaalsContact O-N 3.16Å; V485-A488 WeakPolarHBondContact O-CA 3.29Å; V485-A488 WeakPolarHBondContact O-CB 3.48Å; V485-A488 PolarHBondContact O-N 3.37Å; A486-A488 VanDerWaalsContact C-N 3.35Å; A486-A488 PolarHBondContact O-N 3.17Å; A488-A491 PolarHBondContact O-N 2.91Å; A488-Y492 PolarHBondContact O-N 2.8Å
489	E	79.5	Confident	70.2	Confident	114 Å²	114	113.3 Å²	113.3	53%	0.533	60%	0.601	S	S	.	*	H	α-helix	trans	-65.5	-42.4	173.8	-70.2	179.2	175.4	0	0	111.7	V485 A486 A491 Y492 R493	V485-E489 HydrophobicContact CG1-CG 4.41Å; V485-E489 PolarHBondContact O-N 2.9Å; A486-E489 PolarHBondContact O-N 3.49Å; E489-A491 VanDerWaalsContact C-N 3.33Å; E489-A491 PolarHBondContact O-N 3.2Å; E489-Y492 PolarHBondContact O-N 3.17Å; E489-R493 PolarHBondContact O-N 2.98Å
490	A	76.9	Confident	67.9	Low	59 Å²	59	112.1 Å²	112.1	49%	0.488	61%	0.612	S	S	.	*	H	α-helix	trans	-60.6	-41.3	172.5	0	0	0	0	0	111.8	A486 Y492 R493 A494	A486-A490 VanDerWaalsContact O-CB 3.28Å; A486-A490 WeakPolarHBondContact O-CB 3.26Å; A486-A490 PolarHBondContact O-N 2.87Å; A490-Y492 VanDerWaalsContact C-N 3.34Å; A490-Y492 PolarHBondContact O-N 3.2Å; A490-R493 PolarHBondContact O-N 2.91Å; A490-A494 VanDerWaalsContact O-CB 3.25Å; A490-A494 WeakPolarHBondContact O-CB 3.38Å; A490-A494 PolarHBondContact O-N 3.42Å
491	A	77.1	Confident	65.8	Low	61 Å²	61	112.9 Å²	112.9	50%	0.504	62%	0.621	S	S	.	*	H	α-helix	trans	-65.3	-34.6	175.1	0	0	0	0	0	112.9	A487 A488 E489	A487-A491 WeakPolarHBondContact O-CB 3.47Å; A487-A491 PolarHBondContact O-N 3.1Å; A488-A491 PolarHBondContact O-N 2.91Å; E489-A491 VanDerWaalsContact C-N 3.33Å; E489-A491 PolarHBondContact O-N 3.2Å
492	Y	73.2	Confident	63.7	Low	192 Å²	192	113.9 Å²	113.9	75%	0.753	64%	0.635	S	S	*	*	H	α-helix	trans	-70.8	-42	173.5	-103.4	-87.5	0	0	0	112.6	A488 E489 A490 A494 L495	A488-Y492 PolarHBondContact O-N 2.8Å; E489-Y492 PolarHBondContact O-N 3.17Å; A490-Y492 VanDerWaalsContact C-N 3.34Å; A490-Y492 PolarHBondContact O-N 3.2Å; Y492-A494 VanDerWaalsContact C-N 3.27Å; Y492-A494 PolarHBondContact O-N 2.93Å; Y492-L495 PolarHBondContact O-N 3.03Å
493	R	66.2	Low	62	Low	205 Å²	205	116.8 Å²	116.8	77%	0.774	65%	0.653	S	S	*	*	H	α-helix	trans	-67.4	-24.7	174.5	-72.3	-172.2	179.4	-163.6	0.2	113.1	E489 A490 L495	E489-R493 PolarHBondContact O-N 2.98Å; A490-R493 PolarHBondContact O-N 2.91Å; R493-L495 VanDerWaalsContact C-N 3.29Å; R493-L495 PolarHBondContact O-N 2.98Å
494	A	58.3	Low	60	Low	79 Å²	79	119.8 Å²	119.8	65%	0.653	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	0.1	178.4	0	0	0	0	0	114.6	A490 Y492 P496	A490-A494 VanDerWaalsContact O-CB 3.25Å; A490-A494 WeakPolarHBondContact O-CB 3.38Å; A490-A494 PolarHBondContact O-N 3.42Å; Y492-A494 VanDerWaalsContact C-N 3.27Å; Y492-A494 PolarHBondContact O-N 2.93Å; A494-P496 WeakPolarHBondContact O-CD 3.34Å
495	L	53.9	Low	57.9	Low	122 Å²	122	113.9 Å²	113.9	64%	0.639	67%	0.672	S	S	*	*	S	Bend	trans	-82.9	118.5	173.2	-71.4	171.9	0	0	0	110.2	Y492 R493 A497	Y492-L495 PolarHBondContact O-N 3.03Å; R493-L495 VanDerWaalsContact C-N 3.29Å; R493-L495 PolarHBondContact O-N 2.98Å; L495-A497 PolarHBondContact O-N 3.41Å; L495-A497 VanDerWaalsContact O-N 3.16Å
496	P	48.1	Very low	55.8	Low	118 Å²	118	120.5 Å²	120.5	77%	0.766	70%	0.696	S	S	*	*			trans	-68.4	116.2	-179	26.9	-33.8	0	0	0	110.8	A494 K498	A494-P496 WeakPolarHBondContact O-CD 3.34Å; P496-K498 PolarHBondContact O-N 3.37Å; P496-K498 VanDerWaalsContact O-N 3.11Å
497	A	43.4	Very low	54.1	Low	95 Å²	95	123.5 Å²	123.5	79%	0.785	71%	0.711	S	S	*	*			trans	-64.9	109.6	176.2	0	0	0	0	0	110.5	L495 Q499	L495-A497 PolarHBondContact O-N 3.41Å; L495-A497 VanDerWaalsContact O-N 3.16Å; A497-Q499 VanDerWaalsContact C-N 3.32Å; A497-Q499 PolarHBondContact O-N 2.85Å
498	K	45.5	Very low	52.1	Low	205 Å²	205	128.3 Å²	128.3	89%	0.891	73%	0.727	S	S	*	*			trans	-74	88.5	169.2	-80	-164.1	172	-170.4	0	109.9	P496 C500	P496-K498 PolarHBondContact O-N 3.37Å; P496-K498 VanDerWaalsContact O-N 3.11Å; K498-C500 PolarHBondContact O-N 2.94Å
499	Q	38	Very low	50	Low	148 Å²	148	130.4 Å²	130.4	69%	0.692	74%	0.739	S	S	*	*			trans	-69.2	110.9	175.6	-174.5	159.3	-23	0	0	110.6	A497 Q501	A497-Q499 VanDerWaalsContact C-N 3.32Å; A497-Q499 PolarHBondContact O-N 2.85Å; Q499-Q501 HydrophobicContact CG-CG 4.37Å
500	C	32.9	Very low	47.8	Very low	118 Å²	118	133.8 Å²	133.8	80%	0.797	75%	0.752	S	S	*	*			trans	-112.1	91.8	165.5	-77.7	0	0	0	0	108.6	K498	K498-C500 PolarHBondContact O-N 2.94Å
501	Q	36.3	Very low	46	Very low	163 Å²	163	136.4 Å²	136.4	76%	0.762	76%	0.762	S	S	*	*			trans	-77.3	119.6	159.8	-73.2	173.4	-15.2	0	0	108.4	Q499	Q499-Q501 HydrophobicContact CG-CG 4.37Å
502	T	39.9	Very low	44	Very low	139 Å²	139	137 Å²	137	85%	0.853	77%	0.774	S	S	*	*			trans	-136.5	146.6	157.1	47.5	0	0	0	0	109.3
503	S	43.6	Very low	42.5	Very low	119 Å²	119	136.1 Å²	136.1	83%	0.832	78%	0.779	S	S	*	*			trans	-79.7	156.5	-163.5	41.7	0	0	0	0	114.8
504	V	40.6	Very low	41.2	Very low	152 Å²	152	134.3 Å²	134.3	92%	0.921	78%	0.784	S	S	*	*			trans	-48.8	130.1	172	-178.1	0	0	0	0	111.5
505	G	38.7	Very low	40.8	Very low	66 Å²	66	135.8 Å²	135.8	68%	0.68	79%	0.787	S	S	*	*			trans	-157.6	-14	-174.7	0	0	0	0	0	121.1
506	K	39.9	Very low	40	Very low	208 Å²	208	137.8 Å²	137.8	90%	0.904	80%	0.798	S	S	*	*			trans	64.4	163.2	-175.5	-74.1	176.1	179	171.3	0	115.5
507	P	42.3	Very low	39.6	Very low	115 Å²	115	136.3 Å²	136.3	75%	0.747	80%	0.795	S	S	*	*			trans	-119	160.1	-152.9	40.8	-31.2	0	0	0	116.3
508	L	38.4	Very low	39.5	Very low	162 Å²	162	136.9 Å²	136.9	85%	0.848	79%	0.794	S	S	*	*			trans	-165.9	125.3	140.4	-109	164.6	0	0	0	114.4
509	S	37.5	Very low	39.2	Very low	99 Å²	99	134.7 Å²	134.7	69%	0.692	79%	0.791	S	S	*	*			trans	47.1	111.4	145.5	61.2	0	0	0	0	123.7
510	F	33.3	Very low	39.8	Very low	184 Å²	184	132 Å²	132	81%	0.807	79%	0.787	S	S	*	*				94	100.9	110.4	-160.8	-95.9	0	0	0	122.5
511	V	39.4	Very low	39.9	Very low	115 Å²	115	137.7 Å²	137.7	70%	0.697	79%	0.792	S	S	*	*			trans	66.4	134.6	137.5	179.3	0	0	0	0	120.8
512	G	34.6	Very low	40.2	Very low	73 Å²	73	134.5 Å²	134.5	75%	0.753	79%	0.793	S	S	*	*			trans	-173.3	13.9	175.7	0	0	0	0	0	122.6
513	M	41.2	Very low	40.2	Very low	174 Å²	174	135.4 Å²	135.4	86%	0.857	79%	0.792	S	S	*	*			trans	42	100.4	160.9	-60.5	179.2	69.3	0	0	122.3
514	N	40.1	Very low	39.8	Very low	167 Å²	167	135.5 Å²	135.5	89%	0.893	79%	0.792	S	S	*	*				56.3	163.1	125	-93.4	6.9	0	0	0	124.7
515	P	48.2	Very low	40.1	Very low	109 Å²	109	134.5 Å²	134.5	71%	0.708	79%	0.789	S	S	*	*			trans	-121.4	-173.7	-151.5	45.8	-36.2	0	0	0	115.8
516	L	38.6	Very low	40	Very low	165 Å²	165	134.6 Å²	134.6	86%	0.864	79%	0.79	S	S	*	*			trans	-167.3	141.9	159	-109.9	162.3	0	0	0	114.4
517	A	38.7	Very low	40	Very low	87 Å²	87	132.7 Å²	132.7	72%	0.719	79%	0.786	S	S	*	*			trans	58.6	154.6	147.4	0	0	0	0	0	121.7
518	S	42.6	Very low	39.8	Very low	107 Å²	107	133.7 Å²	133.7	75%	0.748	78%	0.784	S	S	*	*			cis	-172.9	125.7	-19	51.9	0	0	0	0	113.6
519	D	38.3	Very low	39.7	Very low	158 Å²	158	133.8 Å²	133.8	85%	0.845	78%	0.784	S	S	*	*			trans	49.8	175.5	130.7	-126.2	29.1	0	0	0	122.3
520	P	50.9	Low	39.6	Very low	92 Å²	92	132.1 Å²	132.1	60%	0.597	78%	0.782	S	S	*	*				-136.4	-163.9	-106.6	43.6	-23.6	0	0	0	116.7
521	R	34.6	Very low	39.7	Very low	238 Å²	238	131 Å²	131	90%	0.898	79%	0.785	S	S	*	*			trans	110.5	125	159.6	-59.9	165.3	77.2	120.7	2.4	116.9
522	A	43.2	Very low	39.7	Very low	95 Å²	95	131.1 Å²	131.1	79%	0.785	79%	0.791	S	S	*	*				168.1	145.1	111	0	0	0	0	0	115.3
523	N	40.4	Very low	40	Very low	158 Å²	158	135.8 Å²	135.8	85%	0.845	80%	0.795	S	S	*	*			trans	51.7	125.2	155.6	-67.4	7.4	0	0	0	123.9
524	C	33.3	Very low	40.1	Very low	122 Å²	122	133 Å²	133	82%	0.824	79%	0.79	S	S	*	*			trans	-113.5	-164.4	143.6	-38.7	0	0	0	0	107.2
525	P	48.3	Very low	40.4	Very low	131 Å²	131	130.1 Å²	130.1	85%	0.851	78%	0.78	S	S	*	*			cis	-128.1	-172.8	-27.4	38.6	-22.3	0	0	0	112.1
526	G	35.9	Very low	39.7	Very low	68 Å²	68	133.2 Å²	133.2	70%	0.701	79%	0.787	S	S	*	*			trans	179.5	121.7	164.8	0	0	0	0	0	119.7
527	M	39.4	Very low	39.6	Very low	167 Å²	167	137.3 Å²	137.3	82%	0.823	79%	0.791	S	S	*	*			trans	73.6	114.3	147.2	-56.9	-170.4	75.4	0	0	119.9
528	I	39.8	Very low	39.3	Very low	137 Å²	137	137.5 Å²	137.5	70%	0.703	79%	0.787	S	S	*	*				79.9	107.9	98.1	-71.2	-173.6	0	0	0	112.4
529	L	35.1	Very low	39	Very low	164 Å²	164	142.5 Å²	142.5	86%	0.859	80%	0.796	S	S	*	*				92.5	119	54.6	-177.3	162.4	0	0	0	111.8
530	G	35.6	Very low	38.7	Very low	63 Å²	63	145.7 Å²	145.7	65%	0.649	80%	0.798	S	S	*	*			trans	170.7	95.6	179.2	0	0	0	0	0	116.1
531	D	35.9	Very low	37.9	Very low	161 Å²	161	147.2 Å²	147.2	86%	0.861	81%	0.809	S	S	*	*			trans	58	143.7	140.5	-53.9	-27.2	0	0	0	126.5
532	S	39.5	Very low	38	Very low	118 Å²	118	141.2 Å²	141.2	83%	0.825	80%	0.804	S	S	*	*			trans	100.5	105.5	141.4	-141.5	0	0	0	0	120.9
533	M	39.4	Very low	38	Very low	171 Å²	171	142.8 Å²	142.8	84%	0.842	81%	0.806	S	S	*	*			trans	-85.1	154	153.9	-90.2	-94.7	177.8	0	0	109.6
534	P	45.3	Very low	37.6	Very low	114 Å²	114	145.3 Å²	145.3	74%	0.74	81%	0.81	S	S	*	*				-146.8	-162.8	107.4	48	-32.1	0	0	0	111.7
535	P	45.8	Very low	37.5	Very low	107 Å²	107	143 Å²	143	70%	0.695	81%	0.807	S	S	*	*				-136.9	-171.9	-117.5	34.5	-8.5	0	0	0	116.4
536	M	33.8	Very low	36.6	Very low	175 Å²	175	146.8 Å²	146.8	86%	0.862	81%	0.806	S	S	*	*			trans	56.7	104.6	151	-73.9	-92	-153.2	0	0	119.3
537	R	36.3	Very low	36.3	Very low	251 Å²	251	149.4 Å²	149.4	95%	0.947	81%	0.808	S	S	*	*				-166.5	156.9	103.8	-107.3	175.1	175.6	-166.8	-3.3	113.3
538	S	31.8	Very low	36.1	Very low	91 Å²	91	148.2 Å²	148.2	64%	0.636	81%	0.811	S	S	*	*			trans	-85.9	140.4	-179.1	146.1	0	0	0	0	111.8
539	F	35.7	Very low	35.6	Very low	211 Å²	211	146.1 Å²	146.1	93%	0.925	81%	0.814	S	S	*	*			trans	-146.1	152.5	136.7	-92.3	-67.5	0	0	0	111.2
540	Y	32.9	Very low	35.6	Very low	225 Å²	225	146.4 Å²	146.4	88%	0.882	82%	0.816	S	S	*	*			trans	-84	129.7	-179.1	-107	-115.9	0	0	0	111.3
541	C	34.6	Very low	35.4	Very low	124 Å²	124	147.8 Å²	147.8	84%	0.838	82%	0.821	S	S	*	*				-168	152.4	128.9	-120.1	0	0	0	0	112.1
542	S	35.6	Very low	35.2	Very low	112 Å²	112	145 Å²	145	78%	0.783	82%	0.82	S	S	*	*			trans	-125.6	153.3	160.6	-58.5	0	0	0	0	107.4
543	P	43.2	Very low	34.9	Very low	128 Å²	128	144.5 Å²	144.5	83%	0.831	82%	0.823	S	S	*	*				-139.8	-173.7	105.5	38.2	-25.8	0	0	0	113.7
544	F	31.4	Very low	34.6	Very low	211 Å²	211	140.1 Å²	140.1	93%	0.925	82%	0.822	S	S	*	*			trans	-57.5	140.6	178.8	-81.8	-124.4	0	0	0	112.8
545	G	32.2	Very low	34	Very low	75 Å²	75	139.6 Å²	139.6	77%	0.773	83%	0.827	S	S	*	*			trans	-147.3	132.8	172.6	0	0	0	0	0	111.5
546	Y	29.9	Very low	33.6	Very low	209 Å²	209	140.5 Å²	140.5	82%	0.82	84%	0.836	S	S	*	*			trans	-81	152.8	-166.8	-85.9	-111	0	0	0	114.9
547	T	29.3	Very low	33.8	Very low	123 Å²	123	136.6 Å²	136.6	76%	0.755	83%	0.831	S	S	*	*			trans	54.2	128.4	147.5	53	0	0	0	0	121.4
548	T	34.1	Very low	34.3	Very low	143 Å²	143	129.7 Å²	129.7	88%	0.877	82%	0.819	S	S	*	*			trans	-149.6	140.3	133.4	-76.2	0	0	0	0	108.9
549	A	31.1	Very low	34.5	Very low	93 Å²	93	136 Å²	136	77%	0.769	84%	0.836	S	S	*	*			trans	-125.6	122.2	178.8	0	0	0	0	0	110.9
550	L	33.2	Very low	34.4	Very low	170 Å²	170	129.2 Å²	129.2	89%	0.89	83%	0.825	S	S	*	*			trans	-170.5	144.4	174.1	-133.1	64.2	0	0	0	107.8
551	A	32.3	Very low	34.7	Very low	92 Å²	92	127.9 Å²	127.9	76%	0.76	83%	0.829	S	S	*	*			cis	-155.9	178.3	-28.1	0	0	0	0	0	108.9
552	A	31.8	Very low	34.5	Very low	102 Å²	102	125.2 Å²	125.2	84%	0.843	82%	0.823	S	S	*	*			trans	-67.4	146.4	-170.5	0	0	0	0	0	116.1
553	A	34	Very low	34.4	Very low	108 Å²	108	125.4 Å²	125.4	89%	0.893	82%	0.824	S	S	*	*				174.8	164.6	120.2	0	0	0	0	0	112.5
554	G	31.1	Very low	34	Very low	79 Å²	79	127.6 Å²	127.6	81%	0.814	82%	0.823	S	S	*	*			trans	109.9	89.4	155.5	0	0	0	0	0	117.1
555	A	34.3	Very low	34	Very low	102 Å²	102	125.3 Å²	125.3	84%	0.843	82%	0.82	S	S	*	*			trans	-65.1	141.6	178.6	0	0	0	0	0	115.6
556	S	37.4	Very low	33.8	Very low	127 Å²	127	124.6 Å²	124.6	89%	0.888	81%	0.812	S	S	*	*				177.1	162.2	123.6	45.2	0	0	0	0	112.2
557	A	37.4	Very low	33.8	Very low	92 Å²	92	122.3 Å²	122.3	76%	0.76	81%	0.812	S	S	*	*			trans	-151.3	-170.6	-178.3	0	0	0	0	0	108.5
558	P	46.4	Very low	33.8	Very low	106 Å²	106	126.5 Å²	126.5	69%	0.688	82%	0.816	S	S	*	*			cis	-136	141.4	-15.9	34.4	-16.2	0	0	0	115
559	F	37.3	Very low	33.6	Very low	225 Å²	225	129.6 Å²	129.6	99%	0.987	82%	0.817	S	S	*	*			trans	-157.6	141.5	154.3	-76.8	-76.8	0	0	0	107.7
560	G	32.4	Very low	33.8	Very low	68 Å²	68	130.8 Å²	130.8	70%	0.701	82%	0.82	S	S	*	*			cis	-179	169.6	-6	0	0	0	0	0	109.7
561	M	40	Very low	33.8	Very low	197 Å²	197	134.5 Å²	134.5	97%	0.97	82%	0.822	S	S	*	*			trans	67.8	100.7	-179.1	-63.8	-179.2	160.8	0	0	117.9
562	G	30.4	Very low	33.8	Very low	68 Å²	68	133.3 Å²	133.3	70%	0.701	82%	0.819	S	S	*	*			trans	-89.9	-161	133.5	0	0	0	0	0	109.7
563	S	33.4	Very low	33.9	Very low	116 Å²	116	133.4 Å²	133.4	81%	0.811	82%	0.82	S	S	*	*			cis	-163.7	-173	9	-67	0	0	0	0	109.6
564	Q	34.5	Very low	34.1	Very low	174 Å²	174	132.3 Å²	132.3	81%	0.813	81%	0.811	S	S	*	*			trans	89.2	121.2	152	-69.3	-81.7	48.2	0	0	120
565	L	30.5	Very low	34.2	Very low	163 Å²	163	135.7 Å²	135.7	85%	0.853	81%	0.81	S	S	*	*			trans	-51.9	157	147.2	-60.1	92.7	0	0	0	111.2
566	G	28.3	Very low	34.2	Very low	59 Å²	59	136.1 Å²	136.1	61%	0.608	81%	0.807	S	S	*	*			trans	179.7	98.7	168.7	0	0	0	0	0	117.3	Y568	G566-Y568 WeakPolarHBondContact O-CD2 3.33Å
567	I	29.9	Very low	33.9	Very low	162 Å²	162	135 Å²	135	83%	0.831	81%	0.805	S	S	*	*			trans	-42.1	129.1	161.5	-36.2	169.8	0	0	0	111.9
568	Y	29.5	Very low	33.6	Very low	211 Å²	211	134.3 Å²	134.3	83%	0.827	80%	0.8	S	S	*	*			trans	-136.7	104.7	164.6	-83.6	-76.3	0	0	0	113.4	G566	G566-Y568 WeakPolarHBondContact O-CD2 3.33Å
569	F	29.6	Very low	33	Very low	208 Å²	208	137.8 Å²	137.8	91%	0.912	81%	0.811	S	S	*	*			trans	-75.9	128.4	149	-101.7	-96.4	0	0	0	108.1
570	S	36.4	Very low	32.8	Very low	118 Å²	118	130.5 Å²	130.5	83%	0.825	80%	0.799	S	S	*	*			trans	-94.5	115.4	175.6	-68.7	0	0	0	0	111.4
571	R	32.3	Very low	32.9	Very low	247 Å²	247	130.9 Å²	130.9	93%	0.932	80%	0.803	S	S	*	*			trans	-136.7	105.7	163.2	-172.8	176.3	-175.3	-178.9	3.5	109.9
572	G	32.9	Very low	32.7	Very low	67 Å²	67	126.9 Å²	126.9	69%	0.691	78%	0.782	S	S	*	*			trans	-75.3	168	164.2	0	0	0	0	0	111.6
573	A	34.7	Very low	33	Very low	105 Å²	105	131.1 Å²	131.1	87%	0.868	78%	0.784	S	S	*	*			cis	-159.9	-166.9	-2	0	0	0	0	0	109.9
574	A	37.3	Very low	33	Very low	85 Å²	85	128 Å²	128	70%	0.702	76%	0.764	S	S	*	*			trans	92.3	88.8	167.2	0	0	0	0	0	119.2
575	N	34.1	Very low	33.3	Very low	150 Å²	150	124.1 Å²	124.1	80%	0.802	76%	0.762	S	S	*	*				68	104.2	118.8	-58.3	-0.9	0	0	0	122.1
576	S	32.5	Very low	34.3	Very low	111 Å²	111	122 Å²	122	78%	0.776	76%	0.759	S	S	*	*				92.2	124.3	120	-59.8	0	0	0	0	122.1
577	A	32.8	Very low	34.9	Very low	103 Å²	103	125.7 Å²	125.7	85%	0.851	77%	0.772	S	S	*	*			trans	69.3	146.3	151.9	0	0	0	0	0	119.7
578	A	31.1	Very low	35.3	Very low	78 Å²	78	121 Å²	121	65%	0.645	76%	0.764	S	S	*	*			cis	-168.9	145.8	-22.8	0	0	0	0	0	110.6
579	I	33	Very low	35.5	Very low	178 Å²	178	117.3 Å²	117.3	91%	0.913	76%	0.763	S	S	*	*			trans	65.3	135.7	159.8	-56.9	152.1	0	0	0	116.7
580	G	33.5	Very low	35.8	Very low	73 Å²	73	115.2 Å²	115.2	75%	0.753	76%	0.759	S	S	*	*			cis	165.5	137.7	-10.8	0	0	0	0	0	114.4
581	G	34.8	Very low	35.7	Very low	75 Å²	75	118.9 Å²	118.9	77%	0.773	76%	0.761	S	S	*	*			trans	88.6	143.1	169.9	0	0	0	0	0	117.1
582	E	35	Very low	36.3	Very low	113 Å²	113	112.8 Å²	112.8	53%	0.528	75%	0.753	S	S	.	*			cis	-165.3	-146.8	2.1	-154.7	169.2	94.1	0	0	113.1	S147 K149	S147-E582 WeakPolarHBondContact OG-CB 3.35Å; K149-E582 WeakPolarHBondContact CE-OE1 3.39Å; K149-E582 WeakPolarHBondContact CG-OE1 3.39Å; K149-E582 IonicContact NZ-OE1 3Å; K149-E582 PolarHBondContact NZ-OE1 3.13Å; K149-E582 IonicContact NZ-OE2 2.68Å; K149-E582 PolarHBondContact NZ-OE2 3.29Å
583	Q	36.5	Very low	36.4	Very low	158 Å²	158	113 Å²	113	74%	0.738	76%	0.755	S	S	*	*			trans	-146.3	150.2	-163.4	176.4	-170.9	-110.4	0	0	116.3	V146 S147	V146-Q583 CarbonylContact O-C 3.33Å; S147-Q583 VanDerWaalsContact CA-O 3.29Å; S147-Q583 WeakPolarHBondContact CA-O 3.42Å; S147-Q583 WeakPolarHBondContact CB-O 3.4Å; S147-Q583 VanDerWaalsContact OG-C 3.31Å; S147-Q583 PolarHBondContact OG-N 2.66Å; S147-Q583 PolarHBondContact OG-O 2.69Å
584	A	34.7	Very low	36.5	Very low	49 Å²	49	117.8 Å²	117.8	41%	0.405	76%	0.76	S	S	.	*			trans	102.9	151.8	166.3	0	0	0	0	0	120.1	V146 S147 L148	V146-A584 PolarHBondContact O-N 2.9Å; S147-A584 CarbonylContact C-O 3.58Å; S147-A584 WeakPolarHBondContact CA-O 3.47Å; L148-A584 PolarHBondContact N-O 3.19Å
585	A	40.1	Very low	36.3	Very low	94 Å²	94	117.7 Å²	117.7	78%	0.777	76%	0.759	S	S	*	*			cis	-174.5	162.5	-22.6	0	0	0	0	0	113.1
586	P	51.2	Low	36.7	Very low	119 Å²	119	115.8 Å²	115.8	77%	0.773	76%	0.755	S	S	*	*			trans	-112.9	-176.2	176.7	42.8	-34.4	0	0	0	114.7
587	P	41.8	Very low	36.9	Very low	136 Å²	136	119.7 Å²	119.7	88%	0.883	76%	0.761	S	S	*	*			trans	-153	169.9	132.7	39.8	-23.2	0	0	0	117.9
588	G	38	Very low	37	Very low	64 Å²	64	118.4 Å²	118.4	66%	0.66	76%	0.758	S	S	*	*			trans	113.6	86.1	154.5	0	0	0	0	0	117.3
589	T	34.2	Very low	36.8	Very low	132 Å²	132	120.4 Å²	120.4	81%	0.81	77%	0.765	S	S	*	*				70.4	115.7	76.2	65.3	0	0	0	0	117.7
590	I	35.6	Very low	36.8	Very low	164 Å²	164	121.7 Å²	121.7	84%	0.841	77%	0.765	S	S	*	*				177.5	144.3	124.6	-90.1	156.7	0	0	0	111.2
591	F	33.9	Very low	36.5	Very low	195 Å²	195	123.4 Å²	123.4	86%	0.855	77%	0.765	S	S	*	*			trans	-139.4	-174.6	175.8	-117.7	-106.6	0	0	0	105.9
592	P	45.3	Very low	36.4	Very low	120 Å²	120	129.3 Å²	129.3	78%	0.779	77%	0.77	S	S	*	*			cis	-130.5	-166.2	-5.6	42	-24.6	0	0	0	113.5
593	G	35.2	Very low	36.3	Very low	71 Å²	71	131.9 Å²	131.9	73%	0.732	78%	0.782	S	S	*	*			trans	166.9	79.1	159	0	0	0	0	0	121.5
594	Q	35.8	Very low	36	Very low	206 Å²	206	130.3 Å²	130.3	96%	0.963	79%	0.785	S	S	*	*			trans	68.5	160.6	143	-134.9	159.9	9.2	0	0	122
595	A	33.6	Very low	36.1	Very low	83 Å²	83	132.9 Å²	132.9	69%	0.686	81%	0.806	S	S	*	*			trans	-147.6	-159.4	-177.7	0	0	0	0	0	107.1
596	P	43.2	Very low	35.6	Very low	109 Å²	109	133.1 Å²	133.1	71%	0.708	81%	0.808	S	S	*	*			cis	-141.8	-161.7	-2.7	31.7	-4.9	0	0	0	115.2
597	Q	35.1	Very low	34.8	Very low	194 Å²	194	134.6 Å²	134.6	91%	0.907	82%	0.815	S	S	*	*			trans	84.7	147.9	160.4	-46.4	-163.5	21.9	0	0	119.9
598	G	34.7	Very low	34.3	Very low	76 Å²	76	130.8 Å²	130.8	78%	0.784	80%	0.8	S	S	*	*			trans	139.2	99.4	173.9	0	0	0	0	0	113.8
599	C	27.8	Very low	34	Very low	119 Å²	119	136.3 Å²	136.3	80%	0.804	81%	0.814	S	S	*	*			trans	-95.4	131.8	179.9	-57.8	0	0	0	0	112.2
600	F	32.1	Very low	34.2	Very low	206 Å²	206	135.7 Å²	135.7	90%	0.904	81%	0.81	S	S	*	*			trans	-148.7	133.5	159	-83.9	-70.1	0	0	0	112.3
601	S	29	Very low	34	Very low	109 Å²	109	133.8 Å²	133.8	76%	0.762	80%	0.802	S	S	*	*			trans	-93.7	142.1	171.8	-50.7	0	0	0	0	110.3
602	F	32.5	Very low	34.2	Very low	199 Å²	199	132.2 Å²	132.2	87%	0.873	80%	0.801	S	S	*	*			trans	-151.8	167.1	159.9	-98.8	-64.1	0	0	0	114.1
603	H	32.4	Very low	33.7	Very low	167 Å²	167	129.9 Å²	129.9	77%	0.773	80%	0.799	S	S	*	*			trans	-73.6	157.6	-165.4	-96.5	-118.8	0	0	0	115.8
604	P	30.9	Very low	33.5	Very low	125 Å²	125	131.8 Å²	131.8	81%	0.812	80%	0.801	S	S	*	*			trans	-74.2	129.6	153.6	32.8	-31.4	0	0	0	110.4
605	A	34.8	Very low	33.5	Very low	102 Å²	102	129.4 Å²	129.4	84%	0.843	79%	0.794	S	S	*	*			trans	-142.4	150.1	173.1	0	0	0	0	0	110
606	A	30.7	Very low	33.4	Very low	100 Å²	100	134.6 Å²	134.6	83%	0.826	80%	0.801	S	S	*	*			trans	-107.7	134.3	-164	0	0	0	0	0	114.5
607	V	35.1	Very low	32.7	Very low	150 Å²	150	134.6 Å²	134.6	91%	0.909	80%	0.804	S	S	*	*			trans	-152.4	141	159.6	-162.4	0	0	0	0	106.6
608	G	31.1	Very low	32.7	Very low	56 Å²	56	130.4 Å²	130.4	58%	0.577	80%	0.802	S	S	*	*			cis	140.5	121	-9.9	0	0	0	0	0	112.7
609	L	31.7	Very low	32.5	Very low	179 Å²	179	130 Å²	130	94%	0.937	80%	0.798	S	S	*	*			trans	66.8	153.2	169.5	-56	166.7	0	0	0	115.4
610	T	37.5	Very low	32.6	Very low	119 Å²	119	129.5 Å²	129.5	73%	0.73	80%	0.802	S	S	*	*			cis	-124.7	-162.4	-5.1	54	0	0	0	0	108.9
611	D	31.6	Very low	32.6	Very low	125 Å²	125	124 Å²	124	67%	0.668	80%	0.795	S	S	*	*			cis	-162	-171.6	-2.7	-138.7	-47.1	0	0	0	111.2
612	L	37.9	Very low	32.7	Very low	162 Å²	162	123.3 Å²	123.3	85%	0.848	80%	0.796	S	S	*	*			trans	35.8	127.7	149.5	-64.4	167.6	0	0	0	120.7
613	G	34.6	Very low	32.7	Very low	71 Å²	71	118.4 Å²	118.4	73%	0.732	79%	0.787	S	S	*	*			cis	158.5	146.9	-8	0	0	0	0	0	115.4
614	S	32	Very low	32.9	Very low	110 Å²	110	118.5 Å²	118.5	77%	0.769	79%	0.792	S	S	*	*			trans	72.8	127	151.8	-85.8	0	0	0	0	123.8
615	L	34.9	Very low	33.1	Very low	157 Å²	157	116.1 Å²	116.1	82%	0.822	79%	0.79	S	S	*	*			trans	74.8	144	139.6	-61.1	168.7	0	0	0	119
616	K	32	Very low	33.2	Very low	192 Å²	192	117.5 Å²	117.5	84%	0.835	78%	0.783	S	S	*	*			cis	-163.5	152.9	-11.8	175.4	174.2	-179.3	178.8	0	109.8
617	S	29.2	Very low	33.5	Very low	109 Å²	109	120.6 Å²	120.6	76%	0.762	78%	0.78	S	S	*	*			trans	-111.3	145.7	176.5	57.7	0	0	0	0	114.3
618	A	35	Very low	33.5	Very low	105 Å²	105	117.8 Å²	117.8	87%	0.868	77%	0.767	S	S	*	*			trans	170.2	151.2	155.2	0	0	0	0	0	108.3
619	G	30	Very low	33.9	Very low	69 Å²	69	121 Å²	121	71%	0.711	78%	0.778	S	S	*	*			cis	145.5	145.4	-4.8	0	0	0	0	0	111.7
620	A	30.6	Very low	34	Very low	107 Å²	107	122.4 Å²	122.4	88%	0.884	78%	0.777	S	S	*	*			trans	65.8	158.7	174	0	0	0	0	0	117.1
621	A	31.2	Very low	33.7	Very low	90 Å²	90	120.9 Å²	120.9	74%	0.744	78%	0.777	S	S	*	*			cis	-169	170	-27.2	0	0	0	0	0	110.5
622	A	31.6	Very low	33.9	Very low	96 Å²	96	121 Å²	121	79%	0.793	79%	0.787	S	S	*	*			trans	71.2	163.4	161.4	0	0	0	0	0	116.7
623	S	32.7	Very low	33.8	Very low	96 Å²	96	119.1 Å²	119.1	67%	0.671	79%	0.788	S	S	*	*			cis	-156.9	156.5	2	-142.2	0	0	0	0	114.5
624	L	36	Very low	34	Very low	169 Å²	169	121.6 Å²	121.6	89%	0.885	79%	0.794	S	S	*	*			trans	50.7	124.5	144.9	-71.3	162.6	0	0	0	123.3
625	G	35.2	Very low	34.4	Very low	74 Å²	74	124 Å²	124	76%	0.763	80%	0.797	S	S	*	*				116.5	155.2	129.5	0	0	0	0	0	118.3
626	D	35.8	Very low	35	Very low	132 Å²	132	125.6 Å²	125.6	71%	0.706	80%	0.803	S	S	*	*			cis	-165.7	152.6	-23	-163.4	15.6	0	0	0	110.8
627	Q	37.5	Very low	35.4	Very low	164 Å²	164	121.7 Å²	121.7	77%	0.766	80%	0.797	S	S	*	*			trans	57.7	175.5	165.6	-35.6	-167.3	18.5	0	0	118.3
628	S	35	Very low	35.6	Very low	92 Å²	92	128 Å²	128	64%	0.643	80%	0.804	S	S	*	*				-151.8	159.6	-60	63.1	0	0	0	0	109.1
629	P	39.7	Very low	35.8	Very low	124 Å²	124	133 Å²	133	81%	0.805	81%	0.806	S	S	*	*			trans	-91.5	146.8	-174.9	34.9	-33.9	0	0	0	113.5
630	F	34.2	Very low	36	Very low	208 Å²	208	140.2 Å²	140.2	91%	0.912	81%	0.812	S	S	*	*			trans	-125.8	138.1	166.8	-114.3	-92.4	0	0	0	111.9
631	A	31	Very low	36.2	Very low	87 Å²	87	146.4 Å²	146.4	72%	0.719	81%	0.812	S	S	*	*			trans	-93.8	153.5	179.6	0	0	0	0	0	111.8
632	S	36.9	Very low	36.6	Very low	128 Å²	128	148.5 Å²	148.5	90%	0.895	81%	0.811	S	S	*	*			trans	-148.4	136.1	157.6	-83.3	0	0	0	0	110
633	S	35.7	Very low	36.8	Very low	122 Å²	122	153.4 Å²	153.4	85%	0.853	81%	0.814	S	S	*	*			trans	-94.4	146.2	-169.4	-59.2	0	0	0	0	111.8
634	S	37.6	Very low	37	Very low	123 Å²	123	154.5 Å²	154.5	86%	0.86	82%	0.817	S	S	*	*			trans	-147.2	147.5	142	-162.9	0	0	0	0	110.9
635	L	40.9	Very low	37.4	Very low	159 Å²	159	152.1 Å²	152.1	83%	0.832	81%	0.809	S	S	*	*			trans	-109	138.9	-173.4	-64.9	158.5	0	0	0	109.2
636	M	47.6	Very low	37.5	Very low	192 Å²	192	155.7 Å²	155.7	95%	0.946	81%	0.811	S	S	*	*			trans	-169.5	162.6	139	-99	-144.3	170.1	0	0	111.9
637	P	39.7	Very low	37.7	Very low	109 Å²	109	156.1 Å²	156.1	71%	0.708	82%	0.819	S	S	*	*			trans	-110.8	158.5	-139.8	39.8	-37	0	0	0	118.2
638	R	33.7	Very low	37.6	Very low	243 Å²	243	159.1 Å²	159.1	92%	0.917	82%	0.823	S	S	*	*			trans	3.4	125.3	148.9	-70.5	174.6	163.3	168.8	-4.3	117.6
639	K	38.7	Very low	37.9	Very low	209 Å²	209	160.4 Å²	160.4	91%	0.909	83%	0.826	S	S	*	*			trans	-132.5	106.2	152.7	-156.7	166.8	-171	171.8	0	111.6
640	R	34	Very low	37.8	Very low	220 Å²	220	162 Å²	162	83%	0.83	83%	0.828	S	S	*	*			trans	-87	129.4	169.4	-73.7	173	63.1	-163.2	0.2	109.5
641	R	36.4	Very low	38	Very low	238 Å²	238	163.6 Å²	163.6	90%	0.898	83%	0.828	S	S	*	*			trans	-156.7	89.8	157.9	-163.3	173.6	-179.3	117.6	-3.6	108.3
642	N	39.4	Very low	38.5	Very low	134 Å²	134	165.9 Å²	165.9	72%	0.717	83%	0.833	S	S	*	*				87.2	131.4	85.1	-101.7	54.7	0	0	0	113.9
643	K	34.8	Very low	38.6	Very low	198 Å²	198	166.7 Å²	166.7	86%	0.861	83%	0.827	S	S	*	*			trans	-105.5	123.1	-175.5	170.7	-179.1	176.2	178.4	0	109.4
644	V	38.1	Very low	38.7	Very low	120 Å²	120	166.4 Å²	166.4	73%	0.727	83%	0.825	S	S	*	*			trans	-149.8	100.1	179.3	174.8	0	0	0	0	104.6
645	T	43.2	Very low	38.7	Very low	118 Å²	118	168.6 Å²	168.6	72%	0.724	83%	0.826	S	S	*	*				63.1	109.2	82.7	64.3	0	0	0	0	115.1
646	D	38.4	Very low	38.5	Very low	149 Å²	149	171.8 Å²	171.8	80%	0.797	83%	0.827	S	S	*	*			trans	1.1	127.4	148.9	-149.9	-29.8	0	0	0	118.8
647	T	38.7	Very low	38.7	Very low	142 Å²	142	167.1 Å²	167.1	87%	0.871	81%	0.811	S	S	*	*				-177.4	179.9	122.7	26.1	0	0	0	0	113.9
648	R	35.7	Very low	38.7	Very low	227 Å²	227	169.3 Å²	169.3	86%	0.857	82%	0.817	S	S	*	*			trans	-97.6	-179.7	-156.1	-171.4	-177	178.1	174.3	-0.6	114.1
649	V	41.6	Very low	38.8	Very low	118 Å²	118	165.3 Å²	165.3	72%	0.715	81%	0.808	S	S	*	*			trans	86.3	116.9	154.9	-96.9	0	0	0	0	124.2
650	N	36.3	Very low	38.9	Very low	159 Å²	159	160.8 Å²	160.8	85%	0.85	80%	0.798	S	S	*	*			trans	79	155.6	132.1	-86.3	28.3	0	0	0	126.1
651	R	39.5	Very low	39.3	Very low	241 Å²	241	158.8 Å²	158.8	91%	0.909	80%	0.798	S	S	*	*			trans	-109.1	161.9	-177.2	-48.8	175.2	-173.8	163.6	-0.6	111.9
652	V	40.5	Very low	39.7	Very low	134 Å²	134	153 Å²	153	81%	0.812	79%	0.791	S	S	*	*			trans	-151.2	139.8	172.3	169	0	0	0	0	107.6
653	N	39.5	Very low	39.6	Very low	145 Å²	145	155.2 Å²	155.2	78%	0.775	80%	0.8	S	S	*	*			cis	-138.3	-115.5	-13.9	-119.1	27.4	0	0	0	111.1
654	S	37.4	Very low	39.7	Very low	117 Å²	117	148.4 Å²	148.4	82%	0.818	79%	0.786	S	S	*	*			trans	-166.3	170.2	-176.4	-68.1	0	0	0	0	111.9
655	I	38.5	Very low	39.8	Very low	169 Å²	169	153.4 Å²	153.4	87%	0.867	79%	0.793	S	S	*	*			trans	-105.7	150.3	166.8	-62.2	178.9	0	0	0	109
656	R	37.1	Very low	39.4	Very low	225 Å²	225	155.6 Å²	155.6	85%	0.849	80%	0.799	S	S	*	*			trans	-150	-166	-166.3	-126.5	-159.1	170.6	-141.5	1	112
657	P	51.1	Low	39.5	Very low	95 Å²	95	154.1 Å²	154.1	62%	0.617	80%	0.798	S	S	*	*			trans	-117.8	-153.7	-144.9	46.4	-28.9	0	0	0	113.2
658	D	40.1	Very low	39.4	Very low	155 Å²	155	152.4 Å²	152.4	83%	0.829	79%	0.792	S	S	*	*			trans	-150.9	173.4	152.8	-144	-14.8	0	0	0	113.8
659	E	36.4	Very low	39.6	Very low	159 Å²	159	149.4 Å²	149.4	74%	0.743	79%	0.789	S	S	*	*			trans	-133.3	-144.6	-154.6	-54.3	-163.3	140.6	0	0	117.6
660	T	41	Very low	39.5	Very low	113 Å²	113	149.9 Å²	149.9	69%	0.693	79%	0.792	S	S	*	*			trans	97	138.7	173.8	72.2	0	0	0	0	117.7
661	H	40.5	Very low	39.5	Very low	178 Å²	178	146.1 Å²	146.1	82%	0.824	78%	0.783	S	S	*	*			cis	-158.4	172.6	-6.7	-104	-15.5	0	0	0	113
662	P	45.8	Very low	39.4	Very low	117 Å²	117	141.7 Å²	141.7	76%	0.76	79%	0.786	S	S	*	*			trans	-131.6	173.2	-153	44.6	-31.8	0	0	0	120.5
663	M	38	Very low	39	Very low	181 Å²	181	138 Å²	138	89%	0.892	77%	0.774	S	S	*	*			trans	-172.4	172.5	151.4	-104.7	-61.6	-170.5	0	0	109.5
664	G	36.2	Very low	38.6	Very low	55 Å²	55	137.3 Å²	137.3	57%	0.567	78%	0.779	S	S	*	*			cis	172.9	159.8	-4.6	0	0	0	0	0	114.9
665	Y	41.1	Very low	38.4	Very low	225 Å²	225	136.5 Å²	136.5	88%	0.882	78%	0.78	S	S	*	*			trans	65.6	158.9	172.7	-77.4	-84.5	0	0	0	120.9
666	L	34.4	Very low	38.2	Very low	164 Å²	164	135 Å²	135	86%	0.859	78%	0.783	S	S	*	*			trans	-154.4	-173.6	-167.7	-55.2	169.7	0	0	0	109.2
667	P	41	Very low	38.1	Very low	117 Å²	117	127.3 Å²	127.3	76%	0.76	77%	0.774	S	S	*	*			cis	-136.5	177.3	-16.1	38	-19.5	0	0	0	116.8
668	S	35.4	Very low	37.7	Very low	107 Å²	107	130.1 Å²	130.1	75%	0.748	78%	0.782	S	S	*	*			trans	99.9	146.3	136.8	-143.2	0	0	0	0	123.2
669	M	39.2	Very low	37.7	Very low	163 Å²	163	129.2 Å²	129.2	80%	0.803	78%	0.777	S	S	*	*			trans	78.4	110.8	162.9	-62.6	-68.4	-84.6	0	0	122.2
670	V	40.4	Very low	37.9	Very low	128 Å²	128	127.8 Å²	127.8	78%	0.776	78%	0.775	S	S	*	*			trans	75.1	138.3	143.9	179.9	0	0	0	0	120.1
671	A	35.4	Very low	38.1	Very low	81 Å²	81	128.3 Å²	128.3	67%	0.669	78%	0.778	S	S	*	*			trans	69.7	130.4	171.8	0	0	0	0	0	118	G673	A671-G673 VanDerWaalsContact C-N 3.31Å; A671-G673 PolarHBondContact O-N 3.36Å; A671-G673 VanDerWaalsContact O-N 3.1Å
672	P	37.4	Very low	38.2	Very low	148 Å²	148	125.8 Å²	125.8	96%	0.961	77%	0.771	S	S	*	*	S	Bend	trans	-83.8	72.9	170.3	35.4	-33.2	0	0	0	110.2
673	G	32.4	Very low	38.3	Very low	55 Å²	55	127.3 Å²	127.3	57%	0.567	77%	0.771	S	S	*	*			trans	-133.7	143.9	-179.5	0	0	0	0	0	112.5	A671	A671-G673 VanDerWaalsContact C-N 3.31Å; A671-G673 PolarHBondContact O-N 3.36Å; A671-G673 VanDerWaalsContact O-N 3.1Å
674	C	31	Very low	38.6	Very low	131 Å²	131	125.8 Å²	125.8	89%	0.885	76%	0.762	S	S	*	*			trans	63.2	125.2	-178.9	-56.7	0	0	0	0	114.9
675	A	34.4	Very low	38.7	Very low	101 Å²	101	128.3 Å²	128.3	84%	0.835	77%	0.769	S	S	*	*			cis	82.1	90.7	37.9	0	0	0	0	0	114.5
676	C	34.3	Very low	38.8	Very low	137 Å²	137	125 Å²	125	93%	0.926	77%	0.765	S	S	*	*			trans	-153.5	131.5	136.5	55.3	0	0	0	0	108.3
677	G	34.6	Very low	38.9	Very low	64 Å²	64	122.6 Å²	122.6	66%	0.66	76%	0.761	S	S	*	*			cis	162	170.2	-12.1	0	0	0	0	0	111
678	I	42.9	Very low	39	Very low	153 Å²	153	121.9 Å²	121.9	79%	0.785	76%	0.757	S	S	*	*			trans	70.6	116.2	157.8	-56.2	167	0	0	0	113.6
679	D	39.7	Very low	39.2	Very low	136 Å²	136	124.1 Å²	124.1	73%	0.727	76%	0.76	S	S	*	*			cis	-126.3	141.6	1.9	-74.4	-62.5	0	0	0	107.9
680	D	41.4	Very low	39.1	Very low	130 Å²	130	124.5 Å²	124.5	70%	0.695	77%	0.766	S	S	*	*				59.5	118.3	71.8	-64.4	-99.8	0	0	0	111.1
681	T	44.8	Very low	38.9	Very low	123 Å²	123	124 Å²	124	76%	0.755	77%	0.767	S	S	*	*			cis	-145.6	148.1	27.3	30.8	0	0	0	0	111.6
682	D	42.5	Very low	39	Very low	126 Å²	126	123.7 Å²	123.7	67%	0.674	77%	0.772	S	S	*	*				66.8	135.6	69.1	-90.1	2.4	0	0	0	114.1
683	L	47.8	Very low	39.1	Very low	148 Å²	148	120.4 Å²	120.4	78%	0.775	76%	0.764	S	S	*	*			cis	-150.8	179.6	-1.7	-73.5	118.2	0	0	0	108.6
684	E	43.4	Very low	39.8	Very low	149 Å²	149	124.4 Å²	124.4	70%	0.696	78%	0.777	S	S	*	*				-158	158.4	-51.4	-100.6	-64.2	83.6	0	0	107.9
685	P	39.5	Very low	40.6	Very low	109 Å²	109	126.5 Å²	126.5	71%	0.708	78%	0.78	S	S	*	*			trans	-99.3	114.9	-177	35.1	-28.3	0	0	0	113.4
686	I	41.9	Very low	41.1	Very low	156 Å²	156	126.8 Å²	126.8	80%	0.8	78%	0.782	S	S	*	*			trans	-126.1	136.1	-178.6	-64.7	-178.2	0	0	0	114
687	S	36.8	Very low	41.5	Very low	112 Å²	112	128.4 Å²	128.4	78%	0.783	78%	0.781	S	S	*	*			trans	-157.4	158.2	161.3	-74.5	0	0	0	0	106.8
688	P	43.6	Very low	41.8	Very low	102 Å²	102	128.5 Å²	128.5	66%	0.662	78%	0.783	S	S	*	*			cis	-130.8	-164.7	-7.1	40.8	-22.9	0	0	0	112.9
689	D	38.9	Very low	41.8	Very low	154 Å²	154	126.6 Å²	126.6	82%	0.824	78%	0.783	S	S	*	*			trans	54.6	113.3	149.3	-53.1	-27.1	0	0	0	121.8
690	N	38.7	Very low	41.6	Very low	171 Å²	171	125 Å²	125	91%	0.914	79%	0.788	S	S	*	*			trans	-144.6	158.5	134.4	-166	20.9	0	0	0	110.9
691	C	36.1	Very low	41.8	Very low	118 Å²	118	126.3 Å²	126.3	80%	0.797	79%	0.794	S	S	*	*			trans	-101.3	157.6	-164.2	-177.7	0	0	0	0	114.2
692	G	37.8	Very low	41.6	Very low	75 Å²	75	123.7 Å²	123.7	77%	0.773	79%	0.791	S	S	*	*			trans	113.7	120.6	145.3	0	0	0	0	0	115.3
693	G	39	Very low	41.1	Very low	78 Å²	78	129.3 Å²	129.3	80%	0.804	81%	0.805	S	S	*	*			trans	155.2	74.6	-179.5	0	0	0	0	0	112.6
694	V	46.4	Very low	40.5	Very low	140 Å²	140	128.1 Å²	128.1	85%	0.848	80%	0.799	S	S	*	*			trans	-39.2	130.6	166.2	-72.9	0	0	0	0	114.7
695	D	48.6	Very low	40.3	Very low	174 Å²	174	126.6 Å²	126.6	93%	0.93	81%	0.805	S	S	*	*			trans	-150.7	139.8	142.9	-99.9	-38.8	0	0	0	107.6
696	A	43.9	Very low	40.3	Very low	107 Å²	107	125.2 Å²	125.2	88%	0.884	80%	0.803	S	S	*	*			trans	-134.7	84.5	-171.1	0	0	0	0	0	111.3
697	D	43.8	Very low	40.6	Very low	171 Å²	171	125.1 Å²	125.1	91%	0.914	80%	0.799	S	S	*	*			trans	-145.1	155.1	159.5	-160.1	-1.9	0	0	0	109.2
698	G	40.6	Very low	41	Very low	67 Å²	67	124.9 Å²	124.9	69%	0.691	80%	0.798	S	S	*	*			trans	-93.6	140	-161.9	0	0	0	0	0	115.5
699	S	43.4	Very low	41.8	Very low	112 Å²	112	124.6 Å²	124.6	78%	0.783	79%	0.787	S	S	*	*			trans	-155.4	128.9	139.4	-157.9	0	0	0	0	111.3
700	A	34.2	Very low	43.3	Very low	102 Å²	102	121.5 Å²	121.5	84%	0.843	77%	0.771	S	S	*	*			trans	-86	121.3	179.1	0	0	0	0	0	110.8
701	I	47.3	Very low	45.5	Very low	158 Å²	158	116.1 Å²	116.1	81%	0.81	74%	0.744	S	S	*	*			trans	-125.4	99.1	169.4	-58.7	-174.7	0	0	0	111.1
702	G	39.2	Very low	48.1	Very low	68 Å²	68	115.1 Å²	115.1	70%	0.701	73%	0.734	S	S	*	*				75.5	57.8	128.3	0	0	0	0	0	118.8	D704	G702-D704 PolarHBondContact O-N 3.12Å
703	Y	31.5	Very low	50.8	Low	244 Å²	244	112.4 Å²	112.4	96%	0.957	70%	0.702	S	S	*	*			trans	-72.1	58.2	156.8	-72.7	-82.5	0	0	0	112
704	D	36	Very low	53.3	Low	123 Å²	123	110.9 Å²	110.9	66%	0.658	68%	0.677	S	S	*	*			trans	-143.6	109.1	161.8	-160.2	-0.6	0	0	0	114.4	G702 A706	G702-D704 PolarHBondContact O-N 3.12Å; D704-A706 PolarHBondContact OD1-N 2.67Å
705	S	38.8	Very low	55.5	Low	118 Å²	118	109.4 Å²	109.4	83%	0.825	67%	0.671	S	S	*	*			trans	-145.8	37.2	147.7	-76.8	0	0	0	0	108.9	Q707	S705-Q707 PolarHBondContact O-N 3.47Å
706	A	40.3	Very low	57.5	Low	80 Å²	80	103.7 Å²	103.7	66%	0.661	64%	0.639	S	S	*	*			trans	-81.2	49.2	178.5	0	0	0	0	0	110.5	D704 S708	D704-A706 PolarHBondContact OD1-N 2.67Å; A706-S708 PolarHBondContact O-N 3.25Å
707	Q	47.8	Very low	59.9	Low	154 Å²	154	99.4 Å²	99.4	72%	0.72	60%	0.601	S	S	*	*			trans	-46.7	117.6	175.2	-74.8	-172.5	-14.3	0	0	109.1	S705 Q709	S705-Q707 PolarHBondContact O-N 3.47Å; Q707-Q709 VanDerWaalsContact C-N 3.28Å; Q707-Q709 WeakPolarHBondContact O-CG 3.26Å; Q707-Q709 PolarHBondContact O-N 2.88Å
708	S	46.1	Very low	62.3	Low	107 Å²	107	94.2 Å²	94.2	75%	0.748	57%	0.572	S	S	*	*			trans	-60.8	80.5	-166.7	-60.8	0	0	0	0	113	A706 N710	A706-S708 PolarHBondContact O-N 3.25Å; S708-N710 PolarHBondContact O-N 3.09Å; S708-N710 PolarHBondContact O-ND2 3.38Å
709	Q	59.4	Low	64.8	Low	96 Å²	96	94.3 Å²	94.3	45%	0.449	55%	0.552	S	S	.	*			trans	-63.7	106.5	-170.9	-69.4	-166.1	-20.2	0	0	111	Q707 T711 R744	Q707-Q709 VanDerWaalsContact C-N 3.28Å; Q707-Q709 WeakPolarHBondContact O-CG 3.26Å; Q707-Q709 PolarHBondContact O-N 2.88Å; Q709-T711 PolarHBondContact O-N 3.48Å; Q709-R744 HydrophobicContact CB-CB 3.72Å; Q709-R744 WeakPolarHBondContact O-CB 3.45Å
710	N	71	Confident	67.2	Low	88 Å²	88	89.3 Å²	89.3	47%	0.471	52%	0.516	S	S	.	.	B	Isolated β-bridge	trans	-69.9	124.1	-172.1	-80.4	-59.9	0	0	0	110.3	S708 T712 D742 I743 R744	S708-N710 PolarHBondContact O-N 3.09Å; S708-N710 PolarHBondContact O-ND2 3.38Å; N710-T712 VanDerWaalsContact C-N 3.31Å; N710-D742 PolarHBondContact N-O 3.17Å; N710-I743 WeakPolarHBondContact O-CA 3.26Å; N710-R744 PolarHBondContact O-N 2.86Å
711	T	85	Confident	70.1	Confident	58 Å²	58	84.4 Å²	84.4	36%	0.356	48%	0.476	S	S	.	.	S	Bend	trans	-76.6	-24.6	172.2	48.9	0	0	0	0	111.8	Q709 R744 N749	Q709-T711 PolarHBondContact O-N 3.48Å; T711-R744 HydrophobicContact CG2-CB 3.9Å; T711-R744 HydrophobicContact CG2-CG 4.26Å; T711-N749 PolarHBondContact O-ND2 3.21Å
712	T	90.3	Very high	72.4	Confident	97 Å²	97	79.3 Å²	79.3	60%	0.595	45%	0.448	S	S	*	.	S	Bend	trans	-84.2	138.2	178.9	-58.3	0	0	0	0	110.9	N710	N710-T712 VanDerWaalsContact C-N 3.31Å
713	L	93.5	Very high	75	Confident	19 Å²	19	76.4 Å²	76.4	10%	0.099	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-85.1	124.4	172.6	-59.6	-172.4	0	0	0	110.9	I743 N749 Q752 L753 W756	L713-I743 HydrophobicContact CD2-CD1 3.63Å; L713-I743 HydrophobicContact CD2-CG2 4.05Å; L713-N749 HydrophobicContact CD1-CB 4.33Å; L713-N749 HydrophobicContact CD2-CB 3.92Å; L713-N749 HydrophobicContact CG-CB 3.91Å; L713-Q752 HydrophobicContact CD1-CB 3.79Å; L713-Q752 HydrophobicContact CD1-CG 3.69Å; L713-L753 HydrophobicContact CD1-CD2 4.2Å; L713-L753 HydrophobicContact CD1-CG 3.82Å; L713-L753 HydrophobicContact CD2-CD1 4.34Å; L713-L753 HydrophobicContact CD2-CG 4.28Å; L713-W756 HydrophobicContact CB-CH2 3.64Å; L713-W756 HydrophobicContact CB-CZ2 4.08Å; L713-W756 HydrophobicContact CB-CZ3 4.48Å; L713-W756 HydrophobicContact CD1-CE3 4.42Å; L713-W756 HydrophobicContact CD1-CH2 3.61Å; L713-W756 HydrophobicContact CD1-CZ2 3.84Å; L713-W756 HydrophobicContact CD1-CZ3 3.89Å; L713-W756 HydrophobicContact CG-CH2 4.24Å
714	T	93.2	Very high	78.1	Confident	46 Å²	46	64.8 Å²	64.8	28%	0.282	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-85.8	164.9	178.5	68.5	0	0	0	0	112	M716 H717 L718	T714-M716 PolarHBondContact O-N 3.03Å; T714-M716 PolarHBondContact OG1-N 3.1Å; T714-H717 PolarHBondContact N-ND1 2.96Å; T714-H717 PolarHBondContact O-N 3.5Å; T714-H717 VanDerWaalsContact O-N 3.14Å; T714-H717 PolarHBondContact OG1-CD2 3.23Å; T714-H717 VanDerWaalsContact OG1-CG 3.27Å; T714-H717 PolarHBondContact OG1-N 2.99Å; T714-H717 VanDerWaalsContact OG1-N 3.08Å; T714-H717 PolarHBondContact OG1-NE2 2.87Å; T714-L718 PolarHBondContact O-N 3.09Å
715	P	92.5	Very high	81	Confident	109 Å²	109	58.9 Å²	58.9	71%	0.708	34%	0.339	S	S	*	.	H	α-helix	trans	-57.5	-27.7	166.7	-24.8	35.7	0	0	0	113.3	L718 R719	P715-L718 WeakPolarHBondContact O-CB 3.41Å; P715-L718 PolarHBondContact O-N 3.06Å; P715-R719 PolarHBondContact O-N 3.31Å
716	M	90	Very high	83.7	Confident	54 Å²	54	53.3 Å²	53.3	27%	0.266	30%	0.3	S	S	.	.	H	α-helix	trans	-69	-41.8	174.3	-65	-56.8	-102.5	0	0	111.3	T714 L718 R719 K720 L864 E868	T714-M716 PolarHBondContact O-N 3.03Å; T714-M716 PolarHBondContact OG1-N 3.1Å; M716-L718 PolarHBondContact O-N 3.44Å; M716-R719 WeakPolarHBondContact O-CB 3.5Å; M716-R719 PolarHBondContact O-N 3.44Å; M716-R719 PolarHBondContact SD-NH2 2.89Å; M716-K720 WeakPolarHBondContact O-CB 3.29Å; M716-K720 PolarHBondContact O-N 3.27Å; M716-L864 HydrophobicContact CB-CD1 3.78Å; M716-L864 HydrophobicContact CE-CB 3.83Å; M716-L864 HydrophobicContact CE-CD1 4.07Å; M716-L864 HydrophobicContact CG-CD1 4.47Å; M716-L864 WeakPolarHBondContact O-CD1 3.43Å; M716-L864 HydrophobicContact SD-CD1 4.12Å; M716-E868 VanDerWaalsContact CE-OE2 3.27Å; M716-E868 WeakPolarHBondContact CE-OE2 3.49Å
717	H	93.5	Very high	86.3	Confident	16 Å²	16	50.8 Å²	50.8	7%	0.074	27%	0.274	C	S	.	.	H	α-helix	trans	-62	-34.7	174.2	-49.9	167.5	0	0	0	111.1	T714 A721 F740 D742 I743 W756	T714-H717 PolarHBondContact N-ND1 2.96Å; T714-H717 PolarHBondContact O-N 3.5Å; T714-H717 VanDerWaalsContact O-N 3.14Å; T714-H717 PolarHBondContact OG1-CD2 3.23Å; T714-H717 VanDerWaalsContact OG1-CG 3.27Å; T714-H717 PolarHBondContact OG1-N 2.99Å; T714-H717 VanDerWaalsContact OG1-N 3.08Å; T714-H717 PolarHBondContact OG1-NE2 2.87Å; H717-A721 VanDerWaalsContact O-CB 3.26Å; H717-A721 WeakPolarHBondContact O-CB 3.34Å; H717-A721 PolarHBondContact O-N 2.9Å; H717-F740 HydrophobicContact CB-CD1 4.45Å; H717-F740 HydrophobicContact CB-CE1 4.07Å; H717-D742 IonicContact CD2-OD2 3.82Å; H717-D742 PolarHBondContact CD2-OD2 3.18Å; H717-D742 IonicContact CE1-OD2 2.87Å; H717-D742 IonicContact NE2-OD2 3.21Å; H717-D742 PolarHBondContact NE2-OD2 3.44Å; H717-I743 HydrophobicContact CB-CD1 4.22Å; H717-I743 VanDerWaalsContact ND1-CD1 3.27Å; H717-I743 WeakPolarHBondContact ND1-CD1 3.27Å; H717-W756 HydrophobicContact CB-CH2 4.42Å; H717-W756 HydrophobicContact CB-CZ3 4.24Å
718	L	95.2	Very high	88.6	Confident	62 Å²	62	43.7 Å²	43.7	33%	0.325	24%	0.241	S	C	.	.	H	α-helix	trans	-66.5	-40.5	173.2	179.5	63.9	0	0	0	112.3	T714 P715 M716 K722 W756 F760	T714-L718 PolarHBondContact O-N 3.09Å; P715-L718 WeakPolarHBondContact O-CB 3.41Å; P715-L718 PolarHBondContact O-N 3.06Å; M716-L718 PolarHBondContact O-N 3.44Å; L718-K722 PolarHBondContact O-N 3.38Å; L718-W756 VanDerWaalsContact CA-CZ3 3.42Å; L718-W756 HydrophobicContact CB-CE3 4.35Å; L718-W756 HydrophobicContact CB-CH2 3.63Å; L718-W756 HydrophobicContact CB-CZ2 4.06Å; L718-W756 HydrophobicContact CB-CZ3 3.82Å; L718-W756 HydrophobicContact CD1-CD2 3.6Å; L718-W756 HydrophobicContact CD1-CE3 3.8Å; L718-W756 HydrophobicContact CD1-CG 3.98Å; L718-W756 HydrophobicContact CD1-CH2 4.27Å; L718-W756 HydrophobicContact CD1-CZ2 4.12Å; L718-W756 HydrophobicContact CD1-CZ3 4.14Å; L718-F760 HydrophobicContact CD1-CE1 4.22Å; L718-F760 HydrophobicContact CD1-CZ 3.92Å
719	R	93.2	Very high	91.1	Very high	69 Å²	69	38.6 Å²	38.6	26%	0.26	21%	0.205	S	C	.	.	H	α-helix	trans	-63.8	-48.5	175.7	-158.8	-164.5	-57.9	-156.5	13.8	111.1	P715 M716 A721 K722 L723 L864 E868	P715-R719 PolarHBondContact O-N 3.31Å; M716-R719 WeakPolarHBondContact O-CB 3.5Å; M716-R719 PolarHBondContact O-N 3.44Å; M716-R719 PolarHBondContact SD-NH2 2.89Å; R719-A721 PolarHBondContact O-N 3.03Å; R719-K722 WeakPolarHBondContact O-CB 3.35Å; R719-K722 PolarHBondContact O-N 2.93Å; R719-K722 VanDerWaalsContact O-N 3.17Å; R719-L723 PolarHBondContact O-N 2.82Å; R719-L723 VanDerWaalsContact O-N 3.08Å; R719-L864 HydrophobicContact CB-CD1 4.21Å; R719-E868 IonicContact CZ-OE1 2.78Å; R719-E868 IonicContact NH1-OE1 2.65Å; R719-E868 PolarHBondContact NH1-OE1 3.26Å; R719-E868 IonicContact NH2-OE1 2.69Å; R719-E868 PolarHBondContact NH2-OE1 3.44Å; R719-E868 IonicContact NH2-OE2 2.66Å
720	K	93	Very high	92.9	Very high	7 Å²	7	37.5 Å²	37.5	3%	0.03	20%	0.197	C	C	.	.	H	α-helix	trans	-56.6	-48.1	174.5	-177.3	167.5	169.7	173.9	0	111.3	M716 K722 L723 M724 Y739 F740 D742 F858 F863 L864	M716-K720 WeakPolarHBondContact O-CB 3.29Å; M716-K720 PolarHBondContact O-N 3.27Å; K720-K722 VanDerWaalsContact C-N 3.32Å; K720-K722 PolarHBondContact O-N 3.03Å; K720-L723 PolarHBondContact O-N 3.38Å; K720-M724 HydrophobicContact CG-SD 4.25Å; K720-M724 VanDerWaalsContact O-CG 3.3Å; K720-M724 WeakPolarHBondContact O-CG 3.29Å; K720-M724 PolarHBondContact O-N 3.24Å; K720-Y739 WeakPolarHBondContact CE-O 3.42Å; K720-Y739 PolarHBondContact NZ-O 2.89Å; K720-F740 HydrophobicContact CB-CE1 3.93Å; K720-F740 HydrophobicContact CB-CZ 4.31Å; K720-F740 HydrophobicContact CD-CD1 3.94Å; K720-F740 HydrophobicContact CD-CE1 3.61Å; K720-F740 HydrophobicContact CD-CZ 4.35Å; K720-F740 HydrophobicContact CG-CD1 4.45Å; K720-F740 HydrophobicContact CG-CE1 3.66Å; K720-F740 HydrophobicContact CG-CZ 3.97Å; K720-D742 IonicContact NZ-OD1 2.6Å; K720-D742 PolarHBondContact NZ-OD1 3Å; K720-F858 WeakPolarHBondContact CE-O 3.49Å; K720-F858 PolarHBondContact NZ-O 3.03Å; K720-F863 HydrophobicContact CG-CD1 4.4Å; K720-L864 HydrophobicContact CB-CD1 3.99Å; K720-L864 HydrophobicContact CB-CG 4.42Å
721	A	95.6	Very high	94.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.1	-35.7	176.4	0	0	0	0	0	113.5	H717 R719 F725 F740 W756 F757 F760	H717-A721 VanDerWaalsContact O-CB 3.26Å; H717-A721 WeakPolarHBondContact O-CB 3.34Å; H717-A721 PolarHBondContact O-N 2.9Å; R719-A721 PolarHBondContact O-N 3.03Å; A721-F725 PolarHBondContact O-N 3.14Å; A721-F740 HydrophobicContact CB-CZ 4.02Å; A721-W756 HydrophobicContact CB-CE3 4.06Å; A721-W756 HydrophobicContact CB-CZ3 4.46Å; A721-F757 HydrophobicContact CB-CE2 3.94Å; A721-F757 HydrophobicContact CB-CZ 4.31Å; A721-F757 VanDerWaalsContact O-CZ 3.31Å; A721-F757 WeakPolarHBondContact O-CZ 3.35Å; A721-F760 HydrophobicContact CB-CE2 4.07Å; A721-F760 HydrophobicContact CB-CZ 4.37Å
722	K	95.7	Very high	94.7	Very high	51 Å²	51	34.4 Å²	34.4	22%	0.222	18%	0.184	C	C	.	.	H	α-helix	trans	-67.7	-41.6	174.1	-80.3	-172.6	158.9	-160.9	0	112.6	L718 R719 K720 F725 F760 H801 Y802	L718-K722 PolarHBondContact O-N 3.38Å; R719-K722 WeakPolarHBondContact O-CB 3.35Å; R719-K722 PolarHBondContact O-N 2.93Å; R719-K722 VanDerWaalsContact O-N 3.17Å; K720-K722 VanDerWaalsContact C-N 3.32Å; K720-K722 PolarHBondContact O-N 3.03Å; K722-F725 WeakPolarHBondContact O-CB 3.43Å; K722-F725 PolarHBondContact O-N 3.05Å; K722-F760 HydrophobicContact CB-CZ 4.42Å; K722-F760 HydrophobicContact CD-CE1 4.45Å; K722-F760 HydrophobicContact CG-CD1 4.44Å; K722-F760 HydrophobicContact CG-CE1 3.67Å; K722-F760 HydrophobicContact CG-CE2 4.07Å; K722-F760 HydrophobicContact CG-CZ 3.46Å; K722-F760 VanDerWaalsContact CG-CZ 3.46Å; K722-H801 PolarHBondContact NZ-NE2 2.94Å; K722-H801 PolarHBondContact NZ-O 3.45Å; K722-Y802 HydrophobicContact CB-CD1 4.32Å; K722-Y802 VanDerWaalsContact CB-O 3.31Å; K722-Y802 WeakPolarHBondContact CB-O 3.46Å; K722-Y802 HydrophobicContact CG-CD1 4.32Å
723	L	94.5	Very high	94.9	Very high	6 Å²	6	32.7 Å²	32.7	3%	0.031	18%	0.177	C	C	.	.	H	α-helix	trans	-66.7	-37.3	176.9	-67.4	174.9	0	0	0	112	R719 K720 F725 F726 N803 V808 F858 F863 L864 L867	R719-L723 PolarHBondContact O-N 2.82Å; R719-L723 VanDerWaalsContact O-N 3.08Å; K720-L723 PolarHBondContact O-N 3.38Å; L723-F725 PolarHBondContact O-N 2.92Å; L723-F726 HydrophobicContact CD2-CE2 4.13Å; L723-F726 PolarHBondContact O-N 3.01Å; L723-N803 HydrophobicContact CD2-CB 3.95Å; L723-V808 HydrophobicContact CD1-CG2 4.17Å; L723-V808 HydrophobicContact CD2-CB 4.38Å; L723-V808 HydrophobicContact CD2-CG2 4.27Å; L723-F858 HydrophobicContact CB-CE1 3.77Å; L723-F858 HydrophobicContact CB-CZ 4.04Å; L723-F863 HydrophobicContact CD1-CE1 4.25Å; L723-F863 HydrophobicContact CD1-CZ 4.32Å; L723-L864 HydrophobicContact CD1-CD2 4.02Å; L723-L867 HydrophobicContact CD1-CD1 4.2Å
724	M	95	Very high	95	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60	-25.4	173.1	-68.9	165.6	77	0	0	113.3	K720 F726 Y727 T728 Y739 F740 F757 I854 F858	K720-M724 HydrophobicContact CG-SD 4.25Å; K720-M724 VanDerWaalsContact O-CG 3.3Å; K720-M724 WeakPolarHBondContact O-CG 3.29Å; K720-M724 PolarHBondContact O-N 3.24Å; M724-F726 PolarHBondContact O-N 2.68Å; M724-Y727 PolarHBondContact O-N 3.44Å; M724-T728 PolarHBondContact O-N 3.43Å; M724-Y739 HydrophobicContact CE-CG 4.13Å; M724-F740 HydrophobicContact CE-CD2 4.46Å; M724-F740 HydrophobicContact CE-CE2 3.79Å; M724-F740 HydrophobicContact CE-CZ 4.49Å; M724-F740 HydrophobicContact SD-CD2 4.44Å; M724-F740 HydrophobicContact SD-CE2 3.45Å; M724-F740 WeakPolarHBondContact SD-CE2 3.24Å; M724-F740 HydrophobicContact SD-CZ 3.54Å; M724-F740 VanDerWaalsContact SD-CZ 3.54Å; M724-F757 HydrophobicContact CB-CZ 4.04Å; M724-I854 HydrophobicContact CE-CD1 3.44Å; M724-I854 VanDerWaalsContact CE-CD1 3.44Å; M724-I854 HydrophobicContact CG-CD1 4.47Å; M724-I854 HydrophobicContact CG-CG2 4.36Å; M724-F858 HydrophobicContact CB-CE1 4.36Å; M724-F858 HydrophobicContact CG-CD1 3.41Å; M724-F858 VanDerWaalsContact CG-CD1 3.41Å; M724-F858 HydrophobicContact CG-CE1 3.55Å; M724-F858 HydrophobicContact CG-CG 4.24Å; M724-F858 HydrophobicContact CG-CZ 4.47Å; M724-F858 HydrophobicContact SD-CD1 4.42Å
725	F	96.7	Very high	95.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-22.5	179.5	-167.6	-98.6	0	0	0	113.5	A721 K722 L723 Y727 T728 R729 F757 F760 R761 Y764 Y802	A721-F725 PolarHBondContact O-N 3.14Å; K722-F725 WeakPolarHBondContact O-CB 3.43Å; K722-F725 PolarHBondContact O-N 3.05Å; L723-F725 PolarHBondContact O-N 2.92Å; F725-Y727 PolarHBondContact O-N 3.2Å; F725-T728 WeakPolarHBondContact CA-O 3.48Å; F725-R729 HydrophobicContact CD2-CG 4.44Å; F725-R729 HydrophobicContact CE1-CG 4.14Å; F725-R729 HydrophobicContact CE2-CB 4.19Å; F725-R729 HydrophobicContact CE2-CG 3.83Å; F725-R729 HydrophobicContact CZ-CB 4.47Å; F725-R729 HydrophobicContact CZ-CG 3.68Å; F725-R729 VanDerWaalsContact O-CD 3.25Å; F725-R729 WeakPolarHBondContact O-CD 3.18Å; F725-F757 HydrophobicContact CB-CE1 4.42Å; F725-F757 AromaticContact CD2-CD1 3.97Å; F725-F757 HydrophobicContact CD2-CD1 3.97Å; F725-F757 HydrophobicContact CD2-CE1 4.18Å; F725-F760 HydrophobicContact CB-CD2 4.35Å; F725-F760 HydrophobicContact CD2-CB 3.54Å; F725-F760 AromaticContact CD2-CD2 3.9Å; F725-F760 HydrophobicContact CD2-CD2 3.9Å; F725-F760 HydrophobicContact CD2-CG 4.2Å; F725-F760 HydrophobicContact CE2-CB 3.41Å; F725-F760 VanDerWaalsContact CE2-CB 3.41Å; F725-F760 HydrophobicContact CG-CB 4.17Å; F725-F760 HydrophobicContact CG-CD2 4.34Å; F725-F760 HydrophobicContact CZ-CB 3.95Å; F725-R761 HydrophobicContact CE2-CG 3.91Å; F725-R761 HydrophobicContact CZ-CG 4.26Å; F725-Y764 AromaticContact CE1-CD2 3.74Å; F725-Y764 HydrophobicContact CE1-CD2 3.74Å; F725-Y764 HydrophobicContact CE1-CE2 4.4Å; F725-Y764 HydrophobicContact CE1-CG 4.06Å; F725-Y764 HydrophobicContact CZ-CD2 4.26Å; F725-Y764 HydrophobicContact CZ-CG 4.11Å; F725-Y802 HydrophobicContact CB-CD1 4.1Å; F725-Y802 HydrophobicContact CB-CE1 4.32Å; F725-Y802 AromaticContact CD1-CD1 3.87Å; F725-Y802 HydrophobicContact CD1-CD1 3.87Å; F725-Y802 HydrophobicContact CD1-CD2 4.08Å; F725-Y802 AromaticContact CD1-CE1 3.49Å; F725-Y802 HydrophobicContact CD1-CE1 3.49Å; F725-Y802 VanDerWaalsContact CD1-CE1 3.49Å; F725-Y802 AromaticContact CD1-CE2 3.71Å; F725-Y802 HydrophobicContact CD1-CE2 3.71Å; F725-Y802 HydrophobicContact CD1-CG 4.18Å; F725-Y802 AromaticContact CD1-CZ 3.41Å; F725-Y802 VanDerWaalsContact CD1-CZ 3.41Å; F725-Y802 AromaticContact CE1-CE1 3.86Å; F725-Y802 HydrophobicContact CE1-CE1 3.86Å; F725-Y802 AromaticContact CE1-CE2 3.76Å; F725-Y802 HydrophobicContact CE1-CE2 3.76Å; F725-Y802 AromaticContact CE1-CZ 3.37Å; F725-Y802 VanDerWaalsContact CE1-OH 3.3Å; F725-Y802 WeakPolarHBondContact CE1-OH 3.49Å; F725-Y802 HydrophobicContact CG-CD1 4.16Å; F725-Y802 AromaticContact CG-CE1 3.89Å; F725-Y802 HydrophobicContact CG-CE1 3.89Å
726	F	95.3	Very high	95.3	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-29.7	172.3	-68.7	-41.2	0	0	0	112.9	L723 M724 R729 Y802 N803 A810 P811 F814	L723-F726 HydrophobicContact CD2-CE2 4.13Å; L723-F726 PolarHBondContact O-N 3.01Å; M724-F726 PolarHBondContact O-N 2.68Å; F726-R729 PolarHBondContact O-NH1 3.28Å; F726-Y802 HydrophobicContact CE1-CD2 4.37Å; F726-N803 HydrophobicContact CE2-CB 3.77Å; F726-N803 HydrophobicContact CZ-CB 3.62Å; F726-A810 HydrophobicContact CD1-CB 4.27Å; F726-A810 HydrophobicContact CD2-CB 4.38Å; F726-A810 HydrophobicContact CE1-CB 3.9Å; F726-A810 HydrophobicContact CE2-CB 4Å; F726-A810 HydrophobicContact CG-CB 4.5Å; F726-A810 HydrophobicContact CZ-CB 3.75Å; F726-P811 HydrophobicContact CB-CG 4.42Å; F726-F814 HydrophobicContact CB-CB 4.45Å; F726-F814 HydrophobicContact CB-CD2 4.42Å; F726-F814 HydrophobicContact CB-CG 4.36Å; F726-F814 AromaticContact CD1-CD1 3.61Å; F726-F814 HydrophobicContact CD1-CD1 3.61Å; F726-F814 HydrophobicContact CD1-CD2 4.01Å; F726-F814 AromaticContact CD1-CE1 3.65Å; F726-F814 HydrophobicContact CD1-CE1 3.65Å; F726-F814 HydrophobicContact CD1-CE2 4.03Å; F726-F814 AromaticContact CD1-CG 3.79Å; F726-F814 HydrophobicContact CD1-CG 3.79Å; F726-F814 AromaticContact CD1-CZ 3.86Å; F726-F814 HydrophobicContact CD1-CZ 3.86Å; F726-F814 HydrophobicContact CE1-CD1 4.01Å; F726-F814 AromaticContact CE1-CE1 3.76Å; F726-F814 HydrophobicContact CE1-CE1 3.76Å; F726-F814 HydrophobicContact CE1-CZ 4.17Å; F726-F814 HydrophobicContact CG-CG 4.5Å; F726-F814 WeakPolarHBondContact O-CD2 3.43Å
727	Y	96	Very high	95.5	Very high	27 Å²	27	35 Å²	35	11%	0.106	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-51.2	-179.5	-58.6	-85.8	0	0	0	111.3	M724 F725 R729 P811 D852 P855 Y857 F858	M724-Y727 PolarHBondContact O-N 3.44Å; F725-Y727 PolarHBondContact O-N 3.2Å; Y727-R729 VanDerWaalsContact O-CZ 3.22Å; Y727-R729 PolarHBondContact O-NH1 3.19Å; Y727-R729 PolarHBondContact O-NH2 2.82Å; Y727-P811 HydrophobicContact CD1-CG 4.32Å; Y727-P811 HydrophobicContact CE1-CB 4.43Å; Y727-P811 HydrophobicContact CE1-CG 3.54Å; Y727-P811 HydrophobicContact CE2-CG 4.17Å; Y727-P811 VanDerWaalsContact CZ-CG 3.45Å; Y727-P811 WeakPolarHBondContact OH-CG 3.37Å; Y727-D852 HydrophobicContact CD1-CB 4.37Å; Y727-D852 PolarHBondContact O-N 2.95Å; Y727-P855 HydrophobicContact CD1-CG 4.13Å; Y727-P855 VanDerWaalsContact CE1-CD 3.49Å; Y727-P855 HydrophobicContact CE1-CG 3.52Å; Y727-P855 HydrophobicContact CE2-CG 4.14Å; Y727-Y857 PolarHBondContact OH-OH 3.48Å; Y727-F858 HydrophobicContact CD2-CE2 4.02Å; Y727-F858 HydrophobicContact CD2-CZ 4.19Å; Y727-F858 AromaticContact CE2-CE2 3.54Å; Y727-F858 HydrophobicContact CE2-CE2 3.54Å; Y727-F858 AromaticContact CE2-CZ 3.82Å; Y727-F858 HydrophobicContact CE2-CZ 3.82Å
728	T	96.9	Very high	95.5	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.031	20%	0.195	C	C	.	.			trans	-125.4	128.7	-178.3	176.9	0	0	0	0	113.4	M724 F725 Y730 P731 L735 D851 I854	M724-T728 PolarHBondContact O-N 3.43Å; F725-T728 WeakPolarHBondContact CA-O 3.48Å; T728-Y730 PolarHBondContact OG1-N 3.23Å; T728-P731 HydrophobicContact CG2-CB 3.93Å; T728-P731 HydrophobicContact CG2-CG 4.3Å; T728-P731 WeakPolarHBondContact OG1-CD 3.46Å; T728-L735 HydrophobicContact CG2-CD2 4.29Å; T728-D851 WeakPolarHBondContact CA-OD2 3.37Å; T728-D851 WeakPolarHBondContact CB-OD2 3.29Å; T728-D851 PolarHBondContact OG1-OD2 2.57Å; T728-I854 HydrophobicContact CG2-CD1 3.6Å; T728-I854 HydrophobicContact CG2-CG1 3.82Å
729	R	97.6	Very high	95.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-91.1	-24.6	172.8	-78.6	53.5	58	164.2	6.7	110.8	F725 F726 Y727 P731 R761 I847 M850 D851	F725-R729 HydrophobicContact CD2-CG 4.44Å; F725-R729 HydrophobicContact CE1-CG 4.14Å; F725-R729 HydrophobicContact CE2-CB 4.19Å; F725-R729 HydrophobicContact CE2-CG 3.83Å; F725-R729 HydrophobicContact CZ-CB 4.47Å; F725-R729 HydrophobicContact CZ-CG 3.68Å; F725-R729 VanDerWaalsContact O-CD 3.25Å; F725-R729 WeakPolarHBondContact O-CD 3.18Å; F726-R729 PolarHBondContact O-NH1 3.28Å; Y727-R729 VanDerWaalsContact O-CZ 3.22Å; Y727-R729 PolarHBondContact O-NH1 3.19Å; Y727-R729 PolarHBondContact O-NH2 2.82Å; R729-P731 VanDerWaalsContact C-CD 3.42Å; R729-R761 HydrophobicContact CB-CG 4.35Å; R729-R761 VanDerWaalsContact O-CD 3.29Å; R729-R761 WeakPolarHBondContact O-CD 3.35Å; R729-R761 PolarHBondContact O-NH1 3.2Å; R729-I847 HydrophobicContact CG-CG2 4.47Å; R729-M850 PolarHBondContact NH2-O 3.04Å; R729-D851 IonicContact CZ-OD1 3.41Å; R729-D851 PolarHBondContact N-OD1 2.99Å; R729-D851 PolarHBondContact N-OD2 2.83Å; R729-D851 IonicContact NE-OD1 3.3Å; R729-D851 PolarHBondContact NE-OD1 3.2Å; R729-D851 VanDerWaalsContact NH2-CA 3.34Å; R729-D851 IonicContact NH2-OD1 3.86Å; R729-D851 PolarHBondContact NH2-OD1 3Å
730	Y	97.5	Very high	95.5	Very high	73 Å²	73	31.2 Å²	31.2	29%	0.286	17%	0.171	S	C	.	.	S	Bend	trans	-126.9	52.4	-172.7	-67.6	-91.6	0	0	0	113.5	T728 S732 R761 Y765 A848 D851	T728-Y730 PolarHBondContact OG1-N 3.23Å; Y730-S732 PolarHBondContact O-N 3.41Å; Y730-R761 VanDerWaalsContact CE1-CD 3.48Å; Y730-Y765 PolarHBondContact OH-OH 3.08Å; Y730-A848 HydrophobicContact CD2-CB 3.71Å; Y730-A848 HydrophobicContact CE2-CB 3.86Å; Y730-A848 HydrophobicContact CG-CB 4.07Å; Y730-D851 PolarHBondContact N-OD2 2.89Å
731	P	97.1	Very high	95.5	Very high	16 Å²	16	34.1 Å²	34.1	10%	0.104	19%	0.191	C	C	.	.			trans	-63.2	138.5	179.6	28.2	-36.2	0	0	0	111.6	T728 R729 L735 L736 F757	T728-P731 HydrophobicContact CG2-CB 3.93Å; T728-P731 HydrophobicContact CG2-CG 4.3Å; T728-P731 WeakPolarHBondContact OG1-CD 3.46Å; R729-P731 VanDerWaalsContact C-CD 3.42Å; P731-L735 HydrophobicContact CB-CD2 3.95Å; P731-L736 HydrophobicContact CB-CD2 4.14Å; P731-L736 HydrophobicContact CB-CG 4.17Å; P731-L736 HydrophobicContact CG-CD2 4.1Å; P731-L736 HydrophobicContact CG-CG 4.4Å; P731-F757 HydrophobicContact CG-CB 4.32Å; P731-F757 HydrophobicContact CG-CD1 3.49Å; P731-F757 VanDerWaalsContact CG-CD1 3.49Å; P731-F757 HydrophobicContact CG-CD2 3.79Å; P731-F757 HydrophobicContact CG-CE1 3.65Å; P731-F757 HydrophobicContact CG-CE2 3.94Å; P731-F757 HydrophobicContact CG-CG 3.58Å; P731-F757 HydrophobicContact CG-CZ 3.87Å
732	S	96.2	Very high	95.2	Very high	64 Å²	64	36 Å²	36	45%	0.448	20%	0.2	S	C	.	.			trans	-75.3	161.1	172.5	76.3	0	0	0	0	111.2	Y730 V734 L735 L736	Y730-S732 PolarHBondContact O-N 3.41Å; S732-V734 PolarHBondContact O-N 3.48Å; S732-V734 PolarHBondContact OG-N 2.6Å; S732-L735 PolarHBondContact O-N 3.14Å; S732-L735 VanDerWaalsContact O-N 3.14Å; S732-L735 PolarHBondContact OG-N 3.07Å; S732-L736 WeakPolarHBondContact O-CG 3.29Å; S732-L736 PolarHBondContact O-N 2.75Å
733	S	95	Very high	95.1	Very high	62 Å²	62	33.8 Å²	33.8	43%	0.434	19%	0.191	S	C	.	.	H	α-helix	trans	-62.8	-24.6	173.2	50.2	0	0	0	0	113.2	K737	S733-K737 WeakPolarHBondContact O-CG 3.43Å; S733-K737 PolarHBondContact O-N 2.62Å
734	V	95.7	Very high	95	Very high	105 Å²	105	40.3 Å²	40.3	64%	0.636	22%	0.216	S	C	*	.	H	α-helix	trans	-74.1	-43.1	172.6	-177.8	0	0	0	0	110.5	S732 L736 K737 A738	S732-V734 PolarHBondContact O-N 3.48Å; S732-V734 PolarHBondContact OG-N 2.6Å; V734-L736 PolarHBondContact O-N 2.86Å; V734-K737 WeakPolarHBondContact O-CB 3.44Å; V734-K737 PolarHBondContact O-N 2.74Å; V734-A738 PolarHBondContact O-N 3.34Å; V734-A738 VanDerWaalsContact O-N 3.1Å
735	L	95.6	Very high	94.9	Very high	55 Å²	55	42.5 Å²	42.5	29%	0.288	23%	0.225	S	C	.	.	H	α-helix	trans	-62.9	-43.6	176.2	-166.7	68.9	0	0	0	110.9	T728 P731 S732 K737 A738 Y739 I854	T728-L735 HydrophobicContact CG2-CD2 4.29Å; P731-L735 HydrophobicContact CB-CD2 3.95Å; S732-L735 PolarHBondContact O-N 3.14Å; S732-L735 VanDerWaalsContact O-N 3.14Å; S732-L735 PolarHBondContact OG-N 3.07Å; L735-K737 VanDerWaalsContact C-N 3.3Å; L735-K737 PolarHBondContact O-N 3.36Å; L735-A738 PolarHBondContact O-N 2.92Å; L735-A738 VanDerWaalsContact O-N 3.12Å; L735-Y739 HydrophobicContact CD1-CD2 3.94Å; L735-Y739 HydrophobicContact CD1-CE2 3.62Å; L735-Y739 HydrophobicContact CG-CD2 4.16Å; L735-Y739 HydrophobicContact CG-CE2 4.29Å; L735-Y739 WeakPolarHBondContact O-CD2 3.28Å; L735-Y739 PolarHBondContact O-N 3.01Å; L735-I854 HydrophobicContact CD2-CD1 4.03Å; L735-I854 HydrophobicContact CG-CD1 4.27Å
736	L	96.2	Very high	94.7	Very high	1 Å²	1	45 Å²	45	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-58.8	-40.6	174.4	-68.2	169.8	0	0	0	112.1	P731 S732 V734 A738 Y739 F740 F745 L753 V754 F757	P731-L736 HydrophobicContact CB-CD2 4.14Å; P731-L736 HydrophobicContact CB-CG 4.17Å; P731-L736 HydrophobicContact CG-CD2 4.1Å; P731-L736 HydrophobicContact CG-CG 4.4Å; S732-L736 WeakPolarHBondContact O-CG 3.29Å; S732-L736 PolarHBondContact O-N 2.75Å; V734-L736 PolarHBondContact O-N 2.86Å; L736-A738 VanDerWaalsContact C-N 3.33Å; L736-A738 PolarHBondContact O-N 3.45Å; L736-Y739 PolarHBondContact O-N 3.4Å; L736-F740 HydrophobicContact CD2-CE2 4.14Å; L736-F740 WeakPolarHBondContact O-CD2 3.3Å; L736-F740 PolarHBondContact O-N 2.91Å; L736-F745 HydrophobicContact CB-CE1 4.39Å; L736-F745 HydrophobicContact CB-CZ 4.46Å; L736-F745 WeakPolarHBondContact O-CZ 3.25Å; L736-L753 HydrophobicContact CD1-CB 4.06Å; L736-V754 HydrophobicContact CD1-CG2 3.84Å; L736-F757 HydrophobicContact CD2-CD2 4.11Å; L736-F757 HydrophobicContact CD2-CE2 3.65Å; L736-F757 HydrophobicContact CD2-CZ 4.42Å
737	K	94.1	Very high	94.7	Very high	116 Å²	116	53.7 Å²	53.7	50%	0.504	28%	0.276	S	S	.	.	H	α-helix	trans	-61.7	-38	174.7	-78.6	179	170.8	-158.5	0	113.4	S733 V734 L735 Y739 F745	S733-K737 WeakPolarHBondContact O-CG 3.43Å; S733-K737 PolarHBondContact O-N 2.62Å; V734-K737 WeakPolarHBondContact O-CB 3.44Å; V734-K737 PolarHBondContact O-N 2.74Å; L735-K737 VanDerWaalsContact C-N 3.3Å; L735-K737 PolarHBondContact O-N 3.36Å; K737-Y739 VanDerWaalsContact C-N 3.35Å; K737-Y739 PolarHBondContact O-N 3.29Å; K737-F745 HydrophobicContact CB-CD2 4.44Å; K737-F745 HydrophobicContact CB-CE2 4.31Å; K737-F745 HydrophobicContact CB-CZ 4.49Å; K737-F745 HydrophobicContact CD-CG 4.44Å; K737-F745 HydrophobicContact CG-CB 4.3Å; K737-F745 HydrophobicContact CG-CD1 3.75Å; K737-F745 HydrophobicContact CG-CD2 3.75Å; K737-F745 HydrophobicContact CG-CE1 3.95Å; K737-F745 HydrophobicContact CG-CE2 3.97Å; K737-F745 HydrophobicContact CG-CG 3.66Å; K737-F745 HydrophobicContact CG-CZ 4.07Å
738	A	94.1	Very high	94.6	Very high	47 Å²	47	58.4 Å²	58.4	39%	0.388	30%	0.303	S	S	.	.	H	α-helix	trans	-74.5	-20.4	-178.8	0	0	0	0	0	114.4	V734 L735 L736 K859	V734-A738 PolarHBondContact O-N 3.34Å; V734-A738 VanDerWaalsContact O-N 3.1Å; L735-A738 PolarHBondContact O-N 2.92Å; L735-A738 VanDerWaalsContact O-N 3.12Å; L736-A738 VanDerWaalsContact C-N 3.33Å; L736-A738 PolarHBondContact O-N 3.45Å; A738-K859 VanDerWaalsContact O-CD 3.31Å; A738-K859 WeakPolarHBondContact O-CD 3.47Å; A738-K859 WeakPolarHBondContact O-CE 3.49Å; A738-K859 WeakPolarHBondContact O-CG 3.31Å
739	Y	94.6	Very high	94.6	Very high	20 Å²	20	58.2 Å²	58.2	8%	0.078	30%	0.302	C	S	.	.	H	α-helix	trans	-109.3	-0.5	-176.6	-76.7	-88.2	0	0	0	114.7	K720 M724 L735 L736 K737 P741 I854 F858 K859	K720-Y739 WeakPolarHBondContact CE-O 3.42Å; K720-Y739 PolarHBondContact NZ-O 2.89Å; M724-Y739 HydrophobicContact CE-CG 4.13Å; L735-Y739 HydrophobicContact CD1-CD2 3.94Å; L735-Y739 HydrophobicContact CD1-CE2 3.62Å; L735-Y739 HydrophobicContact CG-CD2 4.16Å; L735-Y739 HydrophobicContact CG-CE2 4.29Å; L735-Y739 WeakPolarHBondContact O-CD2 3.28Å; L735-Y739 PolarHBondContact O-N 3.01Å; L736-Y739 PolarHBondContact O-N 3.4Å; K737-Y739 VanDerWaalsContact C-N 3.35Å; K737-Y739 PolarHBondContact O-N 3.29Å; Y739-P741 VanDerWaalsContact C-CD 3.49Å; Y739-I854 HydrophobicContact CD1-CB 4.26Å; Y739-I854 HydrophobicContact CD1-CD1 4.47Å; Y739-I854 HydrophobicContact CD1-CG2 4Å; Y739-I854 HydrophobicContact CD2-CD1 4.07Å; Y739-I854 HydrophobicContact CE1-CB 3.74Å; Y739-I854 HydrophobicContact CE1-CG2 3.8Å; Y739-I854 HydrophobicContact CE2-CB 4.29Å; Y739-I854 HydrophobicContact CE2-CD1 4.27Å; Y739-I854 HydrophobicContact CG-CD1 4.19Å; Y739-I854 PolarHBondContact OH-O 3.06Å; Y739-F858 HydrophobicContact CD1-CB 3.67Å; Y739-F858 HydrophobicContact CE1-CB 4.11Å; Y739-K859 HydrophobicContact CD1-CD 4.5Å; Y739-K859 HydrophobicContact CD1-CG 3.54Å; Y739-K859 HydrophobicContact CE1-CD 4.35Å; Y739-K859 HydrophobicContact CE1-CG 3.66Å; Y739-K859 HydrophobicContact CG-CG 4.18Å
740	F	93.7	Very high	94.5	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.311	C	S	.	.			trans	-129.6	61.9	172.1	-68	-87.7	0	0	0	111.1	H717 K720 A721 M724 L736 D742 I743 F745 L753	H717-F740 HydrophobicContact CB-CD1 4.45Å; H717-F740 HydrophobicContact CB-CE1 4.07Å; K720-F740 HydrophobicContact CB-CE1 3.93Å; K720-F740 HydrophobicContact CB-CZ 4.31Å; K720-F740 HydrophobicContact CD-CD1 3.94Å; K720-F740 HydrophobicContact CD-CE1 3.61Å; K720-F740 HydrophobicContact CD-CZ 4.35Å; K720-F740 HydrophobicContact CG-CD1 4.45Å; K720-F740 HydrophobicContact CG-CE1 3.66Å; K720-F740 HydrophobicContact CG-CZ 3.97Å; A721-F740 HydrophobicContact CB-CZ 4.02Å; M724-F740 HydrophobicContact CE-CD2 4.46Å; M724-F740 HydrophobicContact CE-CE2 3.79Å; M724-F740 HydrophobicContact CE-CZ 4.49Å; M724-F740 HydrophobicContact SD-CD2 4.44Å; M724-F740 HydrophobicContact SD-CE2 3.45Å; M724-F740 WeakPolarHBondContact SD-CE2 3.24Å; M724-F740 HydrophobicContact SD-CZ 3.54Å; M724-F740 VanDerWaalsContact SD-CZ 3.54Å; L736-F740 HydrophobicContact CD2-CE2 4.14Å; L736-F740 WeakPolarHBondContact O-CD2 3.3Å; L736-F740 PolarHBondContact O-N 2.91Å; F740-D742 VanDerWaalsContact CA-OD1 3.23Å; F740-D742 WeakPolarHBondContact CA-OD1 3.46Å; F740-D742 PolarHBondContact O-N 3.27Å; F740-D742 VanDerWaalsContact O-N 3.17Å; F740-I743 HydrophobicContact CB-CB 4.34Å; F740-I743 HydrophobicContact CB-CD1 3.59Å; F740-I743 HydrophobicContact CB-CG1 3.9Å; F740-I743 HydrophobicContact CD1-CD1 3.59Å; F740-I743 HydrophobicContact CD1-CG1 4.46Å; F740-I743 HydrophobicContact CE1-CD1 4.47Å; F740-I743 HydrophobicContact CG-CD1 3.8Å; F740-I743 PolarHBondContact O-N 2.89Å; F740-I743 VanDerWaalsContact O-N 3.13Å; F740-F745 HydrophobicContact CB-CE2 4.06Å; F740-F745 HydrophobicContact CB-CZ 4.03Å; F740-F745 WeakPolarHBondContact O-CE2 3.44Å; F740-L753 HydrophobicContact CE2-CD2 4.16Å; F740-L753 HydrophobicContact CZ-CD2 4.19Å
741	P	92.1	Very high	94.4	Very high	67 Å²	67	59 Å²	59	44%	0.435	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-21.6	-179.4	28.7	-36	0	0	0	113	Y739 I743 K859	Y739-P741 VanDerWaalsContact C-CD 3.49Å; P741-I743 PolarHBondContact O-N 3.06Å; P741-K859 WeakPolarHBondContact CG-O 3.26Å
742	D	89.8	Confident	94.4	Very high	39 Å²	39	62.5 Å²	62.5	21%	0.209	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-13.7	173.9	48.5	-65.8	0	0	0	114.9	N710 H717 K720 F740	N710-D742 PolarHBondContact N-O 3.17Å; H717-D742 IonicContact CD2-OD2 3.82Å; H717-D742 PolarHBondContact CD2-OD2 3.18Å; H717-D742 IonicContact CE1-OD2 2.87Å; H717-D742 IonicContact NE2-OD2 3.21Å; H717-D742 PolarHBondContact NE2-OD2 3.44Å; K720-D742 IonicContact NZ-OD1 2.6Å; K720-D742 PolarHBondContact NZ-OD1 3Å; F740-D742 VanDerWaalsContact CA-OD1 3.23Å; F740-D742 WeakPolarHBondContact CA-OD1 3.46Å; F740-D742 PolarHBondContact O-N 3.27Å; F740-D742 VanDerWaalsContact O-N 3.17Å
743	I	92.4	Very high	94.5	Very high	5 Å²	5	59.4 Å²	59.4	3%	0.026	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-112.1	124.5	-169	-54.8	-176.7	0	0	0	111.8	N710 L713 H717 F740 P741 F745 N749	N710-I743 WeakPolarHBondContact O-CA 3.26Å; L713-I743 HydrophobicContact CD2-CD1 3.63Å; L713-I743 HydrophobicContact CD2-CG2 4.05Å; H717-I743 HydrophobicContact CB-CD1 4.22Å; H717-I743 VanDerWaalsContact ND1-CD1 3.27Å; H717-I743 WeakPolarHBondContact ND1-CD1 3.27Å; F740-I743 HydrophobicContact CB-CB 4.34Å; F740-I743 HydrophobicContact CB-CD1 3.59Å; F740-I743 HydrophobicContact CB-CG1 3.9Å; F740-I743 HydrophobicContact CD1-CD1 3.59Å; F740-I743 HydrophobicContact CD1-CG1 4.46Å; F740-I743 HydrophobicContact CE1-CD1 4.47Å; F740-I743 HydrophobicContact CG-CD1 3.8Å; F740-I743 PolarHBondContact O-N 2.89Å; F740-I743 VanDerWaalsContact O-N 3.13Å; P741-I743 PolarHBondContact O-N 3.06Å; I743-F745 HydrophobicContact CB-CD2 4.28Å; I743-F745 HydrophobicContact CB-CE2 3.98Å; I743-F745 HydrophobicContact CG2-CD2 4.36Å; I743-F745 HydrophobicContact CG2-CE2 4.32Å; I743-F745 WeakPolarHBondContact O-CD2 3.41Å; I743-F745 PolarHBondContact O-N 3.44Å; I743-N749 WeakPolarHBondContact CG2-ND2 3.46Å
744	R	92.7	Very high	94.6	Very high	144 Å²	144	59.5 Å²	59.5	54%	0.543	31%	0.312	S	S	.	.			trans	-75.2	92.1	170.2	-168.5	158.5	58.8	-168.8	-3.1	110.2	Q709 N710 T711 N746 N749	Q709-R744 HydrophobicContact CB-CB 3.72Å; Q709-R744 WeakPolarHBondContact O-CB 3.45Å; N710-R744 PolarHBondContact O-N 2.86Å; T711-R744 HydrophobicContact CG2-CB 3.9Å; T711-R744 HydrophobicContact CG2-CG 4.26Å; R744-N746 PolarHBondContact O-N 3.05Å; R744-N749 PolarHBondContact O-ND2 2.93Å
745	F	94.1	Very high	94.7	Very high	45 Å²	45	59.7 Å²	59.7	20%	0.197	30%	0.304	C	S	.	.			trans	-61.5	118.3	-174.9	-84.3	-93.2	0	0	0	113.1	L736 K737 F740 I743 N749 L753	L736-F745 HydrophobicContact CB-CE1 4.39Å; L736-F745 HydrophobicContact CB-CZ 4.46Å; L736-F745 WeakPolarHBondContact O-CZ 3.25Å; K737-F745 HydrophobicContact CB-CD2 4.44Å; K737-F745 HydrophobicContact CB-CE2 4.31Å; K737-F745 HydrophobicContact CB-CZ 4.49Å; K737-F745 HydrophobicContact CD-CG 4.44Å; K737-F745 HydrophobicContact CG-CB 4.3Å; K737-F745 HydrophobicContact CG-CD1 3.75Å; K737-F745 HydrophobicContact CG-CD2 3.75Å; K737-F745 HydrophobicContact CG-CE1 3.95Å; K737-F745 HydrophobicContact CG-CE2 3.97Å; K737-F745 HydrophobicContact CG-CG 3.66Å; K737-F745 HydrophobicContact CG-CZ 4.07Å; F740-F745 HydrophobicContact CB-CE2 4.06Å; F740-F745 HydrophobicContact CB-CZ 4.03Å; F740-F745 WeakPolarHBondContact O-CE2 3.44Å; I743-F745 HydrophobicContact CB-CD2 4.28Å; I743-F745 HydrophobicContact CB-CE2 3.98Å; I743-F745 HydrophobicContact CG2-CD2 4.36Å; I743-F745 HydrophobicContact CG2-CE2 4.32Å; I743-F745 WeakPolarHBondContact O-CD2 3.41Å; I743-F745 PolarHBondContact O-N 3.44Å; F745-N749 WeakPolarHBondContact CA-OD1 3.37Å; F745-L753 HydrophobicContact CE1-CD1 3.53Å; F745-L753 HydrophobicContact CZ-CD1 3.79Å
746	N	92.8	Very high	94.8	Very high	52 Å²	52	58.8 Å²	58.8	28%	0.278	30%	0.297	S	S	.	.			trans	-125.6	173.4	172.6	66.7	67	0	0	0	110.3	R744 N748 N749 T750	R744-N746 PolarHBondContact O-N 3.05Å; N746-N748 PolarHBondContact O-N 3.2Å; N746-N748 WeakPolarHBondContact OD1-CA 3.44Å; N746-N748 WeakPolarHBondContact OD1-CB 3.32Å; N746-N748 PolarHBondContact OD1-N 3.48Å; N746-N749 PolarHBondContact N-OD1 3.33Å; N746-N749 PolarHBondContact ND2-ND2 3.07Å; N746-N749 PolarHBondContact O-OD1 2.74Å; N746-N749 PolarHBondContact OD1-N 3.23Å; N746-T750 VanDerWaalsContact O-CB 3.29Å; N746-T750 WeakPolarHBondContact O-CB 3.14Å; N746-T750 PolarHBondContact O-N 3.35Å; N746-T750 PolarHBondContact O-OG1 3.41Å
747	K	94.2	Very high	94.9	Very high	185 Å²	185	58.8 Å²	58.8	80%	0.804	30%	0.297	S	S	*	.	H	α-helix	trans	-59.6	-30.8	-176.5	-171.6	172.9	-178.7	174.8	0	113.7	A751	K747-A751 WeakPolarHBondContact O-CB 3.36Å; K747-A751 PolarHBondContact O-N 2.91Å
748	N	94.9	Very high	95	Very high	125 Å²	125	55.4 Å²	55.4	67%	0.668	29%	0.288	S	S	*	.	H	α-helix	trans	-81.2	-51.8	-175.8	-54	-32.2	0	0	0	111	N746 T750 A751 Q752	N746-N748 PolarHBondContact O-N 3.2Å; N746-N748 WeakPolarHBondContact OD1-CA 3.44Å; N746-N748 WeakPolarHBondContact OD1-CB 3.32Å; N746-N748 PolarHBondContact OD1-N 3.48Å; N748-T750 PolarHBondContact O-N 3.06Å; N748-A751 PolarHBondContact O-N 2.92Å; N748-Q752 WeakPolarHBondContact O-CB 3.49Å; N748-Q752 PolarHBondContact O-N 2.79Å
749	N	95.6	Very high	95.2	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.011	29%	0.286	C	S	.	.	H	α-helix	trans	-69	-32.9	-179.6	68.2	10.6	0	0	0	112.4	T711 L713 I743 R744 F745 N746 A751 Q752 L753	T711-N749 PolarHBondContact O-ND2 3.21Å; L713-N749 HydrophobicContact CD1-CB 4.33Å; L713-N749 HydrophobicContact CD2-CB 3.92Å; L713-N749 HydrophobicContact CG-CB 3.91Å; I743-N749 WeakPolarHBondContact CG2-ND2 3.46Å; R744-N749 PolarHBondContact O-ND2 2.93Å; F745-N749 WeakPolarHBondContact CA-OD1 3.37Å; N746-N749 PolarHBondContact N-OD1 3.33Å; N746-N749 PolarHBondContact ND2-ND2 3.07Å; N746-N749 PolarHBondContact O-OD1 2.74Å; N746-N749 PolarHBondContact OD1-N 3.23Å; N749-A751 PolarHBondContact O-N 3.2Å; N749-Q752 PolarHBondContact O-N 3.31Å; N749-L753 PolarHBondContact O-N 3.22Å
750	T	96.1	Very high	95.4	Very high	29 Å²	29	55.7 Å²	55.7	18%	0.178	28%	0.284	C	S	.	.	H	α-helix	trans	-58.9	-47.2	169.5	-51.9	0	0	0	0	111.1	N746 N748 Q752 V754	N746-T750 VanDerWaalsContact O-CB 3.29Å; N746-T750 WeakPolarHBondContact O-CB 3.14Å; N746-T750 PolarHBondContact O-N 3.35Å; N746-T750 PolarHBondContact O-OG1 3.41Å; N748-T750 PolarHBondContact O-N 3.06Å; T750-Q752 VanDerWaalsContact C-N 3.32Å; T750-Q752 PolarHBondContact O-N 3.12Å; T750-V754 WeakPolarHBondContact O-CG2 3.18Å; T750-V754 PolarHBondContact O-N 3.17Å; T750-V754 VanDerWaalsContact O-N 3.09Å
751	A	96.4	Very high	95.6	Very high	60 Å²	60	57.8 Å²	57.8	50%	0.496	29%	0.292	S	S	.	.	H	α-helix	trans	-66.9	-33.8	178.4	0	0	0	0	0	112.2	K747 N748 N749 K755	K747-A751 WeakPolarHBondContact O-CB 3.36Å; K747-A751 PolarHBondContact O-N 2.91Å; N748-A751 PolarHBondContact O-N 2.92Å; N749-A751 PolarHBondContact O-N 3.2Å; A751-K755 VanDerWaalsContact O-CB 3.29Å; A751-K755 WeakPolarHBondContact O-CB 3.49Å; A751-K755 PolarHBondContact O-N 3.02Å
752	Q	96.4	Very high	95.9	Very high	89 Å²	89	59.2 Å²	59.2	42%	0.416	29%	0.292	S	S	.	.	H	α-helix	trans	-68.1	-46.3	177.3	-169.5	177.8	-1	0	0	111.9	L713 N748 N749 T750 V754 K755 W756	L713-Q752 HydrophobicContact CD1-CB 3.79Å; L713-Q752 HydrophobicContact CD1-CG 3.69Å; N748-Q752 WeakPolarHBondContact O-CB 3.49Å; N748-Q752 PolarHBondContact O-N 2.79Å; N749-Q752 PolarHBondContact O-N 3.31Å; T750-Q752 VanDerWaalsContact C-N 3.32Å; T750-Q752 PolarHBondContact O-N 3.12Å; Q752-V754 PolarHBondContact O-N 2.87Å; Q752-K755 PolarHBondContact O-N 3.41Å; Q752-W756 HydrophobicContact CG-CZ2 4.34Å; Q752-W756 PolarHBondContact O-N 2.88Å
753	L	97.3	Very high	96.3	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-58.1	-47.6	172.2	-76.1	164.2	0	0	0	111.5	L713 L736 F740 F745 N749 K755 W756 F757	L713-L753 HydrophobicContact CD1-CD2 4.2Å; L713-L753 HydrophobicContact CD1-CG 3.82Å; L713-L753 HydrophobicContact CD2-CD1 4.34Å; L713-L753 HydrophobicContact CD2-CG 4.28Å; L736-L753 HydrophobicContact CD1-CB 4.06Å; F740-L753 HydrophobicContact CE2-CD2 4.16Å; F740-L753 HydrophobicContact CZ-CD2 4.19Å; F745-L753 HydrophobicContact CE1-CD1 3.53Å; F745-L753 HydrophobicContact CZ-CD1 3.79Å; N749-L753 PolarHBondContact O-N 3.22Å; L753-K755 VanDerWaalsContact C-N 3.3Å; L753-K755 PolarHBondContact O-N 3.39Å; L753-W756 HydrophobicContact CD2-CE3 3.74Å; L753-W756 HydrophobicContact CD2-CZ3 3.78Å; L753-W756 WeakPolarHBondContact O-CB 3.04Å; L753-W756 PolarHBondContact O-N 3.45Å; L753-W756 VanDerWaalsContact O-N 3.17Å; L753-F757 WeakPolarHBondContact O-CD2 3.07Å; L753-F757 PolarHBondContact O-N 3.22Å; L753-F757 VanDerWaalsContact O-N 3.1Å
754	V	97.4	Very high	96.6	Very high	64 Å²	64	59.4 Å²	59.4	39%	0.388	29%	0.291	S	S	.	.	H	α-helix	trans	-63.1	-35.7	177.4	172	0	0	0	0	111.8	L736 T750 Q752 S758	L736-V754 HydrophobicContact CD1-CG2 3.84Å; T750-V754 WeakPolarHBondContact O-CG2 3.18Å; T750-V754 PolarHBondContact O-N 3.17Å; T750-V754 VanDerWaalsContact O-N 3.09Å; Q752-V754 PolarHBondContact O-N 2.87Å; V754-S758 PolarHBondContact O-N 3.3Å
755	K	97.1	Very high	96.8	Very high	108 Å²	108	53.1 Å²	53.1	47%	0.47	27%	0.268	S	S	.	.	H	α-helix	trans	-70.1	-35.9	174.1	-178.2	53	175	148.5	0	112	A751 Q752 L753 S758 N759	A751-K755 VanDerWaalsContact O-CB 3.29Å; A751-K755 WeakPolarHBondContact O-CB 3.49Å; A751-K755 PolarHBondContact O-N 3.02Å; Q752-K755 PolarHBondContact O-N 3.41Å; L753-K755 VanDerWaalsContact C-N 3.3Å; L753-K755 PolarHBondContact O-N 3.39Å; K755-S758 WeakPolarHBondContact O-CB 3.45Å; K755-S758 PolarHBondContact O-N 3.1Å; K755-N759 WeakPolarHBondContact CD-OD1 3.36Å; K755-N759 WeakPolarHBondContact CE-OD1 3.38Å; K755-N759 PolarHBondContact NZ-OD1 2.97Å; K755-N759 VanDerWaalsContact O-CG 3.25Å; K755-N759 PolarHBondContact O-N 3.5Å; K755-N759 PolarHBondContact O-OD1 3.5Å; K755-N759 VanDerWaalsContact O-OD1 3.12Å
756	W	98.3	Very high	97	Very high	36 Å²	36	55.1 Å²	55.1	14%	0.136	28%	0.28	C	S	.	.	H	α-helix	trans	-58.6	-52	171.6	-67.2	-13.2	0	0	0	111.5	L713 H717 L718 A721 Q752 L753 S758 N759 F760	L713-W756 HydrophobicContact CB-CH2 3.64Å; L713-W756 HydrophobicContact CB-CZ2 4.08Å; L713-W756 HydrophobicContact CB-CZ3 4.48Å; L713-W756 HydrophobicContact CD1-CE3 4.42Å; L713-W756 HydrophobicContact CD1-CH2 3.61Å; L713-W756 HydrophobicContact CD1-CZ2 3.84Å; L713-W756 HydrophobicContact CD1-CZ3 3.89Å; L713-W756 HydrophobicContact CG-CH2 4.24Å; H717-W756 HydrophobicContact CB-CH2 4.42Å; H717-W756 HydrophobicContact CB-CZ3 4.24Å; L718-W756 VanDerWaalsContact CA-CZ3 3.42Å; L718-W756 HydrophobicContact CB-CE3 4.35Å; L718-W756 HydrophobicContact CB-CH2 3.63Å; L718-W756 HydrophobicContact CB-CZ2 4.06Å; L718-W756 HydrophobicContact CB-CZ3 3.82Å; L718-W756 HydrophobicContact CD1-CD2 3.6Å; L718-W756 HydrophobicContact CD1-CE3 3.8Å; L718-W756 HydrophobicContact CD1-CG 3.98Å; L718-W756 HydrophobicContact CD1-CH2 4.27Å; L718-W756 HydrophobicContact CD1-CZ2 4.12Å; L718-W756 HydrophobicContact CD1-CZ3 4.14Å; A721-W756 HydrophobicContact CB-CE3 4.06Å; A721-W756 HydrophobicContact CB-CZ3 4.46Å; Q752-W756 HydrophobicContact CG-CZ2 4.34Å; Q752-W756 PolarHBondContact O-N 2.88Å; L753-W756 HydrophobicContact CD2-CE3 3.74Å; L753-W756 HydrophobicContact CD2-CZ3 3.78Å; L753-W756 WeakPolarHBondContact O-CB 3.04Å; L753-W756 PolarHBondContact O-N 3.45Å; L753-W756 VanDerWaalsContact O-N 3.17Å; W756-S758 PolarHBondContact O-N 3.44Å; W756-N759 WeakPolarHBondContact O-CB 3.47Å; W756-N759 PolarHBondContact O-N 3.2Å; W756-F760 HydrophobicContact CB-CE1 4.33Å; W756-F760 HydrophobicContact CB-CE2 4.21Å; W756-F760 HydrophobicContact CB-CZ 3.88Å; W756-F760 VanDerWaalsContact O-CD1 3.28Å; W756-F760 WeakPolarHBondContact O-CD1 3.44Å; W756-F760 WeakPolarHBondContact O-CG 3.45Å; W756-F760 PolarHBondContact O-N 3.39Å
757	F	98.3	Very high	97.3	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.009	27%	0.271	C	S	.	.	H	α-helix	trans	-60.8	-30.1	174.9	-82.9	-86.4	0	0	0	113.1	A721 M724 F725 P731 L736 L753 F760 R761	A721-F757 HydrophobicContact CB-CE2 3.94Å; A721-F757 HydrophobicContact CB-CZ 4.31Å; A721-F757 VanDerWaalsContact O-CZ 3.31Å; A721-F757 WeakPolarHBondContact O-CZ 3.35Å; M724-F757 HydrophobicContact CB-CZ 4.04Å; F725-F757 HydrophobicContact CB-CE1 4.42Å; F725-F757 AromaticContact CD2-CD1 3.97Å; F725-F757 HydrophobicContact CD2-CD1 3.97Å; F725-F757 HydrophobicContact CD2-CE1 4.18Å; P731-F757 HydrophobicContact CG-CB 4.32Å; P731-F757 HydrophobicContact CG-CD1 3.49Å; P731-F757 VanDerWaalsContact CG-CD1 3.49Å; P731-F757 HydrophobicContact CG-CD2 3.79Å; P731-F757 HydrophobicContact CG-CE1 3.65Å; P731-F757 HydrophobicContact CG-CE2 3.94Å; P731-F757 HydrophobicContact CG-CG 3.58Å; P731-F757 HydrophobicContact CG-CZ 3.87Å; L736-F757 HydrophobicContact CD2-CD2 4.11Å; L736-F757 HydrophobicContact CD2-CE2 3.65Å; L736-F757 HydrophobicContact CD2-CZ 4.42Å; L753-F757 WeakPolarHBondContact O-CD2 3.07Å; L753-F757 PolarHBondContact O-N 3.22Å; L753-F757 VanDerWaalsContact O-N 3.1Å; F757-F760 HydrophobicContact CD1-CD2 4.08Å; F757-F760 HydrophobicContact CE1-CD2 4.37Å; F757-F760 HydrophobicContact CG-CD2 4.23Å; F757-R761 WeakPolarHBondContact O-CG 3.25Å; F757-R761 PolarHBondContact O-N 3.47Å; F757-R761 VanDerWaalsContact O-N 3.09Å
758	S	97.5	Very high	97.4	Very high	45 Å²	45	44.9 Å²	44.9	32%	0.315	23%	0.233	S	C	.	.	H	α-helix	trans	-67.7	-40.2	170.9	-162.2	0	0	0	0	113.2	V754 K755 W756 E762	V754-S758 PolarHBondContact O-N 3.3Å; K755-S758 WeakPolarHBondContact O-CB 3.45Å; K755-S758 PolarHBondContact O-N 3.1Å; W756-S758 PolarHBondContact O-N 3.44Å; S758-E762 WeakPolarHBondContact O-CB 3.22Å; S758-E762 PolarHBondContact O-N 3.12Å
759	N	97.7	Very high	97.6	Very high	64 Å²	64	40.6 Å²	40.6	34%	0.342	21%	0.209	S	C	.	.	H	α-helix	trans	-68.9	-36.7	176.5	-64	-0.5	0	0	0	111.4	K755 W756 E762 F763	K755-N759 WeakPolarHBondContact CD-OD1 3.36Å; K755-N759 WeakPolarHBondContact CE-OD1 3.38Å; K755-N759 PolarHBondContact NZ-OD1 2.97Å; K755-N759 VanDerWaalsContact O-CG 3.25Å; K755-N759 PolarHBondContact O-N 3.5Å; K755-N759 PolarHBondContact O-OD1 3.5Å; K755-N759 VanDerWaalsContact O-OD1 3.12Å; W756-N759 WeakPolarHBondContact O-CB 3.47Å; W756-N759 PolarHBondContact O-N 3.2Å; N759-E762 WeakPolarHBondContact O-CB 3.45Å; N759-E762 PolarHBondContact O-N 3.02Å; N759-F763 PolarHBondContact O-N 3.5Å
760	F	98.5	Very high	97.7	Very high	9 Å²	9	45.7 Å²	45.7	4%	0.039	23%	0.231	C	C	.	.	H	α-helix	trans	-62.2	-49.3	174.8	-58.6	-17.1	0	0	0	110.7	L718 A721 K722 F725 W756 F757 E762 F763 Y764 Y802	L718-F760 HydrophobicContact CD1-CE1 4.22Å; L718-F760 HydrophobicContact CD1-CZ 3.92Å; A721-F760 HydrophobicContact CB-CE2 4.07Å; A721-F760 HydrophobicContact CB-CZ 4.37Å; K722-F760 HydrophobicContact CB-CZ 4.42Å; K722-F760 HydrophobicContact CD-CE1 4.45Å; K722-F760 HydrophobicContact CG-CD1 4.44Å; K722-F760 HydrophobicContact CG-CE1 3.67Å; K722-F760 HydrophobicContact CG-CE2 4.07Å; K722-F760 HydrophobicContact CG-CZ 3.46Å; K722-F760 VanDerWaalsContact CG-CZ 3.46Å; F725-F760 HydrophobicContact CB-CD2 4.35Å; F725-F760 HydrophobicContact CD2-CB 3.54Å; F725-F760 AromaticContact CD2-CD2 3.9Å; F725-F760 HydrophobicContact CD2-CD2 3.9Å; F725-F760 HydrophobicContact CD2-CG 4.2Å; F725-F760 HydrophobicContact CE2-CB 3.41Å; F725-F760 VanDerWaalsContact CE2-CB 3.41Å; F725-F760 HydrophobicContact CG-CB 4.17Å; F725-F760 HydrophobicContact CG-CD2 4.34Å; F725-F760 HydrophobicContact CZ-CB 3.95Å; W756-F760 HydrophobicContact CB-CE1 4.33Å; W756-F760 HydrophobicContact CB-CE2 4.21Å; W756-F760 HydrophobicContact CB-CZ 3.88Å; W756-F760 VanDerWaalsContact O-CD1 3.28Å; W756-F760 WeakPolarHBondContact O-CD1 3.44Å; W756-F760 WeakPolarHBondContact O-CG 3.45Å; W756-F760 PolarHBondContact O-N 3.39Å; F757-F760 HydrophobicContact CD1-CD2 4.08Å; F757-F760 HydrophobicContact CE1-CD2 4.37Å; F757-F760 HydrophobicContact CG-CD2 4.23Å; F760-E762 VanDerWaalsContact C-N 3.29Å; F760-E762 PolarHBondContact O-N 3.22Å; F760-F763 PolarHBondContact O-N 2.76Å; F760-Y764 VanDerWaalsContact O-CB 3.29Å; F760-Y764 WeakPolarHBondContact O-CB 3.42Å; F760-Y764 PolarHBondContact O-N 3.24Å; F760-Y802 HydrophobicContact CB-CE1 3.87Å; F760-Y802 HydrophobicContact CD1-CE1 4.34Å; F760-Y802 HydrophobicContact CG-CE1 4.07Å; F760-Y802 PolarHBondContact O-OH 3.36Å
761	R	98.2	Very high	97.7	Very high	43 Å²	43	46.1 Å²	46.1	16%	0.162	23%	0.23	C	C	.	.	H	α-helix	trans	-58.8	-38.2	173.3	-72.7	-170.9	-58.3	-90.6	-1.2	112.8	F725 R729 Y730 F757 Y764 Y765	F725-R761 HydrophobicContact CE2-CG 3.91Å; F725-R761 HydrophobicContact CZ-CG 4.26Å; R729-R761 HydrophobicContact CB-CG 4.35Å; R729-R761 VanDerWaalsContact O-CD 3.29Å; R729-R761 WeakPolarHBondContact O-CD 3.35Å; R729-R761 PolarHBondContact O-NH1 3.2Å; Y730-R761 VanDerWaalsContact CE1-CD 3.48Å; F757-R761 WeakPolarHBondContact O-CG 3.25Å; F757-R761 PolarHBondContact O-N 3.47Å; F757-R761 VanDerWaalsContact O-N 3.09Å; R761-Y764 PolarHBondContact O-N 2.98Å; R761-Y765 HydrophobicContact CB-CD2 4.2Å; R761-Y765 HydrophobicContact CB-CE2 3.97Å; R761-Y765 HydrophobicContact CG-CE2 4.38Å; R761-Y765 WeakPolarHBondContact O-CB 3.44Å; R761-Y765 WeakPolarHBondContact O-CD2 3.36Å; R761-Y765 PolarHBondContact O-N 3.26Å
762	E	97.8	Very high	97.8	Very high	97 Å²	97	43.2 Å²	43.2	45%	0.453	21%	0.206	S	C	.	.	H	α-helix	trans	-62.3	-51.1	176.8	-176.7	166.4	-156	0	0	111.7	S758 N759 F760 Y764 Y765 I766	S758-E762 WeakPolarHBondContact O-CB 3.22Å; S758-E762 PolarHBondContact O-N 3.12Å; N759-E762 WeakPolarHBondContact O-CB 3.45Å; N759-E762 PolarHBondContact O-N 3.02Å; F760-E762 VanDerWaalsContact C-N 3.29Å; F760-E762 PolarHBondContact O-N 3.22Å; E762-Y764 PolarHBondContact O-N 3.25Å; E762-Y765 PolarHBondContact O-N 3.05Å; E762-I766 HydrophobicContact CG-CD1 4.07Å; E762-I766 WeakPolarHBondContact O-CB 3.46Å; E762-I766 WeakPolarHBondContact O-CD1 3.38Å; E762-I766 VanDerWaalsContact O-CG1 3.24Å; E762-I766 WeakPolarHBondContact O-CG1 3.49Å; E762-I766 PolarHBondContact O-N 3.18Å
763	F	98.1	Very high	97.8	Very high	48 Å²	48	43.5 Å²	43.5	21%	0.211	20%	0.203	C	C	.	.	H	α-helix	trans	-59.3	-45.7	173.6	175.3	-97.4	0	0	0	112.1	N759 F760 I766 Q767 V797 L798 H801	N759-F763 PolarHBondContact O-N 3.5Å; F760-F763 PolarHBondContact O-N 2.76Å; F763-I766 PolarHBondContact O-N 2.89Å; F763-Q767 HydrophobicContact CD1-CG 4.45Å; F763-Q767 HydrophobicContact CE1-CG 3.95Å; F763-Q767 HydrophobicContact CE2-CG 4.3Å; F763-Q767 HydrophobicContact CZ-CG 3.87Å; F763-Q767 PolarHBondContact O-N 3.27Å; F763-Q767 VanDerWaalsContact O-N 3.08Å; F763-V797 HydrophobicContact CZ-CG1 4.03Å; F763-L798 HydrophobicContact CE1-CD2 4.36Å; F763-H801 HydrophobicContact CD1-CB 4.19Å; F763-H801 AromaticContact CD1-CD2 3.91Å; F763-H801 AromaticContact CD1-CE1 3.9Å; F763-H801 AromaticContact CD1-CG 3.62Å; F763-H801 AromaticContact CD1-ND1 3.61Å; F763-H801 AromaticContact CD2-CE1 3.96Å; F763-H801 AromaticContact CD2-ND1 3.83Å; F763-H801 HydrophobicContact CE1-CB 3.46Å; F763-H801 VanDerWaalsContact CE1-CB 3.46Å; F763-H801 AromaticContact CE1-CG 3.35Å; F763-H801 AromaticContact CE1-ND1 3.43Å; F763-H801 WeakPolarHBondContact CE1-ND1 3.47Å; F763-H801 AromaticContact CE2-ND1 3.64Å; F763-H801 AromaticContact CG-CE1 3.79Å; F763-H801 AromaticContact CG-ND1 3.82Å; F763-H801 HydrophobicContact CZ-CB 3.87Å; F763-H801 AromaticContact CZ-CG 3.78Å; F763-H801 AromaticContact CZ-ND1 3.44Å; F763-H801 WeakPolarHBondContact CZ-ND1 3.29Å
764	Y	98.5	Very high	97.8	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-55.3	-54.7	178.5	-175.5	-99.6	0	0	0	111.7	F725 F760 R761 E762 I766 Q767 M768 L798 F814 V818 T821	F725-Y764 AromaticContact CE1-CD2 3.74Å; F725-Y764 HydrophobicContact CE1-CD2 3.74Å; F725-Y764 HydrophobicContact CE1-CE2 4.4Å; F725-Y764 HydrophobicContact CE1-CG 4.06Å; F725-Y764 HydrophobicContact CZ-CD2 4.26Å; F725-Y764 HydrophobicContact CZ-CG 4.11Å; F760-Y764 VanDerWaalsContact O-CB 3.29Å; F760-Y764 WeakPolarHBondContact O-CB 3.42Å; F760-Y764 PolarHBondContact O-N 3.24Å; R761-Y764 PolarHBondContact O-N 2.98Å; E762-Y764 PolarHBondContact O-N 3.25Å; Y764-I766 VanDerWaalsContact C-N 3.32Å; Y764-I766 PolarHBondContact O-N 3.39Å; Y764-Q767 PolarHBondContact O-N 2.94Å; Y764-Q767 VanDerWaalsContact O-N 3.08Å; Y764-M768 HydrophobicContact CD1-CG 4.12Å; Y764-M768 HydrophobicContact CD2-CE 4.12Å; Y764-M768 HydrophobicContact CE1-CE 4.3Å; Y764-M768 HydrophobicContact CE1-CG 4Å; Y764-M768 HydrophobicContact CE1-SD 4.3Å; Y764-M768 HydrophobicContact CE2-CE 3.88Å; Y764-M768 HydrophobicContact CG-CE 4.45Å; Y764-M768 WeakPolarHBondContact O-CG 3.31Å; Y764-M768 PolarHBondContact O-N 3.25Å; Y764-L798 HydrophobicContact CD2-CD2 3.82Å; Y764-L798 HydrophobicContact CE2-CD1 4.3Å; Y764-L798 HydrophobicContact CE2-CD2 4.33Å; Y764-F814 AromaticContact CE2-CE2 3.98Å; Y764-F814 HydrophobicContact CE2-CE2 3.98Å; Y764-F814 AromaticContact CE2-CZ 3.98Å; Y764-F814 HydrophobicContact CE2-CZ 3.98Å; Y764-V818 HydrophobicContact CE2-CG2 3.89Å; Y764-V818 WeakPolarHBondContact OH-CA 3.45Å; Y764-T821 HydrophobicContact CE1-CG2 4.03Å; Y764-T821 PolarHBondContact OH-OG1 2.89Å
765	Y	98.2	Very high	97.7	Very high	12 Å²	12	44.2 Å²	44.2	5%	0.047	20%	0.203	C	C	.	.	H	α-helix	trans	-68.9	-27.5	-178.5	-66.6	-48.4	0	0	0	113.5	Y730 R761 E762 M768 E769 T821 F825 Y844 I847	Y730-Y765 PolarHBondContact OH-OH 3.08Å; R761-Y765 HydrophobicContact CB-CD2 4.2Å; R761-Y765 HydrophobicContact CB-CE2 3.97Å; R761-Y765 HydrophobicContact CG-CE2 4.38Å; R761-Y765 WeakPolarHBondContact O-CB 3.44Å; R761-Y765 WeakPolarHBondContact O-CD2 3.36Å; R761-Y765 PolarHBondContact O-N 3.26Å; E762-Y765 PolarHBondContact O-N 3.05Å; Y765-M768 HydrophobicContact CD1-CG 4.42Å; Y765-M768 PolarHBondContact O-N 3.21Å; Y765-E769 WeakPolarHBondContact O-CB 3.15Å; Y765-E769 PolarHBondContact O-N 3.37Å; Y765-T821 HydrophobicContact CD1-CG2 4.3Å; Y765-T821 HydrophobicContact CE1-CG2 4.04Å; Y765-F825 AromaticContact CD1-CE2 3.58Å; Y765-F825 HydrophobicContact CD1-CE2 3.58Å; Y765-F825 AromaticContact CD1-CZ 3.74Å; Y765-F825 HydrophobicContact CD1-CZ 3.74Å; Y765-F825 HydrophobicContact CE1-CE2 4.16Å; Y765-F825 HydrophobicContact CG-CE2 4.44Å; Y765-F825 HydrophobicContact CG-CZ 4.16Å; Y765-Y844 HydrophobicContact CD1-CD1 4.48Å; Y765-Y844 HydrophobicContact CD1-CE1 4.01Å; Y765-Y844 HydrophobicContact CD2-CD1 4.09Å; Y765-Y844 AromaticContact CD2-CE1 3.38Å; Y765-Y844 HydrophobicContact CD2-CE1 3.38Å; Y765-Y844 AromaticContact CE1-CD1 4Å; Y765-Y844 HydrophobicContact CE1-CD1 4Å; Y765-Y844 AromaticContact CE1-CE1 3.98Å; Y765-Y844 HydrophobicContact CE1-CE1 3.98Å; Y765-Y844 AromaticContact CE2-CD1 3.54Å; Y765-Y844 HydrophobicContact CE2-CD1 3.54Å; Y765-Y844 AromaticContact CE2-CE1 3.34Å; Y765-Y844 HydrophobicContact CE2-CE1 3.34Å; Y765-Y844 AromaticContact CG-CE1 3.75Å; Y765-Y844 HydrophobicContact CG-CE1 3.75Å; Y765-Y844 AromaticContact CZ-CD1 3.5Å; Y765-Y844 AromaticContact CZ-CE1 3.67Å; Y765-I847 HydrophobicContact CE1-CG1 4.29Å
766	I	97.8	Very high	97.7	Very high	87 Å²	87	41.5 Å²	41.5	45%	0.446	19%	0.193	S	C	.	.	H	α-helix	trans	-63.7	-40.9	169.3	-72.1	165.8	0	0	0	110.8	E762 F763 Y764 K770	E762-I766 HydrophobicContact CG-CD1 4.07Å; E762-I766 WeakPolarHBondContact O-CB 3.46Å; E762-I766 WeakPolarHBondContact O-CD1 3.38Å; E762-I766 VanDerWaalsContact O-CG1 3.24Å; E762-I766 WeakPolarHBondContact O-CG1 3.49Å; E762-I766 PolarHBondContact O-N 3.18Å; F763-I766 PolarHBondContact O-N 2.89Å; Y764-I766 VanDerWaalsContact C-N 3.32Å; Y764-I766 PolarHBondContact O-N 3.39Å; I766-K770 VanDerWaalsContact O-CB 3.27Å; I766-K770 WeakPolarHBondContact O-CB 3.18Å; I766-K770 PolarHBondContact O-N 3.48Å
767	Q	98	Very high	97.6	Very high	23 Å²	23	44.1 Å²	44.1	11%	0.107	22%	0.222	C	C	.	.	H	α-helix	trans	-67	-44.8	173.8	-57.8	-48	-41.5	0	0	111.8	F763 Y764 E769 K770 Y771 L794 V797 L798	F763-Q767 HydrophobicContact CD1-CG 4.45Å; F763-Q767 HydrophobicContact CE1-CG 3.95Å; F763-Q767 HydrophobicContact CE2-CG 4.3Å; F763-Q767 HydrophobicContact CZ-CG 3.87Å; F763-Q767 PolarHBondContact O-N 3.27Å; F763-Q767 VanDerWaalsContact O-N 3.08Å; Y764-Q767 PolarHBondContact O-N 2.94Å; Y764-Q767 VanDerWaalsContact O-N 3.08Å; Q767-E769 VanDerWaalsContact C-N 3.32Å; Q767-E769 PolarHBondContact O-N 2.9Å; Q767-K770 PolarHBondContact O-N 2.86Å; Q767-Y771 WeakPolarHBondContact O-CD2 3.43Å; Q767-Y771 PolarHBondContact O-N 2.84Å; Q767-L794 HydrophobicContact CB-CD1 3.81Å; Q767-V797 HydrophobicContact CG-CG1 4.19Å; Q767-L798 HydrophobicContact CB-CD2 4.44Å; Q767-L798 HydrophobicContact CG-CD2 4.38Å
768	M	97.8	Very high	97.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-56.8	-46.6	177.9	-59	-59	117.5	0	0	111.7	Y764 Y765 A772 L794 L798 V818 T821 F825	Y764-M768 HydrophobicContact CD1-CG 4.12Å; Y764-M768 HydrophobicContact CD2-CE 4.12Å; Y764-M768 HydrophobicContact CE1-CE 4.3Å; Y764-M768 HydrophobicContact CE1-CG 4Å; Y764-M768 HydrophobicContact CE1-SD 4.3Å; Y764-M768 HydrophobicContact CE2-CE 3.88Å; Y764-M768 HydrophobicContact CG-CE 4.45Å; Y764-M768 WeakPolarHBondContact O-CG 3.31Å; Y764-M768 PolarHBondContact O-N 3.25Å; Y765-M768 HydrophobicContact CD1-CG 4.42Å; Y765-M768 PolarHBondContact O-N 3.21Å; M768-A772 VanDerWaalsContact O-CB 3.24Å; M768-A772 WeakPolarHBondContact O-CB 3.12Å; M768-A772 PolarHBondContact O-N 3.43Å; M768-L794 HydrophobicContact CE-CD1 3.79Å; M768-L794 HydrophobicContact CE-CD2 4.14Å; M768-L794 HydrophobicContact CE-CG 4.34Å; M768-L794 HydrophobicContact SD-CD2 4.45Å; M768-L798 HydrophobicContact CE-CD1 3.86Å; M768-L798 HydrophobicContact CE-CD2 4.25Å; M768-V818 HydrophobicContact CE-CG1 3.97Å; M768-V818 HydrophobicContact SD-CG1 4.27Å; M768-T821 HydrophobicContact CB-CG2 4.16Å; M768-T821 HydrophobicContact CG-CG2 3.53Å; M768-T821 HydrophobicContact SD-CG2 3.93Å; M768-F825 HydrophobicContact CB-CD1 4.37Å; M768-F825 HydrophobicContact CB-CD2 3.69Å; M768-F825 HydrophobicContact CB-CE2 3.88Å; M768-F825 HydrophobicContact CB-CG 3.95Å; M768-F825 HydrophobicContact CB-CZ 4.31Å; M768-F825 HydrophobicContact CG-CD2 4.46Å; M768-F825 HydrophobicContact CG-CE2 4.46Å
769	E	97.7	Very high	97.2	Very high	35 Å²	35	49.6 Å²	49.6	16%	0.164	25%	0.251	C	S	.	.	H	α-helix	trans	-67.7	-41.6	178.5	-169.7	168.7	168.4	0	0	112.4	Y765 Q767 A772 R773 F825 I829 W839 K840	Y765-E769 WeakPolarHBondContact O-CB 3.15Å; Y765-E769 PolarHBondContact O-N 3.37Å; Q767-E769 VanDerWaalsContact C-N 3.32Å; Q767-E769 PolarHBondContact O-N 2.9Å; E769-A772 PolarHBondContact O-N 3.23Å; E769-R773 HydrophobicContact CG-CG 4.43Å; E769-R773 WeakPolarHBondContact O-CB 3.45Å; E769-R773 VanDerWaalsContact O-CG 3.31Å; E769-R773 WeakPolarHBondContact O-CG 3.26Å; E769-R773 PolarHBondContact O-N 2.97Å; E769-R773 IonicContact OE1-CZ 2.73Å; E769-R773 IonicContact OE1-NE 2.59Å; E769-R773 PolarHBondContact OE1-NE 3.22Å; E769-R773 VanDerWaalsContact OE1-NE 3.1Å; E769-R773 IonicContact OE1-NH2 2.72Å; E769-R773 PolarHBondContact OE1-NH2 3.28Å; E769-F825 HydrophobicContact CB-CD1 3.79Å; E769-F825 HydrophobicContact CB-CE1 3.77Å; E769-F825 HydrophobicContact CG-CD1 4.26Å; E769-F825 HydrophobicContact CG-CE1 4.36Å; E769-I829 HydrophobicContact CG-CD1 4.27Å; E769-W839 HydrophobicContact CG-CH2 4.36Å; E769-K840 IonicContact OE1-NZ 3.17Å; E769-K840 WeakPolarHBondContact OE2-CE 3.33Å; E769-K840 IonicContact OE2-NZ 3.96Å; E769-K840 PolarHBondContact OE2-NZ 3.23Å
770	K	97.6	Very high	97	Very high	109 Å²	109	48.2 Å²	48.2	47%	0.474	25%	0.245	S	C	.	.	H	α-helix	trans	-57.2	-53.2	176.2	-177.2	-160	170.4	-160	0	110.9	I766 Q767 R773 Q774	I766-K770 VanDerWaalsContact O-CB 3.27Å; I766-K770 WeakPolarHBondContact O-CB 3.18Å; I766-K770 PolarHBondContact O-N 3.48Å; Q767-K770 PolarHBondContact O-N 2.86Å; K770-R773 PolarHBondContact O-N 3.42Å; K770-Q774 WeakPolarHBondContact O-CB 3.13Å; K770-Q774 PolarHBondContact O-N 3.35Å
771	Y	97.3	Very high	96.7	Very high	37 Å²	37	56.8 Å²	56.8	15%	0.145	28%	0.277	C	S	.	.	H	α-helix	trans	-70.2	-35.5	-176.3	-81.8	-95.1	0	0	0	112.3	Q767 Q774 A775 E793 L794	Q767-Y771 WeakPolarHBondContact O-CD2 3.43Å; Q767-Y771 PolarHBondContact O-N 2.84Å; Y771-Q774 PolarHBondContact O-N 3.14Å; Y771-A775 WeakPolarHBondContact O-CB 3.31Å; Y771-A775 PolarHBondContact O-N 2.98Å; Y771-E793 HydrophobicContact CE1-CB 4.43Å; Y771-E793 VanDerWaalsContact OH-C 3.3Å; Y771-E793 WeakPolarHBondContact OH-CG 3.33Å; Y771-E793 PolarHBondContact OH-O 2.85Å; Y771-L794 HydrophobicContact CD1-CB 4.03Å; Y771-L794 HydrophobicContact CD2-CB 4.24Å; Y771-L794 HydrophobicContact CD2-CD1 3.63Å; Y771-L794 HydrophobicContact CD2-CG 4.39Å; Y771-L794 HydrophobicContact CE1-CB 3.94Å; Y771-L794 HydrophobicContact CE2-CB 4.12Å; Y771-L794 HydrophobicContact CE2-CD1 3.8Å; Y771-L794 HydrophobicContact CG-CB 4.17Å; Y771-L794 HydrophobicContact CG-CD1 4.15Å; Y771-L794 HydrophobicContact CG-CD2 4.43Å; Y771-L794 HydrophobicContact CG-CG 4.48Å; Y771-L794 PolarHBondContact OH-N 3.2Å
772	A	97.4	Very high	96.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64	-43	173	0	0	0	0	0	112.5	M768 E769 I776 L822 F825 F826 I829	M768-A772 VanDerWaalsContact O-CB 3.24Å; M768-A772 WeakPolarHBondContact O-CB 3.12Å; M768-A772 PolarHBondContact O-N 3.43Å; E769-A772 PolarHBondContact O-N 3.23Å; A772-I776 WeakPolarHBondContact O-CG1 3.08Å; A772-I776 PolarHBondContact O-N 2.95Å; A772-L822 HydrophobicContact CB-CD1 4.15Å; A772-F825 HydrophobicContact CB-CB 3.81Å; A772-F826 HydrophobicContact CB-CB 4.31Å; A772-I829 HydrophobicContact CB-CD1 3.9Å
773	R	97.5	Very high	96.2	Very high	95 Å²	95	52.6 Å²	52.6	36%	0.358	27%	0.265	S	S	.	.	H	α-helix	trans	-66.1	-39.6	174.5	-69.8	-174.6	-172.5	-69.4	-3.2	112	E769 K770 I776 A777 I829 D834	E769-R773 HydrophobicContact CG-CG 4.43Å; E769-R773 WeakPolarHBondContact O-CB 3.45Å; E769-R773 VanDerWaalsContact O-CG 3.31Å; E769-R773 WeakPolarHBondContact O-CG 3.26Å; E769-R773 PolarHBondContact O-N 2.97Å; E769-R773 IonicContact OE1-CZ 2.73Å; E769-R773 IonicContact OE1-NE 2.59Å; E769-R773 PolarHBondContact OE1-NE 3.22Å; E769-R773 VanDerWaalsContact OE1-NE 3.1Å; E769-R773 IonicContact OE1-NH2 2.72Å; E769-R773 PolarHBondContact OE1-NH2 3.28Å; K770-R773 PolarHBondContact O-N 3.42Å; R773-I776 PolarHBondContact O-N 3.02Å; R773-A777 WeakPolarHBondContact O-CB 3.46Å; R773-A777 PolarHBondContact O-N 3.26Å; R773-I829 HydrophobicContact CG-CD1 3.86Å; R773-I829 HydrophobicContact CG-CG2 4.39Å; R773-D834 IonicContact CZ-OD2 2.74Å; R773-D834 IonicContact NH1-OD2 2.79Å; R773-D834 PolarHBondContact NH1-OD2 3.41Å; R773-D834 IonicContact NH2-OD2 3.45Å; R773-D834 PolarHBondContact NH2-OD2 2.87Å
774	Q	96.5	Very high	95.9	Very high	74 Å²	74	55.2 Å²	55.2	35%	0.346	28%	0.281	S	S	.	.	H	α-helix	trans	-61.9	-48.2	176.8	179.8	172.5	-16.5	0	0	111.3	K770 Y771 I776 A777 E778	K770-Q774 WeakPolarHBondContact O-CB 3.13Å; K770-Q774 PolarHBondContact O-N 3.35Å; Y771-Q774 PolarHBondContact O-N 3.14Å; Q774-I776 VanDerWaalsContact C-N 3.31Å; Q774-I776 PolarHBondContact O-N 2.94Å; Q774-A777 CarbonylContact O-C 3.6Å; Q774-A777 WeakPolarHBondContact O-CB 3.41Å; Q774-A777 PolarHBondContact O-N 3.28Å; Q774-A777 VanDerWaalsContact O-N 3.08Å; Q774-E778 HydrophobicContact CG-CG 4.4Å; Q774-E778 WeakPolarHBondContact CG-OE1 3.37Å; Q774-E778 PolarHBondContact NE2-OE1 3.26Å; Q774-E778 WeakPolarHBondContact O-CB 3.38Å; Q774-E778 WeakPolarHBondContact O-CG 3.45Å; Q774-E778 PolarHBondContact O-N 2.92Å
775	A	96	Very high	95.6	Very high	5 Å²	5	60.1 Å²	60.1	4%	0.041	31%	0.307	C	S	.	.	H	α-helix	trans	-57.1	-41.1	176.1	0	0	0	0	0	113.3	Y771 E778 G779 V780 L786 F826	Y771-A775 WeakPolarHBondContact O-CB 3.31Å; Y771-A775 PolarHBondContact O-N 2.98Å; A775-E778 PolarHBondContact O-N 3.2Å; A775-G779 PolarHBondContact O-N 3.06Å; A775-G779 VanDerWaalsContact O-N 3.13Å; A775-V780 HydrophobicContact CB-CB 4.28Å; A775-V780 HydrophobicContact CB-CG2 4.2Å; A775-V780 WeakPolarHBondContact O-CB 3.32Å; A775-V780 WeakPolarHBondContact O-CG2 3.46Å; A775-V780 PolarHBondContact O-N 3.03Å; A775-L786 HydrophobicContact CB-CD1 3.91Å; A775-L786 HydrophobicContact CB-CD2 3.68Å; A775-L786 HydrophobicContact CB-CG 4.44Å; A775-F826 HydrophobicContact CB-CD2 4.29Å; A775-F826 HydrophobicContact CB-CE2 4.32Å
776	I	96.1	Very high	95.3	Very high	51 Å²	51	60.7 Å²	60.7	26%	0.262	31%	0.311	S	S	.	.	H	α-helix	trans	-67.1	-38.3	176.8	-66.3	167.6	0	0	0	110.9	A772 R773 Q774 G779 F826 I829 H830	A772-I776 WeakPolarHBondContact O-CG1 3.08Å; A772-I776 PolarHBondContact O-N 2.95Å; R773-I776 PolarHBondContact O-N 3.02Å; Q774-I776 VanDerWaalsContact C-N 3.31Å; Q774-I776 PolarHBondContact O-N 2.94Å; I776-G779 PolarHBondContact O-N 3.13Å; I776-G779 VanDerWaalsContact O-N 3.15Å; I776-F826 HydrophobicContact CD1-CD2 3.97Å; I776-F826 HydrophobicContact CD1-CE2 4.19Å; I776-F826 HydrophobicContact CG1-CD2 3.58Å; I776-F826 HydrophobicContact CG1-CE2 3.38Å; I776-F826 HydrophobicContact CG1-CZ 4.25Å; I776-I829 HydrophobicContact CD1-CB 3.72Å; I776-I829 HydrophobicContact CD1-CG2 3.54Å; I776-H830 HydrophobicContact CD1-CB 4.01Å
777	A	96	Very high	95	Very high	90 Å²	90	65.5 Å²	65.5	74%	0.744	32%	0.324	S	S	*	.	H	α-helix	trans	-70.2	-32.7	175.4	0	0	0	0	0	113.1	R773 Q774 G779	R773-A777 WeakPolarHBondContact O-CB 3.46Å; R773-A777 PolarHBondContact O-N 3.26Å; Q774-A777 CarbonylContact O-C 3.6Å; Q774-A777 WeakPolarHBondContact O-CB 3.41Å; Q774-A777 PolarHBondContact O-N 3.28Å; Q774-A777 VanDerWaalsContact O-N 3.08Å; A777-G779 PolarHBondContact O-N 3.17Å
778	E	94.7	Very high	94.8	Very high	133 Å²	133	64.6 Å²	64.6	62%	0.621	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-6.7	170.8	-70.9	168.6	-177.2	0	0	112.5	Q774 A775	Q774-E778 HydrophobicContact CG-CG 4.4Å; Q774-E778 WeakPolarHBondContact CG-OE1 3.37Å; Q774-E778 PolarHBondContact NE2-OE1 3.26Å; Q774-E778 WeakPolarHBondContact O-CB 3.38Å; Q774-E778 WeakPolarHBondContact O-CG 3.45Å; Q774-E778 PolarHBondContact O-N 2.92Å; A775-E778 PolarHBondContact O-N 3.2Å
779	G	93.6	Very high	94.5	Very high	30 Å²	30	67.4 Å²	67.4	31%	0.309	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.6	8.8	169.8	0	0	0	0	0	115.8	A775 I776 A777 R781	A775-G779 PolarHBondContact O-N 3.06Å; A775-G779 VanDerWaalsContact O-N 3.13Å; I776-G779 PolarHBondContact O-N 3.13Å; I776-G779 VanDerWaalsContact O-N 3.15Å; A777-G779 PolarHBondContact O-N 3.17Å; G779-R781 WeakPolarHBondContact O-CD 3.45Å; G779-R781 WeakPolarHBondContact O-CG 3.49Å; G779-R781 PolarHBondContact O-NE 3.08Å
780	V	94.4	Very high	94.1	Very high	35 Å²	35	70.2 Å²	70.2	21%	0.212	36%	0.357	C	S	.	.			trans	-59.1	141.1	177.8	-179.2	0	0	0	0	111	A775 S782 D785 L786 F826	A775-V780 HydrophobicContact CB-CB 4.28Å; A775-V780 HydrophobicContact CB-CG2 4.2Å; A775-V780 WeakPolarHBondContact O-CB 3.32Å; A775-V780 WeakPolarHBondContact O-CG2 3.46Å; A775-V780 PolarHBondContact O-N 3.03Å; V780-S782 WeakPolarHBondContact CG1-O 3.5Å; V780-D785 HydrophobicContact CG1-CB 3.79Å; V780-L786 HydrophobicContact CG1-CD2 3.95Å; V780-L786 HydrophobicContact CG1-CG 4.17Å; V780-L786 HydrophobicContact CG2-CD2 4.3Å; V780-F826 HydrophobicContact CB-CE2 4.21Å; V780-F826 HydrophobicContact CB-CZ 4.47Å; V780-F826 HydrophobicContact CG1-CE2 4.15Å; V780-F826 HydrophobicContact CG1-CZ 4.13Å
781	R	90.7	Very high	93.7	Very high	188 Å²	188	70 Å²	70	71%	0.709	36%	0.36	S	S	*	.			trans	-117.1	-34	-171.7	-56.3	-58.8	169.3	157.6	-0.7	114.8	G779	G779-R781 WeakPolarHBondContact O-CD 3.45Å; G779-R781 WeakPolarHBondContact O-CG 3.49Å; G779-R781 PolarHBondContact O-NE 3.08Å
782	S	92.4	Very high	93.5	Very high	38 Å²	38	69.3 Å²	69.3	27%	0.266	36%	0.362	S	S	.	.			trans	-102.1	152	170.8	-169.2	0	0	0	0	111.7	V780 D784 D785	V780-S782 WeakPolarHBondContact CG1-O 3.5Å; S782-D784 PolarHBondContact O-N 3.07Å; S782-D784 VanDerWaalsContact OG-CG 3.3Å; S782-D784 PolarHBondContact OG-N 2.99Å; S782-D784 PolarHBondContact OG-OD2 2.87Å; S782-D785 WeakPolarHBondContact CB-OD2 3.41Å; S782-D785 PolarHBondContact N-OD2 3.48Å; S782-D785 VanDerWaalsContact N-OD2 3.08Å
783	S	93.5	Very high	93.4	Very high	14 Å²	14	74.3 Å²	74.3	10%	0.098	39%	0.385	C	S	.	.	S	Bend	trans	-64.4	-28.3	161.7	48.1	0	0	0	0	111.9	D785 L786 H823 N827	S783-D785 PolarHBondContact O-N 2.85Å; S783-L786 WeakPolarHBondContact O-CB 3.33Å; S783-L786 PolarHBondContact O-N 3.03Å; S783-H823 PolarHBondContact O-CD2 2.65Å; S783-H823 PolarHBondContact O-CE1 3.47Å; S783-H823 PolarHBondContact O-NE2 3.1Å; S783-N827 WeakPolarHBondContact CB-ND2 3.42Å; S783-N827 PolarHBondContact OG-ND2 3.3Å
784	D	92.9	Very high	93.3	Very high	103 Å²	103	70 Å²	70	55%	0.551	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-20.6	-174.2	-49.5	-43.9	0	0	0	113.5	S782 L786 R787	S782-D784 PolarHBondContact O-N 3.07Å; S782-D784 VanDerWaalsContact OG-CG 3.3Å; S782-D784 PolarHBondContact OG-N 2.99Å; S782-D784 PolarHBondContact OG-OD2 2.87Å; D784-L786 VanDerWaalsContact C-N 3.29Å; D784-R787 PolarHBondContact O-NE 2.77Å
785	D	91.4	Very high	93.3	Very high	104 Å²	104	67.3 Å²	67.3	56%	0.556	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-27.5	171.7	-56.5	-39.6	0	0	0	111.1	V780 S782 S783 R787	V780-D785 HydrophobicContact CG1-CB 3.79Å; S782-D785 WeakPolarHBondContact CB-OD2 3.41Å; S782-D785 PolarHBondContact N-OD2 3.48Å; S782-D785 VanDerWaalsContact N-OD2 3.08Å; S783-D785 PolarHBondContact O-N 2.85Å; D785-R787 PolarHBondContact O-N 3.06Å
786	L	92.4	Very high	93.2	Very high	24 Å²	24	71.9 Å²	71.9	13%	0.126	37%	0.374	C	S	.	.			trans	-85.5	76.2	-175.9	-60.4	-175.4	0	0	0	111.9	A775 V780 S783 D784 L822 H823 F826	A775-L786 HydrophobicContact CB-CD1 3.91Å; A775-L786 HydrophobicContact CB-CD2 3.68Å; A775-L786 HydrophobicContact CB-CG 4.44Å; V780-L786 HydrophobicContact CG1-CD2 3.95Å; V780-L786 HydrophobicContact CG1-CG 4.17Å; V780-L786 HydrophobicContact CG2-CD2 4.3Å; S783-L786 WeakPolarHBondContact O-CB 3.33Å; S783-L786 PolarHBondContact O-N 3.03Å; D784-L786 VanDerWaalsContact C-N 3.29Å; L786-L822 HydrophobicContact CB-CD2 4.07Å; L786-L822 HydrophobicContact CD1-CD2 4.43Å; L786-L822 HydrophobicContact CD1-CG 4.29Å; L786-H823 PolarHBondContact O-NE2 2.66Å; L786-F826 HydrophobicContact CD1-CB 3.9Å; L786-F826 HydrophobicContact CD1-CD1 4.48Å; L786-F826 HydrophobicContact CD1-CD2 3.43Å; L786-F826 VanDerWaalsContact CD1-CD2 3.43Å; L786-F826 HydrophobicContact CD1-CE2 4.01Å; L786-F826 HydrophobicContact CD1-CG 3.69Å
787	R	91.8	Very high	93.1	Very high	187 Å²	187	71.3 Å²	71.3	71%	0.706	37%	0.373	S	S	*	.			trans	-90.6	128.3	176.9	-63.6	-174	176.4	-141.8	-6.1	111.8	D784 D785 T789 E819	D784-R787 PolarHBondContact O-NE 2.77Å; D785-R787 PolarHBondContact O-N 3.06Å; R787-T789 PolarHBondContact O-N 3.21Å; R787-E819 WeakPolarHBondContact CA-OE1 3.43Å
788	V	93	Very high	93.2	Very high	4 Å²	4	67 Å²	67	2%	0.024	34%	0.338	C	S	.	.			trans	-98.7	91.5	-178.9	-178	0	0	0	0	109.5	L794 Y795 R815 V818 E819 L822	V788-L794 HydrophobicContact CG2-CD2 4.4Å; V788-Y795 HydrophobicContact CG1-CD2 4.2Å; V788-R815 HydrophobicContact CG1-CG 4.44Å; V788-R815 WeakPolarHBondContact O-CD 3.46Å; V788-R815 WeakPolarHBondContact O-CG 3.17Å; V788-R815 PolarHBondContact O-NH1 2.74Å; V788-V818 HydrophobicContact CG1-CB 4.4Å; V788-V818 HydrophobicContact CG1-CG1 3.8Å; V788-V818 HydrophobicContact CG2-CG1 4.24Å; V788-E819 HydrophobicContact CB-CB 4.09Å; V788-E819 HydrophobicContact CB-CG 4.34Å; V788-E819 HydrophobicContact CG2-CB 4.1Å; V788-E819 HydrophobicContact CG2-CG 4.3Å; V788-E819 PolarHBondContact N-OE1 3.36Å; V788-L822 HydrophobicContact CG2-CD2 3.78Å
789	T	91.9	Very high	93.1	Very high	59 Å²	59	62 Å²	62	36%	0.362	32%	0.315	S	S	.	.			trans	-82.9	166.8	173.1	59.8	0	0	0	0	111.7	R787 D791 S792 Y795	R787-T789 PolarHBondContact O-N 3.21Å; T789-D791 VanDerWaalsContact C-N 3.26Å; T789-D791 WeakPolarHBondContact CB-OD1 3.36Å; T789-D791 PolarHBondContact O-N 2.79Å; T789-D791 PolarHBondContact OG1-OD1 3.47Å; T789-S792 WeakPolarHBondContact O-CB 3.37Å; T789-S792 PolarHBondContact O-N 3.5Å; T789-S792 PolarHBondContact O-OG 2.79Å; T789-S792 PolarHBondContact OG1-N 2.93Å; T789-Y795 WeakPolarHBondContact O-CB 3.44Å
790	T	89.4	Confident	93.1	Very high	94 Å²	94	66.1 Å²	66.1	58%	0.577	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-24.1	-179.4	42	0	0	0	0	113.9	Y795	T790-Y795 HydrophobicContact CG2-CD1 4.43Å; T790-Y795 HydrophobicContact CG2-CE1 4.03Å
791	D	89.5	Confident	93.2	Very high	104 Å²	104	67 Å²	67	56%	0.556	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-8.2	175	62.6	-57	0	0	0	113.4	T789 K796	T789-D791 VanDerWaalsContact C-N 3.26Å; T789-D791 WeakPolarHBondContact CB-OD1 3.36Å; T789-D791 PolarHBondContact O-N 2.79Å; T789-D791 PolarHBondContact OG1-OD1 3.47Å; D791-K796 WeakPolarHBondContact O-CE 3.47Å; D791-K796 PolarHBondContact O-NZ 3.21Å
792	S	92.9	Very high	93.4	Very high	24 Å²	24	58.2 Å²	58.2	17%	0.168	30%	0.298	C	S	.	.	S	Bend	trans	-63.4	143.7	177.1	71.8	0	0	0	0	112	T789 L794 Y795 K796	T789-S792 WeakPolarHBondContact O-CB 3.37Å; T789-S792 PolarHBondContact O-N 3.5Å; T789-S792 PolarHBondContact O-OG 2.79Å; T789-S792 PolarHBondContact OG1-N 2.93Å; S792-L794 VanDerWaalsContact C-N 3.27Å; S792-L794 PolarHBondContact O-N 3.09Å; S792-Y795 PolarHBondContact O-N 3.23Å; S792-Y795 WeakPolarHBondContact OG-CB 3.47Å; S792-K796 PolarHBondContact O-N 3Å
793	E	94.8	Very high	93.4	Very high	104 Å²	104	56.8 Å²	56.8	49%	0.486	29%	0.288	S	S	.	.	H	α-helix	trans	-66.1	-30.8	-174.1	-163	54.1	-145.7	0	0	112.8	Y771 K796 V797	Y771-E793 HydrophobicContact CE1-CB 4.43Å; Y771-E793 VanDerWaalsContact OH-C 3.3Å; Y771-E793 WeakPolarHBondContact OH-CG 3.33Å; Y771-E793 PolarHBondContact OH-O 2.85Å; E793-K796 PolarHBondContact O-N 2.69Å; E793-K796 WeakPolarHBondContact OE2-CD 3.37Å; E793-K796 IonicContact OE2-NZ 2.65Å; E793-K796 PolarHBondContact OE2-NZ 2.93Å; E793-V797 WeakPolarHBondContact O-CB 3.41Å; E793-V797 VanDerWaalsContact O-CG2 3.29Å; E793-V797 WeakPolarHBondContact O-CG2 3.45Å; E793-V797 PolarHBondContact O-N 2.94Å
794	L	96.2	Very high	93.2	Very high	5 Å²	5	65.9 Å²	65.9	3%	0.026	32%	0.32	C	S	.	.	H	α-helix	trans	-59.4	-46.7	169.7	177	57.8	0	0	0	111.4	Q767 M768 Y771 V788 S792 V797 L798 V818 L822	Q767-L794 HydrophobicContact CB-CD1 3.81Å; M768-L794 HydrophobicContact CE-CD1 3.79Å; M768-L794 HydrophobicContact CE-CD2 4.14Å; M768-L794 HydrophobicContact CE-CG 4.34Å; M768-L794 HydrophobicContact SD-CD2 4.45Å; Y771-L794 HydrophobicContact CD1-CB 4.03Å; Y771-L794 HydrophobicContact CD2-CB 4.24Å; Y771-L794 HydrophobicContact CD2-CD1 3.63Å; Y771-L794 HydrophobicContact CD2-CG 4.39Å; Y771-L794 HydrophobicContact CE1-CB 3.94Å; Y771-L794 HydrophobicContact CE2-CB 4.12Å; Y771-L794 HydrophobicContact CE2-CD1 3.8Å; Y771-L794 HydrophobicContact CG-CB 4.17Å; Y771-L794 HydrophobicContact CG-CD1 4.15Å; Y771-L794 HydrophobicContact CG-CD2 4.43Å; Y771-L794 HydrophobicContact CG-CG 4.48Å; Y771-L794 PolarHBondContact OH-N 3.2Å; V788-L794 HydrophobicContact CG2-CD2 4.4Å; S792-L794 VanDerWaalsContact C-N 3.27Å; S792-L794 PolarHBondContact O-N 3.09Å; L794-V797 PolarHBondContact O-N 3Å; L794-L798 HydrophobicContact CD1-CD1 4.06Å; L794-L798 HydrophobicContact CD1-CG 4.2Å; L794-L798 HydrophobicContact CG-CD1 4.14Å; L794-L798 VanDerWaalsContact O-CG 3.24Å; L794-L798 WeakPolarHBondContact O-CG 3.3Å; L794-L798 PolarHBondContact O-N 3.1Å; L794-V818 HydrophobicContact CD2-CG1 3.74Å; L794-V818 HydrophobicContact CG-CG1 4.1Å; L794-L822 HydrophobicContact CD2-CD1 4.35Å; L794-L822 HydrophobicContact CD2-CD2 4.08Å
795	Y	94.9	Very high	92.7	Very high	17 Å²	17	65 Å²	65	7%	0.067	32%	0.315	C	S	.	.	H	α-helix	trans	-66.5	-41	-179	-159.1	-99.2	0	0	0	111.9	V788 T789 T790 S792 L798 N799 A810 F814 R815	V788-Y795 HydrophobicContact CG1-CD2 4.2Å; T789-Y795 WeakPolarHBondContact O-CB 3.44Å; T790-Y795 HydrophobicContact CG2-CD1 4.43Å; T790-Y795 HydrophobicContact CG2-CE1 4.03Å; S792-Y795 PolarHBondContact O-N 3.23Å; S792-Y795 WeakPolarHBondContact OG-CB 3.47Å; Y795-L798 PolarHBondContact O-N 3.44Å; Y795-N799 VanDerWaalsContact O-CB 3.32Å; Y795-N799 WeakPolarHBondContact O-CB 3.27Å; Y795-N799 PolarHBondContact O-N 3.48Å; Y795-A810 HydrophobicContact CE1-CB 4.39Å; Y795-A810 VanDerWaalsContact OH-CB 3.31Å; Y795-A810 WeakPolarHBondContact OH-CB 3.31Å; Y795-A810 PolarHBondContact OH-O 3.44Å; Y795-F814 HydrophobicContact CE2-CD1 4.05Å; Y795-F814 HydrophobicContact CE2-CE1 4.42Å; Y795-R815 HydrophobicContact CD2-CG 4.14Å; Y795-R815 HydrophobicContact CE2-CB 3.77Å; Y795-R815 HydrophobicContact CE2-CG 3.8Å
796	K	93.8	Very high	92.4	Very high	101 Å²	101	64.9 Å²	64.9	44%	0.439	31%	0.314	S	S	.	.	H	α-helix	trans	-59.1	-49.3	173.7	-72.4	160.9	172	158.1	0	112.4	D791 S792 E793 L798 N799 L800	D791-K796 WeakPolarHBondContact O-CE 3.47Å; D791-K796 PolarHBondContact O-NZ 3.21Å; S792-K796 PolarHBondContact O-N 3Å; E793-K796 PolarHBondContact O-N 2.69Å; E793-K796 WeakPolarHBondContact OE2-CD 3.37Å; E793-K796 IonicContact OE2-NZ 2.65Å; E793-K796 PolarHBondContact OE2-NZ 2.93Å; K796-L798 VanDerWaalsContact C-N 3.33Å; K796-L798 PolarHBondContact O-N 2.86Å; K796-N799 PolarHBondContact O-N 3.26Å; K796-L800 WeakPolarHBondContact O-CB 3.45Å; K796-L800 PolarHBondContact O-N 3.1Å
797	V	95.8	Very high	91.4	Very high	39 Å²	39	67.2 Å²	67.2	24%	0.236	33%	0.325	C	S	.	.	H	α-helix	trans	-61.1	-40	178.8	167.3	0	0	0	0	111.8	F763 Q767 E793 L794 H801	F763-V797 HydrophobicContact CZ-CG1 4.03Å; Q767-V797 HydrophobicContact CG-CG1 4.19Å; E793-V797 WeakPolarHBondContact O-CB 3.41Å; E793-V797 VanDerWaalsContact O-CG2 3.29Å; E793-V797 WeakPolarHBondContact O-CG2 3.45Å; E793-V797 PolarHBondContact O-N 2.94Å; L794-V797 PolarHBondContact O-N 3Å; V797-H801 WeakPolarHBondContact O-CB 3.31Å; V797-H801 PolarHBondContact O-N 3.04Å
798	L	96.6	Very high	90.7	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-68.2	-47.8	175.5	-66.4	171	0	0	0	111.7	F763 Y764 Q767 M768 L794 Y795 K796 H801 Y802 F814 V818	F763-L798 HydrophobicContact CE1-CD2 4.36Å; Y764-L798 HydrophobicContact CD2-CD2 3.82Å; Y764-L798 HydrophobicContact CE2-CD1 4.3Å; Y764-L798 HydrophobicContact CE2-CD2 4.33Å; Q767-L798 HydrophobicContact CB-CD2 4.44Å; Q767-L798 HydrophobicContact CG-CD2 4.38Å; M768-L798 HydrophobicContact CE-CD1 3.86Å; M768-L798 HydrophobicContact CE-CD2 4.25Å; L794-L798 HydrophobicContact CD1-CD1 4.06Å; L794-L798 HydrophobicContact CD1-CG 4.2Å; L794-L798 HydrophobicContact CG-CD1 4.14Å; L794-L798 VanDerWaalsContact O-CG 3.24Å; L794-L798 WeakPolarHBondContact O-CG 3.3Å; L794-L798 PolarHBondContact O-N 3.1Å; Y795-L798 PolarHBondContact O-N 3.44Å; K796-L798 VanDerWaalsContact C-N 3.33Å; K796-L798 PolarHBondContact O-N 2.86Å; L798-H801 PolarHBondContact O-N 3.49Å; L798-H801 VanDerWaalsContact O-N 3.12Å; L798-Y802 HydrophobicContact CB-CD2 4.5Å; L798-Y802 HydrophobicContact CB-CE2 4.5Å; L798-Y802 HydrophobicContact CD2-CE2 4.05Å; L798-Y802 WeakPolarHBondContact O-CD2 3.34Å; L798-Y802 PolarHBondContact O-N 3.42Å; L798-F814 HydrophobicContact CB-CE1 4.44Å; L798-F814 HydrophobicContact CD1-CE1 4.39Å; L798-F814 HydrophobicContact CD1-CZ 4.33Å; L798-V818 HydrophobicContact CD1-CB 4.4Å; L798-V818 HydrophobicContact CD1-CG1 3.79Å; L798-V818 HydrophobicContact CD1-CG2 3.6Å
799	N	93.5	Very high	90.3	Very high	28 Å²	28	67.5 Å²	67.5	15%	0.15	34%	0.337	C	S	.	.	H	α-helix	trans	-61.7	-46.9	-179	-169.4	50.6	0	0	0	110.9	Y795 K796 H801 Y802 N803 N806	Y795-N799 VanDerWaalsContact O-CB 3.32Å; Y795-N799 WeakPolarHBondContact O-CB 3.27Å; Y795-N799 PolarHBondContact O-N 3.48Å; K796-N799 PolarHBondContact O-N 3.26Å; N799-H801 PolarHBondContact O-N 2.99Å; N799-Y802 PolarHBondContact O-N 2.71Å; N799-N803 CarbonylContact O-C 3.06Å; N799-N803 VanDerWaalsContact O-C 3.27Å; N799-N803 VanDerWaalsContact O-CA 3.29Å; N799-N803 WeakPolarHBondContact O-CA 3.29Å; N799-N803 WeakPolarHBondContact O-CB 3.01Å; N799-N803 PolarHBondContact O-N 2.91Å; N799-N803 WeakPolarHBondContact OD1-CB 2.97Å; N799-N803 PolarHBondContact OD1-ND2 3.45Å; N799-N806 PolarHBondContact ND2-OD1 3.5Å
800	L	94	Very high	90	Very high	117 Å²	117	65.6 Å²	65.6	61%	0.613	33%	0.327	S	S	*	.	H	α-helix	trans	-59.4	-31.5	174.9	-177.5	62.2	0	0	0	112.8	K796 R804	K796-L800 WeakPolarHBondContact O-CB 3.45Å; K796-L800 PolarHBondContact O-N 3.1Å; L800-R804 WeakPolarHBondContact O-CA 3.49Å
801	H	95.4	Very high	90.1	Very high	54 Å²	54	62.1 Å²	62.1	25%	0.25	31%	0.306	C	S	.	.	H	α-helix	trans	-74.2	-46.9	177	-170.4	99.6	0	0	0	113	K722 F763 V797 L798 N799	K722-H801 PolarHBondContact NZ-NE2 2.94Å; K722-H801 PolarHBondContact NZ-O 3.45Å; F763-H801 HydrophobicContact CD1-CB 4.19Å; F763-H801 AromaticContact CD1-CD2 3.91Å; F763-H801 AromaticContact CD1-CE1 3.9Å; F763-H801 AromaticContact CD1-CG 3.62Å; F763-H801 AromaticContact CD1-ND1 3.61Å; F763-H801 AromaticContact CD2-CE1 3.96Å; F763-H801 AromaticContact CD2-ND1 3.83Å; F763-H801 HydrophobicContact CE1-CB 3.46Å; F763-H801 VanDerWaalsContact CE1-CB 3.46Å; F763-H801 AromaticContact CE1-CG 3.35Å; F763-H801 AromaticContact CE1-ND1 3.43Å; F763-H801 WeakPolarHBondContact CE1-ND1 3.47Å; F763-H801 AromaticContact CE2-ND1 3.64Å; F763-H801 AromaticContact CG-CE1 3.79Å; F763-H801 AromaticContact CG-ND1 3.82Å; F763-H801 HydrophobicContact CZ-CB 3.87Å; F763-H801 AromaticContact CZ-CG 3.78Å; F763-H801 AromaticContact CZ-ND1 3.44Å; F763-H801 WeakPolarHBondContact CZ-ND1 3.29Å; V797-H801 WeakPolarHBondContact O-CB 3.31Å; V797-H801 PolarHBondContact O-N 3.04Å; L798-H801 PolarHBondContact O-N 3.49Å; L798-H801 VanDerWaalsContact O-N 3.12Å; N799-H801 PolarHBondContact O-N 2.99Å
802	Y	95.8	Very high	90.2	Very high	3 Å²	3	61.5 Å²	61.5	1%	0.012	31%	0.306	C	S	.	.	H	α-helix	trans	-88.3	-29.5	-174.1	-63.6	-62.8	0	0	0	113.6	K722 F725 F726 F760 L798 N799	K722-Y802 HydrophobicContact CB-CD1 4.32Å; K722-Y802 VanDerWaalsContact CB-O 3.31Å; K722-Y802 WeakPolarHBondContact CB-O 3.46Å; K722-Y802 HydrophobicContact CG-CD1 4.32Å; F725-Y802 HydrophobicContact CB-CD1 4.1Å; F725-Y802 HydrophobicContact CB-CE1 4.32Å; F725-Y802 AromaticContact CD1-CD1 3.87Å; F725-Y802 HydrophobicContact CD1-CD1 3.87Å; F725-Y802 HydrophobicContact CD1-CD2 4.08Å; F725-Y802 AromaticContact CD1-CE1 3.49Å; F725-Y802 HydrophobicContact CD1-CE1 3.49Å; F725-Y802 VanDerWaalsContact CD1-CE1 3.49Å; F725-Y802 AromaticContact CD1-CE2 3.71Å; F725-Y802 HydrophobicContact CD1-CE2 3.71Å; F725-Y802 HydrophobicContact CD1-CG 4.18Å; F725-Y802 AromaticContact CD1-CZ 3.41Å; F725-Y802 VanDerWaalsContact CD1-CZ 3.41Å; F725-Y802 AromaticContact CE1-CE1 3.86Å; F725-Y802 HydrophobicContact CE1-CE1 3.86Å; F725-Y802 AromaticContact CE1-CE2 3.76Å; F725-Y802 HydrophobicContact CE1-CE2 3.76Å; F725-Y802 AromaticContact CE1-CZ 3.37Å; F725-Y802 VanDerWaalsContact CE1-OH 3.3Å; F725-Y802 WeakPolarHBondContact CE1-OH 3.49Å; F725-Y802 HydrophobicContact CG-CD1 4.16Å; F725-Y802 AromaticContact CG-CE1 3.89Å; F725-Y802 HydrophobicContact CG-CE1 3.89Å; F726-Y802 HydrophobicContact CE1-CD2 4.37Å; F760-Y802 HydrophobicContact CB-CE1 3.87Å; F760-Y802 HydrophobicContact CD1-CE1 4.34Å; F760-Y802 HydrophobicContact CG-CE1 4.07Å; F760-Y802 PolarHBondContact O-OH 3.36Å; L798-Y802 HydrophobicContact CB-CD2 4.5Å; L798-Y802 HydrophobicContact CB-CE2 4.5Å; L798-Y802 HydrophobicContact CD2-CE2 4.05Å; L798-Y802 WeakPolarHBondContact O-CD2 3.34Å; L798-Y802 PolarHBondContact O-N 3.42Å; N799-Y802 PolarHBondContact O-N 2.71Å
803	N	92	Very high	90.2	Very high	7 Å²	7	61.7 Å²	61.7	4%	0.037	31%	0.307	C	S	.	.	S	Bend	trans	-134.3	58.7	-168.5	-179.6	29.5	0	0	0	108.1	L723 F726 N799 N805 N806 H807 V808	L723-N803 HydrophobicContact CD2-CB 3.95Å; F726-N803 HydrophobicContact CE2-CB 3.77Å; F726-N803 HydrophobicContact CZ-CB 3.62Å; N799-N803 CarbonylContact O-C 3.06Å; N799-N803 VanDerWaalsContact O-C 3.27Å; N799-N803 VanDerWaalsContact O-CA 3.29Å; N799-N803 WeakPolarHBondContact O-CA 3.29Å; N799-N803 WeakPolarHBondContact O-CB 3.01Å; N799-N803 PolarHBondContact O-N 2.91Å; N799-N803 WeakPolarHBondContact OD1-CB 2.97Å; N799-N803 PolarHBondContact OD1-ND2 3.45Å; N803-N805 PolarHBondContact O-N 2.96Å; N803-N806 PolarHBondContact ND2-OD1 2.9Å; N803-N806 WeakPolarHBondContact O-CA 3.42Å; N803-N806 PolarHBondContact O-N 3.3Å; N803-N806 WeakPolarHBondContact OD1-CA 3.45Å; N803-H807 PolarHBondContact OD1-N 2.94Å; N803-V808 PolarHBondContact ND2-O 3.28Å; N803-V808 PolarHBondContact OD1-N 3.2Å
804	R	88.7	Confident	90.2	Very high	205 Å²	205	56.8 Å²	56.8	77%	0.774	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-38.1	-170	-178.6	-178.1	179.8	-176.5	-0.7	113.7	L800	L800-R804 WeakPolarHBondContact O-CA 3.49Å
805	N	83.5	Confident	90.1	Very high	85 Å²	85	59.5 Å²	59.5	46%	0.455	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-2.9	-177.3	-52.2	16.6	0	0	0	112.7	N803 H807	N803-N805 PolarHBondContact O-N 2.96Å; N805-H807 VanDerWaalsContact C-N 3.3Å; N805-H807 WeakPolarHBondContact CB-CD2 3.04Å; N805-H807 WeakPolarHBondContact CB-NE2 3.39Å; N805-H807 PolarHBondContact ND2-CE1 3.27Å; N805-H807 PolarHBondContact ND2-NE2 2.68Å; N805-H807 PolarHBondContact O-CD2 3.02Å; N805-H807 VanDerWaalsContact O-CD2 3.28Å; N805-H807 PolarHBondContact O-N 3.41Å
806	N	83.6	Confident	90.1	Very high	101 Å²	101	66.3 Å²	66.3	54%	0.54	32%	0.32	S	S	.	.			trans	61.3	24.5	-179.1	-157.7	45.1	0	0	0	116.2	N799 N803 V808	N799-N806 PolarHBondContact ND2-OD1 3.5Å; N803-N806 PolarHBondContact ND2-OD1 2.9Å; N803-N806 WeakPolarHBondContact O-CA 3.42Å; N803-N806 PolarHBondContact O-N 3.3Å; N803-N806 WeakPolarHBondContact OD1-CA 3.45Å; N806-V808 VanDerWaalsContact C-N 3.3Å; N806-V808 PolarHBondContact O-N 3.47Å
807	H	71.5	Confident	90.3	Very high	73 Å²	73	61.7 Å²	61.7	34%	0.338	30%	0.3	S	S	.	.			trans	-65.2	-28.6	-175.3	-59.5	-175.8	0	0	0	113.7	N803 N805 L867	N803-H807 PolarHBondContact OD1-N 2.94Å; N805-H807 VanDerWaalsContact C-N 3.3Å; N805-H807 WeakPolarHBondContact CB-CD2 3.04Å; N805-H807 WeakPolarHBondContact CB-NE2 3.39Å; N805-H807 PolarHBondContact ND2-CE1 3.27Å; N805-H807 PolarHBondContact ND2-NE2 2.68Å; N805-H807 PolarHBondContact O-CD2 3.02Å; N805-H807 VanDerWaalsContact O-CD2 3.28Å; N805-H807 PolarHBondContact O-N 3.41Å; H807-L867 HydrophobicContact CB-CB 4.24Å; H807-L867 HydrophobicContact CB-CD2 4.3Å; H807-L867 PolarHBondContact CE1-O 3.24Å; H807-L867 VanDerWaalsContact CG-O 3.26Å; H807-L867 PolarHBondContact ND1-O 3.08Å
808	V	79	Confident	90.3	Very high	17 Å²	17	59.8 Å²	59.8	10%	0.103	29%	0.289	C	S	.	.	S	Bend	trans	-112.9	133	-179.3	-178.4	0	0	0	0	110	L723 N803 N806 A810 L867	L723-V808 HydrophobicContact CD1-CG2 4.17Å; L723-V808 HydrophobicContact CD2-CB 4.38Å; L723-V808 HydrophobicContact CD2-CG2 4.27Å; N803-V808 PolarHBondContact ND2-O 3.28Å; N803-V808 PolarHBondContact OD1-N 3.2Å; N806-V808 VanDerWaalsContact C-N 3.3Å; N806-V808 PolarHBondContact O-N 3.47Å; V808-A810 PolarHBondContact O-N 3.33Å; V808-L867 HydrophobicContact CG2-CD1 3.67Å; V808-L867 HydrophobicContact CG2-CD2 3.9Å; V808-L867 HydrophobicContact CG2-CG 4.48Å
809	M	82.7	Confident	90.3	Very high	180 Å²	180	61.5 Å²	61.5	89%	0.887	30%	0.297	S	S	*	.			trans	-68.7	115	169.1	-73.6	-168.7	71.5	0	0	110.4
810	A	86.4	Confident	90.5	Very high	19 Å²	19	61.5 Å²	61.5	16%	0.157	30%	0.301	C	S	.	.			trans	-60.3	126.3	178.8	0	0	0	0	0	111.3	F726 Y795 V808	F726-A810 HydrophobicContact CD1-CB 4.27Å; F726-A810 HydrophobicContact CD2-CB 4.38Å; F726-A810 HydrophobicContact CE1-CB 3.9Å; F726-A810 HydrophobicContact CE2-CB 4Å; F726-A810 HydrophobicContact CG-CB 4.5Å; F726-A810 HydrophobicContact CZ-CB 3.75Å; Y795-A810 HydrophobicContact CE1-CB 4.39Å; Y795-A810 VanDerWaalsContact OH-CB 3.31Å; Y795-A810 WeakPolarHBondContact OH-CB 3.31Å; Y795-A810 PolarHBondContact OH-O 3.44Å; V808-A810 PolarHBondContact O-N 3.33Å
811	P	91.5	Very high	90.6	Very high	21 Å²	21	56 Å²	56	14%	0.136	27%	0.272	C	S	.	.			trans	-56.7	147.7	-172.9	-28.5	34.3	0	0	0	116	F726 Y727 S813 F814 R815	F726-P811 HydrophobicContact CB-CG 4.42Å; Y727-P811 HydrophobicContact CD1-CG 4.32Å; Y727-P811 HydrophobicContact CE1-CB 4.43Å; Y727-P811 HydrophobicContact CE1-CG 3.54Å; Y727-P811 HydrophobicContact CE2-CG 4.17Å; Y727-P811 VanDerWaalsContact CZ-CG 3.45Å; Y727-P811 WeakPolarHBondContact OH-CG 3.37Å; P811-S813 PolarHBondContact O-N 3.33Å; P811-F814 HydrophobicContact CB-CB 4.45Å; P811-F814 WeakPolarHBondContact O-CB 3.38Å; P811-F814 PolarHBondContact O-N 3.29Å; P811-F814 VanDerWaalsContact O-N 3.08Å; P811-R815 PolarHBondContact O-N 3.09Å
812	V	91.4	Very high	90.7	Very high	91 Å²	91	54 Å²	54	55%	0.552	26%	0.263	S	S	*	.	H	α-helix	trans	-62.1	-28.3	172.7	-175.3	0	0	0	0	111.8	R815 R816	V812-R815 WeakPolarHBondContact O-CB 3.5Å; V812-R815 PolarHBondContact O-N 2.84Å; V812-R816 WeakPolarHBondContact O-CG 3.2Å; V812-R816 PolarHBondContact O-N 3.02Å
813	S	92.8	Very high	90.8	Very high	28 Å²	28	55.8 Å²	55.8	20%	0.196	27%	0.271	C	S	.	.	H	α-helix	trans	-65	-45.5	172.1	61.1	0	0	0	0	111.8	P811 R815 R816 V817 D852	P811-S813 PolarHBondContact O-N 3.33Å; S813-R815 VanDerWaalsContact C-N 3.27Å; S813-R815 PolarHBondContact O-N 3.13Å; S813-R816 WeakPolarHBondContact O-CA 3.36Å; S813-R816 WeakPolarHBondContact O-CB 3.46Å; S813-R816 PolarHBondContact O-N 2.84Å; S813-V817 WeakPolarHBondContact O-CG2 3.32Å; S813-V817 PolarHBondContact O-N 3.42Å; S813-D852 WeakPolarHBondContact CB-OD2 3.42Å; S813-D852 PolarHBondContact OG-OD2 3.02Å
814	F	95.5	Very high	91.1	Very high	1 Å²	1	58.3 Å²	58.3	0%	0.004	28%	0.283	C	S	.	.	H	α-helix	trans	-55.4	-41.9	173.9	-178.4	-109.5	0	0	0	111.8	F726 Y764 Y795 L798 P811 R816 V817 V818	F726-F814 HydrophobicContact CB-CB 4.45Å; F726-F814 HydrophobicContact CB-CD2 4.42Å; F726-F814 HydrophobicContact CB-CG 4.36Å; F726-F814 AromaticContact CD1-CD1 3.61Å; F726-F814 HydrophobicContact CD1-CD1 3.61Å; F726-F814 HydrophobicContact CD1-CD2 4.01Å; F726-F814 AromaticContact CD1-CE1 3.65Å; F726-F814 HydrophobicContact CD1-CE1 3.65Å; F726-F814 HydrophobicContact CD1-CE2 4.03Å; F726-F814 AromaticContact CD1-CG 3.79Å; F726-F814 HydrophobicContact CD1-CG 3.79Å; F726-F814 AromaticContact CD1-CZ 3.86Å; F726-F814 HydrophobicContact CD1-CZ 3.86Å; F726-F814 HydrophobicContact CE1-CD1 4.01Å; F726-F814 AromaticContact CE1-CE1 3.76Å; F726-F814 HydrophobicContact CE1-CE1 3.76Å; F726-F814 HydrophobicContact CE1-CZ 4.17Å; F726-F814 HydrophobicContact CG-CG 4.5Å; F726-F814 WeakPolarHBondContact O-CD2 3.43Å; Y764-F814 AromaticContact CE2-CE2 3.98Å; Y764-F814 HydrophobicContact CE2-CE2 3.98Å; Y764-F814 AromaticContact CE2-CZ 3.98Å; Y764-F814 HydrophobicContact CE2-CZ 3.98Å; Y795-F814 HydrophobicContact CE2-CD1 4.05Å; Y795-F814 HydrophobicContact CE2-CE1 4.42Å; L798-F814 HydrophobicContact CB-CE1 4.44Å; L798-F814 HydrophobicContact CD1-CE1 4.39Å; L798-F814 HydrophobicContact CD1-CZ 4.33Å; P811-F814 HydrophobicContact CB-CB 4.45Å; P811-F814 WeakPolarHBondContact O-CB 3.38Å; P811-F814 PolarHBondContact O-N 3.29Å; P811-F814 VanDerWaalsContact O-N 3.08Å; F814-R816 PolarHBondContact O-N 2.9Å; F814-V817 PolarHBondContact O-N 3.42Å; F814-V817 VanDerWaalsContact O-N 3.15Å; F814-V818 HydrophobicContact CD1-CG2 4.18Å; F814-V818 HydrophobicContact CE1-CG2 3.78Å; F814-V818 HydrophobicContact CE2-CG2 4.17Å; F814-V818 HydrophobicContact CZ-CG2 3.78Å; F814-V818 WeakPolarHBondContact O-CG2 3.27Å; F814-V818 PolarHBondContact O-N 3.26Å
815	R	94.3	Very high	91.5	Very high	62 Å²	62	48.6 Å²	48.6	23%	0.234	25%	0.246	C	C	.	.	H	α-helix	trans	-57.7	-44.6	173.9	-162.8	-177.2	69.7	61.9	2.5	112.2	V788 Y795 P811 V812 S813 V817 V818 E819	V788-R815 HydrophobicContact CG1-CG 4.44Å; V788-R815 WeakPolarHBondContact O-CD 3.46Å; V788-R815 WeakPolarHBondContact O-CG 3.17Å; V788-R815 PolarHBondContact O-NH1 2.74Å; Y795-R815 HydrophobicContact CD2-CG 4.14Å; Y795-R815 HydrophobicContact CE2-CB 3.77Å; Y795-R815 HydrophobicContact CE2-CG 3.8Å; P811-R815 PolarHBondContact O-N 3.09Å; V812-R815 WeakPolarHBondContact O-CB 3.5Å; V812-R815 PolarHBondContact O-N 2.84Å; S813-R815 VanDerWaalsContact C-N 3.27Å; S813-R815 PolarHBondContact O-N 3.13Å; R815-V817 PolarHBondContact O-N 2.92Å; R815-V818 PolarHBondContact O-N 3.34Å; R815-E819 IonicContact CZ-OE2 3.5Å; R815-E819 IonicContact NH1-OE2 3.1Å; R815-E819 PolarHBondContact NH1-OE2 2.98Å; R815-E819 WeakPolarHBondContact O-CB 3.32Å; R815-E819 PolarHBondContact O-N 2.9Å
816	R	94.7	Very high	92.2	Very high	160 Å²	160	44.6 Å²	44.6	60%	0.604	23%	0.225	S	C	*	.	H	α-helix	trans	-63.5	-37.3	174.8	-64.1	170.8	-177.9	158.9	-0.5	112.6	V812 S813 F814 E819 A820	V812-R816 WeakPolarHBondContact O-CG 3.2Å; V812-R816 PolarHBondContact O-N 3.02Å; S813-R816 WeakPolarHBondContact O-CA 3.36Å; S813-R816 WeakPolarHBondContact O-CB 3.46Å; S813-R816 PolarHBondContact O-N 2.84Å; F814-R816 PolarHBondContact O-N 2.9Å; R816-E819 PolarHBondContact O-N 3.46Å; R816-A820 WeakPolarHBondContact O-CB 3.4Å; R816-A820 PolarHBondContact O-N 3.48Å
817	V	96.8	Very high	92.8	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.024	22%	0.215	C	C	.	.	H	α-helix	trans	-66.4	-41.4	175.7	-178.9	0	0	0	0	110.9	S813 F814 R815 T821 I847 M850	S813-V817 WeakPolarHBondContact O-CG2 3.32Å; S813-V817 PolarHBondContact O-N 3.42Å; F814-V817 PolarHBondContact O-N 3.42Å; F814-V817 VanDerWaalsContact O-N 3.15Å; R815-V817 PolarHBondContact O-N 2.92Å; V817-T821 WeakPolarHBondContact O-CB 3.23Å; V817-T821 PolarHBondContact O-N 3.08Å; V817-T821 PolarHBondContact O-OG1 2.89Å; V817-I847 HydrophobicContact CG1-CG2 3.98Å; V817-M850 HydrophobicContact CG1-CB 4.47Å; V817-M850 HydrophobicContact CG2-CB 3.96Å; V817-M850 HydrophobicContact CG2-CE 4.18Å
818	V	97.4	Very high	94	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.5	-46.3	174.7	176.2	0	0	0	0	111.2	Y764 M768 V788 L794 L798 F814 R815 T821 L822	Y764-V818 HydrophobicContact CE2-CG2 3.89Å; Y764-V818 WeakPolarHBondContact OH-CA 3.45Å; M768-V818 HydrophobicContact CE-CG1 3.97Å; M768-V818 HydrophobicContact SD-CG1 4.27Å; V788-V818 HydrophobicContact CG1-CB 4.4Å; V788-V818 HydrophobicContact CG1-CG1 3.8Å; V788-V818 HydrophobicContact CG2-CG1 4.24Å; L794-V818 HydrophobicContact CD2-CG1 3.74Å; L794-V818 HydrophobicContact CG-CG1 4.1Å; L798-V818 HydrophobicContact CD1-CB 4.4Å; L798-V818 HydrophobicContact CD1-CG1 3.79Å; L798-V818 HydrophobicContact CD1-CG2 3.6Å; F814-V818 HydrophobicContact CD1-CG2 4.18Å; F814-V818 HydrophobicContact CE1-CG2 3.78Å; F814-V818 HydrophobicContact CE2-CG2 4.17Å; F814-V818 HydrophobicContact CZ-CG2 3.78Å; F814-V818 WeakPolarHBondContact O-CG2 3.27Å; F814-V818 PolarHBondContact O-N 3.26Å; R815-V818 PolarHBondContact O-N 3.34Å; V818-T821 PolarHBondContact O-N 2.71Å; V818-L822 WeakPolarHBondContact O-CB 3.19Å; V818-L822 PolarHBondContact O-N 3.23Å
819	E	96.3	Very high	94.8	Very high	36 Å²	36	39.4 Å²	39.4	17%	0.168	20%	0.199	C	C	.	.	H	α-helix	trans	-59.1	-52.6	177.7	-164.6	158.8	-155.4	0	0	111.2	R787 V788 R815 R816 T821 L822 H823	R787-E819 WeakPolarHBondContact CA-OE1 3.43Å; V788-E819 HydrophobicContact CB-CB 4.09Å; V788-E819 HydrophobicContact CB-CG 4.34Å; V788-E819 HydrophobicContact CG2-CB 4.1Å; V788-E819 HydrophobicContact CG2-CG 4.3Å; V788-E819 PolarHBondContact N-OE1 3.36Å; R815-E819 IonicContact CZ-OE2 3.5Å; R815-E819 IonicContact NH1-OE2 3.1Å; R815-E819 PolarHBondContact NH1-OE2 2.98Å; R815-E819 WeakPolarHBondContact O-CB 3.32Å; R815-E819 PolarHBondContact O-N 2.9Å; R816-E819 PolarHBondContact O-N 3.46Å; E819-T821 VanDerWaalsContact C-N 3.34Å; E819-T821 PolarHBondContact O-N 3.38Å; E819-L822 PolarHBondContact O-N 3.25Å; E819-H823 PolarHBondContact O-CD2 3.34Å; E819-H823 PolarHBondContact O-N 2.7Å
820	A	96.4	Very high	95.4	Very high	28 Å²	28	34.6 Å²	34.6	23%	0.231	17%	0.174	C	C	.	.	H	α-helix	trans	-63.3	-34.8	176.4	0	0	0	0	0	113.5	R816 H823 E824 M850	R816-A820 WeakPolarHBondContact O-CB 3.4Å; R816-A820 PolarHBondContact O-N 3.48Å; A820-H823 PolarHBondContact O-N 3.02Å; A820-E824 PolarHBondContact O-N 2.99Å; A820-M850 HydrophobicContact CB-CE 3.76Å; A820-M850 HydrophobicContact CB-SD 4.02Å
821	T	97.7	Very high	95.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-68.6	-42.9	175.3	-50.5	0	0	0	0	111.2	Y764 Y765 M768 V817 V818 E819 H823 E824 F825 I843 I847	Y764-T821 HydrophobicContact CE1-CG2 4.03Å; Y764-T821 PolarHBondContact OH-OG1 2.89Å; Y765-T821 HydrophobicContact CD1-CG2 4.3Å; Y765-T821 HydrophobicContact CE1-CG2 4.04Å; M768-T821 HydrophobicContact CB-CG2 4.16Å; M768-T821 HydrophobicContact CG-CG2 3.53Å; M768-T821 HydrophobicContact SD-CG2 3.93Å; V817-T821 WeakPolarHBondContact O-CB 3.23Å; V817-T821 PolarHBondContact O-N 3.08Å; V817-T821 PolarHBondContact O-OG1 2.89Å; V818-T821 PolarHBondContact O-N 2.71Å; E819-T821 VanDerWaalsContact C-N 3.34Å; E819-T821 PolarHBondContact O-N 3.38Å; T821-H823 VanDerWaalsContact C-N 3.27Å; T821-H823 PolarHBondContact O-N 3.22Å; T821-E824 PolarHBondContact O-N 3.12Å; T821-F825 HydrophobicContact CG2-CD2 3.72Å; T821-F825 HydrophobicContact CG2-CE2 3.78Å; T821-F825 WeakPolarHBondContact O-CD2 3.45Å; T821-F825 PolarHBondContact O-N 3.48Å; T821-I843 HydrophobicContact CG2-CG2 4.27Å; T821-I847 HydrophobicContact CG2-CD1 3.95Å; T821-I847 HydrophobicContact CG2-CG1 3.91Å; T821-I847 WeakPolarHBondContact OG1-CD1 3.41Å; T821-I847 WeakPolarHBondContact OG1-CG1 3.43Å
822	L	97.6	Very high	96	Very high	12 Å²	12	37.5 Å²	37.5	6%	0.063	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-40.1	176.7	-175.5	65	0	0	0	110.8	A772 L786 V788 L794 V818 E819 F825 F826	A772-L822 HydrophobicContact CB-CD1 4.15Å; L786-L822 HydrophobicContact CB-CD2 4.07Å; L786-L822 HydrophobicContact CD1-CD2 4.43Å; L786-L822 HydrophobicContact CD1-CG 4.29Å; V788-L822 HydrophobicContact CG2-CD2 3.78Å; L794-L822 HydrophobicContact CD2-CD1 4.35Å; L794-L822 HydrophobicContact CD2-CD2 4.08Å; V818-L822 WeakPolarHBondContact O-CB 3.19Å; V818-L822 PolarHBondContact O-N 3.23Å; E819-L822 PolarHBondContact O-N 3.25Å; L822-F825 PolarHBondContact O-N 2.89Å; L822-F826 VanDerWaalsContact O-CB 3.29Å; L822-F826 WeakPolarHBondContact O-CB 3.25Å; L822-F826 PolarHBondContact O-N 3.21Å
823	H	97.3	Very high	96.1	Very high	42 Å²	42	37.9 Å²	37.9	19%	0.194	19%	0.191	C	C	.	.	H	α-helix	trans	-63.1	-46.5	174.8	-69	-164.8	0	0	0	112.4	S783 L786 E819 A820 T821 F825 F826 N827	S783-H823 PolarHBondContact O-CD2 2.65Å; S783-H823 PolarHBondContact O-CE1 3.47Å; S783-H823 PolarHBondContact O-NE2 3.1Å; L786-H823 PolarHBondContact O-NE2 2.66Å; E819-H823 PolarHBondContact O-CD2 3.34Å; E819-H823 PolarHBondContact O-N 2.7Å; A820-H823 PolarHBondContact O-N 3.02Å; T821-H823 VanDerWaalsContact C-N 3.27Å; T821-H823 PolarHBondContact O-N 3.22Å; H823-F825 PolarHBondContact O-N 2.94Å; H823-F826 PolarHBondContact O-N 3.11Å; H823-N827 WeakPolarHBondContact O-CB 3.06Å; H823-N827 VanDerWaalsContact O-CG 3.27Å; H823-N827 PolarHBondContact O-N 3.14Å; H823-N827 PolarHBondContact O-ND2 2.87Å
824	E	97.6	Very high	96.3	Very high	60 Å²	60	38.1 Å²	38.1	28%	0.28	19%	0.19	S	C	.	.	H	α-helix	trans	-62.7	-39.9	176.2	-81.1	-75	164.6	0	0	112.7	A820 T821 A828 I843 V846	A820-E824 PolarHBondContact O-N 2.99Å; T821-E824 PolarHBondContact O-N 3.12Å; E824-A828 VanDerWaalsContact O-CB 3.32Å; E824-A828 WeakPolarHBondContact O-CB 3.35Å; E824-A828 PolarHBondContact O-N 2.76Å; E824-I843 HydrophobicContact CB-CB 4.39Å; E824-I843 HydrophobicContact CB-CD1 4.43Å; E824-I843 HydrophobicContact CB-CG1 4.11Å; E824-I843 HydrophobicContact CB-CG2 3.74Å; E824-V846 HydrophobicContact CG-CB 4.48Å; E824-V846 HydrophobicContact CG-CG1 4.38Å; E824-V846 HydrophobicContact CG-CG2 4.34Å
825	F	97.7	Very high	96.2	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.4	-46.3	174.4	-90.1	-97.6	0	0	0	111.9	Y765 M768 E769 A772 T821 L822 H823 A828 I829 W839 I843	Y765-F825 AromaticContact CD1-CE2 3.58Å; Y765-F825 HydrophobicContact CD1-CE2 3.58Å; Y765-F825 AromaticContact CD1-CZ 3.74Å; Y765-F825 HydrophobicContact CD1-CZ 3.74Å; Y765-F825 HydrophobicContact CE1-CE2 4.16Å; Y765-F825 HydrophobicContact CG-CE2 4.44Å; Y765-F825 HydrophobicContact CG-CZ 4.16Å; M768-F825 HydrophobicContact CB-CD1 4.37Å; M768-F825 HydrophobicContact CB-CD2 3.69Å; M768-F825 HydrophobicContact CB-CE2 3.88Å; M768-F825 HydrophobicContact CB-CG 3.95Å; M768-F825 HydrophobicContact CB-CZ 4.31Å; M768-F825 HydrophobicContact CG-CD2 4.46Å; M768-F825 HydrophobicContact CG-CE2 4.46Å; E769-F825 HydrophobicContact CB-CD1 3.79Å; E769-F825 HydrophobicContact CB-CE1 3.77Å; E769-F825 HydrophobicContact CG-CD1 4.26Å; E769-F825 HydrophobicContact CG-CE1 4.36Å; A772-F825 HydrophobicContact CB-CB 3.81Å; T821-F825 HydrophobicContact CG2-CD2 3.72Å; T821-F825 HydrophobicContact CG2-CE2 3.78Å; T821-F825 WeakPolarHBondContact O-CD2 3.45Å; T821-F825 PolarHBondContact O-N 3.48Å; L822-F825 PolarHBondContact O-N 2.89Å; H823-F825 PolarHBondContact O-N 2.94Å; F825-A828 PolarHBondContact O-N 3.13Å; F825-I829 WeakPolarHBondContact O-CD1 3.45Å; F825-I829 VanDerWaalsContact O-CG1 3.27Å; F825-I829 WeakPolarHBondContact O-CG1 3.4Å; F825-I829 PolarHBondContact O-N 3.01Å; F825-W839 AromaticContact CD1-CH2 3.64Å; F825-W839 HydrophobicContact CD1-CH2 3.64Å; F825-W839 AromaticContact CD1-CZ3 3.73Å; F825-W839 HydrophobicContact CD1-CZ3 3.73Å; F825-W839 AromaticContact CE1-CH2 3.72Å; F825-W839 HydrophobicContact CE1-CH2 3.72Å; F825-W839 AromaticContact CE1-CZ3 3.91Å; F825-W839 HydrophobicContact CE1-CZ3 3.91Å; F825-W839 HydrophobicContact CG-CZ3 4.46Å; F825-I843 HydrophobicContact CD1-CD1 4.25Å; F825-I843 HydrophobicContact CD2-CD1 3.73Å; F825-I843 HydrophobicContact CD2-CG2 3.8Å; F825-I843 HydrophobicContact CE1-CD1 4.41Å; F825-I843 HydrophobicContact CE2-CB 4.4Å; F825-I843 HydrophobicContact CE2-CD1 3.93Å; F825-I843 HydrophobicContact CE2-CG2 3.62Å; F825-I843 HydrophobicContact CG-CD1 3.92Å; F825-I843 HydrophobicContact CZ-CD1 4.26Å
826	F	97.5	Very high	96.2	Very high	1 Å²	1	48.7 Å²	48.7	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-59	-50.6	175.8	179.8	-90.6	0	0	0	110.9	A772 A775 I776 V780 L786 L822 H823 A828 I829 H830	A772-F826 HydrophobicContact CB-CB 4.31Å; A775-F826 HydrophobicContact CB-CD2 4.29Å; A775-F826 HydrophobicContact CB-CE2 4.32Å; I776-F826 HydrophobicContact CD1-CD2 3.97Å; I776-F826 HydrophobicContact CD1-CE2 4.19Å; I776-F826 HydrophobicContact CG1-CD2 3.58Å; I776-F826 HydrophobicContact CG1-CE2 3.38Å; I776-F826 HydrophobicContact CG1-CZ 4.25Å; V780-F826 HydrophobicContact CB-CE2 4.21Å; V780-F826 HydrophobicContact CB-CZ 4.47Å; V780-F826 HydrophobicContact CG1-CE2 4.15Å; V780-F826 HydrophobicContact CG1-CZ 4.13Å; L786-F826 HydrophobicContact CD1-CB 3.9Å; L786-F826 HydrophobicContact CD1-CD1 4.48Å; L786-F826 HydrophobicContact CD1-CD2 3.43Å; L786-F826 VanDerWaalsContact CD1-CD2 3.43Å; L786-F826 HydrophobicContact CD1-CE2 4.01Å; L786-F826 HydrophobicContact CD1-CG 3.69Å; L822-F826 VanDerWaalsContact O-CB 3.29Å; L822-F826 WeakPolarHBondContact O-CB 3.25Å; L822-F826 PolarHBondContact O-N 3.21Å; H823-F826 PolarHBondContact O-N 3.11Å; F826-A828 VanDerWaalsContact C-N 3.25Å; F826-A828 PolarHBondContact O-N 3.4Å; F826-I829 PolarHBondContact O-N 3.43Å; F826-I829 VanDerWaalsContact O-N 3.17Å; F826-H830 HydrophobicContact CD1-CB 4.32Å; F826-H830 HydrophobicContact CE1-CB 4.12Å; F826-H830 AromaticContact CE1-ND1 3.78Å; F826-H830 HydrophobicContact CZ-CB 4.41Å; F826-H830 AromaticContact CZ-ND1 3.41Å; F826-H830 WeakPolarHBondContact CZ-ND1 3.46Å; F826-H830 WeakPolarHBondContact O-CB 3.18Å; F826-H830 PolarHBondContact O-N 2.94Å
827	N	96.7	Very high	96.2	Very high	63 Å²	63	47 Å²	47	34%	0.337	25%	0.253	S	S	.	.	H	α-helix	trans	-67.4	-21.7	-179.6	-71.7	-28.8	0	0	0	113.3	S783 H823 S831 R833	S783-N827 WeakPolarHBondContact CB-ND2 3.42Å; S783-N827 PolarHBondContact OG-ND2 3.3Å; H823-N827 WeakPolarHBondContact O-CB 3.06Å; H823-N827 VanDerWaalsContact O-CG 3.27Å; H823-N827 PolarHBondContact O-N 3.14Å; H823-N827 PolarHBondContact O-ND2 2.87Å; N827-S831 PolarHBondContact O-OG 3.36Å; N827-R833 PolarHBondContact O-NH2 3.11Å
828	A	96.8	Very high	96.1	Very high	2 Å²	2	50 Å²	50	2%	0.017	28%	0.275	C	S	.	.	H	α-helix	trans	-76	-46	169.4	0	0	0	0	0	112.2	E824 F825 F826 S831 G832 R833 D834 W839 I843	E824-A828 VanDerWaalsContact O-CB 3.32Å; E824-A828 WeakPolarHBondContact O-CB 3.35Å; E824-A828 PolarHBondContact O-N 2.76Å; F825-A828 PolarHBondContact O-N 3.13Å; F826-A828 VanDerWaalsContact C-N 3.25Å; F826-A828 PolarHBondContact O-N 3.4Å; A828-S831 PolarHBondContact O-OG 3.04Å; A828-G832 PolarHBondContact O-N 3.15Å; A828-R833 WeakPolarHBondContact O-CB 3.45Å; A828-R833 PolarHBondContact O-N 3.21Å; A828-D834 PolarHBondContact O-N 3.49Å; A828-W839 HydrophobicContact CB-CE3 3.69Å; A828-W839 HydrophobicContact CB-CZ3 3.81Å; A828-I843 HydrophobicContact CB-CD1 4.15Å
829	I	96.9	Very high	96.1	Very high	18 Å²	18	51.5 Å²	51.5	9%	0.092	28%	0.28	C	S	.	.	H	α-helix	trans	-76.8	-41.3	-175.4	-59.7	158.8	0	0	0	111.3	E769 A772 R773 I776 F825 F826 S831 G832 D834 W839	E769-I829 HydrophobicContact CG-CD1 4.27Å; A772-I829 HydrophobicContact CB-CD1 3.9Å; R773-I829 HydrophobicContact CG-CD1 3.86Å; R773-I829 HydrophobicContact CG-CG2 4.39Å; I776-I829 HydrophobicContact CD1-CB 3.72Å; I776-I829 HydrophobicContact CD1-CG2 3.54Å; F825-I829 WeakPolarHBondContact O-CD1 3.45Å; F825-I829 VanDerWaalsContact O-CG1 3.27Å; F825-I829 WeakPolarHBondContact O-CG1 3.4Å; F825-I829 PolarHBondContact O-N 3.01Å; F826-I829 PolarHBondContact O-N 3.43Å; F826-I829 VanDerWaalsContact O-N 3.17Å; I829-S831 PolarHBondContact O-N 3.25Å; I829-G832 PolarHBondContact O-N 2.6Å; I829-D834 HydrophobicContact CB-CB 4.38Å; I829-D834 HydrophobicContact CG1-CB 3.74Å; I829-W839 HydrophobicContact CD1-CH2 4.13Å; I829-W839 HydrophobicContact CG1-CH2 3.98Å; I829-W839 HydrophobicContact CG1-CZ3 4.3Å
830	H	95.3	Very high	96.2	Very high	79 Å²	79	52.6 Å²	52.6	37%	0.366	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-28	178.4	-163.7	106.1	0	0	0	112.4	I776 F826	I776-H830 HydrophobicContact CD1-CB 4.01Å; F826-H830 HydrophobicContact CD1-CB 4.32Å; F826-H830 HydrophobicContact CE1-CB 4.12Å; F826-H830 AromaticContact CE1-ND1 3.78Å; F826-H830 HydrophobicContact CZ-CB 4.41Å; F826-H830 AromaticContact CZ-ND1 3.41Å; F826-H830 WeakPolarHBondContact CZ-ND1 3.46Å; F826-H830 WeakPolarHBondContact O-CB 3.18Å; F826-H830 PolarHBondContact O-N 2.94Å
831	S	94.5	Very high	96.1	Very high	66 Å²	66	57.2 Å²	57.2	46%	0.462	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	7.5	173.3	58.4	0	0	0	0	114	N827 A828 I829 R833	N827-S831 PolarHBondContact O-OG 3.36Å; A828-S831 PolarHBondContact O-OG 3.04Å; I829-S831 PolarHBondContact O-N 3.25Å; S831-R833 PolarHBondContact O-N 3.4Å; S831-R833 VanDerWaalsContact O-N 3.13Å; S831-R833 PolarHBondContact OG-NE 2.87Å
832	G	94.4	Very high	96	Very high	34 Å²	34	59.8 Å²	59.8	35%	0.351	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	4.9	-178.9	0	0	0	0	0	115.2	A828 I829 D834 M835	A828-G832 PolarHBondContact O-N 3.15Å; I829-G832 PolarHBondContact O-N 2.6Å; G832-D834 PolarHBondContact O-N 2.86Å; G832-M835 WeakPolarHBondContact O-CB 3.42Å; G832-M835 PolarHBondContact O-N 3.37Å
833	R	94.5	Very high	96	Very high	100 Å²	100	59.2 Å²	59.2	38%	0.377	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-67.9	-14.4	179.3	-68.6	-177.4	-67.3	155	3	112.6	N827 A828 S831 M835 E836 W839	N827-R833 PolarHBondContact O-NH2 3.11Å; A828-R833 WeakPolarHBondContact O-CB 3.45Å; A828-R833 PolarHBondContact O-N 3.21Å; S831-R833 PolarHBondContact O-N 3.4Å; S831-R833 VanDerWaalsContact O-N 3.13Å; S831-R833 PolarHBondContact OG-NE 2.87Å; R833-M835 PolarHBondContact O-N 3.47Å; R833-E836 WeakPolarHBondContact O-CB 3.45Å; R833-E836 PolarHBondContact O-N 3.07Å; R833-W839 WeakPolarHBondContact O-CB 3.43Å
834	D	95.7	Very high	96	Very high	32 Å²	32	60.9 Å²	60.9	17%	0.171	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-67.8	-13.3	173.9	75.6	-51.8	0	0	0	114.1	R773 A828 I829 G832 E836 W839	R773-D834 IonicContact CZ-OD2 2.74Å; R773-D834 IonicContact NH1-OD2 2.79Å; R773-D834 PolarHBondContact NH1-OD2 3.41Å; R773-D834 IonicContact NH2-OD2 3.45Å; R773-D834 PolarHBondContact NH2-OD2 2.87Å; A828-D834 PolarHBondContact O-N 3.49Å; I829-D834 HydrophobicContact CB-CB 4.38Å; I829-D834 HydrophobicContact CG1-CB 3.74Å; G832-D834 PolarHBondContact O-N 2.86Å; D834-E836 VanDerWaalsContact C-N 3.32Å; D834-W839 HydrophobicContact CB-CD2 3.89Å; D834-W839 HydrophobicContact CB-CE3 4.25Å; D834-W839 HydrophobicContact CB-CG 4.38Å; D834-W839 HydrophobicContact CB-CH2 4.01Å; D834-W839 HydrophobicContact CB-CZ2 3.6Å; D834-W839 HydrophobicContact CB-CZ3 4.31Å; D834-W839 PolarHBondContact O-NE1 3.01Å
835	M	95.2	Very high	95.9	Very high	168 Å²	168	65.2 Å²	65.2	83%	0.828	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-74.3	-19	167.2	-59.1	-177.2	68.2	0	0	113	G832 R833	G832-M835 WeakPolarHBondContact O-CB 3.42Å; G832-M835 PolarHBondContact O-N 3.37Å; R833-M835 PolarHBondContact O-N 3.47Å
836	E	94.5	Very high	95.9	Very high	118 Å²	118	66.6 Å²	66.6	55%	0.551	35%	0.346	S	S	*	.	S	Bend	trans	-78.4	137.3	-176.3	-63.2	-168.6	144.8	0	0	112.8	R833 D834 S838 W839	R833-E836 WeakPolarHBondContact O-CB 3.45Å; R833-E836 PolarHBondContact O-N 3.07Å; D834-E836 VanDerWaalsContact C-N 3.32Å; E836-S838 PolarHBondContact O-N 2.65Å; E836-W839 VanDerWaalsContact O-CD1 3.3Å; E836-W839 PolarHBondContact O-N 2.88Å
837	P	94.7	Very high	95.8	Very high	123 Å²	123	66.5 Å²	66.5	80%	0.799	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	125.9	173.4	27.6	-34	0	0	0	110.1
838	S	94.4	Very high	95.8	Very high	68 Å²	68	65.7 Å²	65.7	48%	0.476	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	10.3	-176.8	-44.1	0	0	0	0	117.8	E836 K840 K841	E836-S838 PolarHBondContact O-N 2.65Å; S838-K840 VanDerWaalsContact C-N 3.26Å; S838-K840 PolarHBondContact O-N 2.92Å; S838-K840 VanDerWaalsContact O-N 3.11Å; S838-K841 VanDerWaalsContact O-CB 3.26Å; S838-K841 WeakPolarHBondContact O-CB 3.31Å; S838-K841 WeakPolarHBondContact O-CG 3.43Å; S838-K841 PolarHBondContact O-N 2.65Å; S838-K841 PolarHBondContact OG-NZ 2.85Å
839	W	97.2	Very high	95.8	Very high	31 Å²	31	74.5 Å²	74.5	12%	0.117	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.6	-45.1	-179.1	69.1	-94.5	0	0	0	114.5	E769 F825 A828 I829 R833 D834 E836 K841 S842 I843	E769-W839 HydrophobicContact CG-CH2 4.36Å; F825-W839 AromaticContact CD1-CH2 3.64Å; F825-W839 HydrophobicContact CD1-CH2 3.64Å; F825-W839 AromaticContact CD1-CZ3 3.73Å; F825-W839 HydrophobicContact CD1-CZ3 3.73Å; F825-W839 AromaticContact CE1-CH2 3.72Å; F825-W839 HydrophobicContact CE1-CH2 3.72Å; F825-W839 AromaticContact CE1-CZ3 3.91Å; F825-W839 HydrophobicContact CE1-CZ3 3.91Å; F825-W839 HydrophobicContact CG-CZ3 4.46Å; A828-W839 HydrophobicContact CB-CE3 3.69Å; A828-W839 HydrophobicContact CB-CZ3 3.81Å; I829-W839 HydrophobicContact CD1-CH2 4.13Å; I829-W839 HydrophobicContact CG1-CH2 3.98Å; I829-W839 HydrophobicContact CG1-CZ3 4.3Å; R833-W839 WeakPolarHBondContact O-CB 3.43Å; D834-W839 HydrophobicContact CB-CD2 3.89Å; D834-W839 HydrophobicContact CB-CE3 4.25Å; D834-W839 HydrophobicContact CB-CG 4.38Å; D834-W839 HydrophobicContact CB-CH2 4.01Å; D834-W839 HydrophobicContact CB-CZ2 3.6Å; D834-W839 HydrophobicContact CB-CZ3 4.31Å; D834-W839 PolarHBondContact O-NE1 3.01Å; E836-W839 VanDerWaalsContact O-CD1 3.3Å; E836-W839 PolarHBondContact O-N 2.88Å; W839-K841 PolarHBondContact O-N 2.68Å; W839-S842 PolarHBondContact O-N 2.92Å; W839-S842 PolarHBondContact O-OG 2.77Å; W839-I843 HydrophobicContact CE3-CD1 3.8Å; W839-I843 HydrophobicContact CZ3-CD1 3.62Å
840	K	96.9	Very high	95.7	Very high	59 Å²	59	76.4 Å²	76.4	26%	0.257	39%	0.389	S	S	.	.	H	α-helix	trans	-59.7	-17.2	179.1	-46.2	-171.3	-166.2	-163.4	0	114.2	E769 S838 S842 I843 Y844	E769-K840 IonicContact OE1-NZ 3.17Å; E769-K840 WeakPolarHBondContact OE2-CE 3.33Å; E769-K840 IonicContact OE2-NZ 3.96Å; E769-K840 PolarHBondContact OE2-NZ 3.23Å; S838-K840 VanDerWaalsContact C-N 3.26Å; S838-K840 PolarHBondContact O-N 2.92Å; S838-K840 VanDerWaalsContact O-N 3.11Å; K840-S842 VanDerWaalsContact C-N 3.34Å; K840-S842 PolarHBondContact O-N 2.83Å; K840-I843 PolarHBondContact O-N 3.48Å; K840-Y844 HydrophobicContact CB-CD2 4.44Å; K840-Y844 HydrophobicContact CB-CE1 3.92Å; K840-Y844 HydrophobicContact CB-CE2 3.82Å; K840-Y844 WeakPolarHBondContact CD-OH 3.49Å; K840-Y844 WeakPolarHBondContact O-CD1 3.37Å; K840-Y844 WeakPolarHBondContact O-CD2 3.27Å; K840-Y844 PolarHBondContact O-N 2.98Å
841	K	96.2	Very high	95.7	Very high	126 Å²	126	74.7 Å²	74.7	55%	0.548	38%	0.383	S	S	.	.	H	α-helix	trans	-69.8	-24	179.6	-65.7	-172.3	-167.9	147.5	0	113.6	S838 W839 K845	S838-K841 VanDerWaalsContact O-CB 3.26Å; S838-K841 WeakPolarHBondContact O-CB 3.31Å; S838-K841 WeakPolarHBondContact O-CG 3.43Å; S838-K841 PolarHBondContact O-N 2.65Å; S838-K841 PolarHBondContact OG-NZ 2.85Å; W839-K841 PolarHBondContact O-N 2.68Å; K841-K845 VanDerWaalsContact O-CG 3.31Å; K841-K845 WeakPolarHBondContact O-CG 3.03Å; K841-K845 PolarHBondContact O-N 3.02Å
842	S	95.2	Very high	95.7	Very high	54 Å²	54	74 Å²	74	38%	0.378	37%	0.374	S	S	.	.	H	α-helix	trans	-68.8	-51.7	169	53.8	0	0	0	0	109.5	W839 K840 Y844 K845 V846	W839-S842 PolarHBondContact O-N 2.92Å; W839-S842 PolarHBondContact O-OG 2.77Å; K840-S842 VanDerWaalsContact C-N 3.34Å; K840-S842 PolarHBondContact O-N 2.83Å; S842-Y844 PolarHBondContact O-N 3.43Å; S842-K845 CarbonylContact O-C 3.59Å; S842-K845 WeakPolarHBondContact O-CA 3.35Å; S842-K845 WeakPolarHBondContact O-CB 3.18Å; S842-K845 PolarHBondContact O-N 2.89Å; S842-V846 PolarHBondContact O-N 3.13Å; S842-V846 VanDerWaalsContact O-N 3.11Å
843	I	97.4	Very high	95.7	Very high	0 Å²	0	77.8 Å²	77.8	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-56.7	-48.5	-178.9	-47.4	-178.4	0	0	0	110.9	T821 E824 F825 A828 W839 K840 K845 V846 I847	T821-I843 HydrophobicContact CG2-CG2 4.27Å; E824-I843 HydrophobicContact CB-CB 4.39Å; E824-I843 HydrophobicContact CB-CD1 4.43Å; E824-I843 HydrophobicContact CB-CG1 4.11Å; E824-I843 HydrophobicContact CB-CG2 3.74Å; F825-I843 HydrophobicContact CD1-CD1 4.25Å; F825-I843 HydrophobicContact CD2-CD1 3.73Å; F825-I843 HydrophobicContact CD2-CG2 3.8Å; F825-I843 HydrophobicContact CE1-CD1 4.41Å; F825-I843 HydrophobicContact CE2-CB 4.4Å; F825-I843 HydrophobicContact CE2-CD1 3.93Å; F825-I843 HydrophobicContact CE2-CG2 3.62Å; F825-I843 HydrophobicContact CG-CD1 3.92Å; F825-I843 HydrophobicContact CZ-CD1 4.26Å; A828-I843 HydrophobicContact CB-CD1 4.15Å; W839-I843 HydrophobicContact CE3-CD1 3.8Å; W839-I843 HydrophobicContact CZ3-CD1 3.62Å; K840-I843 PolarHBondContact O-N 3.48Å; I843-K845 PolarHBondContact O-N 3.38Å; I843-V846 WeakPolarHBondContact O-CA 3.48Å; I843-V846 WeakPolarHBondContact O-CB 3.47Å; I843-V846 PolarHBondContact O-N 3.46Å; I843-I847 HydrophobicContact CG2-CD1 4.48Å; I843-I847 HydrophobicContact CG2-CG1 4.18Å; I843-I847 WeakPolarHBondContact O-CG1 3.4Å; I843-I847 PolarHBondContact O-N 2.88Å
844	Y	97.2	Very high	95.7	Very high	77 Å²	77	73.4 Å²	73.4	30%	0.302	38%	0.377	S	S	.	.	H	α-helix	trans	-59.3	-32.6	177.3	-59.8	-17.6	0	0	0	113	Y765 K840 S842 V846 A848	Y765-Y844 HydrophobicContact CD1-CD1 4.48Å; Y765-Y844 HydrophobicContact CD1-CE1 4.01Å; Y765-Y844 HydrophobicContact CD2-CD1 4.09Å; Y765-Y844 AromaticContact CD2-CE1 3.38Å; Y765-Y844 HydrophobicContact CD2-CE1 3.38Å; Y765-Y844 AromaticContact CE1-CD1 4Å; Y765-Y844 HydrophobicContact CE1-CD1 4Å; Y765-Y844 AromaticContact CE1-CE1 3.98Å; Y765-Y844 HydrophobicContact CE1-CE1 3.98Å; Y765-Y844 AromaticContact CE2-CD1 3.54Å; Y765-Y844 HydrophobicContact CE2-CD1 3.54Å; Y765-Y844 AromaticContact CE2-CE1 3.34Å; Y765-Y844 HydrophobicContact CE2-CE1 3.34Å; Y765-Y844 AromaticContact CG-CE1 3.75Å; Y765-Y844 HydrophobicContact CG-CE1 3.75Å; Y765-Y844 AromaticContact CZ-CD1 3.5Å; Y765-Y844 AromaticContact CZ-CE1 3.67Å; K840-Y844 HydrophobicContact CB-CD2 4.44Å; K840-Y844 HydrophobicContact CB-CE1 3.92Å; K840-Y844 HydrophobicContact CB-CE2 3.82Å; K840-Y844 WeakPolarHBondContact CD-OH 3.49Å; K840-Y844 WeakPolarHBondContact O-CD1 3.37Å; K840-Y844 WeakPolarHBondContact O-CD2 3.27Å; K840-Y844 PolarHBondContact O-N 2.98Å; S842-Y844 PolarHBondContact O-N 3.43Å; Y844-V846 VanDerWaalsContact C-N 3.34Å; Y844-A848 WeakPolarHBondContact O-CB 3.37Å; Y844-A848 PolarHBondContact O-N 2.89Å
845	K	96.3	Very high	95.5	Very high	151 Å²	151	73.4 Å²	73.4	66%	0.657	38%	0.378	S	S	*	.	H	α-helix	trans	-75.1	-19.1	172.9	-72.3	174.1	176.6	-174.9	0	113.4	K841 S842 I843 R849	K841-K845 VanDerWaalsContact O-CG 3.31Å; K841-K845 WeakPolarHBondContact O-CG 3.03Å; K841-K845 PolarHBondContact O-N 3.02Å; S842-K845 CarbonylContact O-C 3.59Å; S842-K845 WeakPolarHBondContact O-CA 3.35Å; S842-K845 WeakPolarHBondContact O-CB 3.18Å; S842-K845 PolarHBondContact O-N 2.89Å; I843-K845 PolarHBondContact O-N 3.38Å; K845-R849 PolarHBondContact O-NE 3Å; K845-R849 PolarHBondContact O-NH2 3.11Å
846	V	96.7	Very high	95.3	Very high	28 Å²	28	71 Å²	71	17%	0.17	37%	0.365	C	S	.	.	H	α-helix	trans	-76.6	-55.3	168.7	-177.5	0	0	0	0	108.8	E824 S842 I843 Y844 A848 R849 M850	E824-V846 HydrophobicContact CG-CB 4.48Å; E824-V846 HydrophobicContact CG-CG1 4.38Å; E824-V846 HydrophobicContact CG-CG2 4.34Å; S842-V846 PolarHBondContact O-N 3.13Å; S842-V846 VanDerWaalsContact O-N 3.11Å; I843-V846 WeakPolarHBondContact O-CA 3.48Å; I843-V846 WeakPolarHBondContact O-CB 3.47Å; I843-V846 PolarHBondContact O-N 3.46Å; Y844-V846 VanDerWaalsContact C-N 3.34Å; V846-A848 VanDerWaalsContact C-N 3.34Å; V846-A848 PolarHBondContact O-N 3.33Å; V846-R849 WeakPolarHBondContact O-CB 3.18Å; V846-R849 PolarHBondContact O-N 3.38Å; V846-M850 HydrophobicContact CG1-SD 4.2Å
847	I	96.5	Very high	95	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-66.1	-36.5	-171.1	-50.4	-37.7	0	0	0	111.9	R729 Y765 V817 T821 I843 R849 M850	R729-I847 HydrophobicContact CG-CG2 4.47Å; Y765-I847 HydrophobicContact CE1-CG1 4.29Å; V817-I847 HydrophobicContact CG1-CG2 3.98Å; T821-I847 HydrophobicContact CG2-CD1 3.95Å; T821-I847 HydrophobicContact CG2-CG1 3.91Å; T821-I847 WeakPolarHBondContact OG1-CD1 3.41Å; T821-I847 WeakPolarHBondContact OG1-CG1 3.43Å; I843-I847 HydrophobicContact CG2-CD1 4.48Å; I843-I847 HydrophobicContact CG2-CG1 4.18Å; I843-I847 WeakPolarHBondContact O-CG1 3.4Å; I843-I847 PolarHBondContact O-N 2.88Å; I847-R849 PolarHBondContact O-N 3.21Å; I847-R849 VanDerWaalsContact O-N 3.1Å; I847-M850 HydrophobicContact CD1-SD 4.28Å; I847-M850 PolarHBondContact O-N 3.43Å
848	A	95.8	Very high	94.9	Very high	46 Å²	46	64.4 Å²	64.4	38%	0.38	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-7.2	174.5	0	0	0	0	0	114.8	Y730 Y844 V846	Y730-A848 HydrophobicContact CD2-CB 3.71Å; Y730-A848 HydrophobicContact CE2-CB 3.86Å; Y730-A848 HydrophobicContact CG-CB 4.07Å; Y844-A848 WeakPolarHBondContact O-CB 3.37Å; Y844-A848 PolarHBondContact O-N 2.89Å; V846-A848 VanDerWaalsContact C-N 3.34Å; V846-A848 PolarHBondContact O-N 3.33Å
849	R	96.1	Very high	94.7	Very high	187 Å²	187	64.2 Å²	64.2	71%	0.706	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	0.2	171.1	-71.1	-179.1	-71	124.6	-2.3	113.4	K845 V846 I847	K845-R849 PolarHBondContact O-NE 3Å; K845-R849 PolarHBondContact O-NH2 3.11Å; V846-R849 WeakPolarHBondContact O-CB 3.18Å; V846-R849 PolarHBondContact O-N 3.38Å; I847-R849 PolarHBondContact O-N 3.21Å; I847-R849 VanDerWaalsContact O-N 3.1Å
850	M	95.7	Very high	94.1	Very high	58 Å²	58	66 Å²	66	29%	0.286	33%	0.325	S	S	.	.	S	Bend	trans	-110.4	14.5	180	-53.2	-179.6	71.1	0	0	112.5	R729 V817 A820 V846 I847	R729-M850 PolarHBondContact NH2-O 3.04Å; V817-M850 HydrophobicContact CG1-CB 4.47Å; V817-M850 HydrophobicContact CG2-CB 3.96Å; V817-M850 HydrophobicContact CG2-CE 4.18Å; A820-M850 HydrophobicContact CB-CE 3.76Å; A820-M850 HydrophobicContact CB-SD 4.02Å; V846-M850 HydrophobicContact CG1-SD 4.2Å; I847-M850 HydrophobicContact CD1-SD 4.28Å; I847-M850 PolarHBondContact O-N 3.43Å
851	D	95.3	Very high	92.9	Very high	43 Å²	43	67.2 Å²	67.2	23%	0.23	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-74.2	122.3	175.9	-86.3	14.7	0	0	0	111.1	T728 R729 Y730	T728-D851 WeakPolarHBondContact CA-OD2 3.37Å; T728-D851 WeakPolarHBondContact CB-OD2 3.29Å; T728-D851 PolarHBondContact OG1-OD2 2.57Å; R729-D851 IonicContact CZ-OD1 3.41Å; R729-D851 PolarHBondContact N-OD1 2.99Å; R729-D851 PolarHBondContact N-OD2 2.83Å; R729-D851 IonicContact NE-OD1 3.3Å; R729-D851 PolarHBondContact NE-OD1 3.2Å; R729-D851 VanDerWaalsContact NH2-CA 3.34Å; R729-D851 IonicContact NH2-OD1 3.86Å; R729-D851 PolarHBondContact NH2-OD1 3Å; Y730-D851 PolarHBondContact N-OD2 2.89Å
852	D	94	Very high	91.6	Very high	50 Å²	50	65.2 Å²	65.2	27%	0.267	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-82.2	154.2	179	-65.1	-51.5	0	0	0	110.6	Y727 S813 I854	Y727-D852 HydrophobicContact CD1-CB 4.37Å; Y727-D852 PolarHBondContact O-N 2.95Å; S813-D852 WeakPolarHBondContact CB-OD2 3.42Å; S813-D852 PolarHBondContact OG-OD2 3.02Å; D852-I854 PolarHBondContact O-N 3.27Å
853	P	93.9	Very high	90.4	Very high	115 Å²	115	63.2 Å²	63.2	75%	0.747	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-59.2	135.6	164.3	27.4	-34.3	0	0	0	110.2
854	I	94	Very high	89.1	Confident	8 Å²	8	63.9 Å²	63.9	4%	0.041	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-71.7	136.5	174.2	-45.4	-179.6	0	0	0	108	M724 T728 L735 Y739 D852 F858	M724-I854 HydrophobicContact CE-CD1 3.44Å; M724-I854 VanDerWaalsContact CE-CD1 3.44Å; M724-I854 HydrophobicContact CG-CD1 4.47Å; M724-I854 HydrophobicContact CG-CG2 4.36Å; T728-I854 HydrophobicContact CG2-CD1 3.6Å; T728-I854 HydrophobicContact CG2-CG1 3.82Å; L735-I854 HydrophobicContact CD2-CD1 4.03Å; L735-I854 HydrophobicContact CG-CD1 4.27Å; Y739-I854 HydrophobicContact CD1-CB 4.26Å; Y739-I854 HydrophobicContact CD1-CD1 4.47Å; Y739-I854 HydrophobicContact CD1-CG2 4Å; Y739-I854 HydrophobicContact CD2-CD1 4.07Å; Y739-I854 HydrophobicContact CE1-CB 3.74Å; Y739-I854 HydrophobicContact CE1-CG2 3.8Å; Y739-I854 HydrophobicContact CE2-CB 4.29Å; Y739-I854 HydrophobicContact CE2-CD1 4.27Å; Y739-I854 HydrophobicContact CG-CD1 4.19Å; Y739-I854 PolarHBondContact OH-O 3.06Å; D852-I854 PolarHBondContact O-N 3.27Å; I854-F858 HydrophobicContact CG2-CB 3.84Å; I854-F858 HydrophobicContact CG2-CD1 4.35Å; I854-F858 HydrophobicContact CG2-CD2 3.55Å; I854-F858 HydrophobicContact CG2-CE2 4.15Å; I854-F858 HydrophobicContact CG2-CG 3.67Å
855	P	92.1	Very high	87.5	Confident	31 Å²	31	66.1 Å²	66.1	20%	0.201	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-61.9	140.3	175.3	-25.3	34.6	0	0	0	112.7	Y727 Y857 F858	Y727-P855 HydrophobicContact CD1-CG 4.13Å; Y727-P855 VanDerWaalsContact CE1-CD 3.49Å; Y727-P855 HydrophobicContact CE1-CG 3.52Å; Y727-P855 HydrophobicContact CE2-CG 4.14Å; P855-Y857 HydrophobicContact CB-CD1 3.6Å; P855-Y857 HydrophobicContact CB-CD2 4.44Å; P855-Y857 HydrophobicContact CB-CE1 3.28Å; P855-Y857 HydrophobicContact CB-CE2 4.16Å; P855-Y857 HydrophobicContact CB-CG 4.18Å; P855-Y857 HydrophobicContact CG-CE1 3.9Å; P855-Y857 PolarHBondContact O-N 2.91Å; P855-Y857 VanDerWaalsContact O-N 3.1Å; P855-F858 HydrophobicContact CB-CD2 4.22Å; P855-F858 HydrophobicContact CG-CD2 4.34Å; P855-F858 HydrophobicContact CG-CE2 4.28Å; P855-F858 WeakPolarHBondContact O-CB 3.47Å; P855-F858 WeakPolarHBondContact O-CD2 3.1Å; P855-F858 PolarHBondContact O-N 3.5Å
856	E	91.4	Very high	85.9	Confident	119 Å²	119	64.3 Å²	64.3	56%	0.556	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-60	-27.5	-173.9	-167	67.6	178.3	0	0	113.4	F858 K859	E856-F858 PolarHBondContact O-N 3.16Å; E856-F858 VanDerWaalsContact O-N 3.09Å; E856-K859 VanDerWaalsContact CD-CE 3.5Å; E856-K859 WeakPolarHBondContact O-CB 3.39Å; E856-K859 PolarHBondContact O-N 3.15Å; E856-K859 WeakPolarHBondContact OE1-CD 3.34Å; E856-K859 WeakPolarHBondContact OE1-CE 3.46Å; E856-K859 IonicContact OE1-NZ 3.1Å; E856-K859 PolarHBondContact OE1-NZ 3.32Å; E856-K859 WeakPolarHBondContact OE2-CE 3.44Å; E856-K859 IonicContact OE2-NZ 2.68Å; E856-K859 PolarHBondContact OE2-NZ 3.07Å
857	Y	88.9	Confident	84.3	Confident	102 Å²	102	65.1 Å²	65.1	40%	0.4	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-59.7	-20.3	175.3	64.4	-114.9	0	0	0	113.7	Y727 P855 K859 T860 F863	Y727-Y857 PolarHBondContact OH-OH 3.48Å; P855-Y857 HydrophobicContact CB-CD1 3.6Å; P855-Y857 HydrophobicContact CB-CD2 4.44Å; P855-Y857 HydrophobicContact CB-CE1 3.28Å; P855-Y857 HydrophobicContact CB-CE2 4.16Å; P855-Y857 HydrophobicContact CB-CG 4.18Å; P855-Y857 HydrophobicContact CG-CE1 3.9Å; P855-Y857 PolarHBondContact O-N 2.91Å; P855-Y857 VanDerWaalsContact O-N 3.1Å; Y857-K859 PolarHBondContact O-N 3.46Å; Y857-T860 PolarHBondContact O-N 3.2Å; Y857-T860 PolarHBondContact O-OG1 2.96Å; Y857-T860 VanDerWaalsContact O-OG1 3.09Å; Y857-F863 AromaticContact CD2-CD2 3.67Å; Y857-F863 HydrophobicContact CD2-CD2 3.67Å; Y857-F863 AromaticContact CD2-CE2 3.38Å; Y857-F863 HydrophobicContact CD2-CE2 3.38Å; Y857-F863 HydrophobicContact CD2-CZ 4.19Å; Y857-F863 HydrophobicContact CE2-CD2 4.2Å; Y857-F863 AromaticContact CE2-CE2 3.42Å; Y857-F863 HydrophobicContact CE2-CE2 3.42Å; Y857-F863 VanDerWaalsContact CE2-CE2 3.42Å; Y857-F863 AromaticContact CE2-CZ 3.94Å; Y857-F863 HydrophobicContact CE2-CZ 3.94Å
858	F	91.2	Very high	82.3	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-65.4	-14.8	172.2	-84.5	-94.4	0	0	0	113	K720 L723 M724 Y727 Y739 I854 P855 E856 F863	K720-F858 WeakPolarHBondContact CE-O 3.49Å; K720-F858 PolarHBondContact NZ-O 3.03Å; L723-F858 HydrophobicContact CB-CE1 3.77Å; L723-F858 HydrophobicContact CB-CZ 4.04Å; M724-F858 HydrophobicContact CB-CE1 4.36Å; M724-F858 HydrophobicContact CG-CD1 3.41Å; M724-F858 VanDerWaalsContact CG-CD1 3.41Å; M724-F858 HydrophobicContact CG-CE1 3.55Å; M724-F858 HydrophobicContact CG-CG 4.24Å; M724-F858 HydrophobicContact CG-CZ 4.47Å; M724-F858 HydrophobicContact SD-CD1 4.42Å; Y727-F858 HydrophobicContact CD2-CE2 4.02Å; Y727-F858 HydrophobicContact CD2-CZ 4.19Å; Y727-F858 AromaticContact CE2-CE2 3.54Å; Y727-F858 HydrophobicContact CE2-CE2 3.54Å; Y727-F858 AromaticContact CE2-CZ 3.82Å; Y727-F858 HydrophobicContact CE2-CZ 3.82Å; Y739-F858 HydrophobicContact CD1-CB 3.67Å; Y739-F858 HydrophobicContact CE1-CB 4.11Å; I854-F858 HydrophobicContact CG2-CB 3.84Å; I854-F858 HydrophobicContact CG2-CD1 4.35Å; I854-F858 HydrophobicContact CG2-CD2 3.55Å; I854-F858 HydrophobicContact CG2-CE2 4.15Å; I854-F858 HydrophobicContact CG2-CG 3.67Å; P855-F858 HydrophobicContact CB-CD2 4.22Å; P855-F858 HydrophobicContact CG-CD2 4.34Å; P855-F858 HydrophobicContact CG-CE2 4.28Å; P855-F858 WeakPolarHBondContact O-CB 3.47Å; P855-F858 WeakPolarHBondContact O-CD2 3.1Å; P855-F858 PolarHBondContact O-N 3.5Å; E856-F858 PolarHBondContact O-N 3.16Å; E856-F858 VanDerWaalsContact O-N 3.09Å; F858-F863 HydrophobicContact CD1-CD1 4.12Å; F858-F863 AromaticContact CD1-CE1 3.49Å; F858-F863 HydrophobicContact CD1-CE1 3.49Å; F858-F863 VanDerWaalsContact CD1-CE1 3.49Å; F858-F863 AromaticContact CD1-CZ 3.89Å; F858-F863 HydrophobicContact CD1-CZ 3.89Å; F858-F863 HydrophobicContact CD2-CZ 4.44Å; F858-F863 AromaticContact CE1-CE1 3.49Å; F858-F863 HydrophobicContact CE1-CE1 3.49Å; F858-F863 VanDerWaalsContact CE1-CE1 3.49Å; F858-F863 AromaticContact CE1-CZ 3.65Å; F858-F863 HydrophobicContact CE1-CZ 3.65Å; F858-F863 HydrophobicContact CE2-CZ 4.23Å; F858-F863 HydrophobicContact CG-CE1 4.19Å; F858-F863 HydrophobicContact CG-CZ 4.29Å; F858-F863 HydrophobicContact CZ-CE1 4.18Å; F858-F863 AromaticContact CZ-CZ 3.84Å; F858-F863 HydrophobicContact CZ-CZ 3.84Å
859	K	91	Very high	81.6	Confident	63 Å²	63	73.9 Å²	73.9	27%	0.274	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-81.7	-21.8	176.8	-59.1	-168.7	-173.3	159.8	0	113.6	A738 Y739 P741 E856 Y857	A738-K859 VanDerWaalsContact O-CD 3.31Å; A738-K859 WeakPolarHBondContact O-CD 3.47Å; A738-K859 WeakPolarHBondContact O-CE 3.49Å; A738-K859 WeakPolarHBondContact O-CG 3.31Å; Y739-K859 HydrophobicContact CD1-CD 4.5Å; Y739-K859 HydrophobicContact CD1-CG 3.54Å; Y739-K859 HydrophobicContact CE1-CD 4.35Å; Y739-K859 HydrophobicContact CE1-CG 3.66Å; Y739-K859 HydrophobicContact CG-CG 4.18Å; P741-K859 WeakPolarHBondContact CG-O 3.26Å; E856-K859 VanDerWaalsContact CD-CE 3.5Å; E856-K859 WeakPolarHBondContact O-CB 3.39Å; E856-K859 PolarHBondContact O-N 3.15Å; E856-K859 WeakPolarHBondContact OE1-CD 3.34Å; E856-K859 WeakPolarHBondContact OE1-CE 3.46Å; E856-K859 IonicContact OE1-NZ 3.1Å; E856-K859 PolarHBondContact OE1-NZ 3.32Å; E856-K859 WeakPolarHBondContact OE2-CE 3.44Å; E856-K859 IonicContact OE2-NZ 2.68Å; E856-K859 PolarHBondContact OE2-NZ 3.07Å; Y857-K859 PolarHBondContact O-N 3.46Å
860	T	85	Confident	80.8	Confident	68 Å²	68	67.9 Å²	67.9	42%	0.417	36%	0.357	S	S	.	.	S	Bend	trans	-67.5	142.4	-178.3	65.2	0	0	0	0	110.2	Y857 F863	Y857-T860 PolarHBondContact O-N 3.2Å; Y857-T860 PolarHBondContact O-OG1 2.96Å; Y857-T860 VanDerWaalsContact O-OG1 3.09Å; T860-F863 WeakPolarHBondContact O-CB 3.48Å; T860-F863 PolarHBondContact O-N 2.88Å
861	P	70.5	Confident	80	Confident	85 Å²	85	68.5 Å²	68.5	55%	0.552	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-64.5	-49.1	179.3	19	-25.5	0	0	0	111	F863	P861-F863 PolarHBondContact O-N 3.48Å
862	N	68.5	Low	79.1	Confident	84 Å²	84	70 Å²	70	45%	0.449	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-70.9	8	-179.7	-49.3	65.9	0	0	0	114.2	L864 E865 T866	N862-L864 VanDerWaalsContact C-N 3.25Å; N862-L864 PolarHBondContact O-N 2.94Å; N862-E865 HydrophobicContact CB-CB 4.45Å; N862-E865 WeakPolarHBondContact CB-OE2 3.27Å; N862-E865 VanDerWaalsContact CG-OE2 3.28Å; N862-E865 PolarHBondContact ND2-OE2 2.86Å; N862-E865 PolarHBondContact O-N 3.39Å; N862-E865 VanDerWaalsContact O-N 3.13Å; N862-T866 WeakPolarHBondContact O-CB 3.28Å; N862-T866 PolarHBondContact O-N 3.4Å; N862-T866 PolarHBondContact O-OG1 3.42Å
863	F	71.8	Confident	78.2	Confident	13 Å²	13	71.3 Å²	71.3	6%	0.057	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-53	-40.7	-178.8	167.1	-117.8	0	0	0	113	K720 L723 Y857 F858 T860 P861 L867	K720-F863 HydrophobicContact CG-CD1 4.4Å; L723-F863 HydrophobicContact CD1-CE1 4.25Å; L723-F863 HydrophobicContact CD1-CZ 4.32Å; Y857-F863 AromaticContact CD2-CD2 3.67Å; Y857-F863 HydrophobicContact CD2-CD2 3.67Å; Y857-F863 AromaticContact CD2-CE2 3.38Å; Y857-F863 HydrophobicContact CD2-CE2 3.38Å; Y857-F863 HydrophobicContact CD2-CZ 4.19Å; Y857-F863 HydrophobicContact CE2-CD2 4.2Å; Y857-F863 AromaticContact CE2-CE2 3.42Å; Y857-F863 HydrophobicContact CE2-CE2 3.42Å; Y857-F863 VanDerWaalsContact CE2-CE2 3.42Å; Y857-F863 AromaticContact CE2-CZ 3.94Å; Y857-F863 HydrophobicContact CE2-CZ 3.94Å; F858-F863 HydrophobicContact CD1-CD1 4.12Å; F858-F863 AromaticContact CD1-CE1 3.49Å; F858-F863 HydrophobicContact CD1-CE1 3.49Å; F858-F863 VanDerWaalsContact CD1-CE1 3.49Å; F858-F863 AromaticContact CD1-CZ 3.89Å; F858-F863 HydrophobicContact CD1-CZ 3.89Å; F858-F863 HydrophobicContact CD2-CZ 4.44Å; F858-F863 AromaticContact CE1-CE1 3.49Å; F858-F863 HydrophobicContact CE1-CE1 3.49Å; F858-F863 VanDerWaalsContact CE1-CE1 3.49Å; F858-F863 AromaticContact CE1-CZ 3.65Å; F858-F863 HydrophobicContact CE1-CZ 3.65Å; F858-F863 HydrophobicContact CE2-CZ 4.23Å; F858-F863 HydrophobicContact CG-CE1 4.19Å; F858-F863 HydrophobicContact CG-CZ 4.29Å; F858-F863 HydrophobicContact CZ-CE1 4.18Å; F858-F863 AromaticContact CZ-CZ 3.84Å; F858-F863 HydrophobicContact CZ-CZ 3.84Å; T860-F863 WeakPolarHBondContact O-CB 3.48Å; T860-F863 PolarHBondContact O-N 2.88Å; P861-F863 PolarHBondContact O-N 3.48Å; F863-L867 HydrophobicContact CD2-CD1 4.24Å; F863-L867 HydrophobicContact CE1-CD1 4.14Å; F863-L867 HydrophobicContact CE2-CD1 3.6Å; F863-L867 HydrophobicContact CE2-CG 4.41Å; F863-L867 HydrophobicContact CZ-CD1 3.55Å; F863-L867 WeakPolarHBondContact O-CG 3.25Å
864	L	68.4	Low	77.1	Confident	13 Å²	13	68.3 Å²	68.3	7%	0.068	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-31.3	178.9	-72.3	-177.9	0	0	0	113.3	M716 R719 K720 L723 N862 T866 L867 E868	M716-L864 HydrophobicContact CB-CD1 3.78Å; M716-L864 HydrophobicContact CE-CB 3.83Å; M716-L864 HydrophobicContact CE-CD1 4.07Å; M716-L864 HydrophobicContact CG-CD1 4.47Å; M716-L864 WeakPolarHBondContact O-CD1 3.43Å; M716-L864 HydrophobicContact SD-CD1 4.12Å; R719-L864 HydrophobicContact CB-CD1 4.21Å; K720-L864 HydrophobicContact CB-CD1 3.99Å; K720-L864 HydrophobicContact CB-CG 4.42Å; L723-L864 HydrophobicContact CD1-CD2 4.02Å; N862-L864 VanDerWaalsContact C-N 3.25Å; N862-L864 PolarHBondContact O-N 2.94Å; L864-T866 VanDerWaalsContact C-N 3.31Å; L864-L867 HydrophobicContact CD2-CD1 4.33Å; L864-L867 WeakPolarHBondContact O-CB 3.38Å; L864-L867 PolarHBondContact O-N 3.16Å; L864-L867 VanDerWaalsContact O-N 3.11Å; L864-E868 PolarHBondContact O-N 3.45Å
865	E	63.8	Low	75.9	Confident	124 Å²	124	72.6 Å²	72.6	58%	0.579	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-67.7	-35.2	175.3	-62.5	166.7	173.9	0	0	110.8	N862 L867 E868	N862-E865 HydrophobicContact CB-CB 4.45Å; N862-E865 WeakPolarHBondContact CB-OE2 3.27Å; N862-E865 VanDerWaalsContact CG-OE2 3.28Å; N862-E865 PolarHBondContact ND2-OE2 2.86Å; N862-E865 PolarHBondContact O-N 3.39Å; N862-E865 VanDerWaalsContact O-N 3.13Å; E865-L867 PolarHBondContact O-N 3.11Å; E865-L867 VanDerWaalsContact O-N 3.14Å; E865-E868 PolarHBondContact O-N 2.96Å
866	T	62.6	Low	74.7	Confident	114 Å²	114	75.8 Å²	75.8	70%	0.699	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-70.9	-1.4	173.1	-43	0	0	0	0	112.5	N862 L864	N862-T866 WeakPolarHBondContact O-CB 3.28Å; N862-T866 PolarHBondContact O-N 3.4Å; N862-T866 PolarHBondContact O-OG1 3.42Å; L864-T866 VanDerWaalsContact C-N 3.31Å
867	L	63.4	Low	73.3	Confident	44 Å²	44	72.3 Å²	72.3	23%	0.23	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-115.8	-11.4	178.3	-72.7	174.5	0	0	0	113.5	L723 H807 V808 F863 L864 E865	L723-L867 HydrophobicContact CD1-CD1 4.2Å; H807-L867 HydrophobicContact CB-CB 4.24Å; H807-L867 HydrophobicContact CB-CD2 4.3Å; H807-L867 PolarHBondContact CE1-O 3.24Å; H807-L867 VanDerWaalsContact CG-O 3.26Å; H807-L867 PolarHBondContact ND1-O 3.08Å; V808-L867 HydrophobicContact CG2-CD1 3.67Å; V808-L867 HydrophobicContact CG2-CD2 3.9Å; V808-L867 HydrophobicContact CG2-CG 4.48Å; F863-L867 HydrophobicContact CD2-CD1 4.24Å; F863-L867 HydrophobicContact CE1-CD1 4.14Å; F863-L867 HydrophobicContact CE2-CD1 3.6Å; F863-L867 HydrophobicContact CE2-CG 4.41Å; F863-L867 HydrophobicContact CZ-CD1 3.55Å; F863-L867 WeakPolarHBondContact O-CG 3.25Å; L864-L867 HydrophobicContact CD2-CD1 4.33Å; L864-L867 WeakPolarHBondContact O-CB 3.38Å; L864-L867 PolarHBondContact O-N 3.16Å; L864-L867 VanDerWaalsContact O-N 3.11Å; E865-L867 PolarHBondContact O-N 3.11Å; E865-L867 VanDerWaalsContact O-N 3.14Å
868	E	54.3	Low	71.9	Confident	157 Å²	157	69.5 Å²	69.5	73%	0.734	37%	0.369	S	S	*	.			trans	-92	0	177.4	-63.5	-158.6	114.8	0	0	112.9	M716 R719 L864 E865	M716-E868 VanDerWaalsContact CE-OE2 3.27Å; M716-E868 WeakPolarHBondContact CE-OE2 3.49Å; R719-E868 IonicContact CZ-OE1 2.78Å; R719-E868 IonicContact NH1-OE1 2.65Å; R719-E868 PolarHBondContact NH1-OE1 3.26Å; R719-E868 IonicContact NH2-OE1 2.69Å; R719-E868 PolarHBondContact NH2-OE1 3.44Å; R719-E868 IonicContact NH2-OE2 2.66Å; L864-E868 PolarHBondContact O-N 3.45Å; E865-E868 PolarHBondContact O-N 2.96Å

Retrieved 868 of 868 residues in 453.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).