C4Q5K0_SCHMA Loading...

Long-chain-fatty-acid--CoA ligase

AlphaFold DB , UniProt , Accession C4Q5K0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 819 aa.

						>C4Q5K0_SCHMA|C4Q5K0
MPRQAELICPEDQTPIRGTCKPAGAESYVDCSSLKEVTKKSKHHSKKSSQTTHSNSKEKPLKTKHAKNRNESSVIISPKLSSDVSQSNSADKEGFEKEIILDKSKREHVKKKRKHSKGETRHEKRSKHDEANSEVNVDQSVIKESVRKHKHRDKPHGSSKMSMVDGITHRSTKSVICGDSCRQDAPTSVKEQSFEVIPRPYTYEPVPGTPSSASRCSSHISRSSSCSQSPIRSGKHEMHRAHDPRFHDKLHRQRYEQNSRSPSMHLRHDHKPDLPTRATDSGHGTNPEEKYNSLKRTQSSVSSPSKSKRYNSATLSYGYRQSTQRHHLSPSHRSHSRHHGPHRERSRSSSERYESRRTSTYRTSDKQHIHSKTYLAKTKPRYHNPDDNPDLHEISYSKNYERRHIRDSNSTKRHGSGIHRRENIESLSPSPRISKHFRENYEPQHHSTRQQVNNLPKSQSDIHPPLLPKRDRRSTNEVHDSSSPSRKSTNSIPVCIESAHHPSSSPSHPPCLLPKDKDRKLQTSHALCELLDGLKCEDVSDTELHLILPPSMINTLSSDTSLGCNNELTCKAELSVKKNRDSTYNSNDNIDSNNNANSNHLAAEKDESTYQNRLNNNINLDSLEALSTQIRQHMTGPENWDINDLADPIELGEYSENTTDQANSDLLNSEKSNDSLFTPWQELIESAGQKLSLDANKSDEQDYVQCVGTFIAGIGHQDIIPLKRRANGIDVLRRTGVSRIYFDSDLLRHLSTNTSSNEQSGEINLCQTVEFPDTWAKANCGNSLTGSGILNQLSKLVLPLSRKTDGYLRQNLLKIVECT
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.3	Very low	39.4	Very low	235 Å²	235	160.5 Å²	160.5	100%	1.158	84%	0.839	S	S	*	*				0	125.7	0	-72	-106.1	64.7	0	0	107.8
2	P	41	Very low	39.5	Very low	107 Å²	107	158.4 Å²	158.4	70%	0.695	83%	0.829	S	S	*	*			trans	-111.4	146	-172.4	38.1	-30.3	0	0	0	115
3	R	42.2	Very low	39.5	Very low	245 Å²	245	158.2 Å²	158.2	93%	0.925	82%	0.821	S	S	*	*			trans	-152	119.6	148.5	-65.3	-169.2	-179.7	178.6	-1.1	103.8
4	Q	38.6	Very low	39.6	Very low	182 Å²	182	155.9 Å²	155.9	85%	0.85	82%	0.817	S	S	*	*			cis	74.4	113.9	31.5	-117.5	-173.1	-0.3	0	0	114.9
5	A	36.6	Very low	39.6	Very low	91 Å²	91	153.4 Å²	153.4	75%	0.752	81%	0.814	S	S	*	*			trans	60.5	127.4	159.7	0	0	0	0	0	120.8
6	E	45.4	Very low	39.6	Very low	182 Å²	182	153.6 Å²	153.6	85%	0.85	81%	0.814	S	S	*	*				-156.1	158	112.4	-116.2	168.4	-163.5	0	0	111.3
7	L	36.9	Very low	39.5	Very low	155 Å²	155	159.1 Å²	159.1	81%	0.812	82%	0.821	S	S	*	*			trans	-120.1	132.4	175.8	-72.1	80.9	0	0	0	109.7
8	I	40	Very low	39.5	Very low	145 Å²	145	153.8 Å²	153.8	74%	0.744	81%	0.811	S	S	*	*			trans	-143	102.1	155.5	-69.6	96.6	0	0	0	104.5
9	C	35.1	Very low	39.4	Very low	113 Å²	113	153 Å²	153	76%	0.764	81%	0.813	S	S	*	*				70.8	117.5	81.6	-76.5	0	0	0	0	114
10	P	40.1	Very low	39	Very low	123 Å²	123	151.3 Å²	151.3	80%	0.799	81%	0.813	S	S	*	*			trans	-105.4	125	177.4	35.8	-26.8	0	0	0	112.6
11	E	37.4	Very low	38.9	Very low	188 Å²	188	153.5 Å²	153.5	88%	0.879	82%	0.815	S	S	*	*			trans	-162.4	136.5	161.3	-122.6	170.3	139.4	0	0	111.9
12	D	40.3	Very low	38.7	Very low	135 Å²	135	148.5 Å²	148.5	72%	0.722	80%	0.8	S	S	*	*			trans	-160.2	106.7	139.8	-112.2	-10.3	0	0	0	111.1
13	Q	39	Very low	38.6	Very low	156 Å²	156	148.8 Å²	148.8	73%	0.729	81%	0.811	S	S	*	*				53.5	131.6	124.1	-62.7	-171.1	70.3	0	0	120.7
14	T	40.8	Very low	38.4	Very low	125 Å²	125	140.4 Å²	140.4	77%	0.767	80%	0.802	S	S	*	*			cis	-155.8	159.7	-4.3	22.7	0	0	0	0	112
15	P	39.9	Very low	38.2	Very low	119 Å²	119	135.9 Å²	135.9	77%	0.773	80%	0.795	S	S	*	*			trans	-113.2	166.8	-178.6	41.4	-33.6	0	0	0	115.3
16	I	40	Very low	38.3	Very low	157 Å²	157	140.6 Å²	140.6	81%	0.805	80%	0.802	S	S	*	*			trans	-139.7	116.4	170.6	-59	-177.3	0	0	0	112.8
17	R	38.5	Very low	37.9	Very low	247 Å²	247	137 Å²	137	93%	0.932	80%	0.797	S	S	*	*			trans	50.2	131.5	158.2	-65.5	175.9	167.3	-175.8	-4.8	120.5
18	G	39.4	Very low	37.7	Very low	63 Å²	63	139.6 Å²	139.6	65%	0.649	80%	0.797	S	S	*	*			cis	153.5	148.9	-13	0	0	0	0	0	115.9
19	T	37	Very low	37.6	Very low	139 Å²	139	138.4 Å²	138.4	85%	0.853	80%	0.796	S	S	*	*			trans	58.7	143	154.8	61.4	0	0	0	0	120.6
20	C	30.6	Very low	37.5	Very low	119 Å²	119	139 Å²	139	80%	0.804	79%	0.792	S	S	*	*			cis	-170.1	178.4	-15.1	-94.4	0	0	0	0	106.4
21	K	38.1	Very low	36.9	Very low	198 Å²	198	137.7 Å²	137.7	86%	0.861	79%	0.785	S	S	*	*			cis	-149.7	166.5	15.3	-56.7	169.4	178.8	176.4	0	110
22	P	36.3	Very low	36.7	Very low	130 Å²	130	133.9 Å²	133.9	84%	0.844	78%	0.779	S	S	*	*			trans	-111.2	153.4	170.5	39	-31.2	0	0	0	115.9
23	A	38.1	Very low	36.5	Very low	112 Å²	112	131.8 Å²	131.8	93%	0.926	77%	0.774	S	S	*	*			trans	-178.4	156.8	159.8	0	0	0	0	0	107.9
24	G	37.2	Very low	36.1	Very low	70 Å²	70	131.1 Å²	131.1	72%	0.722	78%	0.775	S	S	*	*			cis	-178.6	127	-9.4	0	0	0	0	0	107
25	A	35.3	Very low	35.9	Very low	86 Å²	86	133 Å²	133	71%	0.711	77%	0.773	S	S	*	*				92.6	137.4	98.4	0	0	0	0	0	115
26	E	38	Very low	35.8	Very low	191 Å²	191	134.1 Å²	134.1	89%	0.893	77%	0.768	S	S	*	*			trans	64.5	145.4	168.9	-65.9	150.7	-127.9	0	0	117.9
27	S	38.4	Very low	35.6	Very low	106 Å²	106	132.3 Å²	132.3	74%	0.741	76%	0.764	S	S	*	*			cis	-150.1	137.3	-7.5	52.3	0	0	0	0	107.8
28	Y	31.6	Very low	35.5	Very low	209 Å²	209	126.4 Å²	126.4	82%	0.82	76%	0.755	S	S	*	*				64.5	155.5	74.6	-138.1	-91.6	0	0	0	117
29	V	38.6	Very low	35.4	Very low	121 Å²	121	132.3 Å²	132.3	73%	0.733	76%	0.763	S	S	*	*			trans	85.5	105.3	-172.6	-174.4	0	0	0	0	112.6
30	D	33.4	Very low	35.4	Very low	126 Å²	126	134.8 Å²	134.8	67%	0.674	76%	0.762	S	S	*	*				67.3	146.4	74.5	-94.2	-23	0	0	0	114.5
31	C	27.5	Very low	35.8	Very low	95 Å²	95	134.2 Å²	134.2	64%	0.642	76%	0.759	S	S	*	*			cis	-167.2	162.3	-18.5	-151.8	0	0	0	0	108.3
32	S	32.8	Very low	35.8	Very low	108 Å²	108	133 Å²	133	76%	0.755	75%	0.754	S	S	*	*			trans	64.6	162.4	157	-70.2	0	0	0	0	117.5
33	S	35.2	Very low	35.9	Very low	90 Å²	90	132.8 Å²	132.8	63%	0.629	74%	0.742	S	S	*	*			cis	-169.8	161	-22.9	56	0	0	0	0	111.1
34	L	31.6	Very low	36	Very low	142 Å²	142	136.4 Å²	136.4	74%	0.743	74%	0.739	S	S	*	*			trans	68.2	131	145.7	-74.3	161.5	0	0	0	121.1
35	K	37.5	Very low	36.2	Very low	166 Å²	166	137.4 Å²	137.4	72%	0.722	74%	0.735	S	S	*	*			trans	77	155.2	137.5	-72.9	-178.1	166.9	-122.8	0	119.9
36	E	35.9	Very low	36.5	Very low	142 Å²	142	142.3 Å²	142.3	66%	0.664	74%	0.74	S	S	*	*			cis	-171.8	177.9	-21.2	-168.2	172.4	164.7	0	0	108.7
37	V	37.8	Very low	36.5	Very low	119 Å²	119	142.8 Å²	142.8	72%	0.721	74%	0.739	S	S	*	*			trans	80.4	127.7	160.4	-169.9	0	0	0	0	119.1
38	T	34.5	Very low	36.6	Very low	123 Å²	123	142.2 Å²	142.2	76%	0.755	74%	0.736	S	S	*	*			trans	-96.8	153.3	176.7	50	0	0	0	0	113.7
39	K	38.1	Very low	37	Very low	186 Å²	186	136.9 Å²	136.9	81%	0.809	73%	0.728	S	S	*	*			trans	176.4	121.4	148.7	-93.5	142.5	-166.5	172.6	0	108.9
40	K	37.5	Very low	37	Very low	191 Å²	191	138.9 Å²	138.9	83%	0.83	73%	0.73	S	S	*	*				90.6	124.6	66.3	-89.4	-164.3	174.1	-173.4	0	114.4
41	S	38.5	Very low	37.2	Very low	108 Å²	108	137.8 Å²	137.8	76%	0.755	73%	0.728	S	S	*	*			trans	56	122.5	161	45.4	0	0	0	0	118.9
42	K	37.4	Very low	37.7	Very low	171 Å²	171	138.5 Å²	138.5	74%	0.743	73%	0.729	S	S	*	*				72.6	105.3	52.4	-169.8	-165.5	-178.8	-174.7	0	113
43	H	39.8	Very low	38	Very low	127 Å²	127	141.7 Å²	141.7	59%	0.588	73%	0.732	S	S	*	*				164.2	131.7	127.6	-90.8	-75.9	0	0	0	115.8
44	H	40.4	Very low	38.2	Very low	187 Å²	187	141.9 Å²	141.9	87%	0.866	73%	0.734	S	S	*	*			trans	66.5	129	137	-63.8	-31.8	0	0	0	126.2
45	S	40.8	Very low	38.6	Very low	91 Å²	91	142.5 Å²	142.5	64%	0.636	74%	0.738	S	S	*	*				102.5	100.5	118.7	-179.1	0	0	0	0	124.3
46	K	40.6	Very low	38.6	Very low	190 Å²	190	139.6 Å²	139.6	83%	0.826	74%	0.738	S	S	*	*				70.7	155.8	128.4	-60.9	178.3	179.1	177.5	0	122.4
47	K	39.9	Very low	38.7	Very low	200 Å²	200	141.2 Å²	141.2	87%	0.87	74%	0.743	S	S	*	*			trans	77.1	152.6	168.8	-60	-175	175.9	-179.1	0	115.1
48	S	40.1	Very low	38.9	Very low	95 Å²	95	141.2 Å²	141.2	66%	0.664	74%	0.735	S	S	*	*			cis	-157.2	156.1	-2	-147	0	0	0	0	112.8
49	S	40.6	Very low	39.1	Very low	96 Å²	96	143.7 Å²	143.7	67%	0.671	74%	0.735	S	S	*	*			trans	63.8	159.2	148.1	-53.5	0	0	0	0	118.3
50	Q	38.4	Very low	39.4	Very low	164 Å²	164	140.2 Å²	140.2	77%	0.766	73%	0.732	S	S	*	*			cis	-157.1	160.5	-9.5	-126.3	174.1	-79	0	0	111.7
51	T	37	Very low	39.5	Very low	103 Å²	103	138.3 Å²	138.3	63%	0.632	73%	0.73	S	S	*	*			trans	5.2	155.3	148.1	49	0	0	0	0	121.9
52	T	36.9	Very low	39.5	Very low	109 Å²	109	141.7 Å²	141.7	67%	0.669	73%	0.731	S	S	*	*			cis	-164.6	171.4	28.4	-3.5	0	0	0	0	113.4
53	H	39.7	Very low	39.4	Very low	175 Å²	175	139.4 Å²	139.4	81%	0.81	73%	0.731	S	S	*	*			trans	-37.8	-179.6	179.4	-38.3	-61.1	0	0	0	120.7
54	S	39	Very low	39.2	Very low	95 Å²	95	142.7 Å²	142.7	66%	0.664	74%	0.744	S	S	*	*			cis	-167.1	154.2	20.6	59	0	0	0	0	115.7
55	N	40	Very low	39.1	Very low	155 Å²	155	142 Å²	142	83%	0.829	74%	0.741	S	S	*	*			trans	57.5	142.9	149.9	-60	-20	0	0	0	120
56	S	37.4	Very low	38.9	Very low	104 Å²	104	142.4 Å²	142.4	73%	0.727	75%	0.75	S	S	*	*			cis	-167.4	-159.4	-5.4	51.8	0	0	0	0	108.4
57	K	39.5	Very low	38.8	Very low	177 Å²	177	142.4 Å²	142.4	77%	0.77	75%	0.75	S	S	*	*			cis	-157	-126.4	13.1	-146.4	-163.7	-173.3	-141.4	0	114.5
58	E	40.1	Very low	38.6	Very low	118 Å²	118	139 Å²	139	55%	0.551	74%	0.741	S	S	*	*			trans	-108.9	173.3	-170.4	-63.2	164.9	96.6	0	0	112.8
59	K	39.8	Very low	38.6	Very low	175 Å²	175	144.2 Å²	144.2	76%	0.761	75%	0.746	S	S	*	*			cis	-161.8	155.5	11.4	-135.3	152.2	-175.4	155.3	0	111.4
60	P	43.3	Very low	38.4	Very low	113 Å²	113	145 Å²	145	73%	0.734	74%	0.743	S	S	*	*			trans	-110.7	170.4	179.8	40.5	-34.4	0	0	0	115.1
61	L	40.1	Very low	38.2	Very low	152 Å²	152	144.6 Å²	144.6	80%	0.796	74%	0.741	S	S	*	*			trans	-175.1	120.5	156.1	-102.5	158.7	0	0	0	117.8
62	K	38	Very low	38.2	Very low	178 Å²	178	144.7 Å²	144.7	77%	0.774	75%	0.745	S	S	*	*			trans	46.3	110.5	143.4	-69.7	172.2	-165.6	170.4	0	126.2
63	T	35.5	Very low	38.2	Very low	123 Å²	123	144.5 Å²	144.5	76%	0.755	75%	0.749	S	S	*	*				53.6	123.5	109.3	-38.4	0	0	0	0	123.8
64	K	37.2	Very low	38.1	Very low	197 Å²	197	141.8 Å²	141.8	86%	0.857	74%	0.744	S	S	*	*				-176.5	166	119.3	-101.1	174.2	-176.5	-178.9	0	115.7
65	H	36.6	Very low	37.8	Very low	172 Å²	172	144.3 Å²	144.3	80%	0.796	75%	0.749	S	S	*	*			trans	-81.8	157.2	-164.9	-35.3	-101.2	0	0	0	116.1
66	A	37.2	Very low	37.7	Very low	99 Å²	99	144.1 Å²	144.1	82%	0.818	75%	0.746	S	S	*	*				165.7	130.4	102.4	0	0	0	0	0	116.9
67	K	37.7	Very low	37.6	Very low	190 Å²	190	144.3 Å²	144.3	83%	0.826	75%	0.747	S	S	*	*			trans	14.8	137.4	148.9	-76.8	-179.1	176.3	176.8	0	124
68	N	37.2	Very low	37.5	Very low	128 Å²	128	141.8 Å²	141.8	68%	0.684	75%	0.749	S	S	*	*				108.5	118.9	124.9	-83.6	6	0	0	0	122.6
69	R	39	Very low	37.4	Very low	206 Å²	206	145.3 Å²	145.3	78%	0.777	76%	0.763	S	S	*	*				80.5	127.6	127.4	-77.3	-166.2	164.2	165	-5.4	123.2
70	N	37	Very low	37.1	Very low	113 Å²	113	144 Å²	144	60%	0.604	76%	0.763	S	S	*	*			trans	67.4	153.7	134.2	-65.6	48.5	0	0	0	118.3
71	E	34.7	Very low	36.7	Very low	155 Å²	155	144.2 Å²	144.2	72%	0.724	77%	0.768	S	S	*	*			cis	-166.8	-170.1	-22	-114.6	162.3	-172.6	0	0	107.9
72	S	36.6	Very low	36.6	Very low	104 Å²	104	142.2 Å²	142.2	73%	0.727	77%	0.766	S	S	*	*			trans	66.6	131	-177.5	53.7	0	0	0	0	115.2
73	S	37.5	Very low	36.4	Very low	106 Å²	106	140.8 Å²	140.8	74%	0.741	77%	0.767	S	S	*	*			cis	68.5	142	49.6	82.4	0	0	0	0	112.2
74	V	36.1	Very low	36.4	Very low	118 Å²	118	141.3 Å²	141.3	72%	0.715	77%	0.77	S	S	*	*			cis	-147.1	132	34.7	-179.8	0	0	0	0	112.4
75	I	34.3	Very low	36.3	Very low	147 Å²	147	136.5 Å²	136.5	75%	0.754	76%	0.761	S	S	*	*			trans	8.8	140.8	133.4	-54	163.4	0	0	0	118.7
76	I	37.1	Very low	36	Very low	152 Å²	152	137.2 Å²	137.2	78%	0.779	77%	0.765	S	S	*	*			trans	-175.5	120.8	132.2	-94.7	152.1	0	0	0	113.2
77	S	34.6	Very low	35.8	Very low	107 Å²	107	138.3 Å²	138.3	75%	0.748	77%	0.766	S	S	*	*			trans	41.8	139.1	149.9	-52.4	0	0	0	0	125.1
78	P	38.1	Very low	35.4	Very low	125 Å²	125	137.4 Å²	137.4	81%	0.812	77%	0.77	S	S	*	*			trans	-99.9	170.5	174.8	40.5	-36.5	0	0	0	114.9
79	K	36.8	Very low	35.2	Very low	191 Å²	191	137.1 Å²	137.1	83%	0.83	78%	0.778	S	S	*	*			trans	-162.1	122.6	162.6	-109.1	177.3	-176.7	179.3	0	115.6
80	L	34.2	Very low	34.7	Very low	148 Å²	148	131.9 Å²	131.9	78%	0.775	78%	0.779	S	S	*	*			trans	61.8	136.3	138.1	-62.8	167.9	0	0	0	124.1
81	S	34.2	Very low	34.5	Very low	118 Å²	118	134.6 Å²	134.6	83%	0.825	79%	0.794	S	S	*	*			trans	72.3	153.9	152.9	78.2	0	0	0	0	117.6
82	S	38	Very low	34.4	Very low	109 Å²	109	136.9 Å²	136.9	76%	0.762	80%	0.801	S	S	*	*			cis	-146.8	178.2	4.1	47.6	0	0	0	0	111.7
83	D	33.9	Very low	34.2	Very low	149 Å²	149	140.8 Å²	140.8	80%	0.797	81%	0.808	S	S	*	*			trans	-62.8	161.4	-175.9	-47.4	-96.9	0	0	0	116.1
84	V	36	Very low	33.9	Very low	134 Å²	134	139.1 Å²	139.1	81%	0.812	81%	0.808	S	S	*	*				171.6	128.8	115.4	155.1	0	0	0	0	113.1
85	S	35.3	Very low	33.8	Very low	96 Å²	96	140.9 Å²	140.9	67%	0.671	81%	0.806	S	S	*	*			trans	25.2	118.5	153	-53.3	0	0	0	0	124.2
86	Q	31	Very low	33.7	Very low	187 Å²	187	142.9 Å²	142.9	87%	0.874	81%	0.812	S	S	*	*				38.6	119.3	120.7	-61.3	179.3	-18.7	0	0	121
87	S	32.7	Very low	33.6	Very low	121 Å²	121	144.7 Å²	144.7	85%	0.846	81%	0.814	S	S	*	*				-170.2	158.9	120.5	29.1	0	0	0	0	111.7
88	N	28.8	Very low	33.5	Very low	171 Å²	171	148.5 Å²	148.5	91%	0.914	82%	0.82	S	S	*	*			trans	-95.5	126.6	-173.2	-62.4	-29.6	0	0	0	112.7
89	S	33.1	Very low	33.2	Very low	122 Å²	122	150.1 Å²	150.1	85%	0.853	82%	0.82	S	S	*	*			trans	-157.8	150.4	144.5	55.2	0	0	0	0	110.1
90	A	29	Very low	33.1	Very low	96 Å²	96	148.9 Å²	148.9	79%	0.793	82%	0.821	S	S	*	*			trans	-72.2	149.3	-178.6	0	0	0	0	0	112.3
91	D	33.3	Very low	33	Very low	170 Å²	170	149.8 Å²	149.8	91%	0.909	83%	0.826	S	S	*	*			trans	-146.7	154.1	147	-118.4	-37	0	0	0	111.5
92	K	31.3	Very low	33.2	Very low	203 Å²	203	148.9 Å²	148.9	88%	0.883	81%	0.812	S	S	*	*			trans	-112.1	83.1	-173.7	-74.5	-171.7	176.6	-173.7	0	112.5
93	E	33.2	Very low	33.3	Very low	187 Å²	187	153.4 Å²	153.4	87%	0.874	82%	0.818	S	S	*	*			trans	-155.8	127.4	164	-113.4	170.3	-178.9	0	0	109.8
94	G	31.8	Very low	33.5	Very low	71 Å²	71	150.8 Å²	150.8	73%	0.732	81%	0.811	S	S	*	*			trans	-166.9	7.5	-163.7	0	0	0	0	0	119.8
95	F	32.6	Very low	33.8	Very low	155 Å²	155	152.6 Å²	152.6	68%	0.68	81%	0.808	S	S	*	*			trans	47.9	102.2	164.2	-68.1	-84.7	0	0	0	120	K97	F95-K97 PolarHBondContact O-N 3.28Å; F95-K97 VanDerWaalsContact O-N 3.14Å
96	E	31.8	Very low	33.7	Very low	188 Å²	188	157.5 Å²	157.5	88%	0.879	81%	0.812	S	S	*	*				6.2	94.3	120.5	-57.4	-178.7	141.2	0	0	116.3
97	K	35.4	Very low	33.9	Very low	190 Å²	190	155 Å²	155	83%	0.826	80%	0.8	S	S	*	*			trans	-154.9	18	174.5	-123.3	156.4	-166.4	167.3	0	120.5	F95	F95-K97 PolarHBondContact O-N 3.28Å; F95-K97 VanDerWaalsContact O-N 3.14Å
98	E	33.2	Very low	34.2	Very low	188 Å²	188	158.5 Å²	158.5	88%	0.879	80%	0.803	S	S	*	*			trans	-136.1	53.1	175.4	-157.5	153.6	-145	0	0	114.5
99	I	32.7	Very low	34.7	Very low	158 Å²	158	157.1 Å²	157.1	81%	0.81	80%	0.8	S	S	*	*			trans	-129.6	43	168.6	-39.7	-179	0	0	0	111
100	I	32.9	Very low	35.2	Very low	165 Å²	165	160.4 Å²	160.4	85%	0.846	80%	0.799	S	S	*	*			trans	-138.8	75	177.2	-45.7	179.3	0	0	0	111.6
101	L	32.9	Very low	35.8	Very low	168 Å²	168	165.3 Å²	165.3	88%	0.88	80%	0.802	S	S	*	*	S	Bend	trans	-145.9	152	160.8	-104.5	163.2	0	0	0	111.1	K103	L101-K103 PolarHBondContact O-N 3.34Å
102	D	37.3	Very low	36.2	Very low	98 Å²	98	167.3 Å²	167.3	52%	0.524	80%	0.803	S	S	.	*	S	Bend	trans	50.6	23.8	179.5	-132.1	22.4	0	0	0	120.7	S104 K105	D102-S104 VanDerWaalsContact C-N 3.26Å; D102-S104 PolarHBondContact O-N 3.05Å; D102-K105 VanDerWaalsContact CG-NZ 3.27Å; D102-K105 VanDerWaalsContact OD1-CE 3.31Å; D102-K105 WeakPolarHBondContact OD1-CE 3.45Å; D102-K105 IonicContact OD1-NZ 3.83Å; D102-K105 PolarHBondContact OD1-NZ 3.35Å; D102-K105 IonicContact OD2-NZ 3.1Å; D102-K105 PolarHBondContact OD2-NZ 3.3Å
103	K	41.2	Very low	36.4	Very low	204 Å²	204	167.3 Å²	167.3	89%	0.887	80%	0.798	S	S	*	*			trans	-85.2	14.7	161.3	-74.9	-176.9	177.3	172.8	0	114.3	L101	L101-K103 PolarHBondContact O-N 3.34Å
104	S	38	Very low	36.7	Very low	95 Å²	95	167.9 Å²	167.9	66%	0.664	80%	0.797	S	S	*	*			trans	-110.9	-11.3	-167.9	53.6	0	0	0	0	116.3	D102 R106	D102-S104 VanDerWaalsContact C-N 3.26Å; D102-S104 PolarHBondContact O-N 3.05Å; S104-R106 VanDerWaalsContact C-N 3.33Å; S104-R106 PolarHBondContact O-N 2.8Å
105	K	42.4	Very low	37	Very low	172 Å²	172	170.9 Å²	170.9	75%	0.748	79%	0.792	S	S	*	*			trans	-79.1	80.4	175.8	-70.6	175.7	-170.7	131.9	0	111	D102	D102-K105 VanDerWaalsContact CG-NZ 3.27Å; D102-K105 VanDerWaalsContact OD1-CE 3.31Å; D102-K105 WeakPolarHBondContact OD1-CE 3.45Å; D102-K105 IonicContact OD1-NZ 3.83Å; D102-K105 PolarHBondContact OD1-NZ 3.35Å; D102-K105 IonicContact OD2-NZ 3.1Å; D102-K105 PolarHBondContact OD2-NZ 3.3Å
106	R	33.4	Very low	37.3	Very low	198 Å²	198	168.9 Å²	168.9	75%	0.747	80%	0.797	S	S	*	*			trans	-108.8	140.4	-163.6	-174.7	176.3	176.3	160.8	5.8	113.3	S104	S104-R106 VanDerWaalsContact C-N 3.33Å; S104-R106 PolarHBondContact O-N 2.8Å
107	E	35	Very low	37.8	Very low	136 Å²	136	169.8 Å²	169.8	64%	0.636	80%	0.798	S	S	*	*			trans	33.5	92.8	158.1	-63.1	-180	77.1	0	0	120.1
108	H	38.5	Very low	37.8	Very low	194 Å²	194	163.9 Å²	163.9	90%	0.898	79%	0.791	S	S	*	*			trans	-167.5	129.7	136.3	-80.1	-40.3	0	0	0	106.1
109	V	40.5	Very low	38.1	Very low	142 Å²	142	163.2 Å²	163.2	86%	0.861	79%	0.788	S	S	*	*				-153.1	158	59.5	162.4	0	0	0	0	110.4
110	K	42.9	Very low	38.2	Very low	190 Å²	190	161.1 Å²	161.1	83%	0.826	78%	0.782	S	S	*	*			trans	-105.2	135.3	-174.9	-71.6	173.8	178.9	169.2	0	114.4
111	K	41.6	Very low	38.5	Very low	199 Å²	199	163.2 Å²	163.2	87%	0.865	78%	0.78	S	S	*	*			trans	56	120.4	151.8	-62.1	176.4	177.5	-179.8	0	119.4
112	K	41.3	Very low	38.9	Very low	212 Å²	212	162.6 Å²	162.6	92%	0.922	77%	0.772	S	S	*	*				-168.9	92.1	107.9	-105.6	176.7	-177.6	178.6	0	116
113	R	35.2	Very low	38.8	Very low	203 Å²	203	164.4 Å²	164.4	77%	0.766	78%	0.777	S	S	*	*			trans	-32.5	132.5	155.4	172.7	-173.1	-173.3	176.6	4	116.7	H115	R113-H115 PolarHBondContact NE-NE2 3.31Å; R113-H115 VanDerWaalsContact NE-NE2 3.16Å; R113-H115 PolarHBondContact NH2-NE2 3.18Å
114	K	40.8	Very low	38.8	Very low	200 Å²	200	163 Å²	163	87%	0.87	77%	0.771	S	S	*	*			trans	-178	148.1	143.1	-99.9	179.2	-177.9	-173.9	0	108.2
115	H	37.8	Very low	38.6	Very low	134 Å²	134	168.6 Å²	168.6	62%	0.62	78%	0.778	S	S	*	*			cis	164.9	114	-33.3	-108.4	-33	0	0	0	106.6	R113	R113-H115 PolarHBondContact NE-NE2 3.31Å; R113-H115 VanDerWaalsContact NE-NE2 3.16Å; R113-H115 PolarHBondContact NH2-NE2 3.18Å
116	S	39.5	Very low	38.1	Very low	113 Å²	113	165.5 Å²	165.5	79%	0.79	78%	0.778	S	S	*	*			trans	35.7	129.6	143.6	-169	0	0	0	0	122.9
117	K	40.7	Very low	38.4	Very low	207 Å²	207	163.5 Å²	163.5	90%	0.9	78%	0.775	S	S	*	*				-148	144.5	119	-92.4	174.7	-179.8	-172.2	0	106
118	G	36.6	Very low	38.3	Very low	65 Å²	65	165.6 Å²	165.6	67%	0.67	78%	0.784	S	S	*	*				103.1	134.6	51.3	0	0	0	0	0	107.2
119	E	38.5	Very low	38.2	Very low	175 Å²	175	161.5 Å²	161.5	82%	0.818	77%	0.769	S	S	*	*			cis	-144.6	137.7	12.6	-73.3	163	94.6	0	0	107
120	T	34.5	Very low	37.8	Very low	113 Å²	113	163.6 Å²	163.6	69%	0.693	77%	0.769	S	S	*	*				56.1	132.8	68	66.3	0	0	0	0	116.6
121	R	39.6	Very low	37.3	Very low	210 Å²	210	158 Å²	158	79%	0.792	76%	0.758	S	S	*	*			trans	92.1	143.4	169.3	-60.3	170.8	177.9	-174	-2.3	116
122	H	41.4	Very low	37.2	Very low	155 Å²	155	155.6 Å²	155.6	72%	0.718	76%	0.755	S	S	*	*			cis	-140.7	131.2	-2.5	-106.2	-52.4	0	0	0	113.2
123	E	36.4	Very low	36.6	Very low	136 Å²	136	151.1 Å²	151.1	64%	0.636	75%	0.75	S	S	*	*			trans	-39.2	134.2	147.9	176	-143.8	148.3	0	0	114.1
124	K	39.3	Very low	36.6	Very low	175 Å²	175	149.8 Å²	149.8	76%	0.761	75%	0.753	S	S	*	*				-172.3	107.3	127.9	-104.2	162.2	-173.1	176.3	0	115.6
125	R	35.7	Very low	36.1	Very low	212 Å²	212	145.9 Å²	145.9	80%	0.8	75%	0.745	S	S	*	*			trans	56.5	103.1	136.2	-61	179	-177.4	-134.9	-8.5	118.3
126	S	30.3	Very low	35.8	Very low	106 Å²	106	146.7 Å²	146.7	74%	0.741	75%	0.754	S	S	*	*			trans	-49.8	144.7	141.3	174.3	0	0	0	0	110.6
127	K	41.2	Very low	35.7	Very low	157 Å²	157	145.9 Å²	145.9	68%	0.683	74%	0.744	S	S	*	*			trans	-147.5	83.1	153.6	-144.4	-177.5	176.3	-70.3	0	107.9	D129	K127-D129 IonicContact NZ-OD1 2.87Å; K127-D129 PolarHBondContact NZ-OD1 3.49Å; K127-D129 IonicContact NZ-OD2 2.84Å; K127-D129 PolarHBondContact NZ-OD2 2.92Å; K127-D129 PolarHBondContact O-N 2.93Å
128	H	32.6	Very low	35.2	Very low	180 Å²	180	143.3 Å²	143.3	83%	0.833	74%	0.74	S	S	*	*			trans	-71	106.4	161.1	-123.7	-75.7	0	0	0	106.6
129	D	36	Very low	35.2	Very low	108 Å²	108	147.2 Å²	147.2	58%	0.578	74%	0.741	S	S	*	*			trans	-91.8	124.7	164.2	-74.7	-23	0	0	0	108.3	K127	K127-D129 IonicContact NZ-OD1 2.87Å; K127-D129 PolarHBondContact NZ-OD1 3.49Å; K127-D129 IonicContact NZ-OD2 2.84Å; K127-D129 PolarHBondContact NZ-OD2 2.92Å; K127-D129 PolarHBondContact O-N 2.93Å
130	E	32.6	Very low	34.9	Very low	186 Å²	186	144.4 Å²	144.4	87%	0.869	74%	0.741	S	S	*	*			trans	-19.7	152.8	148.7	-72.8	178	139.9	0	0	116.2
131	A	32.3	Very low	35	Very low	73 Å²	73	144 Å²	144	60%	0.603	74%	0.738	S	S	*	*			cis	-171.1	-156.2	-2.5	0	0	0	0	0	108.8
132	N	38.5	Very low	34.6	Very low	147 Å²	147	140.9 Å²	140.9	79%	0.786	74%	0.736	S	S	*	*			trans	73.8	96.3	157.5	-55.8	-34	0	0	0	116.9	E134	N132-E134 PolarHBondContact O-N 2.72Å
133	S	29.2	Very low	34.4	Very low	118 Å²	118	142.9 Å²	142.9	83%	0.825	74%	0.742	S	S	*	*			trans	-69.6	70.1	154.2	41.8	0	0	0	0	111.6	V135	S133-V135 PolarHBondContact O-N 2.87Å
134	E	34.3	Very low	34.4	Very low	175 Å²	175	144 Å²	144	82%	0.818	75%	0.748	S	S	*	*			trans	-64.8	117.5	151.7	-74	-166.2	120	0	0	107.2	N132	N132-E134 PolarHBondContact O-N 2.72Å
135	V	32.1	Very low	34.2	Very low	118 Å²	118	140 Å²	140	72%	0.715	74%	0.741	S	S	*	*				68.9	85.9	65.8	-176.9	0	0	0	0	111.4	S133	S133-V135 PolarHBondContact O-N 2.87Å
136	N	31.3	Very low	34.3	Very low	151 Å²	151	135.2 Å²	135.2	81%	0.807	74%	0.735	S	S	*	*			trans	87.5	172.6	133	-155.4	10.3	0	0	0	118.4
137	V	36.4	Very low	34.6	Very low	96 Å²	96	139.7 Å²	139.7	58%	0.582	74%	0.736	S	S	*	*			trans	80.5	77.7	169.7	-162.7	0	0	0	0	116.7	Q139	V137-Q139 VanDerWaalsContact CG1-NE2 3.31Å; V137-Q139 PolarHBondContact O-N 3.33Å
138	D	30.1	Very low	34.6	Very low	153 Å²	153	140.1 Å²	140.1	82%	0.818	74%	0.738	S	S	*	*			trans	-34.5	116.8	139.5	-156.2	-6.3	0	0	0	112.9
139	Q	37.7	Very low	35	Very low	148 Å²	148	137.7 Å²	137.7	69%	0.692	73%	0.727	S	S	*	*			trans	-163.8	99.7	160.9	-119.9	155	110.2	0	0	114.7	V137 V141	V137-Q139 VanDerWaalsContact CG1-NE2 3.31Å; V137-Q139 PolarHBondContact O-N 3.33Å; Q139-V141 HydrophobicContact CB-CG2 4.18Å; Q139-V141 HydrophobicContact CG-CG2 4Å; Q139-V141 PolarHBondContact O-N 3.45Å; Q139-V141 VanDerWaalsContact O-N 3.16Å
140	S	32.1	Very low	35.4	Very low	116 Å²	116	139.8 Å²	139.8	81%	0.811	73%	0.731	S	S	*	*			trans	-76.5	92.2	171.2	55	0	0	0	0	112.1
141	V	36.3	Very low	35.8	Very low	103 Å²	103	137.6 Å²	137.6	62%	0.624	72%	0.72	S	S	*	*			trans	-122.7	92.9	-176.1	-173.1	0	0	0	0	114.3	Q139	Q139-V141 HydrophobicContact CB-CG2 4.18Å; Q139-V141 HydrophobicContact CG-CG2 4Å; Q139-V141 PolarHBondContact O-N 3.45Å; Q139-V141 VanDerWaalsContact O-N 3.16Å
142	I	30.8	Very low	36.1	Very low	146 Å²	146	143.6 Å²	143.6	75%	0.749	73%	0.727	S	S	*	*			trans	35.4	107.3	131.6	-50.2	165.7	0	0	0	118.3
143	K	36.9	Very low	36.4	Very low	196 Å²	196	141.6 Å²	141.6	85%	0.852	72%	0.716	S	S	*	*			trans	172.8	149.9	145.2	-95	148.5	-166.3	172.4	0	107.7
144	E	35.8	Very low	37.1	Very low	161 Å²	161	145 Å²	145	75%	0.752	72%	0.717	S	S	*	*			cis	-138.6	152.7	-0.2	-104.6	-170.3	75.8	0	0	108.9
145	S	35.3	Very low	37.7	Very low	89 Å²	89	142 Å²	142	62%	0.622	71%	0.712	S	S	*	*				62.4	134.7	87.2	125.9	0	0	0	0	114.6
146	V	38.3	Very low	38.3	Very low	112 Å²	112	145.9 Å²	145.9	68%	0.679	72%	0.722	S	S	*	*			cis	-166.8	168.2	-0.3	74.9	0	0	0	0	113.6
147	R	37.3	Very low	38.6	Very low	200 Å²	200	141.7 Å²	141.7	76%	0.755	71%	0.714	S	S	*	*			trans	80.1	109.5	154	-73.6	169.1	-172.6	175.9	2.2	122.5
148	K	41.3	Very low	38.8	Very low	167 Å²	167	143.2 Å²	143.2	73%	0.726	73%	0.729	S	S	*	*				76.1	153.5	129.7	-63.6	-176.9	-177.1	-173.7	0	117.7
149	H	40.6	Very low	39.2	Very low	129 Å²	129	140.6 Å²	140.6	60%	0.597	72%	0.723	S	S	*	*			cis	-153.8	145.8	6.9	-134	-1.7	0	0	0	114.9
150	K	43.4	Very low	39.4	Very low	152 Å²	152	142.5 Å²	142.5	66%	0.661	73%	0.729	S	S	*	*			trans	64.4	117.6	143.7	-80.6	171.1	176.4	172.8	0	122.8
151	H	41.2	Very low	39.5	Very low	139 Å²	139	145.3 Å²	145.3	64%	0.644	73%	0.732	S	S	*	*			trans	67.9	153.4	132.4	-78.5	-53.5	0	0	0	119.9	D153	H151-D153 IonicContact ND1-OD1 2.72Å
152	R	39.5	Very low	39.7	Very low	200 Å²	200	146.1 Å²	146.1	76%	0.755	74%	0.742	S	S	*	*			cis	-146	140	7.5	-151.2	149.8	-172.6	172.9	4.9	114.1
153	D	45	Very low	40.2	Very low	105 Å²	105	146.6 Å²	146.6	56%	0.561	74%	0.742	S	S	*	*			trans	12.6	141	146.4	-22.9	-27.4	0	0	0	118.3	H151	H151-D153 IonicContact ND1-OD1 2.72Å
154	K	44.1	Very low	40.3	Very low	190 Å²	190	143.2 Å²	143.2	83%	0.826	74%	0.738	S	S	*	*			cis	-157.6	156.2	38.6	-65.8	178	177.1	179	0	114.2
155	P	46.9	Very low	40.3	Very low	112 Å²	112	143 Å²	143	73%	0.727	74%	0.742	S	S	*	*			trans	-114.5	157.8	172	40.2	-31.4	0	0	0	115.1
156	H	42.9	Very low	40.3	Very low	199 Å²	199	141.7 Å²	141.7	92%	0.921	74%	0.743	S	S	*	*			trans	-161.1	141.6	155	-74.3	-68.1	0	0	0	108.8
157	G	38.6	Very low	40.3	Very low	63 Å²	63	143.7 Å²	143.7	65%	0.649	75%	0.748	S	S	*	*			cis	164.7	157.5	-12.4	0	0	0	0	0	113.3
158	S	41.4	Very low	40.2	Very low	128 Å²	128	139.6 Å²	139.6	90%	0.895	75%	0.745	S	S	*	*			trans	69.9	152.8	164.6	77.1	0	0	0	0	119.3
159	S	37.8	Very low	40	Very low	98 Å²	98	140.3 Å²	140.3	69%	0.685	75%	0.751	S	S	*	*			cis	-170.9	169.1	-25.3	-174.2	0	0	0	0	111.1
160	K	41.3	Very low	39.7	Very low	187 Å²	187	145.4 Å²	145.4	81%	0.813	77%	0.765	S	S	*	*			trans	73.2	118.4	170.4	-48.6	-174.4	-176.5	-176.9	0	115.1
161	M	34.5	Very low	39.4	Very low	176 Å²	176	143.4 Å²	143.4	87%	0.867	77%	0.77	S	S	*	*			cis	78.8	117.5	35.3	-57	174.8	60.8	0	0	115.8
162	S	41.4	Very low	39.3	Very low	120 Å²	120	143.4 Å²	143.4	84%	0.839	78%	0.78	S	S	*	*			trans	-148.1	149.9	147.6	-168.3	0	0	0	0	108.9
163	M	40.8	Very low	39	Very low	155 Å²	155	143.6 Å²	143.6	76%	0.764	79%	0.786	S	S	*	*			trans	-90.8	153.9	-178.5	-64.4	-169.3	-51.6	0	0	109.6
164	V	38.4	Very low	38.5	Very low	126 Å²	126	143.8 Å²	143.8	76%	0.764	80%	0.796	S	S	*	*			cis	74.1	143.7	47.4	176.7	0	0	0	0	112.5
165	D	36.9	Very low	38.1	Very low	156 Å²	156	140.8 Å²	140.8	83%	0.834	79%	0.793	S	S	*	*			trans	71.8	143.7	-168.8	-56	-39.8	0	0	0	116.2
166	G	33.8	Very low	37.5	Very low	62 Å²	62	142.8 Å²	142.8	64%	0.639	80%	0.796	S	S	*	*			cis	173.3	-166.4	-4	0	0	0	0	0	112.4
167	I	38.8	Very low	36.9	Very low	153 Å²	153	139.2 Å²	139.2	79%	0.785	79%	0.792	S	S	*	*			trans	73.2	99.2	167.1	-50.6	175.4	0	0	0	114.5
168	T	35.3	Very low	36.8	Very low	114 Å²	114	139 Å²	139	70%	0.699	79%	0.79	S	S	*	*				75.9	126.8	74.8	-60.8	0	0	0	0	114.8
169	H	38.3	Very low	36.5	Very low	182 Å²	182	140.1 Å²	140.1	84%	0.843	79%	0.786	S	S	*	*				-175.8	166.5	125.6	-94	-62.1	0	0	0	112.3
170	R	33.3	Very low	36.5	Very low	237 Å²	237	140.3 Å²	140.3	89%	0.894	79%	0.788	S	S	*	*			trans	-155.7	125.8	-152.7	179.2	-165	-167.3	-160.8	9.5	112.4
171	S	37.6	Very low	36.2	Very low	110 Å²	110	136.9 Å²	136.9	77%	0.769	79%	0.785	S	S	*	*			trans	-172.5	153.2	172.6	-94	0	0	0	0	111.5
172	T	38.1	Very low	36.2	Very low	138 Å²	138	138 Å²	138	85%	0.847	78%	0.78	S	S	*	*			cis	-160.3	170.3	-23.6	10.4	0	0	0	0	108.1
173	K	33.6	Very low	35.9	Very low	204 Å²	204	138.5 Å²	138.5	89%	0.887	77%	0.769	S	S	*	*			trans	-108.1	148.7	-176.9	-63.9	-178.6	177.8	-177.1	0	114.3
174	S	35.9	Very low	35.6	Very low	110 Å²	110	137.7 Å²	137.7	77%	0.769	77%	0.768	S	S	*	*			trans	-159.4	132.9	151.3	50.5	0	0	0	0	106.6
175	V	34.1	Very low	35.2	Very low	126 Å²	126	136 Å²	136	76%	0.764	77%	0.768	S	S	*	*			cis	65.9	122.2	41.5	-163.7	0	0	0	0	109
176	I	35.4	Very low	35.1	Very low	155 Å²	155	134.7 Å²	134.7	80%	0.795	77%	0.767	S	S	*	*				-146.4	134.3	52.5	-61.7	159.8	0	0	0	107.3
177	C	29.3	Very low	35.2	Very low	124 Å²	124	137.8 Å²	137.8	84%	0.838	77%	0.774	S	S	*	*				66.5	148.6	78.1	-138.6	0	0	0	0	117.6
178	G	36.5	Very low	34.8	Very low	59 Å²	59	135.5 Å²	135.5	61%	0.608	77%	0.771	S	S	*	*			trans	135.5	87.1	-173.6	0	0	0	0	0	109.9
179	D	36.7	Very low	34.9	Very low	151 Å²	151	136.2 Å²	136.2	81%	0.807	78%	0.776	S	S	*	*				62.2	125.5	87.5	-65.9	-46.1	0	0	0	112.7
180	S	36.3	Very low	34.7	Very low	102 Å²	102	136.1 Å²	136.1	71%	0.713	77%	0.773	S	S	*	*			cis	-154.2	151.5	38.4	-52.2	0	0	0	0	113.9
181	C	35.5	Very low	34.8	Very low	114 Å²	114	133.4 Å²	133.4	77%	0.77	77%	0.77	S	S	*	*			trans	50.4	144	140.3	-62.7	0	0	0	0	122.4
182	R	35	Very low	34.6	Very low	201 Å²	201	136.7 Å²	136.7	76%	0.758	77%	0.773	S	S	*	*			cis	-170.6	156.8	-14.5	-120.1	-179.7	-169.6	-128.3	14.2	108.5
183	Q	33.8	Very low	34.3	Very low	129 Å²	129	135 Å²	135	60%	0.603	77%	0.767	S	S	*	*			trans	29.1	137.9	134.2	-73.5	173.2	-53.4	0	0	120.4
184	D	34.5	Very low	34.3	Very low	138 Å²	138	134 Å²	134	74%	0.738	76%	0.763	S	S	*	*			cis	-151.7	142.6	21.8	-85.2	-43.4	0	0	0	110.3
185	A	31.2	Very low	34.2	Very low	92 Å²	92	137 Å²	137	76%	0.76	77%	0.765	S	S	*	*				89.4	132.7	76.9	0	0	0	0	0	115.5
186	P	35.1	Very low	34.3	Very low	127 Å²	127	137 Å²	137	83%	0.825	77%	0.765	S	S	*	*			trans	-115.7	142.7	-174.5	39.6	-31	0	0	0	117.1
187	T	35.8	Very low	34.1	Very low	128 Å²	128	136.4 Å²	136.4	79%	0.785	76%	0.762	S	S	*	*			trans	-155.4	117.3	163.1	39.8	0	0	0	0	107.7
188	S	30.8	Very low	34.4	Very low	104 Å²	104	136 Å²	136	73%	0.727	76%	0.758	S	S	*	*				64.1	129.4	77.4	77.2	0	0	0	0	115.2
189	V	35.9	Very low	34.2	Very low	130 Å²	130	144.3 Å²	144.3	79%	0.788	77%	0.771	S	S	*	*			trans	163.8	127.8	141.6	153.2	0	0	0	0	112.7
190	K	35.1	Very low	34.3	Very low	179 Å²	179	141.9 Å²	141.9	78%	0.778	76%	0.763	S	S	*	*			trans	56.4	110.7	156.6	-76.7	178.8	176.3	-177.1	0	123
191	E	34.2	Very low	34.1	Very low	181 Å²	181	148.3 Å²	148.3	85%	0.846	77%	0.774	S	S	*	*				-4.3	133.2	119.2	-52.5	162	132.2	0	0	118
192	Q	33.9	Very low	34	Very low	178 Å²	178	149.1 Å²	149.1	83%	0.832	78%	0.775	S	S	*	*				-156.1	130.9	123.2	-127.7	175.9	2.6	0	0	112.1
193	S	31.2	Very low	33.8	Very low	103 Å²	103	149.6 Å²	149.6	72%	0.72	78%	0.779	S	S	*	*			trans	-93.1	133	175.7	53.7	0	0	0	0	111.2
194	F	35.1	Very low	34.1	Very low	182 Å²	182	152 Å²	152	80%	0.798	79%	0.79	S	S	*	*			trans	-140.2	128.8	157.4	-85.6	-69.7	0	0	0	112.5
195	E	32.8	Very low	34.1	Very low	173 Å²	173	150 Å²	150	81%	0.808	78%	0.784	S	S	*	*			trans	-93.7	120.1	179.7	171	-175.7	-155.9	0	0	109.3
196	V	35.6	Very low	34.5	Very low	128 Å²	128	152 Å²	152	78%	0.776	79%	0.787	S	S	*	*			trans	-143.1	113.1	168.6	-174.5	0	0	0	0	110.1
197	I	31.4	Very low	34.5	Very low	142 Å²	142	152.1 Å²	152.1	73%	0.728	79%	0.787	S	S	*	*			trans	-95.3	133.9	170.9	-62.4	170	0	0	0	109
198	P	35.8	Very low	34.5	Very low	116 Å²	116	149.5 Å²	149.5	75%	0.753	79%	0.786	S	S	*	*			trans	-136.9	112	140.2	28	-10.1	0	0	0	113.4
199	R	33.4	Very low	34.6	Very low	233 Å²	233	151 Å²	151	88%	0.879	79%	0.791	S	S	*	*			trans	-77.2	171.3	144.7	-76.9	-176	176.3	-172.9	-0.3	108.7
200	P	37.2	Very low	34.5	Very low	99 Å²	99	151.1 Å²	151.1	64%	0.643	80%	0.795	S	S	*	*			cis	-125.3	175.4	-25.8	37.6	-24.1	0	0	0	111.9
201	Y	32.2	Very low	34.3	Very low	238 Å²	238	148.5 Å²	148.5	93%	0.933	80%	0.798	S	S	*	*			trans	-142.3	122	147	-93.1	-73.4	0	0	0	111.1
202	T	33.8	Very low	34.2	Very low	131 Å²	131	145.4 Å²	145.4	80%	0.804	80%	0.797	S	S	*	*			trans	-82.5	146.3	167.2	32.2	0	0	0	0	110.2
203	Y	31.7	Very low	34.1	Very low	211 Å²	211	141.6 Å²	141.6	83%	0.827	80%	0.796	S	S	*	*			trans	-140.4	115.7	170	-152.7	-89.7	0	0	0	109.5	P205	Y203-P205 WeakPolarHBondContact O-CD 3.37Å
204	E	38.5	Very low	34.1	Very low	179 Å²	179	141.3 Å²	141.3	84%	0.836	79%	0.794	S	S	*	*			trans	-110.4	97.2	-178.8	-89.8	-74.4	169.9	0	0	109.3
205	P	36.1	Very low	33.8	Very low	95 Å²	95	143.5 Å²	143.5	62%	0.617	80%	0.797	S	S	*	*			trans	-86.3	118.6	175.3	32.4	-30.7	0	0	0	111.7	Y203	Y203-P205 WeakPolarHBondContact O-CD 3.37Å
206	V	38.1	Very low	33.7	Very low	135 Å²	135	142 Å²	142	82%	0.818	80%	0.804	S	S	*	*			trans	-37.7	139.5	179	179.9	0	0	0	0	114.7
207	P	37.1	Very low	33.4	Very low	129 Å²	129	140.5 Å²	140.5	84%	0.838	80%	0.799	S	S	*	*	S	Bend	trans	-70	144.7	-176.4	-16.5	30.1	0	0	0	114.5
208	G	35.8	Very low	33.6	Very low	73 Å²	73	139.5 Å²	139.5	75%	0.753	80%	0.804	S	S	*	*			trans	125.2	65.7	150.1	0	0	0	0	0	118.3
209	T	32.8	Very low	33.5	Very low	137 Å²	137	141.6 Å²	141.6	84%	0.84	80%	0.804	S	S	*	*			trans	-151.7	127.9	152.1	13.2	0	0	0	0	110.6	S211	T209-S211 PolarHBondContact O-N 3.11Å
210	P	32.4	Very low	33.5	Very low	132 Å²	132	137.9 Å²	137.9	86%	0.857	80%	0.8	S	S	*	*			trans	-81.2	117.6	176.1	31.4	-31.5	0	0	0	110.2
211	S	32.4	Very low	33.1	Very low	123 Å²	123	138.4 Å²	138.4	86%	0.86	81%	0.806	S	S	*	*			trans	-104	133.2	179.6	-166.6	0	0	0	0	111.7	T209	T209-S211 PolarHBondContact O-N 3.11Å
212	S	30.5	Very low	33.1	Very low	116 Å²	116	137.3 Å²	137.3	81%	0.811	80%	0.8	S	S	*	*			trans	-103.3	116.3	-176.1	-51.3	0	0	0	0	112
213	A	32.4	Very low	32.9	Very low	98 Å²	98	137.2 Å²	137.2	81%	0.81	81%	0.805	S	S	*	*			trans	-143.7	113.8	165.2	0	0	0	0	0	107.5
214	S	31.2	Very low	33	Very low	97 Å²	97	131.8 Å²	131.8	68%	0.678	80%	0.797	S	S	*	*			cis	72.6	97.7	25.1	-157.7	0	0	0	0	115
215	R	29.4	Very low	32.5	Very low	229 Å²	229	128.9 Å²	128.9	86%	0.864	80%	0.797	S	S	*	*			trans	60.4	98.9	152.2	-64.5	176.9	168.4	170.5	-3.7	118.3
216	C	30.2	Very low	32.3	Very low	142 Å²	142	130.4 Å²	130.4	96%	0.959	81%	0.808	S	S	*	*				-102.6	125.7	128	-76.9	0	0	0	0	108.4
217	S	29.6	Very low	32	Very low	95 Å²	95	129.8 Å²	129.8	66%	0.664	81%	0.81	S	S	*	*			trans	-118.2	133.5	169.6	177.5	0	0	0	0	108.4
218	S	35.6	Very low	31.8	Very low	121 Å²	121	132.9 Å²	132.9	85%	0.846	81%	0.813	S	S	*	*			trans	-135.6	94.1	169.5	42.3	0	0	0	0	109
219	H	33.5	Very low	31.5	Very low	160 Å²	160	134.9 Å²	134.9	74%	0.741	82%	0.816	S	S	*	*			trans	-60.8	138.8	170.3	-60.3	-103.6	0	0	0	110.3
220	I	32.6	Very low	31.8	Very low	156 Å²	156	134 Å²	134	80%	0.8	81%	0.812	S	S	*	*			trans	-137.8	106.8	137	-96.2	149.6	0	0	0	107.2
221	S	28.9	Very low	32	Very low	109 Å²	109	136 Å²	136	76%	0.762	81%	0.814	S	S	*	*			trans	-111.4	111.5	162.4	-55.4	0	0	0	0	106.3
222	R	32.6	Very low	32	Very low	216 Å²	216	141.1 Å²	141.1	82%	0.815	82%	0.815	S	S	*	*			trans	-133.2	77.3	173.3	-66.3	-161.5	80.3	162.1	5.2	111	S224	R222-S224 PolarHBondContact O-N 3.43Å
223	S	29.8	Very low	32.2	Very low	129 Å²	129	141.8 Å²	141.8	90%	0.902	82%	0.819	S	S	*	*			trans	-63.2	118.9	155.2	-48.9	0	0	0	0	108.4
224	S	32.9	Very low	32.3	Very low	96 Å²	96	140.6 Å²	140.6	67%	0.671	82%	0.817	S	S	*	*			trans	-145.9	94.4	167.2	60.3	0	0	0	0	110.3	R222 C226	R222-S224 PolarHBondContact O-N 3.43Å; S224-C226 PolarHBondContact O-N 3.07Å
225	S	29.6	Very low	32.5	Very low	118 Å²	118	144.9 Å²	144.9	83%	0.825	82%	0.823	S	S	*	*			trans	-65.5	123.6	166.2	38	0	0	0	0	110
226	C	31.8	Very low	32.9	Very low	127 Å²	127	142.8 Å²	142.8	86%	0.858	82%	0.823	S	S	*	*			trans	-135.3	92.2	168.7	-91.2	0	0	0	0	109.3	S224 Q228	S224-C226 PolarHBondContact O-N 3.07Å; C226-Q228 PolarHBondContact O-N 3.42Å
227	S	31.5	Very low	33.1	Very low	122 Å²	122	143.1 Å²	143.1	85%	0.853	81%	0.81	S	S	*	*			trans	-81	106.8	173.2	52.9	0	0	0	0	110.4
228	Q	32.8	Very low	33.3	Very low	195 Å²	195	144.8 Å²	144.8	91%	0.911	81%	0.809	S	S	*	*			trans	-149.2	122.5	163.2	-115.8	173.3	17.2	0	0	112.4	C226	C226-Q228 PolarHBondContact O-N 3.42Å
229	S	29.1	Very low	33.3	Very low	114 Å²	114	145.9 Å²	145.9	80%	0.797	80%	0.8	S	S	*	*			trans	-122.8	172.7	172.9	-58.1	0	0	0	0	107.8
230	P	40	Very low	33.3	Very low	118 Å²	118	148.2 Å²	148.2	77%	0.766	80%	0.803	S	S	*	*				-133.2	153.1	-52.6	36.5	-23.1	0	0	0	111.7
231	I	34.9	Very low	33.2	Very low	175 Å²	175	145 Å²	145	90%	0.897	80%	0.799	S	S	*	*			trans	-132.2	132.6	169.6	-59.3	-177.2	0	0	0	110.9
232	R	33.8	Very low	33.4	Very low	231 Å²	231	147.6 Å²	147.6	87%	0.872	80%	0.799	S	S	*	*			trans	-93.5	147.5	175.7	-78.3	173.6	156.5	-179.1	-5.7	111.4
233	S	34.4	Very low	33.6	Very low	129 Å²	129	142.5 Å²	142.5	90%	0.902	79%	0.788	S	S	*	*				158.1	159.2	109	57.3	0	0	0	0	113.7
234	G	33.5	Very low	33.9	Very low	74 Å²	74	142 Å²	142	76%	0.763	78%	0.781	S	S	*	*			trans	100.6	84.7	179.1	0	0	0	0	0	113
235	K	37.2	Very low	34	Very low	187 Å²	187	147.1 Å²	147.1	81%	0.813	79%	0.786	S	S	*	*				67.4	90.9	71.9	-76.9	-155.9	168.9	-160.1	0	116.1
236	H	36	Very low	34.2	Very low	185 Å²	185	151.1 Å²	151.1	86%	0.856	79%	0.789	S	S	*	*			trans	-157.9	120.2	140.4	-95.3	-83.3	0	0	0	103.3
237	E	35.1	Very low	34.2	Very low	149 Å²	149	152.8 Å²	152.8	70%	0.696	78%	0.784	S	S	*	*				52.7	121	53.6	-76.5	-167.1	88.5	0	0	112.7
238	M	33.6	Very low	34.3	Very low	130 Å²	130	153 Å²	153	64%	0.64	78%	0.776	S	S	*	*			cis	-155.3	167.3	20.7	-118.3	-69	-162.6	0	0	112.9
239	H	34.8	Very low	34.5	Very low	144 Å²	144	151.5 Å²	151.5	67%	0.667	77%	0.766	S	S	*	*			trans	70.6	143.8	165.6	-53.3	-34.1	0	0	0	117.9
240	R	33.9	Very low	34.9	Very low	208 Å²	208	154 Å²	154	79%	0.785	77%	0.769	S	S	*	*			cis	-148.9	152.5	-8.5	-121.1	-178.7	-152.9	-162.8	8.5	109.1
241	A	30.8	Very low	34.7	Very low	88 Å²	88	157.7 Å²	157.7	73%	0.727	78%	0.776	S	S	*	*			trans	-112.9	141.8	173.8	0	0	0	0	0	111.2
242	H	33.8	Very low	34.7	Very low	164 Å²	164	160.3 Å²	160.3	76%	0.759	78%	0.775	S	S	*	*			trans	-144	95.3	160.5	-75.5	-75	0	0	0	105.2
243	D	36.3	Very low	34.6	Very low	109 Å²	109	158.4 Å²	158.4	58%	0.583	78%	0.776	S	S	*	*				67.3	89.8	71.7	-165.3	10	0	0	0	112.9	R245	D243-R245 VanDerWaalsContact C-N 3.3Å; D243-R245 PolarHBondContact O-N 3.27Å
244	P	35.9	Very low	34.6	Very low	118 Å²	118	163 Å²	163	77%	0.766	77%	0.774	S	S	*	*	S	Bend	trans	-81.6	69.7	-177.1	34.6	-35.3	0	0	0	111.4
245	R	34.4	Very low	34.6	Very low	204 Å²	204	169.6 Å²	169.6	77%	0.77	78%	0.777	S	S	*	*			trans	-165	67.9	172.7	-126.7	169.9	-62.4	-178.1	5.1	116.5	D243	D243-R245 VanDerWaalsContact C-N 3.3Å; D243-R245 PolarHBondContact O-N 3.27Å
246	F	34.3	Very low	34.5	Very low	203 Å²	203	168.7 Å²	168.7	89%	0.89	78%	0.775	S	S	*	*			trans	-129.3	142.7	162.3	-99.5	-86.7	0	0	0	113.6
247	H	31.8	Very low	34.4	Very low	161 Å²	161	167.6 Å²	167.6	75%	0.745	77%	0.77	S	S	*	*			trans	-92.3	146.7	-179.7	-63.5	-96.6	0	0	0	111.2
248	D	34.2	Very low	34.2	Very low	127 Å²	127	167.9 Å²	167.9	68%	0.679	78%	0.777	S	S	*	*				-156.8	122.2	109.4	-98.9	-23.1	0	0	0	110.4
249	K	36.3	Very low	34.3	Very low	163 Å²	163	166.2 Å²	166.2	71%	0.709	78%	0.778	S	S	*	*				53	93.6	90	-62.8	-166.1	-152	86.9	0	113.4
250	L	37.3	Very low	34.3	Very low	166 Å²	166	170.8 Å²	170.8	87%	0.869	79%	0.789	S	S	*	*				163.8	92.5	120.9	-87.7	165.3	0	0	0	112
251	H	35.8	Very low	34.4	Very low	196 Å²	196	166 Å²	166	91%	0.907	79%	0.788	S	S	*	*			trans	-149.2	156	132.4	-132	-105.6	0	0	0	111.8
252	R	35.5	Very low	34.6	Very low	230 Å²	230	167.8 Å²	167.8	87%	0.868	79%	0.792	S	S	*	*			trans	-89.1	144.1	-163	-87.7	174.2	153.4	177	-7.3	113.9
253	Q	31.6	Very low	34.6	Very low	192 Å²	192	165.8 Å²	165.8	90%	0.897	80%	0.797	S	S	*	*			trans	-49.8	138.7	157.5	-61.8	167.9	-55.3	0	0	111.5
254	R	35.1	Very low	34.8	Very low	226 Å²	226	167.8 Å²	167.8	85%	0.853	80%	0.804	S	S	*	*			trans	-142	115.5	146.2	-83	-158.7	176.6	-167.4	1.5	111
255	Y	33.9	Very low	34.7	Very low	212 Å²	212	169 Å²	169	83%	0.831	80%	0.799	S	S	*	*			trans	55.1	101.8	151.5	-69.1	-83.1	0	0	0	119.6
256	E	34.9	Very low	34.8	Very low	167 Å²	167	167 Å²	167	78%	0.78	80%	0.803	S	S	*	*			trans	-60.6	162.3	137.2	-56.4	174	99.2	0	0	111.2
257	Q	33.3	Very low	35	Very low	162 Å²	162	166.7 Å²	166.7	76%	0.757	80%	0.796	S	S	*	*			trans	70.9	133.9	166.9	-53.1	-173.9	6.8	0	0	117.8
258	N	31.1	Very low	35.1	Very low	156 Å²	156	167.6 Å²	167.6	83%	0.834	80%	0.8	S	S	*	*			trans	76.3	134.6	178.9	-53.2	-57.5	0	0	0	115.1
259	S	34.8	Very low	35.3	Very low	95 Å²	95	166.9 Å²	166.9	66%	0.664	80%	0.796	S	S	*	*			cis	-171.1	151.2	-5	45.1	0	0	0	0	114.3
260	R	36.2	Very low	35.3	Very low	239 Å²	239	167.3 Å²	167.3	90%	0.902	80%	0.801	S	S	*	*			trans	62.9	118.9	148.3	-76.8	175.5	167.7	170.1	-4.5	120.1
261	S	35.4	Very low	35.2	Very low	107 Å²	107	169 Å²	169	75%	0.748	80%	0.801	S	S	*	*			trans	-57.3	152.1	152.8	-31.1	0	0	0	0	112.3	S263	S261-S263 PolarHBondContact O-N 2.81Å
262	P	34.7	Very low	35.3	Very low	127 Å²	127	164.9 Å²	164.9	83%	0.825	79%	0.792	S	S	*	*			trans	-79	86.8	-177.5	32	-35.8	0	0	0	113	M264	P262-M264 PolarHBondContact O-N 3.01Å
263	S	34.5	Very low	35.4	Very low	122 Å²	122	160.9 Å²	160.9	85%	0.853	79%	0.787	S	S	*	*			trans	-84	99.4	166.9	-174	0	0	0	0	110.4	S261	S261-S263 PolarHBondContact O-N 2.81Å
264	M	39.2	Very low	35.5	Very low	151 Å²	151	159 Å²	159	74%	0.744	78%	0.783	S	S	*	*			trans	-67.5	148	-179.8	-79.5	-67.3	-77.3	0	0	113.5	P262	P262-M264 PolarHBondContact O-N 3.01Å
265	H	34.5	Very low	35.7	Very low	142 Å²	142	152.9 Å²	152.9	66%	0.657	77%	0.773	S	S	*	*			trans	-5	123.8	175.8	-65.2	-15.7	0	0	0	120.1
266	L	36.5	Very low	35.8	Very low	163 Å²	163	149 Å²	149	85%	0.853	77%	0.771	S	S	*	*				-128.9	116.7	128.2	-146.8	77.5	0	0	0	108.5
267	R	37.4	Very low	35.5	Very low	197 Å²	197	152 Å²	152	74%	0.743	78%	0.775	S	S	*	*			trans	-81.3	123.7	172.6	-75	-168.9	180	-133.3	7.1	109.2
268	H	35.1	Very low	35.7	Very low	179 Å²	179	148.2 Å²	148.2	83%	0.829	77%	0.771	S	S	*	*			trans	-96.9	118.7	155.3	-93.7	12	0	0	0	107.7
269	D	37.5	Very low	36.1	Very low	112 Å²	112	146.6 Å²	146.6	60%	0.599	77%	0.767	S	S	*	*			trans	-150.6	149.8	169.1	-96.9	-50.6	0	0	0	109.6
270	H	36.6	Very low	36.2	Very low	172 Å²	172	149 Å²	149	80%	0.796	77%	0.772	S	S	*	*			trans	70.9	89.9	168	-46.2	-41.8	0	0	0	119.5
271	K	36.3	Very low	36.2	Very low	202 Å²	202	143.5 Å²	143.5	88%	0.878	77%	0.771	S	S	*	*				-68.5	153.7	125	-80.6	-176.5	176.2	-175.8	0	108.4
272	P	37	Very low	36.4	Very low	110 Å²	110	142.2 Å²	142.2	71%	0.714	77%	0.774	S	S	*	*			cis	-127	-166.8	46.2	31.1	-7.3	0	0	0	112.5
273	D	37.1	Very low	36.4	Very low	145 Å²	145	146 Å²	146	78%	0.775	78%	0.781	S	S	*	*			cis	-157	-176.2	32.6	-124.6	-43	0	0	0	115.8
274	L	34.7	Very low	36.3	Very low	153 Å²	153	143.1 Å²	143.1	80%	0.801	77%	0.77	S	S	*	*			trans	-84.6	-170.4	-175.5	-73.6	161.9	0	0	0	114.4
275	P	39.4	Very low	36.5	Very low	98 Å²	98	142.4 Å²	142.4	64%	0.636	78%	0.775	S	S	*	*			cis	-136.4	-169.4	-23	25.7	-1.4	0	0	0	115
276	T	35.9	Very low	36.5	Very low	129 Å²	129	143.1 Å²	143.1	79%	0.791	78%	0.783	S	S	*	*			trans	67.7	152.1	150.6	41.1	0	0	0	0	120
277	R	29.4	Very low	36.7	Very low	231 Å²	231	140.2 Å²	140.2	87%	0.872	77%	0.774	S	S	*	*			cis	-169.7	167.7	-15.5	170	171	177.5	178.7	-0.2	108.7
278	A	37	Very low	36.7	Very low	82 Å²	82	139.3 Å²	139.3	68%	0.678	78%	0.778	S	S	*	*			trans	94.4	141.3	164.5	0	0	0	0	0	116.2
279	T	39	Very low	37	Very low	122 Å²	122	137.3 Å²	137.3	75%	0.748	77%	0.769	S	S	*	*			cis	-156.4	138.4	-8.3	8.7	0	0	0	0	112.3
280	D	36.4	Very low	37.1	Very low	145 Å²	145	137.7 Å²	137.7	78%	0.775	77%	0.766	S	S	*	*			trans	42.2	150	142.6	-73.6	-60.4	0	0	0	126.7
281	S	36.9	Very low	37.4	Very low	125 Å²	125	138.3 Å²	138.3	87%	0.874	76%	0.762	S	S	*	*			trans	83.2	139.4	153.4	77	0	0	0	0	120
282	G	39.3	Very low	37.7	Very low	79 Å²	79	134.4 Å²	134.4	81%	0.814	75%	0.751	S	S	*	*			trans	139.7	69	174.6	0	0	0	0	0	115.6
283	H	34.9	Very low	37.8	Very low	207 Å²	207	133.3 Å²	133.3	96%	0.958	75%	0.746	S	S	*	*			trans	-75.7	151.5	169.2	-75.8	-84.3	0	0	0	112
284	G	32	Very low	37.7	Very low	62 Å²	62	132.3 Å²	132.3	64%	0.639	74%	0.74	S	S	*	*			trans	158.3	134.8	153.4	0	0	0	0	0	117.1
285	T	43.3	Very low	37.9	Very low	136 Å²	136	132.5 Å²	132.5	83%	0.834	73%	0.734	S	S	*	*			trans	27.2	110.3	140.4	54.2	0	0	0	0	117.6
286	N	34.1	Very low	37.6	Very low	156 Å²	156	137.4 Å²	137.4	83%	0.834	74%	0.74	S	S	*	*			cis	64.2	153.4	41.8	-130.8	30.7	0	0	0	112.8
287	P	41.4	Very low	37.5	Very low	102 Å²	102	136.9 Å²	136.9	66%	0.662	74%	0.737	S	S	*	*				-135.5	137.8	-96.8	38.2	-20.9	0	0	0	114.8
288	E	36.4	Very low	37.9	Very low	179 Å²	179	134.2 Å²	134.2	84%	0.836	73%	0.734	S	S	*	*			trans	-143.2	137.2	-179.8	-106.6	-179.5	179.1	0	0	115.4
289	E	42.3	Very low	37.6	Very low	136 Å²	136	135.3 Å²	135.3	64%	0.636	74%	0.737	S	S	*	*			trans	67	141	149.7	-55.2	-155.8	158.2	0	0	120.5
290	K	40.4	Very low	37.5	Very low	120 Å²	120	134.8 Å²	134.8	52%	0.522	74%	0.738	S	S	.	*			cis	-162	153	-9.2	-122.2	167.5	-170.3	151.7	0	111.1
291	Y	41.2	Very low	37.3	Very low	185 Å²	185	134.2 Å²	134.2	73%	0.725	74%	0.74	S	S	*	*			trans	59.7	143.2	156.7	-58.6	-41.6	0	0	0	119
292	N	42.7	Very low	37.3	Very low	120 Å²	120	133.9 Å²	133.9	64%	0.642	74%	0.738	S	S	*	*			cis	-147.9	131.2	-9.1	-109.9	-31.8	0	0	0	106.9
293	S	39.2	Very low	36.9	Very low	87 Å²	87	135.6 Å²	135.6	61%	0.608	74%	0.737	S	S	*	*				66.5	128.3	83.3	-57.7	0	0	0	0	113.1
294	L	36.3	Very low	37.2	Very low	124 Å²	124	131.5 Å²	131.5	65%	0.649	73%	0.729	S	S	*	*			cis	-169.5	144.3	2.6	-145.9	62.5	0	0	0	110.6
295	K	38.3	Very low	37.2	Very low	158 Å²	158	133.8 Å²	133.8	69%	0.687	74%	0.735	S	S	*	*			trans	64.2	165.5	150.9	-80.1	163.1	-161.2	166.6	0	116.6
296	R	33.7	Very low	37.1	Very low	200 Å²	200	137 Å²	137	76%	0.755	74%	0.738	S	S	*	*			cis	-156	161.4	-13	153	179.5	-74.3	164.6	-9.8	109.1
297	T	34	Very low	37.3	Very low	119 Å²	119	134.1 Å²	134.1	73%	0.73	73%	0.729	S	S	*	*			trans	-64.3	166.8	175.9	42.2	0	0	0	0	115.5
298	Q	37.7	Very low	37.2	Very low	174 Å²	174	138 Å²	138	81%	0.813	74%	0.736	S	S	*	*			trans	123.1	120.3	163.4	-69.9	175.5	-2.1	0	0	111.2
299	S	29.7	Very low	37.4	Very low	106 Å²	106	141 Å²	141	74%	0.741	74%	0.74	S	S	*	*			cis	94.3	70.3	36.2	79.9	0	0	0	0	114.9
300	S	37	Very low	37.2	Very low	110 Å²	110	144.5 Å²	144.5	77%	0.769	75%	0.749	S	S	*	*			trans	-156.5	127.7	155.8	36.3	0	0	0	0	106.8
301	V	33.3	Very low	37.3	Very low	134 Å²	134	146.1 Å²	146.1	81%	0.812	76%	0.763	S	S	*	*				67.8	96.2	60.5	-179.4	0	0	0	0	112.3
302	S	35.3	Very low	37.3	Very low	118 Å²	118	142 Å²	142	83%	0.825	76%	0.761	S	S	*	*			trans	174.7	136.4	134.9	-78.9	0	0	0	0	113
303	S	32.4	Very low	36.9	Very low	114 Å²	114	141 Å²	141	80%	0.797	77%	0.769	S	S	*	*			trans	-108.9	-167.6	162.5	-57.5	0	0	0	0	108.7
304	P	41.1	Very low	37	Very low	122 Å²	122	142.2 Å²	142.2	79%	0.792	77%	0.773	S	S	*	*				-124.1	-165.6	-82.9	39.9	-25.1	0	0	0	112.8
305	S	31.7	Very low	37.2	Very low	110 Å²	110	144.3 Å²	144.3	77%	0.769	78%	0.784	S	S	*	*			trans	71.1	106.9	151.7	-166.2	0	0	0	0	120.5
306	K	41.9	Very low	37.2	Very low	203 Å²	203	141.1 Å²	141.1	88%	0.883	78%	0.782	S	S	*	*			trans	-151.3	163.6	145.5	-67.2	-169.8	-176.8	172.5	0	109.5
307	S	36.9	Very low	37.4	Very low	95 Å²	95	142.1 Å²	142.1	66%	0.664	79%	0.787	S	S	*	*				-166.3	156.7	-79.2	56.1	0	0	0	0	110.8
308	K	40.5	Very low	37.6	Very low	183 Å²	183	139.2 Å²	139.2	80%	0.796	78%	0.781	S	S	*	*			trans	60.2	118.3	160.6	-62.8	175.8	178.9	-179.2	0	120.4
309	R	40.2	Very low	37.6	Very low	244 Å²	244	140 Å²	140	92%	0.921	78%	0.778	S	S	*	*				173.9	99.6	121.3	-91.7	168.5	-160.4	-145.6	5.6	106.4
310	Y	37.5	Very low	38	Very low	209 Å²	209	144.2 Å²	144.2	82%	0.82	78%	0.777	S	S	*	*				49.5	100.3	66.6	-89.5	-78.2	0	0	0	114.5
311	N	43.5	Very low	38.3	Very low	153 Å²	153	147.1 Å²	147.1	82%	0.818	78%	0.779	S	S	*	*			trans	169.7	147.1	130.7	-85.5	-5.6	0	0	0	109.7
312	S	41	Very low	38.7	Very low	99 Å²	99	145 Å²	145	69%	0.692	77%	0.77	S	S	*	*			cis	-171.1	124.8	-17.6	47.2	0	0	0	0	110.7
313	A	34.6	Very low	39	Very low	98 Å²	98	144.6 Å²	144.6	81%	0.81	76%	0.763	S	S	*	*			trans	61.8	168.2	165.2	0	0	0	0	0	116.2
314	T	40.3	Very low	39.2	Very low	114 Å²	114	146.1 Å²	146.1	70%	0.699	76%	0.757	S	S	*	*			cis	-142.2	138.5	7.5	23	0	0	0	0	110.7
315	L	40.4	Very low	39.1	Very low	167 Å²	167	149.9 Å²	149.9	87%	0.874	76%	0.755	S	S	*	*			trans	62	160.8	139.8	-59.5	172.1	0	0	0	118.1
316	S	38.3	Very low	39.3	Very low	91 Å²	91	152.3 Å²	152.3	64%	0.636	76%	0.755	S	S	*	*			cis	-179.7	127.5	-16.3	166.7	0	0	0	0	104.2
317	Y	37.3	Very low	39.4	Very low	222 Å²	222	150.3 Å²	150.3	87%	0.871	75%	0.748	S	S	*	*			cis	-149	-178.9	37.6	-124.4	-157.8	0	0	0	107.9
318	G	39.5	Very low	39.5	Very low	58 Å²	58	153.4 Å²	153.4	60%	0.598	76%	0.756	S	S	*	*			cis	97.8	128.1	24.5	0	0	0	0	0	110.9
319	Y	37.4	Very low	39.4	Very low	190 Å²	190	150.2 Å²	150.2	75%	0.745	76%	0.757	S	S	*	*			cis	-157.4	158.9	-3.2	-161.5	-114	0	0	0	112.7
320	R	37.5	Very low	39.4	Very low	194 Å²	194	144.4 Å²	144.4	73%	0.732	75%	0.751	S	S	*	*			trans	-52.1	163.2	177.8	-53.4	158.4	171.7	-154.4	-6.7	115.6
321	Q	44.6	Very low	39.1	Very low	172 Å²	172	139.8 Å²	139.8	80%	0.804	75%	0.749	S	S	*	*				-176.1	154	112.8	-98.7	167.7	84.3	0	0	111.3
322	S	41.4	Very low	38.8	Very low	89 Å²	89	140.7 Å²	140.7	62%	0.622	75%	0.748	S	S	*	*			cis	-158.8	161.6	-3	51.9	0	0	0	0	112.2
323	T	40.8	Very low	38.3	Very low	109 Å²	109	146.2 Å²	146.2	67%	0.669	75%	0.754	S	S	*	*			trans	23.7	148.7	142.3	58.7	0	0	0	0	121.4
324	Q	36.8	Very low	38.3	Very low	146 Å²	146	145.3 Å²	145.3	68%	0.682	74%	0.742	S	S	*	*			cis	-168.4	169.1	4.7	-110.3	172.5	16.2	0	0	105.3
325	R	38.7	Very low	38.2	Very low	201 Å²	201	148.4 Å²	148.4	76%	0.758	75%	0.748	S	S	*	*			cis	-156.7	172.9	20.7	-123.1	152.7	-162.6	-100.5	4	108.9
326	H	36.5	Very low	37.9	Very low	162 Å²	162	144.1 Å²	144.1	75%	0.75	73%	0.732	S	S	*	*			trans	-71.3	161.3	172.1	-61.2	-102.6	0	0	0	112.4
327	H	43.5	Very low	37.8	Very low	161 Å²	161	150.5 Å²	150.5	75%	0.745	74%	0.742	S	S	*	*				-180	106.2	117.7	-79.3	-52	0	0	0	108.1
328	L	39.7	Very low	38	Very low	159 Å²	159	147.1 Å²	147.1	83%	0.832	73%	0.734	S	S	*	*				69.2	112.3	97.2	-68.8	176.8	0	0	0	114.9
329	S	37.6	Very low	38.1	Very low	116 Å²	116	152.5 Å²	152.5	81%	0.811	74%	0.743	S	S	*	*			trans	-67.6	167.8	172.1	-36.6	0	0	0	0	112.5
330	P	40	Very low	38.1	Very low	122 Å²	122	146.5 Å²	146.5	79%	0.792	74%	0.739	S	S	*	*				-144.5	162.7	100.8	37.6	-23.7	0	0	0	115.7
331	S	31.3	Very low	38.3	Very low	112 Å²	112	143.7 Å²	143.7	78%	0.783	75%	0.745	S	S	*	*			trans	-99.8	120.8	169.2	171.1	0	0	0	0	110.8
332	H	37.3	Very low	37.7	Very low	173 Å²	173	142.6 Å²	142.6	80%	0.801	74%	0.74	S	S	*	*			trans	-157.2	158.9	158.9	-79.3	-36.9	0	0	0	108.7
333	R	31.6	Very low	37.6	Very low	214 Å²	214	150.2 Å²	150.2	81%	0.808	76%	0.755	S	S	*	*			cis	168.9	139.4	-26.2	-154.3	-171.4	-174.7	-176.6	1.6	103.7
334	S	32.8	Very low	37.2	Very low	80 Å²	80	150.2 Å²	150.2	56%	0.559	75%	0.748	S	S	*	*			trans	81.9	151.3	153.4	-48.4	0	0	0	0	121.5
335	H	39.8	Very low	37.1	Very low	178 Å²	178	152.3 Å²	152.3	82%	0.824	75%	0.749	S	S	*	*			trans	83.6	147.3	159.2	-49.5	-65.8	0	0	0	119.7
336	S	33.3	Very low	37.1	Very low	77 Å²	77	147.2 Å²	147.2	54%	0.538	74%	0.744	S	S	.	*			cis	171	126.1	-42.5	154.7	0	0	0	0	111.3
337	R	37.2	Very low	37	Very low	225 Å²	225	149.3 Å²	149.3	85%	0.849	75%	0.746	S	S	*	*			trans	66.5	177.5	157	-66.7	173.1	175.7	-170.5	-2.3	117.4
338	H	39.8	Very low	36.7	Very low	151 Å²	151	146.6 Å²	146.6	70%	0.699	75%	0.745	S	S	*	*			trans	75.4	128.9	178.5	-49	-80.3	0	0	0	114.5
339	H	41.9	Very low	36.3	Very low	172 Å²	172	143.8 Å²	143.8	80%	0.796	74%	0.739	S	S	*	*			cis	-153.3	162.1	-12.9	-104.5	-57.2	0	0	0	109.7
340	G	37.3	Very low	36.1	Very low	64 Å²	64	143.4 Å²	143.4	66%	0.66	74%	0.736	S	S	*	*			trans	-78.2	-172.2	164	0	0	0	0	0	112.4
341	P	42.5	Very low	35.9	Very low	134 Å²	134	143.9 Å²	143.9	87%	0.87	73%	0.728	S	S	*	*				-143.7	168.6	61.8	39.7	-22.6	0	0	0	117.4
342	H	33.1	Very low	35.8	Very low	150 Å²	150	148.4 Å²	148.4	69%	0.694	73%	0.728	S	S	*	*			trans	-83	147.8	170.9	154.1	-87.8	0	0	0	111.8	E344	H342-E344 IonicContact CE1-OE1 3.3Å
343	R	38.2	Very low	35.7	Very low	248 Å²	248	149.8 Å²	149.8	94%	0.936	73%	0.727	S	S	*	*			trans	-144.3	62.8	176.1	-159.9	177	-174.9	169.8	2.3	115.2
344	E	33.2	Very low	35.8	Very low	110 Å²	110	147 Å²	147	51%	0.514	72%	0.724	S	S	.	*				19.2	157.6	127	-142.5	-174.5	-89.5	0	0	123.3	H342	H342-E344 IonicContact CE1-OE1 3.3Å
345	R	33.6	Very low	35.8	Very low	189 Å²	189	149 Å²	149	71%	0.713	74%	0.737	S	S	*	*			trans	82.9	140.1	167.5	-71.6	164	151.1	100.4	-17.2	115.8
346	S	39.5	Very low	35.4	Very low	94 Å²	94	151.8 Å²	151.8	66%	0.657	74%	0.741	S	S	*	*			cis	-142.4	145	6.7	-93.6	0	0	0	0	110.3
347	R	34	Very low	35.4	Very low	206 Å²	206	159.1 Å²	159.1	78%	0.777	76%	0.756	S	S	*	*				54.4	133.4	85	-55.3	177	177.9	-175.3	-3	113.6
348	S	36.6	Very low	35	Very low	105 Å²	105	155 Å²	155	73%	0.734	76%	0.756	S	S	*	*			cis	-140.4	158.9	18.7	-65.3	0	0	0	0	109.8
349	S	31.5	Very low	34.6	Very low	100 Å²	100	152.4 Å²	152.4	70%	0.699	76%	0.755	S	S	*	*			cis	79.3	133.5	27.7	81.9	0	0	0	0	116.6
350	S	34.6	Very low	33.9	Very low	107 Å²	107	149.5 Å²	149.5	75%	0.748	75%	0.75	S	S	*	*			trans	78.2	151.3	-179.8	109.5	0	0	0	0	115.5
351	E	34.2	Very low	33.5	Very low	133 Å²	133	154.8 Å²	154.8	62%	0.621	75%	0.751	S	S	*	*			cis	-165.2	139.2	-14.5	-125	176.7	130.7	0	0	113.1
352	R	30.4	Very low	32.9	Very low	206 Å²	206	158.1 Å²	158.1	78%	0.777	75%	0.746	S	S	*	*			trans	54	176.7	144.4	-72.5	169	174	159	-11.5	120.3
353	Y	34.1	Very low	33	Very low	203 Å²	203	156.4 Å²	156.4	80%	0.796	75%	0.746	S	S	*	*			trans	59	112.9	-178.3	-81.9	-89.9	0	0	0	116.8
354	E	33.4	Very low	32.8	Very low	156 Å²	156	149.4 Å²	149.4	73%	0.729	74%	0.735	S	S	*	*			cis	78.5	96.5	33.8	-163	175.9	-142.6	0	0	114.9
355	S	33.1	Very low	33	Very low	121 Å²	121	149.6 Å²	149.6	85%	0.846	74%	0.74	S	S	*	*			trans	-169.9	141.1	139.7	-89.7	0	0	0	0	113.6
356	R	32.2	Very low	33.3	Very low	237 Å²	237	148.3 Å²	148.3	89%	0.894	74%	0.739	S	S	*	*			trans	-88.2	132.8	164.5	-56.6	169.9	177.2	-179.5	-2.2	109.3
357	R	32.7	Very low	33.6	Very low	231 Å²	231	152.7 Å²	152.7	87%	0.872	75%	0.749	S	S	*	*			trans	174.7	140.9	150.7	-92.5	142.9	-168.5	-133	2.4	107.6
358	T	30	Very low	33.5	Very low	137 Å²	137	150 Å²	150	84%	0.84	75%	0.746	S	S	*	*			cis	66.8	67.5	34.1	76.9	0	0	0	0	115.5
359	S	30.1	Very low	33.5	Very low	97 Å²	97	152.2 Å²	152.2	68%	0.678	75%	0.748	S	S	*	*			trans	-171.5	115.6	155.1	-171.7	0	0	0	0	105.4
360	T	28.3	Very low	33.8	Very low	111 Å²	111	155.4 Å²	155.4	68%	0.681	75%	0.751	S	S	*	*				59.2	142.5	64.9	72.7	0	0	0	0	114.6
361	Y	27.4	Very low	33.9	Very low	176 Å²	176	156 Å²	156	69%	0.69	76%	0.755	S	S	*	*			trans	77.5	110.2	-177.3	-66.7	-103.4	0	0	0	114.9
362	R	31.6	Very low	33.7	Very low	204 Å²	204	158.7 Å²	158.7	77%	0.77	77%	0.765	S	S	*	*				79.2	154.5	92	-69.3	-165.4	-166.3	164.8	-0.2	111.7
363	T	35	Very low	33.8	Very low	113 Å²	113	154 Å²	154	69%	0.693	76%	0.759	S	S	*	*			cis	-157.6	153.9	24.6	-31.5	0	0	0	0	112.4
364	S	33.5	Very low	33.8	Very low	101 Å²	101	153.6 Å²	153.6	71%	0.706	76%	0.757	S	S	*	*			trans	66.4	149.6	157.6	27.1	0	0	0	0	118
365	D	37.7	Very low	33.8	Very low	115 Å²	115	153.8 Å²	153.8	62%	0.615	76%	0.763	S	S	*	*			cis	-144.2	147.6	21.4	-136	-7	0	0	0	114.9
366	K	40.3	Very low	33.7	Very low	161 Å²	161	152 Å²	152	70%	0.7	76%	0.755	S	S	*	*			trans	36.9	127.7	156.6	-64.7	143.8	-166.2	154.7	0	119.6
367	Q	44.7	Very low	34	Very low	186 Å²	186	149.6 Å²	149.6	87%	0.869	75%	0.751	S	S	*	*			cis	-151.8	145.5	11.5	-112.7	166.1	-1	0	0	113
368	H	31.6	Very low	34.2	Very low	151 Å²	151	144.9 Å²	144.9	70%	0.699	75%	0.748	S	S	*	*			trans	-61.4	160.4	165.5	-142.9	43.5	0	0	0	110.1	H370	H368-H370 AromaticContact CE1-CD2 3.79Å
369	I	38	Very low	34.5	Very low	151 Å²	151	147.7 Å²	147.7	77%	0.774	75%	0.749	S	S	*	*				-155.9	143.8	67.7	-77	157.6	0	0	0	110.2
370	H	37.1	Very low	34.8	Very low	167 Å²	167	148.4 Å²	148.4	77%	0.773	75%	0.751	S	S	*	*			trans	-94.1	141.3	165.5	-64.1	-79.2	0	0	0	111.9	H368	H368-H370 AromaticContact CE1-CD2 3.79Å
371	S	35.8	Very low	35	Very low	118 Å²	118	154.1 Å²	154.1	83%	0.825	76%	0.76	S	S	*	*			trans	-143.7	146.8	155	55.3	0	0	0	0	110.9
372	K	31.6	Very low	35.3	Very low	190 Å²	190	156.8 Å²	156.8	83%	0.826	77%	0.771	S	S	*	*			trans	-89	159.3	-175.1	-55.7	164.1	-176.2	172.6	0	109.9
373	T	31.1	Very low	35.3	Very low	108 Å²	108	155.8 Å²	155.8	66%	0.663	77%	0.774	S	S	*	*				159.8	160.3	110.9	45.9	0	0	0	0	114.2
374	Y	34.1	Very low	35.4	Very low	194 Å²	194	155.1 Å²	155.1	76%	0.761	77%	0.766	S	S	*	*			trans	59.4	118.1	167.5	-52.6	-64	0	0	0	118.5
375	L	33.1	Very low	35.7	Very low	160 Å²	160	155.6 Å²	155.6	84%	0.838	77%	0.767	S	S	*	*				65.6	103.8	64.5	-80.2	150.6	0	0	0	114.7
376	A	32.7	Very low	35.8	Very low	83 Å²	83	156.6 Å²	156.6	69%	0.686	77%	0.772	S	S	*	*				171.3	130.2	105.9	0	0	0	0	0	115.9
377	K	37.5	Very low	35.7	Very low	188 Å²	188	154.8 Å²	154.8	82%	0.817	77%	0.77	S	S	*	*			trans	60.1	111.6	137.3	-62.4	174	-179	176.3	0	122.5
378	T	35.9	Very low	35.3	Very low	132 Å²	132	153 Å²	153	81%	0.81	77%	0.767	S	S	*	*			trans	65.8	156.9	132.7	71.2	0	0	0	0	119.2
379	K	37.9	Very low	35.5	Very low	195 Å²	195	150.8 Å²	150.8	85%	0.848	77%	0.766	S	S	*	*			cis	-134.5	171	14.1	-85.1	-171	178.1	-178.4	0	112.7
380	P	35	Very low	35.3	Very low	112 Å²	112	150.4 Å²	150.4	73%	0.727	77%	0.766	S	S	*	*			trans	-106.3	166.6	-172.9	40.7	-35.3	0	0	0	116
381	R	32.9	Very low	35.3	Very low	232 Å²	232	149.4 Å²	149.4	88%	0.875	77%	0.765	S	S	*	*			trans	48.2	126.6	153.3	-69	179.2	-179.5	-175.7	-0.5	119.7
382	Y	33.3	Very low	35.3	Very low	232 Å²	232	152.1 Å²	152.1	91%	0.91	77%	0.765	S	S	*	*				-157.4	163.3	104.5	-104.2	-71.5	0	0	0	110.6
383	H	33.4	Very low	35.3	Very low	183 Å²	183	151.2 Å²	151.2	85%	0.847	76%	0.763	S	S	*	*			trans	-81.9	146.7	178.6	-115.9	-60.7	0	0	0	111.1
384	N	36.2	Very low	35.3	Very low	98 Å²	98	152.7 Å²	152.7	52%	0.524	77%	0.765	S	S	.	*			trans	-120.6	133.7	151.2	-155.7	45.1	0	0	0	106.7	D387	N384-D387 PolarHBondContact ND2-OD2 3.23Å
385	P	39.1	Very low	35	Very low	111 Å²	111	147.9 Å²	147.9	72%	0.721	76%	0.76	S	S	*	*	S	Bend	trans	-91	-14.3	-175.7	34.7	-34.2	0	0	0	114.1	D387	P385-D387 PolarHBondContact O-N 2.9Å
386	D	40.3	Very low	35	Very low	136 Å²	136	151 Å²	151	73%	0.727	76%	0.762	S	S	*	*	S	Bend	trans	-89.5	2.5	-168.6	-55.7	-51.7	0	0	0	114.5
387	D	38.9	Very low	35.2	Very low	123 Å²	123	151.4 Å²	151.4	66%	0.658	76%	0.76	S	S	*	*			trans	-114.4	77.1	-173.8	-68.9	-70.2	0	0	0	112.7	N384 P385	N384-D387 PolarHBondContact ND2-OD2 3.23Å; P385-D387 PolarHBondContact O-N 2.9Å
388	N	35.3	Very low	35	Very low	149 Å²	149	152.6 Å²	152.6	80%	0.797	77%	0.765	S	S	*	*			trans	-156.1	116.2	148	-155.9	50.5	0	0	0	113.3
389	P	37.2	Very low	35	Very low	105 Å²	105	152.5 Å²	152.5	68%	0.682	76%	0.76	S	S	*	*			trans	-84.1	157.2	169.6	36.2	-34.4	0	0	0	111.8
390	D	32.8	Very low	35	Very low	143 Å²	143	152.3 Å²	152.3	77%	0.765	76%	0.755	S	S	*	*	S	Bend	trans	47.5	156.9	148.6	-128.3	-25	0	0	0	122.2
391	L	36.4	Very low	35.3	Very low	145 Å²	145	156.4 Å²	156.4	76%	0.759	77%	0.765	S	S	*	*			trans	51.5	80.4	161.4	-61.5	170.1	0	0	0	117.9
392	H	35.5	Very low	35.5	Very low	176 Å²	176	156.5 Å²	156.5	82%	0.815	77%	0.765	S	S	*	*				-147.5	107.3	127.6	-127.9	-67.1	0	0	0	114
393	E	32	Very low	35.7	Very low	171 Å²	171	155 Å²	155	80%	0.799	76%	0.758	S	S	*	*			trans	-57.2	150	156.1	-53.8	176.4	111.8	0	0	110.2
394	I	31.8	Very low	35.9	Very low	138 Å²	138	154 Å²	154	71%	0.708	75%	0.753	S	S	*	*				171	113.2	127.4	-85.5	152.6	0	0	0	109.9
395	S	28.6	Very low	36.1	Very low	93 Å²	93	157 Å²	157	65%	0.65	77%	0.768	S	S	*	*			trans	65.9	160.7	159.6	-58.2	0	0	0	0	119.6
396	Y	31.9	Very low	35.7	Very low	226 Å²	226	162.5 Å²	162.5	89%	0.886	77%	0.774	S	S	*	*			trans	63.7	118.6	-178	-46.6	-82.2	0	0	0	113.3
397	S	37.2	Very low	35.4	Very low	92 Å²	92	163.4 Å²	163.4	64%	0.643	78%	0.779	S	S	*	*			cis	-148	55.3	29.1	-67.5	0	0	0	0	114.3	N399	S397-N399 VanDerWaalsContact C-N 3.29Å; S397-N399 PolarHBondContact O-N 3.49Å
398	K	33.4	Very low	35.5	Very low	212 Å²	212	162.8 Å²	162.8	92%	0.922	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	83	166.4	-75	-175.1	178.1	177.2	0	111.2
399	N	36.8	Very low	35.2	Very low	131 Å²	131	163.8 Å²	163.8	70%	0.701	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-176.7	-13.9	162.4	-101.2	-39.9	0	0	0	116	S397 E401	S397-N399 VanDerWaalsContact C-N 3.29Å; S397-N399 PolarHBondContact O-N 3.49Å; N399-E401 PolarHBondContact O-N 2.97Å
400	Y	37.3	Very low	35	Very low	191 Å²	191	163.7 Å²	163.7	75%	0.749	79%	0.791	S	S	*	*	G	3₁₀ helix	trans	-72.6	-21.6	-164.1	-118.7	-82.7	0	0	0	115.8	R402	Y400-R402 PolarHBondContact O-N 3.05Å
401	E	40.1	Very low	35.2	Very low	197 Å²	197	162.3 Å²	162.3	92%	0.921	79%	0.788	S	S	*	*	G	3₁₀ helix	trans	-92.2	19.9	-168.9	-155.8	165.9	-138	0	0	114.4	N399	N399-E401 PolarHBondContact O-N 2.97Å
402	R	37.2	Very low	35.1	Very low	235 Å²	235	164.4 Å²	164.4	89%	0.887	79%	0.791	S	S	*	*	G	3₁₀ helix	trans	-143.4	29.3	-174.1	-151.7	176.5	-78.9	-153.2	-3.2	115.4	Y400	Y400-R402 PolarHBondContact O-N 3.05Å
403	R	37.5	Very low	35.1	Very low	200 Å²	200	167.2 Å²	167.2	76%	0.755	79%	0.794	S	S	*	*	S	Bend	trans	-139.3	14.6	-175.4	-71.1	-163.4	179.2	-157.4	0.3	118.1
404	H	39.3	Very low	35.1	Very low	161 Å²	161	168.1 Å²	168.1	75%	0.745	80%	0.798	S	S	*	*	S	Bend	trans	-116.4	6.4	-179	-77.1	-65.3	0	0	0	116.4
405	I	39.2	Very low	35.2	Very low	163 Å²	163	165 Å²	165	84%	0.836	80%	0.8	S	S	*	*	S	Bend	trans	-135.6	49.9	179.9	-38.3	-179.6	0	0	0	112.7
406	R	32	Very low	35.4	Very low	226 Å²	226	166.4 Å²	166.4	85%	0.853	81%	0.81	S	S	*	*	S	Bend	trans	178.6	162.8	154.6	-101.1	155.1	-175	162.4	3.5	108.7
407	D	34	Very low	35.4	Very low	155 Å²	155	158.9 Å²	158.9	83%	0.829	80%	0.802	S	S	*	*			trans	67.1	124.5	-175.2	-52.8	-14.2	0	0	0	113.4
408	S	39.1	Very low	35.4	Very low	109 Å²	109	161 Å²	161	76%	0.762	80%	0.804	S	S	*	*			cis	-150	137.7	0.1	-81.7	0	0	0	0	112.5
409	N	30.9	Very low	35.3	Very low	170 Å²	170	159 Å²	159	91%	0.909	80%	0.798	S	S	*	*			trans	-70.8	119.6	150.3	-73.2	-44.7	0	0	0	108.2
410	S	33	Very low	35.3	Very low	104 Å²	104	163.8 Å²	163.8	73%	0.727	81%	0.806	S	S	*	*			trans	165.1	109.2	140.7	-171.4	0	0	0	0	114.7
411	T	35.4	Very low	35.2	Very low	113 Å²	113	164.5 Å²	164.5	69%	0.693	81%	0.807	S	S	*	*				55.2	96.8	124.5	-29.2	0	0	0	0	122.9
412	K	34.2	Very low	35.1	Very low	190 Å²	190	162.1 Å²	162.1	83%	0.826	80%	0.796	S	S	*	*			trans	57.3	148.3	132.7	-58.1	-177.3	179.2	-179.8	0	123
413	R	36.7	Very low	35.1	Very low	234 Å²	234	157.3 Å²	157.3	88%	0.883	79%	0.788	S	S	*	*			trans	98.1	139.3	158.7	-57	179.4	-171.3	-132.4	2.3	114.8
414	H	32.2	Very low	35.3	Very low	190 Å²	190	154.3 Å²	154.3	88%	0.88	79%	0.786	S	S	*	*			cis	170.1	144.9	-24.2	-115.2	-70.1	0	0	0	105.2
415	G	33.2	Very low	35.1	Very low	72 Å²	72	154.6 Å²	154.6	74%	0.742	79%	0.787	S	S	*	*			trans	108.1	111.8	176.1	0	0	0	0	0	112.5
416	S	33.7	Very low	35	Very low	123 Å²	123	151.4 Å²	151.4	86%	0.86	78%	0.78	S	S	*	*			cis	97.6	122.3	24.2	-164.7	0	0	0	0	114.1
417	G	32.1	Very low	35.3	Very low	69 Å²	69	148.2 Å²	148.2	71%	0.711	78%	0.778	S	S	*	*			trans	135.2	138	172.1	0	0	0	0	0	115.4
418	I	36.5	Very low	35.4	Very low	136 Å²	136	145.7 Å²	145.7	70%	0.697	77%	0.773	S	S	*	*				-167.8	132.2	-58.3	-99.4	162.8	0	0	0	110
419	H	31.7	Very low	35.5	Very low	170 Å²	170	145.9 Å²	145.9	79%	0.787	77%	0.772	S	S	*	*			trans	57.7	164.1	167.4	-66.6	-35	0	0	0	118.1
420	R	37.2	Very low	35.7	Very low	231 Å²	231	143.6 Å²	143.6	87%	0.872	77%	0.769	S	S	*	*			cis	-125.8	148	14.9	-69.8	175.6	179	-171.6	-1.4	110.3
421	R	34.5	Very low	35.9	Very low	207 Å²	207	143.2 Å²	143.2	78%	0.781	76%	0.764	S	S	*	*				63.6	133.3	72.9	-107.9	-172	-162.6	-152.7	6.3	111.6
422	E	38.2	Very low	35.7	Very low	147 Å²	147	148 Å²	148	69%	0.687	77%	0.769	S	S	*	*			cis	-152.5	151.6	35.8	-65.8	-167.3	150.1	0	0	116.2
423	N	37	Very low	35.5	Very low	133 Å²	133	145.3 Å²	145.3	71%	0.711	76%	0.763	S	S	*	*			trans	51.3	163.6	141.1	-46.6	-20	0	0	0	121.2
424	I	40.4	Very low	35.4	Very low	138 Å²	138	139.8 Å²	139.8	71%	0.708	76%	0.76	S	S	*	*			cis	-137.3	149.1	13.5	-63.6	169.3	0	0	0	110.4
425	E	36.6	Very low	35.4	Very low	167 Å²	167	137.8 Å²	137.8	78%	0.78	75%	0.749	S	S	*	*			trans	44.7	122.4	161.5	-68.4	158.6	166.8	0	0	120.6
426	S	36.5	Very low	35.3	Very low	96 Å²	96	140.8 Å²	140.8	67%	0.671	74%	0.743	S	S	*	*				69.9	137.3	64.9	100.5	0	0	0	0	113.1
427	L	38.7	Very low	35.6	Very low	158 Å²	158	145.1 Å²	145.1	83%	0.827	75%	0.747	S	S	*	*			cis	-136.4	166.7	29.6	-66.1	162.6	0	0	0	110.5
428	S	35.8	Very low	35.5	Very low	103 Å²	103	150.5 Å²	150.5	72%	0.72	75%	0.746	S	S	*	*			cis	-167.4	166.9	-23.4	59.5	0	0	0	0	107
429	P	41.2	Very low	35.3	Very low	113 Å²	113	149.9 Å²	149.9	73%	0.734	74%	0.74	S	S	*	*			trans	-105.6	171.1	-160.1	39.5	-35.4	0	0	0	115.1
430	S	35.3	Very low	35.3	Very low	122 Å²	122	146.9 Å²	146.9	85%	0.853	73%	0.73	S	S	*	*			trans	-147.2	148.6	146.9	-89.1	0	0	0	0	115
431	P	37	Very low	35	Very low	96 Å²	96	145.3 Å²	145.3	62%	0.623	73%	0.725	S	S	*	*			trans	-145.5	-157.5	-155.4	35.6	-8.8	0	0	0	114.2
432	R	30.1	Very low	34.8	Very low	213 Å²	213	141.7 Å²	141.7	80%	0.804	72%	0.717	S	S	*	*			trans	75.2	115.4	148.7	-72.5	171.3	-177.3	169	0.3	121
433	I	30.1	Very low	34.4	Very low	134 Å²	134	140.6 Å²	140.6	69%	0.687	72%	0.722	S	S	*	*				57.1	105.1	121.3	-52.4	163.6	0	0	0	117.8	K435	I433-K435 HydrophobicContact CG2-CD 4.33Å; I433-K435 HydrophobicContact CG2-CG 3.93Å
434	S	34.6	Very low	34.1	Very low	118 Å²	118	140.1 Å²	140.1	83%	0.825	72%	0.716	S	S	*	*				-163.5	137.8	126.9	-157.8	0	0	0	0	108.8
435	K	33.9	Very low	33.6	Very low	148 Å²	148	143 Å²	143	64%	0.643	73%	0.726	S	S	*	*			cis	172.2	140.6	-27	-118.6	-179.2	170.7	-173.4	0	104.6	I433	I433-K435 HydrophobicContact CG2-CD 4.33Å; I433-K435 HydrophobicContact CG2-CG 3.93Å
436	H	31	Very low	33.4	Very low	135 Å²	135	141.6 Å²	141.6	63%	0.625	72%	0.719	S	S	*	*			trans	48.6	98.2	159.4	-51.7	-62.5	0	0	0	119.8
437	F	38.6	Very low	33.1	Very low	214 Å²	214	142.8 Å²	142.8	94%	0.939	73%	0.727	S	S	*	*				-148.7	128.9	99.5	-81.7	-89.5	0	0	0	105.5
438	R	29.8	Very low	32.8	Very low	182 Å²	182	141 Å²	141	69%	0.687	72%	0.724	S	S	*	*			cis	52.9	108.8	10.3	-121	-155.2	-176.6	-134.1	3.8	111.6
439	E	33	Very low	32.3	Very low	123 Å²	123	144.6 Å²	144.6	58%	0.575	72%	0.721	S	S	*	*				-167.8	150.5	57.6	-97.6	-172.3	-164	0	0	114
440	N	32.8	Very low	32	Very low	106 Å²	106	147.5 Å²	147.5	57%	0.567	73%	0.725	S	S	*	*			trans	56.3	150.3	150.8	-35.7	-28.3	0	0	0	118
441	Y	30.9	Very low	31.7	Very low	198 Å²	198	148.3 Å²	148.3	78%	0.776	72%	0.715	S	S	*	*			cis	-132	136.1	7.2	-89.6	-91.2	0	0	0	109.3
442	E	30	Very low	31.5	Very low	132 Å²	132	149.8 Å²	149.8	62%	0.617	72%	0.722	S	S	*	*				66.2	122	97.9	-163.2	-177.9	-118.4	0	0	116.3	Q444	E442-Q444 PolarHBondContact OE2-NE2 3.18Å
443	P	29.3	Very low	31.5	Very low	123 Å²	123	146.4 Å²	146.4	80%	0.799	72%	0.72	S	S	*	*			trans	-86.9	113.4	176.7	33.6	-31.9	0	0	0	112.4
444	Q	30.7	Very low	31.6	Very low	124 Å²	124	146.9 Å²	146.9	58%	0.579	72%	0.724	S	S	*	*			trans	-101	117.5	178.5	-71.8	-173.4	-7.7	0	0	113.8	E442 H446	E442-Q444 PolarHBondContact OE2-NE2 3.18Å; Q444-H446 WeakPolarHBondContact CB-NE2 3.47Å; Q444-H446 PolarHBondContact O-N 3.13Å; Q444-H446 PolarHBondContact OE1-CE1 3.17Å; Q444-H446 PolarHBondContact OE1-NE2 3.43Å
445	H	29.1	Very low	31.2	Very low	198 Å²	198	148.9 Å²	148.9	92%	0.917	73%	0.725	S	S	*	*			trans	-71.4	104.7	164.2	-86.9	-97.9	0	0	0	110.3
446	H	32.2	Very low	31	Very low	138 Å²	138	147.3 Å²	147.3	64%	0.639	73%	0.73	S	S	*	*			trans	-104.8	100.8	174.1	-74.7	-47.1	0	0	0	112.7	Q444 T448	Q444-H446 WeakPolarHBondContact CB-NE2 3.47Å; Q444-H446 PolarHBondContact O-N 3.13Å; Q444-H446 PolarHBondContact OE1-CE1 3.17Å; Q444-H446 PolarHBondContact OE1-NE2 3.43Å; H446-T448 PolarHBondContact O-N 3.4Å
447	S	30.8	Very low	30.9	Very low	120 Å²	120	150.5 Å²	150.5	84%	0.839	74%	0.742	S	S	*	*			trans	-80.2	92.8	167.6	-176.1	0	0	0	0	109.8	R449	S447-R449 PolarHBondContact O-N 3.09Å
448	T	32.9	Very low	30.5	Very low	122 Å²	122	145.2 Å²	145.2	75%	0.748	73%	0.732	S	S	*	*			trans	-87.2	101.7	-177.9	-57.7	0	0	0	0	111.6	H446	H446-T448 PolarHBondContact O-N 3.4Å
449	R	25.1	Very low	30.4	Very low	177 Å²	177	146 Å²	146	67%	0.668	74%	0.743	S	S	*	*			trans	-102.1	102.3	179.7	174.1	-174.8	173	-79.2	1.9	111.3	S447 Q451	S447-R449 PolarHBondContact O-N 3.09Å; R449-Q451 HydrophobicContact CG-CG 4.3Å; R449-Q451 VanDerWaalsContact CZ-CD 3.49Å
450	Q	34.7	Very low	30.3	Very low	175 Å²	175	145.1 Å²	145.1	82%	0.818	75%	0.75	S	S	*	*			trans	-134.4	113.8	159.1	-60.2	-171	24.8	0	0	106.4
451	Q	28.5	Very low	30.1	Very low	139 Å²	139	147 Å²	147	65%	0.65	76%	0.76	S	S	*	*			cis	67.2	63.8	39.9	-71.3	-142.3	-71.1	0	0	116	R449	R449-Q451 HydrophobicContact CG-CG 4.3Å; R449-Q451 VanDerWaalsContact CZ-CD 3.49Å
452	V	33.5	Very low	30.3	Very low	127 Å²	127	145.3 Å²	145.3	77%	0.77	76%	0.763	S	S	*	*			trans	-162.1	144.4	135	-92.4	0	0	0	0	107.4
453	N	31	Very low	30.6	Very low	142 Å²	142	145.8 Å²	145.8	76%	0.759	77%	0.765	S	S	*	*			cis	-148.7	177.8	-9.1	-129.4	-21	0	0	0	110.9
454	N	30.2	Very low	31	Very low	144 Å²	144	145 Å²	145	77%	0.77	76%	0.76	S	S	*	*			trans	-79	149.8	-170.6	-55.2	-75.4	0	0	0	115.3
455	L	27.1	Very low	31.3	Very low	159 Å²	159	145.5 Å²	145.5	83%	0.832	77%	0.774	S	S	*	*			trans	7.1	124.7	138.6	-172.6	63	0	0	0	116.5
456	P	29.3	Very low	31.5	Very low	116 Å²	116	142.8 Å²	142.8	75%	0.753	77%	0.765	S	S	*	*				-149.9	-178.5	89.9	41.7	-24.2	0	0	0	117.7
457	K	28.4	Very low	31.7	Very low	202 Å²	202	142.5 Å²	142.5	88%	0.878	77%	0.768	S	S	*	*			trans	-74.2	129.3	178.8	-56.5	161.8	179.2	171.8	0	112.5
458	S	31.3	Very low	31.9	Very low	103 Å²	103	142.7 Å²	142.7	72%	0.72	77%	0.766	S	S	*	*			trans	-162.9	124.5	151.7	49.5	0	0	0	0	106.6
459	Q	27.1	Very low	32.3	Very low	198 Å²	198	144.4 Å²	144.4	93%	0.925	76%	0.763	S	S	*	*				48.9	88.1	66.7	-78.4	-163.3	-63.4	0	0	114
460	S	32.4	Very low	32.6	Very low	104 Å²	104	146.5 Å²	146.5	73%	0.727	77%	0.771	S	S	*	*			trans	-163.7	127.9	141.5	45.1	0	0	0	0	110.1
461	D	26.9	Very low	32.8	Very low	146 Å²	146	145 Å²	145	78%	0.781	77%	0.769	S	S	*	*			trans	-74.4	140.5	171.6	-53.1	-89.8	0	0	0	110.4
462	I	36.1	Very low	33.1	Very low	162 Å²	162	149 Å²	149	83%	0.831	78%	0.778	S	S	*	*			trans	-127.1	97.7	163.8	-57.3	-176.9	0	0	0	107.9
463	H	36	Very low	33.2	Very low	143 Å²	143	154.6 Å²	154.6	66%	0.662	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-71.2	159.5	175.7	-80.5	-91.5	0	0	0	112.2
464	P	38	Very low	33.4	Very low	107 Å²	107	152.5 Å²	152.5	70%	0.695	78%	0.782	S	S	*	*	S	Bend	trans	-57.8	152.6	156.5	28.4	-35.1	0	0	0	110.9
465	P	37.1	Very low	33.9	Very low	134 Å²	134	150.7 Å²	150.7	87%	0.87	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-67.1	150.4	-164	25.9	-35.4	0	0	0	114.5
466	L	33.3	Very low	34.4	Very low	141 Å²	141	149.6 Å²	149.6	74%	0.738	77%	0.771	S	S	*	*			trans	-137.5	134.9	-173.1	-100.3	175.5	0	0	0	113.4
467	L	35.3	Very low	34.9	Very low	131 Å²	131	151.7 Å²	151.7	69%	0.686	77%	0.771	S	S	*	*			trans	70.9	156.8	167.4	-49.8	177	0	0	0	114.8	K469	L467-K469 HydrophobicContact CB-CG 4.34Å
468	P	36.3	Very low	35.5	Very low	125 Å²	125	147.5 Å²	147.5	81%	0.812	76%	0.762	S	S	*	*			cis	-83.9	138.1	39.5	-12.1	30.6	0	0	0	113.9
469	K	40.1	Very low	35.9	Very low	157 Å²	157	151.2 Å²	151.2	68%	0.683	77%	0.767	S	S	*	*				87.6	108.6	54.7	-75.4	177.5	-178.5	175	0	114.1	L467	L467-K469 HydrophobicContact CB-CG 4.34Å
470	R	33.2	Very low	36.4	Very low	222 Å²	222	148.6 Å²	148.6	84%	0.838	76%	0.76	S	S	*	*			trans	62.7	153.7	141.3	-79.7	176.8	168.1	90.5	-7.3	118
471	D	37.5	Very low	36.9	Very low	144 Å²	144	148.7 Å²	148.7	77%	0.77	76%	0.761	S	S	*	*			cis	-137.9	178.6	27.5	-135.3	-27.4	0	0	0	117.3
472	R	34.6	Very low	37.3	Very low	223 Å²	223	146.4 Å²	146.4	84%	0.842	76%	0.756	S	S	*	*			trans	-125.2	130.9	-179	-74.8	175.3	166.1	171.3	-5.9	112.3
473	R	36.2	Very low	37.3	Very low	243 Å²	243	144.5 Å²	144.5	92%	0.917	76%	0.757	S	S	*	*			trans	-179.7	134	139.8	-99.4	152.3	-173	-137.9	-1.9	108.9
474	S	35.9	Very low	37.4	Very low	98 Å²	98	143.7 Å²	143.7	69%	0.685	76%	0.764	S	S	*	*				81.5	130.3	78.5	-149	0	0	0	0	111
475	T	39.7	Very low	37.2	Very low	107 Å²	107	143.1 Å²	143.1	66%	0.656	76%	0.763	S	S	*	*			cis	-167.6	143.6	3.4	1.8	0	0	0	0	111.7
476	N	38.4	Very low	37.3	Very low	136 Å²	136	148 Å²	148	73%	0.727	76%	0.764	S	S	*	*			trans	56.3	-171.6	146.5	-60.2	5.5	0	0	0	120.6
477	E	39.9	Very low	37.3	Very low	160 Å²	160	150.6 Å²	150.6	75%	0.748	77%	0.769	S	S	*	*			trans	59.2	87.9	-174.4	-42.9	-46.2	102.2	0	0	115
478	V	39.6	Very low	37.2	Very low	114 Å²	114	149.3 Å²	149.3	69%	0.691	77%	0.771	S	S	*	*				66.3	103.5	63.7	-174	0	0	0	0	114
479	H	41.1	Very low	37	Very low	180 Å²	180	148.6 Å²	148.6	83%	0.833	77%	0.765	S	S	*	*				-170.5	147.1	121	-115	-76.4	0	0	0	113.8
480	D	37.9	Very low	36.7	Very low	144 Å²	144	147.9 Å²	147.9	77%	0.77	77%	0.769	S	S	*	*			trans	-69.4	153.6	167.7	-70.9	-78	0	0	0	113
481	S	41	Very low	36.7	Very low	106 Å²	106	142.1 Å²	142.1	74%	0.741	76%	0.762	S	S	*	*				177.3	137	108.9	43.2	0	0	0	0	116.2
482	S	36.7	Very low	36.3	Very low	98 Å²	98	142.4 Å²	142.4	69%	0.685	76%	0.762	S	S	*	*			trans	42.9	103.6	145.2	63.1	0	0	0	0	122.6
483	S	35.1	Very low	36.3	Very low	122 Å²	122	137.7 Å²	137.7	85%	0.853	76%	0.76	S	S	*	*				73.7	155.8	113.5	-60.1	0	0	0	0	122.2
484	P	38.6	Very low	35.8	Very low	125 Å²	125	131.5 Å²	131.5	81%	0.812	75%	0.749	S	S	*	*			trans	-114.8	159.1	-159.9	41.2	-31.1	0	0	0	115.7
485	S	34.1	Very low	35.5	Very low	96 Å²	96	132.6 Å²	132.6	67%	0.671	76%	0.756	S	S	*	*			trans	-160.5	114.3	165	-176.7	0	0	0	0	114.5
486	R	38.2	Very low	35	Very low	236 Å²	236	133.7 Å²	133.7	89%	0.891	76%	0.756	S	S	*	*			trans	65.5	161.4	151.3	-60.9	169.3	-168.8	-144.6	-0.6	118.7
487	K	33.9	Very low	34.5	Very low	195 Å²	195	135.6 Å²	135.6	85%	0.848	76%	0.761	S	S	*	*			cis	170.3	97.7	-34.4	173.5	-174.1	-179.9	-176.8	0	107.8
488	S	33.2	Very low	34.1	Very low	104 Å²	104	133.5 Å²	133.5	73%	0.727	76%	0.764	S	S	*	*			trans	-162.7	127.3	158.4	-147.8	0	0	0	0	115.1
489	T	33.2	Very low	33.5	Very low	110 Å²	110	131.2 Å²	131.2	68%	0.675	76%	0.757	S	S	*	*			trans	36	127.7	139.7	56	0	0	0	0	123.4
490	N	33.4	Very low	33.2	Very low	143 Å²	143	130.5 Å²	130.5	77%	0.765	75%	0.754	S	S	*	*			trans	79.4	78.8	134.6	-58.3	7.5	0	0	0	121.3
491	S	32.4	Very low	32.8	Very low	100 Å²	100	132.4 Å²	132.4	70%	0.699	76%	0.757	S	S	*	*				45.6	121.9	117.6	62.9	0	0	0	0	122.7
492	I	28.8	Very low	32.5	Very low	150 Å²	150	132.9 Å²	132.9	77%	0.769	76%	0.758	S	S	*	*			trans	75.5	108.7	153.3	-54.6	165.6	0	0	0	117
493	P	34.1	Very low	32.3	Very low	124 Å²	124	133.4 Å²	133.4	81%	0.805	76%	0.762	S	S	*	*			trans	-92.3	142.2	163	35.1	-30.5	0	0	0	112.6
494	V	26.3	Very low	32.2	Very low	113 Å²	113	133 Å²	133	69%	0.685	76%	0.759	S	S	*	*			trans	-130.2	113.5	159.2	173.9	0	0	0	0	107.9	I496	V494-I496 HydrophobicContact CG1-CD1 4.16Å; V494-I496 HydrophobicContact CG1-CG1 4.38Å
495	C	30.6	Very low	31.6	Very low	121 Å²	121	132.5 Å²	132.5	82%	0.818	76%	0.759	S	S	*	*			trans	-161.6	124.8	158.6	-86.4	0	0	0	0	104.9
496	I	27.7	Very low	31.6	Very low	131 Å²	131	134.2 Å²	134.2	67%	0.672	77%	0.768	S	S	*	*			cis	83.6	128.4	39	-57.2	174.2	0	0	0	112.7	V494	V494-I496 HydrophobicContact CG1-CD1 4.16Å; V494-I496 HydrophobicContact CG1-CG1 4.38Å
497	E	28.7	Very low	31.1	Very low	176 Å²	176	127.2 Å²	127.2	82%	0.822	76%	0.755	S	S	*	*			trans	83.5	149.6	158.8	-90	173.7	135.3	0	0	124.3
498	S	30.4	Very low	30.9	Very low	115 Å²	115	126.1 Å²	126.1	80%	0.804	75%	0.752	S	S	*	*			trans	76.2	138.2	161.7	-61	0	0	0	0	119.8
499	A	28.6	Very low	30.6	Very low	67 Å²	67	126 Å²	126	55%	0.554	75%	0.749	S	S	*	*			cis	-169.7	177	-16.1	0	0	0	0	0	111
500	H	34	Very low	30.4	Very low	165 Å²	165	126.7 Å²	126.7	76%	0.764	76%	0.755	S	S	*	*			trans	80	84.7	157.6	-50.4	-62.3	0	0	0	121.6
501	H	30.1	Very low	30.3	Very low	183 Å²	183	125.2 Å²	125.2	85%	0.847	76%	0.755	S	S	*	*				59.7	159.2	111	-70	-63	0	0	0	123.3
502	P	34.4	Very low	30.1	Very low	117 Å²	117	128.7 Å²	128.7	76%	0.76	77%	0.765	S	S	*	*			trans	-119	172.6	-152.5	43.3	-33.3	0	0	0	116.2
503	S	31.5	Very low	30.3	Very low	108 Å²	108	128.7 Å²	128.7	76%	0.755	77%	0.765	S	S	*	*			trans	-160.5	139.6	158.3	56.2	0	0	0	0	115.3
504	S	34.8	Very low	30.2	Very low	114 Å²	114	126.5 Å²	126.5	80%	0.797	75%	0.751	S	S	*	*			trans	58	127.4	151.3	54.1	0	0	0	0	122.4
505	S	25.1	Very low	30.8	Very low	115 Å²	115	128.8 Å²	128.8	80%	0.804	75%	0.752	S	S	*	*			trans	-82.7	175	172.8	-33.8	0	0	0	0	114.2
506	P	33.6	Very low	31.2	Very low	132 Å²	132	127.2 Å²	127.2	86%	0.857	74%	0.736	S	S	*	*				-128.1	170.4	122.2	37.9	-32.3	0	0	0	113.7
507	S	27.8	Very low	31.9	Very low	89 Å²	89	126.8 Å²	126.8	62%	0.622	73%	0.729	S	S	*	*			trans	-110	175	-169.9	48.9	0	0	0	0	114.8
508	H	30	Very low	32.4	Very low	172 Å²	172	122.2 Å²	122.2	80%	0.796	71%	0.71	S	S	*	*			trans	82.2	145.8	170.1	-46.1	-76.5	0	0	0	117.9
509	P	27.8	Very low	32.8	Very low	100 Å²	100	122.8 Å²	122.8	65%	0.649	69%	0.694	S	S	*	*			cis	-116.6	163.6	-29.4	38.4	-26.9	0	0	0	112	C511	P509-C511 PolarHBondContact O-N 3.37Å
510	P	28.2	Very low	33.6	Very low	125 Å²	125	123.7 Å²	123.7	81%	0.812	69%	0.686	S	S	*	*			trans	-73.2	100.1	174.9	30.1	-33.4	0	0	0	110.7	L512	P510-L512 PolarHBondContact O-N 3.01Å
511	C	30.8	Very low	34	Very low	112 Å²	112	121.4 Å²	121.4	76%	0.757	68%	0.679	S	S	*	*			trans	-59.6	126	164.8	-71.6	0	0	0	0	109.3	P509 L513	P509-C511 PolarHBondContact O-N 3.37Å; C511-L513 PolarHBondContact O-N 3.39Å
512	L	29.1	Very low	34.7	Very low	174 Å²	174	119.3 Å²	119.3	91%	0.911	67%	0.669	S	S	*	*			trans	-67.1	96.5	178.5	-67	169.1	0	0	0	109.5	P510	P510-L512 PolarHBondContact O-N 3.01Å
513	L	31.9	Very low	35.1	Very low	149 Å²	149	115.7 Å²	115.7	78%	0.78	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-60.1	134.7	166.3	-70	171.6	0	0	0	108.7	C511 K515	C511-L513 PolarHBondContact O-N 3.39Å; L513-K515 PolarHBondContact O-N 3.27Å
514	P	33.7	Very low	35.9	Very low	79 Å²	79	113.3 Å²	113.3	51%	0.513	63%	0.629	S	S	.	*	P	Polyproline II helix	trans	-51.9	141.3	166.6	-23.8	33.8	0	0	0	109.5	D518	P514-D518 HydrophobicContact CB-CB 4.34Å
515	K	37.1	Very low	36.5	Very low	161 Å²	161	113.3 Å²	113.3	70%	0.7	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-67.6	148	-179.4	-66.4	176.5	-179.4	172.6	0	108	L513 K517 D518	L513-K515 PolarHBondContact O-N 3.27Å; K515-K517 PolarHBondContact O-N 3.07Å; K515-D518 PolarHBondContact N-OD2 2.96Å; K515-D518 WeakPolarHBondContact O-CB 3.32Å; K515-D518 PolarHBondContact O-N 3.38Å
516	D	40.5	Very low	37.4	Very low	88 Å²	88	108.7 Å²	108.7	47%	0.471	59%	0.585	S	S	.	*	H	α-helix	trans	-50.8	-28.8	-179.9	-96.7	-52.7	0	0	0	113.5	K520	D516-K520 WeakPolarHBondContact O-CG 3.42Å; D516-K520 PolarHBondContact O-N 2.92Å
517	K	41.3	Very low	38.1	Very low	121 Å²	121	103.7 Å²	103.7	53%	0.526	55%	0.551	S	S	.	*	H	α-helix	trans	-60.4	-42.2	174.1	-62.4	-168.1	174.8	-166.8	0	112.8	K515 K520 L521	K515-K517 PolarHBondContact O-N 3.07Å; K517-K520 PolarHBondContact O-N 3.38Å; K517-L521 WeakPolarHBondContact O-CG 3.39Å; K517-L521 PolarHBondContact O-N 2.81Å
518	D	39.9	Very low	39.1	Very low	81 Å²	81	103 Å²	103	43%	0.433	55%	0.545	S	S	.	.	H	α-helix	trans	-68.2	-42.3	-175.4	-47.6	-34.6	0	0	0	110.1	P514 K515 Q522	P514-D518 HydrophobicContact CB-CB 4.34Å; K515-D518 PolarHBondContact N-OD2 2.96Å; K515-D518 WeakPolarHBondContact O-CB 3.32Å; K515-D518 PolarHBondContact O-N 3.38Å; D518-Q522 WeakPolarHBondContact O-CB 3.45Å; D518-Q522 PolarHBondContact O-N 3.41Å
519	R	38	Very low	40.3	Very low	126 Å²	126	100.4 Å²	100.4	48%	0.475	53%	0.533	S	S	.	.	H	α-helix	trans	-62.9	-48.5	172.9	-82.1	-175.7	164.9	-164.2	-6.2	112.5	L521 Q522 T523 N616	R519-L521 VanDerWaalsContact C-N 3.31Å; R519-L521 PolarHBondContact O-N 3.06Å; R519-Q522 PolarHBondContact O-N 3.02Å; R519-Q522 VanDerWaalsContact O-N 3.1Å; R519-T523 PolarHBondContact O-N 2.93Å; R519-T523 PolarHBondContact O-OG1 3.1Å; R519-N616 PolarHBondContact NH1-OD1 2.96Å
520	K	45.3	Very low	41.3	Very low	87 Å²	87	96.5 Å²	96.5	38%	0.378	51%	0.507	S	S	.	.	H	α-helix	trans	-59.6	-41.3	179.3	-76	-170.7	177.2	-168.3	0	112.1	D516 K517 S524	D516-K520 WeakPolarHBondContact O-CG 3.42Å; D516-K520 PolarHBondContact O-N 2.92Å; K517-K520 PolarHBondContact O-N 3.38Å; K520-S524 WeakPolarHBondContact O-CB 3.41Å; K520-S524 PolarHBondContact O-N 2.93Å; K520-S524 PolarHBondContact O-OG 3.48Å
521	L	43.8	Very low	42.4	Very low	116 Å²	116	94.3 Å²	94.3	61%	0.607	49%	0.488	S	S	*	.	H	α-helix	trans	-60	-47.9	172.8	-72.8	169.5	0	0	0	111.3	K517 R519 T523 S524 H525	K517-L521 WeakPolarHBondContact O-CG 3.39Å; K517-L521 PolarHBondContact O-N 2.81Å; R519-L521 VanDerWaalsContact C-N 3.31Å; R519-L521 PolarHBondContact O-N 3.06Å; L521-T523 PolarHBondContact O-N 2.98Å; L521-S524 PolarHBondContact O-N 3.2Å; L521-S524 PolarHBondContact O-OG 2.94Å; L521-H525 WeakPolarHBondContact O-CB 3.33Å; L521-H525 PolarHBondContact O-N 2.78Å
522	Q	44.8	Very low	43.4	Very low	139 Å²	139	93.2 Å²	93.2	65%	0.65	47%	0.474	S	S	*	.	H	α-helix	trans	-62.6	-41.8	-178.9	-161.2	167.4	25.2	0	0	113.2	D518 R519 H525 A526	D518-Q522 WeakPolarHBondContact O-CB 3.45Å; D518-Q522 PolarHBondContact O-N 3.41Å; R519-Q522 PolarHBondContact O-N 3.02Å; R519-Q522 VanDerWaalsContact O-N 3.1Å; Q522-H525 PolarHBondContact O-N 3Å; Q522-A526 PolarHBondContact O-N 3.24Å; Q522-A526 VanDerWaalsContact O-N 3.07Å
523	T	42.8	Very low	44.1	Very low	41 Å²	41	87.9 Å²	87.9	25%	0.252	46%	0.461	S	S	.	.	H	α-helix	trans	-66.5	-40.5	174.2	-52.2	0	0	0	0	111.8	R519 L521 A526 L527 I618	R519-T523 PolarHBondContact O-N 2.93Å; R519-T523 PolarHBondContact O-OG1 3.1Å; L521-T523 PolarHBondContact O-N 2.98Å; T523-A526 PolarHBondContact O-N 3.26Å; T523-L527 HydrophobicContact CG2-CD1 4.48Å; T523-L527 PolarHBondContact O-N 3.07Å; T523-I618 HydrophobicContact CG2-CB 4.1Å; T523-I618 HydrophobicContact CG2-CD1 4.25Å; T523-I618 HydrophobicContact CG2-CG2 4.01Å
524	S	47.5	Very low	44.8	Very low	59 Å²	59	82.5 Å²	82.5	41%	0.413	43%	0.433	S	S	.	.	H	α-helix	trans	-66.1	-38.6	177.4	71.3	0	0	0	0	112.5	K520 L521 L527 C528	K520-S524 WeakPolarHBondContact O-CB 3.41Å; K520-S524 PolarHBondContact O-N 2.93Å; K520-S524 PolarHBondContact O-OG 3.48Å; L521-S524 PolarHBondContact O-N 3.2Å; L521-S524 PolarHBondContact O-OG 2.94Å; S524-L527 PolarHBondContact O-N 2.84Å; S524-C528 PolarHBondContact O-N 3Å; S524-C528 PolarHBondContact O-SG 2.98Å; S524-C528 VanDerWaalsContact O-SG 3.4Å
525	H	47.2	Very low	45.4	Very low	113 Å²	113	83.8 Å²	83.8	52%	0.523	43%	0.431	S	S	.	.	H	α-helix	trans	-63.6	-46.6	174.9	-164.7	-79	0	0	0	111.5	L521 Q522 L527 C528 E529	L521-H525 WeakPolarHBondContact O-CB 3.33Å; L521-H525 PolarHBondContact O-N 2.78Å; Q522-H525 PolarHBondContact O-N 3Å; H525-L527 VanDerWaalsContact C-N 3.3Å; H525-L527 PolarHBondContact O-N 3.49Å; H525-C528 CarbonylContact O-C 3.57Å; H525-C528 WeakPolarHBondContact O-CB 3.46Å; H525-C528 PolarHBondContact O-N 2.94Å; H525-C528 VanDerWaalsContact O-N 3.12Å; H525-E529 IonicContact CE1-OE1 2.95Å; H525-E529 PolarHBondContact CE1-OE1 3Å; H525-E529 VanDerWaalsContact CE1-OE1 3.3Å; H525-E529 IonicContact CE1-OE2 2.66Å; H525-E529 IonicContact ND1-OE1 3.63Å; H525-E529 IonicContact ND1-OE2 3.57Å; H525-E529 PolarHBondContact ND1-OE2 3Å; H525-E529 PolarHBondContact O-N 3.46Å
526	A	44.3	Very low	45.4	Very low	19 Å²	19	81.7 Å²	81.7	16%	0.157	44%	0.435	C	S	.	.	H	α-helix	trans	-63.9	-33.8	178.2	0	0	0	0	0	112.8	Q522 T523 L530 L623	Q522-A526 PolarHBondContact O-N 3.24Å; Q522-A526 VanDerWaalsContact O-N 3.07Å; T523-A526 PolarHBondContact O-N 3.26Å; A526-L530 WeakPolarHBondContact O-CB 3.35Å; A526-L530 PolarHBondContact O-N 2.81Å; A526-L623 HydrophobicContact CB-CD2 3.78Å
527	L	48.4	Very low	45.3	Very low	27 Å²	27	82.6 Å²	82.6	14%	0.141	44%	0.437	C	S	.	.	H	α-helix	trans	-68.9	-39.7	171.1	-83.7	168.3	0	0	0	112.4	T523 S524 H525 L530 L531 M552 L623	T523-L527 HydrophobicContact CG2-CD1 4.48Å; T523-L527 PolarHBondContact O-N 3.07Å; S524-L527 PolarHBondContact O-N 2.84Å; H525-L527 VanDerWaalsContact C-N 3.3Å; H525-L527 PolarHBondContact O-N 3.49Å; L527-L530 HydrophobicContact CD2-CD2 4.45Å; L527-L530 PolarHBondContact O-N 2.88Å; L527-L531 WeakPolarHBondContact O-CB 3.44Å; L527-L531 VanDerWaalsContact O-CG 3.31Å; L527-L531 WeakPolarHBondContact O-CG 3.5Å; L527-L531 PolarHBondContact O-N 2.78Å; L527-M552 HydrophobicContact CD2-CE 3.64Å; L527-M552 HydrophobicContact CD2-SD 3.92Å; L527-L623 HydrophobicContact CD2-CD1 3.94Å; L527-L623 HydrophobicContact CG-CD1 4.36Å
528	C	49.3	Very low	45.5	Very low	74 Å²	74	84.3 Å²	84.3	50%	0.5	45%	0.451	S	S	.	.	H	α-helix	trans	-63.6	-41.9	172	-71.3	0	0	0	0	111.8	S524 H525 L531 D532	S524-C528 PolarHBondContact O-N 3Å; S524-C528 PolarHBondContact O-SG 2.98Å; S524-C528 VanDerWaalsContact O-SG 3.4Å; H525-C528 CarbonylContact O-C 3.57Å; H525-C528 WeakPolarHBondContact O-CB 3.46Å; H525-C528 PolarHBondContact O-N 2.94Å; H525-C528 VanDerWaalsContact O-N 3.12Å; C528-L531 PolarHBondContact O-N 3.27Å; C528-D532 WeakPolarHBondContact O-CB 3.27Å; C528-D532 PolarHBondContact O-N 3.23Å
529	E	53.9	Low	45.6	Very low	118 Å²	118	81.9 Å²	81.9	55%	0.551	44%	0.439	S	S	*	.	H	α-helix	trans	-64.8	-36.8	174.8	-73.7	173.8	132.9	0	0	112.5	H525 G533	H525-E529 IonicContact CE1-OE1 2.95Å; H525-E529 PolarHBondContact CE1-OE1 3Å; H525-E529 VanDerWaalsContact CE1-OE1 3.3Å; H525-E529 IonicContact CE1-OE2 2.66Å; H525-E529 IonicContact ND1-OE1 3.63Å; H525-E529 IonicContact ND1-OE2 3.57Å; H525-E529 PolarHBondContact ND1-OE2 3Å; H525-E529 PolarHBondContact O-N 3.46Å; E529-G533 PolarHBondContact O-N 3.01Å
530	L	48.7	Very low	46.1	Very low	18 Å²	18	77.8 Å²	77.8	9%	0.094	43%	0.43	C	S	.	.	H	α-helix	trans	-63.9	-49.6	173.4	-175.5	71.5	0	0	0	111.3	A526 L527 D532 G533 L534 L623 L626 S627	A526-L530 WeakPolarHBondContact O-CB 3.35Å; A526-L530 PolarHBondContact O-N 2.81Å; L527-L530 HydrophobicContact CD2-CD2 4.45Å; L527-L530 PolarHBondContact O-N 2.88Å; L530-D532 VanDerWaalsContact C-N 3.33Å; L530-G533 PolarHBondContact O-N 3.47Å; L530-L534 WeakPolarHBondContact O-CG 3.32Å; L530-L534 PolarHBondContact O-N 3.07Å; L530-L623 HydrophobicContact CD2-CD1 4.35Å; L530-L623 HydrophobicContact CD2-CG 4.23Å; L530-L626 HydrophobicContact CD2-CD2 4.46Å; L530-S627 WeakPolarHBondContact CD1-OG 3.26Å
531	L	52.6	Low	46.1	Very low	78 Å²	78	78.4 Å²	78.4	41%	0.408	44%	0.438	S	S	.	.	H	α-helix	trans	-66.4	-34.4	177.9	-69.4	169.5	0	0	0	112.1	L527 C528 L534 K535	L527-L531 WeakPolarHBondContact O-CB 3.44Å; L527-L531 VanDerWaalsContact O-CG 3.31Å; L527-L531 WeakPolarHBondContact O-CG 3.5Å; L527-L531 PolarHBondContact O-N 2.78Å; C528-L531 PolarHBondContact O-N 3.27Å; L531-L534 HydrophobicContact CD2-CD1 4.44Å; L531-L534 PolarHBondContact O-N 3.03Å; L531-K535 WeakPolarHBondContact O-CG 3.37Å
532	D	52.1	Low	46.2	Very low	89 Å²	89	77.7 Å²	77.7	48%	0.476	44%	0.438	S	S	.	.	H	α-helix	trans	-68.1	-34.4	172.9	-88.8	51.6	0	0	0	112.3	C528 L530 L534 K535	C528-D532 WeakPolarHBondContact O-CB 3.27Å; C528-D532 PolarHBondContact O-N 3.23Å; L530-D532 VanDerWaalsContact C-N 3.33Å; D532-L534 VanDerWaalsContact C-N 3.28Å; D532-L534 PolarHBondContact O-N 3.38Å; D532-K535 HydrophobicContact CB-CD 4.44Å; D532-K535 WeakPolarHBondContact O-CB 3.48Å; D532-K535 PolarHBondContact O-N 2.88Å; D532-K535 VanDerWaalsContact OD1-CE 3.25Å; D532-K535 WeakPolarHBondContact OD1-CE 3.48Å; D532-K535 IonicContact OD1-NZ 3Å; D532-K535 PolarHBondContact OD1-NZ 3.39Å; D532-K535 IonicContact OD2-NZ 3.56Å; D532-K535 PolarHBondContact OD2-NZ 3.41Å
533	G	43.6	Very low	46.4	Very low	62 Å²	62	75.3 Å²	75.3	64%	0.639	43%	0.427	S	S	*	.	H	α-helix	trans	-69.9	-19.1	171.4	0	0	0	0	0	114.7	E529 L530	E529-G533 PolarHBondContact O-N 3.01Å; L530-G533 PolarHBondContact O-N 3.47Å
534	L	47	Very low	46.9	Very low	36 Å²	36	75.4 Å²	75.4	19%	0.188	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-2.8	176.9	-68.1	167.7	0	0	0	113.5	L530 L531 D532 C536 I630	L530-L534 WeakPolarHBondContact O-CG 3.32Å; L530-L534 PolarHBondContact O-N 3.07Å; L531-L534 HydrophobicContact CD2-CD1 4.44Å; L531-L534 PolarHBondContact O-N 3.03Å; D532-L534 VanDerWaalsContact C-N 3.28Å; D532-L534 PolarHBondContact O-N 3.38Å; L534-C536 PolarHBondContact O-N 3.44Å; L534-I630 HydrophobicContact CD1-CD1 4.2Å; L534-I630 HydrophobicContact CD2-CD1 4.39Å; L534-I630 HydrophobicContact CD2-CG2 3.69Å
535	K	46.3	Very low	47.1	Very low	106 Å²	106	78.6 Å²	78.6	46%	0.461	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	17.5	-174.5	-71	179	-178.3	169.5	0	116.3	L531 D532	L531-K535 WeakPolarHBondContact O-CG 3.37Å; D532-K535 HydrophobicContact CB-CD 4.44Å; D532-K535 WeakPolarHBondContact O-CB 3.48Å; D532-K535 PolarHBondContact O-N 2.88Å; D532-K535 VanDerWaalsContact OD1-CE 3.25Å; D532-K535 WeakPolarHBondContact OD1-CE 3.48Å; D532-K535 IonicContact OD1-NZ 3Å; D532-K535 PolarHBondContact OD1-NZ 3.39Å; D532-K535 IonicContact OD2-NZ 3.56Å; D532-K535 PolarHBondContact OD2-NZ 3.41Å
536	C	37.2	Very low	47.3	Very low	117 Å²	117	80.5 Å²	80.5	79%	0.791	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122	-7.1	-172.6	-65.1	0	0	0	0	114.8	L534	L534-C536 PolarHBondContact O-N 3.44Å
537	E	38.6	Very low	47.5	Very low	108 Å²	108	81.5 Å²	81.5	51%	0.505	45%	0.45	S	S	.	.	S	Bend	trans	-140.1	139.5	-171.8	-60.7	174.8	158.6	0	0	109.2	V539 M634	E537-V539 PolarHBondContact O-N 3.1Å; E537-M634 HydrophobicContact CB-CE 3.46Å; E537-M634 VanDerWaalsContact CB-CE 3.46Å; E537-M634 HydrophobicContact CG-CE 4.44Å
538	D	45	Very low	47.5	Very low	156 Å²	156	81.9 Å²	81.9	83%	0.834	45%	0.452	S	S	*	.			trans	-78.1	77.7	-170.7	-64.9	-59.8	0	0	0	112.3
539	V	41.9	Very low	47.4	Very low	30 Å²	30	80.7 Å²	80.7	18%	0.182	44%	0.443	C	S	.	.			trans	-80.8	127.3	173.5	-167.4	0	0	0	0	110.2	E537 E543 L544 I547 M634	E537-V539 PolarHBondContact O-N 3.1Å; V539-E543 HydrophobicContact CG1-CB 3.69Å; V539-L544 HydrophobicContact CB-CG 4.43Å; V539-L544 HydrophobicContact CG1-CD2 4.36Å; V539-L544 HydrophobicContact CG1-CG 3.85Å; V539-I547 HydrophobicContact CG1-CD1 4.31Å; V539-M634 HydrophobicContact CG2-CE 3.58Å; V539-M634 HydrophobicContact CG2-SD 3.91Å
540	S	47.5	Very low	46.8	Very low	40 Å²	40	79.5 Å²	79.5	28%	0.28	45%	0.445	S	S	.	.			trans	-71.8	154.1	175.4	66.2	0	0	0	0	112.9	T542 E543 L544	S540-T542 WeakPolarHBondContact CB-OG1 3.29Å; S540-T542 PolarHBondContact O-N 3.11Å; S540-T542 VanDerWaalsContact O-N 3.17Å; S540-T542 PolarHBondContact OG-OG1 3.21Å; S540-E543 VanDerWaalsContact CB-OE2 3.27Å; S540-E543 WeakPolarHBondContact CB-OE2 3.41Å; S540-E543 PolarHBondContact N-OE2 2.94Å; S540-E543 PolarHBondContact O-N 2.85Å; S540-E543 WeakPolarHBondContact OG-CB 3.3Å; S540-E543 VanDerWaalsContact OG-CD 3.29Å; S540-E543 VanDerWaalsContact OG-CG 3.26Å; S540-E543 WeakPolarHBondContact OG-CG 3.38Å; S540-E543 PolarHBondContact OG-N 3.19Å; S540-E543 VanDerWaalsContact OG-N 3.09Å; S540-E543 PolarHBondContact OG-OE2 3.48Å; S540-L544 PolarHBondContact O-N 2.95Å
541	D	45.5	Very low	46.2	Very low	101 Å²	101	81.3 Å²	81.3	54%	0.54	46%	0.46	S	S	.	.	H	α-helix	trans	-55.6	-32.7	172.6	-78.3	-28.3	0	0	0	112	H545	D541-H545 WeakPolarHBondContact O-CB 3.48Å; D541-H545 PolarHBondContact O-N 2.93Å
542	T	46.6	Very low	45.9	Very low	100 Å²	100	78.2 Å²	78.2	61%	0.613	44%	0.443	S	S	*	.	H	α-helix	trans	-66.2	-43.4	173.6	29.3	0	0	0	0	113.2	S540 H545 L546	S540-T542 WeakPolarHBondContact CB-OG1 3.29Å; S540-T542 PolarHBondContact O-N 3.11Å; S540-T542 VanDerWaalsContact O-N 3.17Å; S540-T542 PolarHBondContact OG-OG1 3.21Å; T542-H545 PolarHBondContact O-N 2.82Å; T542-L546 WeakPolarHBondContact O-CG 3.38Å; T542-L546 PolarHBondContact O-N 2.89Å; T542-L546 VanDerWaalsContact O-N 3.1Å
543	E	49	Very low	45.4	Very low	89 Å²	89	75.9 Å²	75.9	42%	0.416	43%	0.43	S	S	.	.	H	α-helix	trans	-69.9	-39.7	175.7	-72.7	160.7	123	0	0	111.1	V539 S540 H545 L546 I547	V539-E543 HydrophobicContact CG1-CB 3.69Å; S540-E543 VanDerWaalsContact CB-OE2 3.27Å; S540-E543 WeakPolarHBondContact CB-OE2 3.41Å; S540-E543 PolarHBondContact N-OE2 2.94Å; S540-E543 PolarHBondContact O-N 2.85Å; S540-E543 WeakPolarHBondContact OG-CB 3.3Å; S540-E543 VanDerWaalsContact OG-CD 3.29Å; S540-E543 VanDerWaalsContact OG-CG 3.26Å; S540-E543 WeakPolarHBondContact OG-CG 3.38Å; S540-E543 PolarHBondContact OG-N 3.19Å; S540-E543 VanDerWaalsContact OG-N 3.09Å; S540-E543 PolarHBondContact OG-OE2 3.48Å; E543-H545 VanDerWaalsContact C-N 3.26Å; E543-H545 PolarHBondContact O-N 3.12Å; E543-L546 CarbonylContact O-C 3.53Å; E543-L546 PolarHBondContact O-N 3.33Å; E543-I547 HydrophobicContact CB-CD1 4.31Å; E543-I547 WeakPolarHBondContact O-CB 3.33Å; E543-I547 WeakPolarHBondContact O-CD1 3.33Å; E543-I547 WeakPolarHBondContact O-CG1 3.43Å; E543-I547 PolarHBondContact O-N 3.2Å
544	L	52.8	Low	44.9	Very low	43 Å²	43	78.2 Å²	78.2	23%	0.225	43%	0.428	C	S	.	.	H	α-helix	trans	-56.5	-40.2	170.6	-78.8	165.2	0	0	0	111.7	V539 S540 L546 I547 L548	V539-L544 HydrophobicContact CB-CG 4.43Å; V539-L544 HydrophobicContact CG1-CD2 4.36Å; V539-L544 HydrophobicContact CG1-CG 3.85Å; S540-L544 PolarHBondContact O-N 2.95Å; L544-L546 VanDerWaalsContact C-N 3.35Å; L544-L546 PolarHBondContact O-N 3.23Å; L544-I547 PolarHBondContact O-N 3.3Å; L544-L548 HydrophobicContact CB-CD1 4.32Å; L544-L548 HydrophobicContact CD2-CD1 4.16Å; L544-L548 VanDerWaalsContact O-CB 3.25Å; L544-L548 WeakPolarHBondContact O-CB 3.38Å; L544-L548 WeakPolarHBondContact O-CG 3.36Å; L544-L548 PolarHBondContact O-N 3.36Å
545	H	52.2	Low	44.2	Very low	126 Å²	126	79 Å²	79	58%	0.583	43%	0.434	S	S	*	.	H	α-helix	trans	-68.5	-28.3	175.1	-115.8	86.3	0	0	0	114.4	D541 T542 E543	D541-H545 WeakPolarHBondContact O-CB 3.48Å; D541-H545 PolarHBondContact O-N 2.93Å; T542-H545 PolarHBondContact O-N 2.82Å; E543-H545 VanDerWaalsContact C-N 3.26Å; E543-H545 PolarHBondContact O-N 3.12Å
546	L	50.9	Low	43.6	Very low	154 Å²	154	80.7 Å²	80.7	81%	0.806	45%	0.448	S	S	*	.	H	α-helix	trans	-82.9	-29.4	175.3	-69.3	168.7	0	0	0	112.5	T542 E543 L544	T542-L546 WeakPolarHBondContact O-CG 3.38Å; T542-L546 PolarHBondContact O-N 2.89Å; T542-L546 VanDerWaalsContact O-N 3.1Å; E543-L546 CarbonylContact O-C 3.53Å; E543-L546 PolarHBondContact O-N 3.33Å; L544-L546 VanDerWaalsContact C-N 3.35Å; L544-L546 PolarHBondContact O-N 3.23Å
547	I	48.1	Very low	43.3	Very low	40 Å²	40	80 Å²	80	21%	0.205	44%	0.444	C	S	.	.	H	α-helix	trans	-81.5	-48.3	-179.1	-77.8	165.6	0	0	0	111.4	V539 E543 L544 P549 L626 I630	V539-I547 HydrophobicContact CG1-CD1 4.31Å; E543-I547 HydrophobicContact CB-CD1 4.31Å; E543-I547 WeakPolarHBondContact O-CB 3.33Å; E543-I547 WeakPolarHBondContact O-CD1 3.33Å; E543-I547 WeakPolarHBondContact O-CG1 3.43Å; E543-I547 PolarHBondContact O-N 3.2Å; L544-I547 PolarHBondContact O-N 3.3Å; I547-P549 WeakPolarHBondContact O-CD 3.24Å; I547-L626 WeakPolarHBondContact O-CD1 3.44Å; I547-I630 HydrophobicContact CD1-CG1 4.28Å; I547-I630 HydrophobicContact CD1-CG2 4.43Å; I547-I630 HydrophobicContact CG1-CG1 4.4Å; I547-I630 HydrophobicContact CG2-CD1 3.48Å; I547-I630 VanDerWaalsContact CG2-CD1 3.48Å; I547-I630 HydrophobicContact CG2-CG1 3.43Å; I547-I630 VanDerWaalsContact CG2-CG1 3.43Å
548	L	49.6	Very low	42.8	Very low	35 Å²	35	78.5 Å²	78.5	18%	0.183	45%	0.445	C	S	.	.	S	Bend	trans	-80	124.3	-172.7	-61.7	170.7	0	0	0	110.1	L544 M552 I553	L544-L548 HydrophobicContact CB-CD1 4.32Å; L544-L548 HydrophobicContact CD2-CD1 4.16Å; L544-L548 VanDerWaalsContact O-CB 3.25Å; L544-L548 WeakPolarHBondContact O-CB 3.38Å; L544-L548 WeakPolarHBondContact O-CG 3.36Å; L544-L548 PolarHBondContact O-N 3.36Å; L548-M552 HydrophobicContact CB-CE 4.35Å; L548-M552 HydrophobicContact CD2-CE 3.47Å; L548-M552 VanDerWaalsContact CD2-CE 3.47Å; L548-M552 HydrophobicContact CG-CE 4.5Å; L548-I553 HydrophobicContact CB-CD1 4.24Å; L548-I553 HydrophobicContact CB-CG1 4.04Å
549	P	45.9	Very low	41.8	Very low	49 Å²	49	79.3 Å²	79.3	32%	0.318	45%	0.45	S	S	.	.			trans	-55.6	136.6	173.5	-26.9	35.6	0	0	0	110.9	I547 S551 M552 L626	I547-P549 WeakPolarHBondContact O-CD 3.24Å; P549-S551 PolarHBondContact O-N 3.47Å; P549-M552 HydrophobicContact CB-CG 4.35Å; P549-M552 PolarHBondContact O-N 2.98Å; P549-L626 HydrophobicContact CG-CD1 4.32Å
550	P	41.7	Very low	41.2	Very low	93 Å²	93	82.7 Å²	82.7	60%	0.604	47%	0.471	S	S	*	.	H	α-helix	trans	-56	-23.6	-177.6	-30	35.9	0	0	0	114.8	M552 I553 N554	P550-M552 VanDerWaalsContact C-N 3.25Å; P550-M552 PolarHBondContact O-N 3.33Å; P550-I553 PolarHBondContact O-N 3.09Å; P550-N554 WeakPolarHBondContact O-CB 3.19Å; P550-N554 PolarHBondContact O-N 2.73Å
551	S	36.2	Very low	40.2	Very low	56 Å²	56	86.7 Å²	86.7	39%	0.392	50%	0.499	S	S	.	.	H	α-helix	trans	-63.1	-26.7	171.8	53.5	0	0	0	0	114	P549 T555	P549-S551 PolarHBondContact O-N 3.47Å; S551-T555 WeakPolarHBondContact O-CG2 3.25Å; S551-T555 PolarHBondContact O-OG1 3.49Å
552	M	45.7	Very low	39.3	Very low	13 Å²	13	87.6 Å²	87.6	6%	0.064	50%	0.503	C	S	.	.	H	α-helix	trans	-84.7	-39.2	175.7	-47.5	-158.2	-37.2	0	0	111.1	L527 L548 P549 P550 T555 L556 I618 L623 L626	L527-M552 HydrophobicContact CD2-CE 3.64Å; L527-M552 HydrophobicContact CD2-SD 3.92Å; L548-M552 HydrophobicContact CB-CE 4.35Å; L548-M552 HydrophobicContact CD2-CE 3.47Å; L548-M552 VanDerWaalsContact CD2-CE 3.47Å; L548-M552 HydrophobicContact CG-CE 4.5Å; P549-M552 HydrophobicContact CB-CG 4.35Å; P549-M552 PolarHBondContact O-N 2.98Å; P550-M552 VanDerWaalsContact C-N 3.25Å; P550-M552 PolarHBondContact O-N 3.33Å; M552-T555 WeakPolarHBondContact CA-OG1 3.2Å; M552-T555 PolarHBondContact O-N 3.28Å; M552-T555 PolarHBondContact O-OG1 2.98Å; M552-L556 VanDerWaalsContact O-CD1 3.24Å; M552-L556 WeakPolarHBondContact O-CD1 3.46Å; M552-I618 HydrophobicContact CG-CD1 4.32Å; M552-L623 HydrophobicContact SD-CD1 4.49Å; M552-L626 HydrophobicContact CE-CD2 3.88Å
553	I	41.5	Very low	38.3	Very low	40 Å²	40	85.1 Å²	85.1	21%	0.205	50%	0.497	C	S	.	.	H	α-helix	trans	-59.4	-49.3	175.7	-57.4	176	0	0	0	109.8	L548 P550 T555 L556	L548-I553 HydrophobicContact CB-CD1 4.24Å; L548-I553 HydrophobicContact CB-CG1 4.04Å; P550-I553 PolarHBondContact O-N 3.09Å; I553-T555 VanDerWaalsContact C-N 3.28Å; I553-T555 PolarHBondContact O-N 3.41Å; I553-L556 PolarHBondContact O-N 3.4Å
554	N	33.7	Very low	37.2	Very low	111 Å²	111	87.3 Å²	87.3	59%	0.594	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-22.4	-179.7	-69.2	-8.2	0	0	0	113.8	P550 L556 S557	P550-N554 WeakPolarHBondContact O-CB 3.19Å; P550-N554 PolarHBondContact O-N 2.73Å; N554-L556 VanDerWaalsContact C-N 3.28Å; N554-L556 PolarHBondContact O-N 3.26Å; N554-S557 PolarHBondContact O-N 3.26Å
555	T	33.1	Very low	35.9	Very low	52 Å²	52	91.1 Å²	91.1	32%	0.319	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-11.8	176.5	42.9	0	0	0	0	114.8	S551 M552 I553	S551-T555 WeakPolarHBondContact O-CG2 3.25Å; S551-T555 PolarHBondContact O-OG1 3.49Å; M552-T555 WeakPolarHBondContact CA-OG1 3.2Å; M552-T555 PolarHBondContact O-N 3.28Å; M552-T555 PolarHBondContact O-OG1 2.98Å; I553-T555 VanDerWaalsContact C-N 3.28Å; I553-T555 PolarHBondContact O-N 3.41Å
556	L	34	Very low	34.7	Very low	142 Å²	142	92.1 Å²	92.1	74%	0.743	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-22.1	174.5	-82.8	77.5	0	0	0	113.1	M552 I553 N554	M552-L556 VanDerWaalsContact O-CD1 3.24Å; M552-L556 WeakPolarHBondContact O-CD1 3.46Å; I553-L556 PolarHBondContact O-N 3.4Å; N554-L556 VanDerWaalsContact C-N 3.28Å; N554-L556 PolarHBondContact O-N 3.26Å
557	S	30.6	Very low	33.4	Very low	103 Å²	103	94.1 Å²	94.1	72%	0.72	56%	0.556	S	S	*	*	S	Bend	trans	-108.9	44.3	-171.4	-61.2	0	0	0	0	113	N554	N554-S557 PolarHBondContact O-N 3.26Å
558	S	26.6	Very low	32.5	Very low	75 Å²	75	99.2 Å²	99.2	52%	0.524	58%	0.583	S	S	.	*	S	Bend	trans	-148.6	124.5	174.7	-73.6	0	0	0	0	112	T560	S558-T560 PolarHBondContact O-N 3.38Å; S558-T560 PolarHBondContact O-OG1 2.8Å; S558-T560 VanDerWaalsContact O-OG1 3.09Å
559	D	25.6	Very low	31.2	Very low	173 Å²	173	104 Å²	104	93%	0.925	61%	0.614	S	S	*	*			trans	-45.6	103.7	-170.7	-68	-62.3	0	0	0	114.4
560	T	27.8	Very low	30.3	Very low	101 Å²	101	108 Å²	108	62%	0.62	64%	0.642	S	S	*	*			trans	-127.9	87	167.3	2.3	0	0	0	0	111.6	S558 L562	S558-T560 PolarHBondContact O-N 3.38Å; S558-T560 PolarHBondContact O-OG1 2.8Å; S558-T560 VanDerWaalsContact O-OG1 3.09Å; T560-L562 HydrophobicContact CG2-CD1 4.12Å; T560-L562 PolarHBondContact O-N 2.96Å
561	S	26.6	Very low	29.5	Very low	125 Å²	125	113.8 Å²	113.8	87%	0.874	66%	0.657	S	S	*	*			trans	-70.4	63.6	166.5	44	0	0	0	0	111.7
562	L	27.8	Very low	29.1	Very low	120 Å²	120	115.9 Å²	115.9	63%	0.628	68%	0.678	S	S	*	*			trans	-128.3	96.4	171.6	-77	169.9	0	0	0	107.2	T560	T560-L562 HydrophobicContact CG2-CD1 4.12Å; T560-L562 PolarHBondContact O-N 2.96Å
563	G	25.6	Very low	28.3	Very low	47 Å²	47	123.6 Å²	123.6	49%	0.485	71%	0.714	S	S	.	*			cis	108.9	81.9	26.2	0	0	0	0	0	107.9	N565	G563-N565 PolarHBondContact O-N 2.88Å; G563-N565 VanDerWaalsContact O-N 3.08Å; G563-N565 PolarHBondContact O-ND2 2.8Å
564	C	25.2	Very low	27.5	Very low	135 Å²	135	130 Å²	130	91%	0.912	75%	0.748	S	S	*	*			trans	-70.2	98.9	175	-63.8	0	0	0	0	108.7	N566	C564-N566 PolarHBondContact O-N 2.84Å
565	N	25.5	Very low	27.3	Very low	124 Å²	124	129.5 Å²	129.5	66%	0.663	75%	0.753	S	S	*	*			trans	-79	101.1	-173	-45.4	-89.9	0	0	0	109.9	G563	G563-N565 PolarHBondContact O-N 2.88Å; G563-N565 VanDerWaalsContact O-N 3.08Å; G563-N565 PolarHBondContact O-ND2 2.8Å
566	N	27.6	Very low	27.1	Very low	146 Å²	146	133.2 Å²	133.2	78%	0.781	78%	0.775	S	S	*	*			trans	-91	141.9	156.2	-78.6	-8.4	0	0	0	109.1	C564 L568	C564-N566 PolarHBondContact O-N 2.84Å; N566-L568 PolarHBondContact O-N 3.43Å
567	E	24.2	Very low	27.1	Very low	196 Å²	196	135.3 Å²	135.3	92%	0.916	78%	0.779	S	S	*	*			trans	-79.3	114.6	-176.2	-63	173.7	103.9	0	0	111.5
568	L	28.5	Very low	27.2	Very low	148 Å²	148	139.6 Å²	139.6	78%	0.775	78%	0.784	S	S	*	*			trans	-137.4	109.7	156.2	-96.6	177.1	0	0	0	111.2	N566	N566-L568 PolarHBondContact O-N 3.43Å
569	T	22.8	Very low	27.5	Very low	135 Å²	135	142.5 Å²	142.5	83%	0.828	79%	0.794	S	S	*	*			trans	-74.7	121	176	50.7	0	0	0	0	111.5
570	C	25.8	Very low	27.7	Very low	134 Å²	134	144.6 Å²	144.6	91%	0.905	79%	0.789	S	S	*	*			trans	-149.3	152.3	156.3	-113.3	0	0	0	0	111.3
571	K	24.8	Very low	28	Very low	213 Å²	213	146.2 Å²	146.2	93%	0.926	79%	0.794	S	S	*	*			trans	-96.1	134.3	-172.6	-59.2	173.9	-175.7	173.6	0	110.7
572	A	28.5	Very low	28.3	Very low	101 Å²	101	145.6 Å²	145.6	84%	0.835	79%	0.789	S	S	*	*			trans	-141.6	76	170.6	0	0	0	0	0	111.2
573	E	27.8	Very low	28.5	Very low	174 Å²	174	145.5 Å²	145.5	81%	0.813	79%	0.794	S	S	*	*			trans	30.8	100.1	155.4	-53.8	-162	140.8	0	0	120.9	S575	E573-S575 PolarHBondContact O-N 3.08Å
574	L	25.7	Very low	28.9	Very low	174 Å²	174	154.7 Å²	154.7	91%	0.911	82%	0.815	S	S	*	*			trans	-59.6	116.8	143.1	-88.8	146.7	0	0	0	109.9	V576	L574-V576 HydrophobicContact CD2-CG2 4.36Å
575	S	29.3	Very low	29.1	Very low	101 Å²	101	154.7 Å²	154.7	71%	0.706	81%	0.806	S	S	*	*			trans	-123	53.9	173.4	51.5	0	0	0	0	112.7	E573 K577	E573-S575 PolarHBondContact O-N 3.08Å; S575-K577 PolarHBondContact O-N 3.19Å
576	V	29.5	Very low	29.5	Very low	130 Å²	130	154.1 Å²	154.1	79%	0.788	81%	0.812	S	S	*	*			trans	-63.2	101.1	166.2	177	0	0	0	0	109.1	L574	L574-V576 HydrophobicContact CD2-CG2 4.36Å
577	K	33.1	Very low	29.8	Very low	187 Å²	187	153.9 Å²	153.9	81%	0.813	81%	0.811	S	S	*	*			trans	-120.8	96	-177.9	-149.1	168.2	-171	175.2	0	112.2	S575 N579	S575-K577 PolarHBondContact O-N 3.19Å; K577-N579 PolarHBondContact O-N 2.93Å
578	K	32.7	Very low	30.6	Very low	193 Å²	193	152.4 Å²	152.4	84%	0.839	81%	0.809	S	S	*	*			trans	-75	114.7	170.1	-82.4	-178.2	173	177.7	0	110.8
579	N	32.7	Very low	30.8	Very low	135 Å²	135	151.3 Å²	151.3	72%	0.722	80%	0.804	S	S	*	*			trans	-123.8	131.7	156.8	-72.9	15.4	0	0	0	104.9	K577	K577-N579 PolarHBondContact O-N 2.93Å
580	R	31	Very low	31.4	Very low	217 Å²	217	152.6 Å²	152.6	82%	0.819	80%	0.804	S	S	*	*			cis	52.6	108.9	17.1	-85.5	-162.8	173.9	162.3	-2.6	112.2
581	D	34.2	Very low	31.9	Very low	136 Å²	136	152.5 Å²	152.5	73%	0.727	80%	0.795	S	S	*	*			cis	-147.3	-168.5	28	-67.4	-55.7	0	0	0	113.4
582	S	32.2	Very low	32.5	Very low	112 Å²	112	147.4 Å²	147.4	78%	0.783	79%	0.786	S	S	*	*			trans	65.8	102.2	-177.6	63.7	0	0	0	0	115.2
583	T	31.4	Very low	32.9	Very low	118 Å²	118	149 Å²	149	72%	0.724	78%	0.78	S	S	*	*				77	97.5	58	-55	0	0	0	0	113.4
584	Y	33.7	Very low	33.3	Very low	239 Å²	239	147.5 Å²	147.5	94%	0.937	78%	0.778	S	S	*	*			trans	-149.4	140.8	130.7	-107.1	-74.6	0	0	0	109.3
585	N	30.6	Very low	33.5	Very low	135 Å²	135	147 Å²	147	72%	0.722	78%	0.776	S	S	*	*			trans	-90.1	146.4	-171	-62.2	-26.9	0	0	0	112.3
586	S	34.4	Very low	33.7	Very low	112 Å²	112	145.7 Å²	145.7	78%	0.783	77%	0.772	S	S	*	*			trans	-149.1	99.1	133	-158.1	0	0	0	0	108.7
587	N	33.2	Very low	33.8	Very low	142 Å²	142	147 Å²	147	76%	0.759	78%	0.775	S	S	*	*			trans	-87.7	119.8	169.1	-69	-19.2	0	0	0	107.7
588	D	40.2	Very low	33.7	Very low	164 Å²	164	143.5 Å²	143.5	88%	0.877	77%	0.773	S	S	*	*			trans	-125.3	101.6	151.3	-88.8	-53.9	0	0	0	107.6
589	N	33	Very low	33.7	Very low	125 Å²	125	142.4 Å²	142.4	67%	0.668	78%	0.777	S	S	*	*			trans	-101.5	130.1	179.6	179.6	68	0	0	0	108.7
590	I	36.6	Very low	33.8	Very low	162 Å²	162	144.6 Å²	144.6	83%	0.831	78%	0.782	S	S	*	*			trans	-159.4	123.7	155.8	-101.6	143.6	0	0	0	108.8
591	D	35.7	Very low	34	Very low	133 Å²	133	142.5 Å²	142.5	71%	0.711	79%	0.786	S	S	*	*			trans	-72.7	139.3	175.3	-57.7	-93.2	0	0	0	111.8
592	S	37	Very low	33.9	Very low	105 Å²	105	139.8 Å²	139.8	73%	0.734	78%	0.782	S	S	*	*			trans	-159.6	102.3	150.5	-89	0	0	0	0	113.7
593	N	37.9	Very low	34	Very low	134 Å²	134	138.3 Å²	138.3	72%	0.717	78%	0.777	S	S	*	*			trans	56.3	112.6	134.6	-70.2	-35.5	0	0	0	120.6
594	N	35	Very low	34.3	Very low	143 Å²	143	141.1 Å²	141.1	77%	0.765	78%	0.782	S	S	*	*				88.6	104.4	128.6	-62.2	-21.9	0	0	0	120.7
595	N	30.2	Very low	34.7	Very low	163 Å²	163	137.5 Å²	137.5	87%	0.872	77%	0.771	S	S	*	*				99.3	152.4	124.6	-157.2	16	0	0	0	118.3
596	A	33	Very low	35.1	Very low	74 Å²	74	136.4 Å²	136.4	61%	0.612	77%	0.765	S	S	*	*			trans	76.9	130.5	177.2	0	0	0	0	0	118.9
597	N	32	Very low	35.2	Very low	159 Å²	159	138 Å²	138	85%	0.85	76%	0.76	S	S	*	*			trans	62.2	92	152.7	-59.5	-14.9	0	0	0	120
598	S	32.1	Very low	35.4	Very low	112 Å²	112	134.1 Å²	134.1	78%	0.783	75%	0.745	S	S	*	*			trans	-138.6	91.1	144.3	-171	0	0	0	0	110.4
599	N	32.3	Very low	35.4	Very low	171 Å²	171	129.3 Å²	129.3	91%	0.914	72%	0.721	S	S	*	*			trans	-147.8	67.5	176.8	-95.1	-26.6	0	0	0	109.1
600	H	34.6	Very low	35.4	Very low	181 Å²	181	131.1 Å²	131.1	84%	0.838	72%	0.72	S	S	*	*			trans	-137.8	25.7	-177.1	-156.7	-71.1	0	0	0	113.3
601	L	35.2	Very low	35.4	Very low	173 Å²	173	127.6 Å²	127.6	91%	0.906	70%	0.7	S	S	*	*	S	Bend	trans	-128.3	25.7	-178.6	-73	171.1	0	0	0	113.2
602	A	31.6	Very low	35.5	Very low	78 Å²	78	124.6 Å²	124.6	65%	0.645	68%	0.684	S	S	*	*	S	Bend	trans	-116.4	-26	-179.3	0	0	0	0	0	114.5	E604	A602-E604 PolarHBondContact O-N 3.38Å
603	A	34.3	Very low	35.3	Very low	81 Å²	81	127.5 Å²	127.5	67%	0.669	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-37.6	-165.7	0	0	0	0	0	114.8	K605 D606	A603-K605 PolarHBondContact O-N 3.4Å; A603-D606 PolarHBondContact O-N 2.95Å; A603-D606 VanDerWaalsContact O-N 3.11Å
604	E	38.3	Very low	35.2	Very low	177 Å²	177	125.5 Å²	125.5	83%	0.827	67%	0.667	S	S	*	*	H	α-helix	trans	-60.9	-18.1	-174	-63	-178.8	139.6	0	0	114.2	A602	A602-E604 PolarHBondContact O-N 3.38Å
605	K	42.3	Very low	35.3	Very low	164 Å²	164	120.8 Å²	120.8	71%	0.713	64%	0.642	S	S	*	*	H	α-helix	trans	-78.5	-34.3	176.8	-80.5	-176.5	173.8	176.3	0	113.7	A603 S608 T609	A603-K605 PolarHBondContact O-N 3.4Å; K605-S608 PolarHBondContact O-OG 3.13Å; K605-T609 PolarHBondContact O-N 3.41Å; K605-T609 PolarHBondContact O-OG1 2.78Å; K605-T609 VanDerWaalsContact O-OG1 3.07Å
606	D	38.9	Very low	35.6	Very low	112 Å²	112	116 Å²	116	60%	0.599	62%	0.617	S	S	*	*	H	α-helix	trans	-76.2	-32.8	-173.1	-79.5	-28.6	0	0	0	112.6	A603 S608 T609 Y610	A603-D606 PolarHBondContact O-N 2.95Å; A603-D606 VanDerWaalsContact O-N 3.11Å; D606-S608 PolarHBondContact O-N 2.98Å; D606-T609 CarbonylContact O-C 3.59Å; D606-T609 WeakPolarHBondContact O-CA 3.22Å; D606-T609 VanDerWaalsContact O-CB 3.32Å; D606-T609 WeakPolarHBondContact O-CB 3.31Å; D606-T609 PolarHBondContact O-N 3.15Å; D606-Y610 PolarHBondContact O-N 3.39Å
607	E	36.9	Very low	35.7	Very low	144 Å²	144	118.6 Å²	118.6	67%	0.673	62%	0.62	S	S	*	*	H	α-helix	trans	-65.7	-40.4	178.1	-171.4	149.7	-148.5	0	0	112	T609 Y610 Q611	E607-T609 PolarHBondContact O-N 3.43Å; E607-Y610 PolarHBondContact O-N 3.22Å; E607-Q611 PolarHBondContact O-N 3Å
608	S	37.1	Very low	36.4	Very low	62 Å²	62	113.1 Å²	113.1	43%	0.434	59%	0.59	S	S	.	*	H	α-helix	trans	-60.2	-30.9	170.4	80.2	0	0	0	0	112.7	K605 D606 N612	K605-S608 PolarHBondContact O-OG 3.13Å; D606-S608 PolarHBondContact O-N 2.98Å; S608-N612 WeakPolarHBondContact O-CB 3.44Å; S608-N612 PolarHBondContact O-N 2.9Å; S608-N612 PolarHBondContact O-ND2 3.26Å
609	T	40.4	Very low	37	Very low	62 Å²	62	111.7 Å²	111.7	38%	0.38	57%	0.574	S	S	.	*	H	α-helix	trans	-77.9	-36.2	178.9	-57.6	0	0	0	0	111.5	K605 D606 E607 R613	K605-T609 PolarHBondContact O-N 3.41Å; K605-T609 PolarHBondContact O-OG1 2.78Å; K605-T609 VanDerWaalsContact O-OG1 3.07Å; D606-T609 CarbonylContact O-C 3.59Å; D606-T609 WeakPolarHBondContact O-CA 3.22Å; D606-T609 VanDerWaalsContact O-CB 3.32Å; D606-T609 WeakPolarHBondContact O-CB 3.31Å; D606-T609 PolarHBondContact O-N 3.15Å; E607-T609 PolarHBondContact O-N 3.43Å; T609-R613 WeakPolarHBondContact O-CG 3.34Å; T609-R613 PolarHBondContact O-N 3.07Å; T609-R613 VanDerWaalsContact O-N 3.17Å
610	Y	31.6	Very low	37.3	Very low	164 Å²	164	109.1 Å²	109.1	64%	0.643	56%	0.56	S	S	*	*	H	α-helix	trans	-66.1	-48.5	173.3	-110.1	-92.6	0	0	0	112	D606 E607 N612 R613 L614	D606-Y610 PolarHBondContact O-N 3.39Å; E607-Y610 PolarHBondContact O-N 3.22Å; Y610-N612 VanDerWaalsContact C-N 3.34Å; Y610-N612 PolarHBondContact O-N 3Å; Y610-R613 PolarHBondContact O-N 3.1Å; Y610-R613 VanDerWaalsContact O-N 3.13Å; Y610-L614 PolarHBondContact O-N 3.17Å; Y610-L614 VanDerWaalsContact O-N 3.09Å
611	Q	36.2	Very low	37.5	Very low	88 Å²	88	105.6 Å²	105.6	41%	0.411	55%	0.547	S	S	.	.	H	α-helix	trans	-61.6	-40.3	178.3	-71.6	-68.4	0.7	0	0	112.2	E607 R613 L614 N615	E607-Q611 PolarHBondContact O-N 3Å; Q611-R613 VanDerWaalsContact C-N 3.32Å; Q611-R613 PolarHBondContact O-N 3.49Å; Q611-L614 PolarHBondContact O-N 2.98Å; Q611-N615 PolarHBondContact O-N 2.9Å; Q611-N615 PolarHBondContact O-ND2 3.03Å
612	N	37.7	Very low	38.1	Very low	69 Å²	69	100.7 Å²	100.7	37%	0.369	53%	0.527	S	S	.	.	H	α-helix	trans	-70.8	-23.6	176.5	-75.5	-33.6	0	0	0	113.9	S608 Y610 N616	S608-N612 WeakPolarHBondContact O-CB 3.44Å; S608-N612 PolarHBondContact O-N 2.9Å; S608-N612 PolarHBondContact O-ND2 3.26Å; Y610-N612 VanDerWaalsContact C-N 3.34Å; Y610-N612 PolarHBondContact O-N 3Å; N612-N616 WeakPolarHBondContact O-CB 3.21Å; N612-N616 PolarHBondContact O-N 3.34Å; N612-N616 PolarHBondContact O-ND2 2.9Å
613	R	33.8	Very low	38.7	Very low	166 Å²	166	98 Å²	98	63%	0.626	50%	0.502	S	S	*	.	H	α-helix	trans	-74.2	-39.2	170.9	-77.9	178.2	179.3	-172.8	2.1	112.7	T609 Y610 Q611	T609-R613 WeakPolarHBondContact O-CG 3.34Å; T609-R613 PolarHBondContact O-N 3.07Å; T609-R613 VanDerWaalsContact O-N 3.17Å; Y610-R613 PolarHBondContact O-N 3.1Å; Y610-R613 VanDerWaalsContact O-N 3.13Å; Q611-R613 VanDerWaalsContact C-N 3.32Å; Q611-R613 PolarHBondContact O-N 3.49Å
614	L	35.8	Very low	39.2	Very low	92 Å²	92	100.5 Å²	100.5	48%	0.482	50%	0.5	S	S	.	.	H	α-helix	trans	-65.4	-46.9	175.7	-71.4	168.2	0	0	0	111.2	Y610 Q611 N616 N617	Y610-L614 PolarHBondContact O-N 3.17Å; Y610-L614 VanDerWaalsContact O-N 3.09Å; Q611-L614 PolarHBondContact O-N 2.98Å; L614-N616 VanDerWaalsContact C-N 3.28Å; L614-N616 PolarHBondContact O-N 3.31Å; L614-N617 PolarHBondContact O-N 2.65Å
615	N	37.2	Very low	39.8	Very low	45 Å²	45	94.9 Å²	94.9	24%	0.241	48%	0.483	C	S	.	.	H	α-helix	trans	-64.7	-24.3	-180	-80.7	-87.4	0	0	0	114.4	Q611	Q611-N615 PolarHBondContact O-N 2.9Å; Q611-N615 PolarHBondContact O-ND2 3.03Å
616	N	36.4	Very low	40	Very low	62 Å²	62	88.1 Å²	88.1	33%	0.332	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-6.7	-178.1	-94.9	-79.4	0	0	0	114.8	R519 N612 L614	R519-N616 PolarHBondContact NH1-OD1 2.96Å; N612-N616 WeakPolarHBondContact O-CB 3.21Å; N612-N616 PolarHBondContact O-N 3.34Å; N612-N616 PolarHBondContact O-ND2 2.9Å; L614-N616 VanDerWaalsContact C-N 3.28Å; L614-N616 PolarHBondContact O-N 3.31Å
617	N	35.8	Very low	40.2	Very low	129 Å²	129	83.8 Å²	83.8	69%	0.69	43%	0.433	S	S	*	.			trans	-108.7	3.8	-171	-76.2	-5.8	0	0	0	115	L614 N619	L614-N617 PolarHBondContact O-N 2.65Å; N617-N619 VanDerWaalsContact C-N 3.27Å; N617-N619 PolarHBondContact O-N 3.27Å
618	I	46.4	Very low	40.7	Very low	43 Å²	43	79.4 Å²	79.4	22%	0.221	42%	0.416	C	S	.	.			trans	-76.2	84.6	168.5	-55.4	-180	0	0	0	108.1	T523 M552 L623	T523-I618 HydrophobicContact CG2-CB 4.1Å; T523-I618 HydrophobicContact CG2-CD1 4.25Å; T523-I618 HydrophobicContact CG2-CG2 4.01Å; M552-I618 HydrophobicContact CG-CD1 4.32Å; I618-L623 HydrophobicContact CG2-CD1 4.21Å
619	N	44.6	Very low	41.4	Very low	82 Å²	82	81.8 Å²	81.8	44%	0.439	42%	0.421	S	S	.	.			trans	-76.2	148.2	177.7	-172	23.2	0	0	0	110.9	N617 D621 S622 L623	N617-N619 VanDerWaalsContact C-N 3.27Å; N617-N619 PolarHBondContact O-N 3.27Å; N619-D621 VanDerWaalsContact C-N 3.28Å; N619-D621 PolarHBondContact ND2-OD2 2.89Å; N619-D621 PolarHBondContact O-N 2.67Å; N619-S622 WeakPolarHBondContact O-CB 3.5Å; N619-S622 PolarHBondContact O-N 3.43Å; N619-L623 PolarHBondContact O-N 3.33Å
620	L	38	Very low	41.8	Very low	118 Å²	118	79.1 Å²	79.1	62%	0.618	40%	0.404	S	S	*	.	H	α-helix	trans	-57.5	-41.7	-179.7	-86.9	158	0	0	0	111.9	S622 L623 E624	L620-S622 PolarHBondContact O-N 3.46Å; L620-L623 WeakPolarHBondContact O-CA 3.36Å; L620-L623 WeakPolarHBondContact O-CB 3.44Å; L620-L623 PolarHBondContact O-N 3.16Å; L620-E624 PolarHBondContact O-N 2.93Å
621	D	38.8	Very low	42.5	Very low	107 Å²	107	78 Å²	78	57%	0.572	40%	0.398	S	S	*	.	H	α-helix	trans	-56.3	-34.6	176.2	-46.2	-32.2	0	0	0	112.2	N619 A625	N619-D621 VanDerWaalsContact C-N 3.28Å; N619-D621 PolarHBondContact ND2-OD2 2.89Å; N619-D621 PolarHBondContact O-N 2.67Å; D621-A625 VanDerWaalsContact O-CB 3.27Å; D621-A625 WeakPolarHBondContact O-CB 3.25Å; D621-A625 PolarHBondContact O-N 2.84Å
622	S	47.3	Very low	43.4	Very low	70 Å²	70	80.2 Å²	80.2	49%	0.49	41%	0.409	S	S	.	.	H	α-helix	trans	-74.2	-33.4	177.4	-53.2	0	0	0	0	112.1	N619 L620 L626	N619-S622 WeakPolarHBondContact O-CB 3.5Å; N619-S622 PolarHBondContact O-N 3.43Å; L620-S622 PolarHBondContact O-N 3.46Å; S622-L626 WeakPolarHBondContact O-CB 3.37Å; S622-L626 PolarHBondContact O-N 3.37Å
623	L	44	Very low	43.9	Very low	21 Å²	21	83.9 Å²	83.9	11%	0.11	42%	0.424	C	S	.	.	H	α-helix	trans	-72.3	-38.8	175.3	-148.4	83.9	0	0	0	111.5	A526 L527 L530 M552 I618 N619 L620 L626 S627	A526-L623 HydrophobicContact CB-CD2 3.78Å; L527-L623 HydrophobicContact CD2-CD1 3.94Å; L527-L623 HydrophobicContact CG-CD1 4.36Å; L530-L623 HydrophobicContact CD2-CD1 4.35Å; L530-L623 HydrophobicContact CD2-CG 4.23Å; M552-L623 HydrophobicContact SD-CD1 4.49Å; I618-L623 HydrophobicContact CG2-CD1 4.21Å; N619-L623 PolarHBondContact O-N 3.33Å; L620-L623 WeakPolarHBondContact O-CA 3.36Å; L620-L623 WeakPolarHBondContact O-CB 3.44Å; L620-L623 PolarHBondContact O-N 3.16Å; L623-L626 PolarHBondContact O-N 2.59Å; L623-S627 VanDerWaalsContact O-CB 3.29Å; L623-S627 WeakPolarHBondContact O-CB 3.45Å; L623-S627 PolarHBondContact O-N 2.79Å
624	E	45	Very low	44.3	Very low	134 Å²	134	78 Å²	78	63%	0.626	40%	0.404	S	S	*	.	H	α-helix	trans	-69.2	-38.9	174.7	-175.3	171.4	-153.9	0	0	112	L620 S627 T628	L620-E624 PolarHBondContact O-N 2.93Å; E624-S627 PolarHBondContact O-N 3.17Å; E624-T628 WeakPolarHBondContact O-CB 3.48Å; E624-T628 PolarHBondContact O-N 3.03Å; E624-T628 PolarHBondContact O-OG1 3.09Å
625	A	51.7	Low	44.3	Very low	58 Å²	58	79.2 Å²	79.2	48%	0.479	42%	0.415	S	S	.	.	H	α-helix	trans	-59.8	-47	170.6	0	0	0	0	0	111.4	D621 T628 Q629	D621-A625 VanDerWaalsContact O-CB 3.27Å; D621-A625 WeakPolarHBondContact O-CB 3.25Å; D621-A625 PolarHBondContact O-N 2.84Å; A625-T628 PolarHBondContact O-N 2.94Å; A625-Q629 PolarHBondContact O-N 3.32Å
626	L	46.6	Very low	44.1	Very low	23 Å²	23	79.6 Å²	79.6	12%	0.12	43%	0.43	C	S	.	.	H	α-helix	trans	-60.4	-49.8	176.7	-161.3	76.7	0	0	0	111.6	L530 I547 P549 M552 S622 L623 T628 Q629 I630	L530-L626 HydrophobicContact CD2-CD2 4.46Å; I547-L626 WeakPolarHBondContact O-CD1 3.44Å; P549-L626 HydrophobicContact CG-CD1 4.32Å; M552-L626 HydrophobicContact CE-CD2 3.88Å; S622-L626 WeakPolarHBondContact O-CB 3.37Å; S622-L626 PolarHBondContact O-N 3.37Å; L623-L626 PolarHBondContact O-N 2.59Å; L626-T628 PolarHBondContact O-N 3.13Å; L626-Q629 PolarHBondContact O-N 3.36Å; L626-Q629 VanDerWaalsContact O-N 3.1Å; L626-I630 HydrophobicContact CG-CD1 4.5Å; L626-I630 WeakPolarHBondContact O-CG1 3.49Å; L626-I630 PolarHBondContact O-N 2.8Å
627	S	42.7	Very low	43.9	Very low	21 Å²	21	82.7 Å²	82.7	15%	0.147	45%	0.454	C	S	.	.	H	α-helix	trans	-54.8	-37.1	175.6	-167.3	0	0	0	0	112.2	L530 L623 E624 R631	L530-S627 WeakPolarHBondContact CD1-OG 3.26Å; L623-S627 VanDerWaalsContact O-CB 3.29Å; L623-S627 WeakPolarHBondContact O-CB 3.45Å; L623-S627 PolarHBondContact O-N 2.79Å; E624-S627 PolarHBondContact O-N 3.17Å; S627-R631 WeakPolarHBondContact O-CG 3.2Å; S627-R631 PolarHBondContact O-N 3.36Å; S627-R631 PolarHBondContact O-NE 2.86Å; S627-R631 VanDerWaalsContact OG-CZ 3.25Å; S627-R631 PolarHBondContact OG-NH1 3Å; S627-R631 PolarHBondContact OG-NH2 2.92Å
628	T	47.5	Very low	43.9	Very low	51 Å²	51	84.3 Å²	84.3	31%	0.313	46%	0.457	S	S	.	.	H	α-helix	trans	-77.9	-34.8	178.7	-56.7	0	0	0	0	112.6	E624 A625 L626 R631 Q632	E624-T628 WeakPolarHBondContact O-CB 3.48Å; E624-T628 PolarHBondContact O-N 3.03Å; E624-T628 PolarHBondContact O-OG1 3.09Å; A625-T628 PolarHBondContact O-N 2.94Å; L626-T628 PolarHBondContact O-N 3.13Å; T628-R631 PolarHBondContact O-N 3.36Å; T628-R631 PolarHBondContact OG1-NH2 3.18Å; T628-Q632 VanDerWaalsContact O-CG 3.3Å; T628-Q632 WeakPolarHBondContact O-CG 3.41Å; T628-Q632 PolarHBondContact O-N 3.1Å; T628-Q632 VanDerWaalsContact O-N 3.11Å
629	Q	52.4	Low	43.2	Very low	113 Å²	113	89.4 Å²	89.4	53%	0.528	49%	0.485	S	S	.	.	H	α-helix	trans	-65.4	-42.5	173.3	-172.6	172.8	-9.3	0	0	111.2	A625 L626 Q632 H633	A625-Q629 PolarHBondContact O-N 3.32Å; L626-Q629 PolarHBondContact O-N 3.36Å; L626-Q629 VanDerWaalsContact O-N 3.1Å; Q629-Q632 PolarHBondContact O-N 3.22Å; Q629-Q632 VanDerWaalsContact O-N 3.13Å; Q629-H633 PolarHBondContact O-CD2 3.44Å; Q629-H633 PolarHBondContact O-N 3.07Å; Q629-H633 VanDerWaalsContact O-N 3.15Å
630	I	48.8	Very low	42.9	Very low	6 Å²	6	96.6 Å²	96.6	3%	0.031	51%	0.506	C	S	.	.	H	α-helix	trans	-58.7	-53.2	173.9	-59.9	164	0	0	0	110.1	L534 I547 L626 Q632 H633 M634	L534-I630 HydrophobicContact CD1-CD1 4.2Å; L534-I630 HydrophobicContact CD2-CD1 4.39Å; L534-I630 HydrophobicContact CD2-CG2 3.69Å; I547-I630 HydrophobicContact CD1-CG1 4.28Å; I547-I630 HydrophobicContact CD1-CG2 4.43Å; I547-I630 HydrophobicContact CG1-CG1 4.4Å; I547-I630 HydrophobicContact CG2-CD1 3.48Å; I547-I630 VanDerWaalsContact CG2-CD1 3.48Å; I547-I630 HydrophobicContact CG2-CG1 3.43Å; I547-I630 VanDerWaalsContact CG2-CG1 3.43Å; L626-I630 HydrophobicContact CG-CD1 4.5Å; L626-I630 WeakPolarHBondContact O-CG1 3.49Å; L626-I630 PolarHBondContact O-N 2.8Å; I630-Q632 PolarHBondContact O-N 3.21Å; I630-H633 PolarHBondContact O-N 3.18Å; I630-M634 HydrophobicContact CG2-CG 3.83Å; I630-M634 WeakPolarHBondContact O-CG 3.27Å; I630-M634 PolarHBondContact O-N 3.06Å
631	R	46.8	Very low	42.3	Very low	139 Å²	139	95.9 Å²	95.9	53%	0.525	50%	0.503	S	S	.	.	H	α-helix	trans	-59.5	-15.7	177.2	-71.2	-178.7	-64	-119.8	-1.4	114.8	S627 T628 T635	S627-R631 WeakPolarHBondContact O-CG 3.2Å; S627-R631 PolarHBondContact O-N 3.36Å; S627-R631 PolarHBondContact O-NE 2.86Å; S627-R631 VanDerWaalsContact OG-CZ 3.25Å; S627-R631 PolarHBondContact OG-NH1 3Å; S627-R631 PolarHBondContact OG-NH2 2.92Å; T628-R631 PolarHBondContact O-N 3.36Å; T628-R631 PolarHBondContact OG1-NH2 3.18Å; R631-T635 WeakPolarHBondContact O-CG2 3.4Å
632	Q	54.1	Low	42.2	Very low	136 Å²	136	97.3 Å²	97.3	64%	0.636	51%	0.509	S	S	*	.	H	α-helix	trans	-90.7	-23.1	173.1	-75.2	173.7	9.8	0	0	113.3	T628 Q629 I630	T628-Q632 VanDerWaalsContact O-CG 3.3Å; T628-Q632 WeakPolarHBondContact O-CG 3.41Å; T628-Q632 PolarHBondContact O-N 3.1Å; T628-Q632 VanDerWaalsContact O-N 3.11Å; Q629-Q632 PolarHBondContact O-N 3.22Å; Q629-Q632 VanDerWaalsContact O-N 3.13Å; I630-Q632 PolarHBondContact O-N 3.21Å
633	H	49	Very low	41.4	Very low	145 Å²	145	100.3 Å²	100.3	67%	0.671	52%	0.519	S	S	*	.	H	α-helix	trans	-84.2	-36.3	172	-84.1	-97.4	0	0	0	112.3	Q629 I630 T635	Q629-H633 PolarHBondContact O-CD2 3.44Å; Q629-H633 PolarHBondContact O-N 3.07Å; Q629-H633 VanDerWaalsContact O-N 3.15Å; I630-H633 PolarHBondContact O-N 3.18Å; H633-T635 PolarHBondContact O-N 3.34Å
634	M	41	Very low	40.9	Very low	43 Å²	43	106.5 Å²	106.5	21%	0.212	55%	0.552	C	S	.	*			trans	-70.8	12.1	-176.5	-60.8	-56.6	-70.4	0	0	115.6	E537 V539 I630 G636	E537-M634 HydrophobicContact CB-CE 3.46Å; E537-M634 VanDerWaalsContact CB-CE 3.46Å; E537-M634 HydrophobicContact CG-CE 4.44Å; V539-M634 HydrophobicContact CG2-CE 3.58Å; V539-M634 HydrophobicContact CG2-SD 3.91Å; I630-M634 HydrophobicContact CG2-CG 3.83Å; I630-M634 WeakPolarHBondContact O-CG 3.27Å; I630-M634 PolarHBondContact O-N 3.06Å; M634-G636 VanDerWaalsContact C-N 3.31Å; M634-G636 PolarHBondContact O-N 3.39Å
635	T	35.2	Very low	40.3	Very low	117 Å²	117	107.5 Å²	107.5	72%	0.718	56%	0.561	S	S	*	*			trans	-83.5	61.9	-170.3	61.2	0	0	0	0	114.5	R631 H633	R631-T635 WeakPolarHBondContact O-CG2 3.4Å; H633-T635 PolarHBondContact O-N 3.34Å
636	G	33.8	Very low	39.3	Very low	54 Å²	54	108.9 Å²	108.9	56%	0.557	57%	0.573	S	S	*	*	S	Bend	trans	167	135.4	164.5	0	0	0	0	0	114.1	M634 E638	M634-G636 VanDerWaalsContact C-N 3.31Å; M634-G636 PolarHBondContact O-N 3.39Å; G636-E638 PolarHBondContact O-N 2.86Å; G636-E638 VanDerWaalsContact O-N 3.13Å
637	P	32.4	Very low	38.5	Very low	127 Å²	127	114.8 Å²	114.8	83%	0.825	60%	0.604	S	S	*	*			trans	-71.5	105.3	165.3	30.1	-31.3	0	0	0	108.5	N639	P637-N639 PolarHBondContact O-N 3.44Å
638	E	36	Very low	38	Very low	163 Å²	163	119.6 Å²	119.6	76%	0.762	64%	0.635	S	S	*	*			trans	-66.3	123.1	169.7	-167.1	153.2	-123.2	0	0	108.5	G636 W640	G636-E638 PolarHBondContact O-N 2.86Å; G636-E638 VanDerWaalsContact O-N 3.13Å; E638-W640 PolarHBondContact O-N 3.39Å; E638-W640 VanDerWaalsContact O-N 3.09Å
639	N	30.9	Very low	37.2	Very low	150 Å²	150	124.3 Å²	124.3	80%	0.802	66%	0.657	S	S	*	*			trans	-76.7	100.3	178.2	-87	-22.3	0	0	0	108.3	P637 D641	P637-N639 PolarHBondContact O-N 3.44Å; N639-D641 PolarHBondContact O-N 2.97Å
640	W	37.9	Very low	35.9	Very low	233 Å²	233	127.9 Å²	127.9	88%	0.883	67%	0.674	S	S	*	*			trans	-68	71.4	166.3	-68.9	71	0	0	0	109.9	E638 I642	E638-W640 PolarHBondContact O-N 3.39Å; E638-W640 VanDerWaalsContact O-N 3.09Å; W640-I642 PolarHBondContact O-N 3.39Å
641	D	27.2	Very low	35.2	Very low	103 Å²	103	135.7 Å²	135.7	55%	0.551	72%	0.715	S	S	*	*			trans	-69.7	123.7	171.4	-158.1	-27.4	0	0	0	108.1	N639 N643 D644	N639-D641 PolarHBondContact O-N 2.97Å; D641-N643 PolarHBondContact O-N 3.14Å; D641-N643 PolarHBondContact OD1-ND2 3.41Å; D641-D644 PolarHBondContact O-N 3.05Å
642	I	35.2	Very low	34.3	Very low	137 Å²	137	131.4 Å²	131.4	70%	0.703	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	1	-162.9	-64	164.2	0	0	0	112.2	W640	W640-I642 PolarHBondContact O-N 3.39Å
643	N	32.3	Very low	33.1	Very low	133 Å²	133	134.6 Å²	134.6	71%	0.711	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-17.2	-176.5	-61.4	-72.1	0	0	0	114.1	D641 L645	D641-N643 PolarHBondContact O-N 3.14Å; D641-N643 PolarHBondContact OD1-ND2 3.41Å; N643-L645 VanDerWaalsContact C-N 3.29Å; N643-L645 PolarHBondContact O-N 2.99Å
644	D	32	Very low	32.2	Very low	150 Å²	150	138.6 Å²	138.6	80%	0.802	74%	0.739	S	S	*	*			trans	-89.2	16	-179.2	-76.6	-19.2	0	0	0	113.9	D641 A646	D641-D644 PolarHBondContact O-N 3.05Å; D644-A646 PolarHBondContact O-N 3.11Å
645	L	33.1	Very low	31.6	Very low	155 Å²	155	141.8 Å²	141.8	81%	0.812	77%	0.766	S	S	*	*			trans	-73.3	71.9	165	-79.3	168.3	0	0	0	110.2	N643 D647	N643-L645 VanDerWaalsContact C-N 3.29Å; N643-L645 PolarHBondContact O-N 2.99Å; L645-D647 PolarHBondContact O-N 3.09Å
646	A	31.4	Very low	31.3	Very low	88 Å²	88	145 Å²	145	73%	0.727	77%	0.773	S	S	*	*			trans	-65.5	117.8	175.3	0	0	0	0	0	111.1	D644	D644-A646 PolarHBondContact O-N 3.11Å
647	D	28.8	Very low	31	Very low	146 Å²	146	149.5 Å²	149.5	78%	0.781	78%	0.784	S	S	*	*			trans	39.2	124.1	167.7	-58.9	-34.1	0	0	0	119.3	L645 I649	L645-D647 PolarHBondContact O-N 3.09Å; D647-I649 PolarHBondContact O-N 2.78Å
648	P	32.1	Very low	30.9	Very low	122 Å²	122	149.9 Å²	149.9	79%	0.792	78%	0.784	S	S	*	*			trans	-63.6	129.5	173.7	28.9	-33.9	0	0	0	110.1	E650	P648-E650 PolarHBondContact O-N 3.38Å; P648-E650 VanDerWaalsContact O-N 3.13Å
649	I	31	Very low	30.6	Very low	151 Å²	151	148.1 Å²	148.1	77%	0.774	79%	0.785	S	S	*	*			trans	-53.9	118.8	180	-62.4	170	0	0	0	109.8	D647 L651	D647-I649 PolarHBondContact O-N 2.78Å; I649-L651 PolarHBondContact O-N 3.47Å
650	E	25.8	Very low	30.6	Very low	188 Å²	188	146.6 Å²	146.6	88%	0.879	78%	0.777	S	S	*	*			trans	-64.4	96.3	167.9	-71.3	-170.8	145	0	0	109.1	P648 G652	P648-E650 PolarHBondContact O-N 3.38Å; P648-E650 VanDerWaalsContact O-N 3.13Å; E650-G652 VanDerWaalsContact C-N 3.29Å; E650-G652 PolarHBondContact O-N 3.19Å
651	L	33.6	Very low	30.2	Very low	169 Å²	169	144.6 Å²	144.6	89%	0.885	78%	0.777	S	S	*	*			trans	-68.6	92	167.8	-76.2	169.6	0	0	0	108.1	I649	I649-L651 PolarHBondContact O-N 3.47Å
652	G	28.1	Very low	30.4	Very low	49 Å²	49	143.3 Å²	143.3	51%	0.505	78%	0.781	S	S	.	*			trans	-54.7	154.3	-174.7	0	0	0	0	0	114.1	E650 Y654	E650-G652 VanDerWaalsContact C-N 3.29Å; E650-G652 PolarHBondContact O-N 3.19Å; G652-Y654 WeakPolarHBondContact O-CD2 3.34Å; G652-Y654 PolarHBondContact O-N 3.48Å
653	E	27.5	Very low	30.3	Very low	203 Å²	203	141.8 Å²	141.8	95%	0.949	77%	0.774	S	S	*	*			trans	-58.4	91.6	-169.1	-59	178.9	148.7	0	0	113.5	S655	E653-S655 PolarHBondContact O-N 2.86Å
654	Y	30.2	Very low	30.1	Very low	230 Å²	230	137.6 Å²	137.6	90%	0.902	76%	0.755	S	S	*	*			trans	-76.5	112	164.3	-88.2	-88.9	0	0	0	109.2	G652 E656	G652-Y654 WeakPolarHBondContact O-CD2 3.34Å; G652-Y654 PolarHBondContact O-N 3.48Å; Y654-E656 PolarHBondContact O-N 2.97Å
655	S	29.8	Very low	30.1	Very low	109 Å²	109	136.9 Å²	136.9	76%	0.762	75%	0.752	S	S	*	*			trans	-54.1	127.5	-170.4	57.5	0	0	0	0	113.8	E653 N657	E653-S655 PolarHBondContact O-N 2.86Å; S655-N657 PolarHBondContact O-N 3.05Å
656	E	29.2	Very low	30	Very low	185 Å²	185	135.2 Å²	135.2	86%	0.864	74%	0.743	S	S	*	*			trans	-53.3	122.9	162.1	-65.9	-177.1	109.8	0	0	110.2	Y654	Y654-E656 PolarHBondContact O-N 2.97Å
657	N	27.1	Very low	30	Very low	148 Å²	148	138.2 Å²	138.2	79%	0.791	75%	0.746	S	S	*	*			trans	-170.9	131.2	144.5	-97.6	-59.3	0	0	0	108.5	S655	S655-N657 PolarHBondContact O-N 3.05Å
658	T	29.9	Very low	30.1	Very low	136 Å²	136	137.8 Å²	137.8	83%	0.834	74%	0.743	S	S	*	*	S	Bend	trans	59.5	99.9	-174.6	62.8	0	0	0	0	116
659	T	29.7	Very low	30	Very low	125 Å²	125	136 Å²	136	77%	0.767	73%	0.734	S	S	*	*	S	Bend		177.7	131.4	110.8	-68.1	0	0	0	0	110.8
660	D	30.5	Very low	29.9	Very low	119 Å²	119	136.4 Å²	136.4	64%	0.636	73%	0.733	S	S	*	*			trans	50.6	89.3	163.4	-59.9	-7.2	0	0	0	120.2	A662 N663	D660-A662 PolarHBondContact O-N 2.66Å; D660-N663 PolarHBondContact O-N 3.33Å
661	Q	29.3	Very low	30.1	Very low	190 Å²	190	134.6 Å²	134.6	89%	0.888	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	18.2	175	-157.3	172.1	15.3	0	0	116.4
662	A	31.6	Very low	30	Very low	77 Å²	77	130.7 Å²	130.7	64%	0.636	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	-21.6	177.3	0	0	0	0	0	113.2	D660	D660-A662 PolarHBondContact O-N 2.66Å
663	N	32.6	Very low	30.1	Very low	105 Å²	105	135.4 Å²	135.4	56%	0.561	72%	0.722	S	S	*	*	S	Bend	trans	-96.1	-13.5	-176.3	-63.9	-39.2	0	0	0	113.3	D660 D665	D660-N663 PolarHBondContact O-N 3.33Å; N663-D665 VanDerWaalsContact C-N 3.33Å; N663-D665 PolarHBondContact O-N 3.29Å
664	S	29.7	Very low	30.2	Very low	45 Å²	45	132.2 Å²	132.2	32%	0.315	71%	0.712	S	S	.	*	H	α-helix	trans	-63.2	-34.3	-178.9	49	0	0	0	0	113.8	L666 L667 N668	S664-L666 VanDerWaalsContact C-N 3.33Å; S664-L666 PolarHBondContact O-N 2.89Å; S664-L667 PolarHBondContact O-N 3.37Å; S664-N668 PolarHBondContact O-ND2 3.15Å
665	D	30.9	Very low	30.2	Very low	135 Å²	135	123.9 Å²	123.9	72%	0.722	69%	0.687	S	S	*	*	H	α-helix	trans	-77.3	-22.7	-171.7	-69	13.7	0	0	0	112.3	N663	N663-D665 VanDerWaalsContact C-N 3.33Å; N663-D665 PolarHBondContact O-N 3.29Å
666	L	31.5	Very low	30.2	Very low	119 Å²	119	125.4 Å²	125.4	62%	0.623	69%	0.686	S	S	*	*	H	α-helix	trans	-78.3	-34.9	175.7	-80.2	163.6	0	0	0	112.7	S664	S664-L666 VanDerWaalsContact C-N 3.33Å; S664-L666 PolarHBondContact O-N 2.89Å
667	L	30.6	Very low	30.2	Very low	152 Å²	152	123 Å²	123	80%	0.796	67%	0.673	S	S	*	*	H	α-helix	trans	-78.8	-23.8	-174.8	-68.3	170.7	0	0	0	113.5	S664 S669	S664-L667 PolarHBondContact O-N 3.37Å; L667-S669 VanDerWaalsContact C-N 3.27Å; L667-S669 PolarHBondContact O-N 2.81Å
668	N	31.8	Very low	30.5	Very low	136 Å²	136	119.6 Å²	119.6	73%	0.727	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	10	179.8	-74.6	-74	0	0	0	114.2	S664 E670	S664-N668 PolarHBondContact O-ND2 3.15Å; N668-E670 VanDerWaalsContact C-N 3.35Å; N668-E670 PolarHBondContact O-N 3.34Å
669	S	30.4	Very low	30.5	Very low	84 Å²	84	115.2 Å²	115.2	59%	0.587	63%	0.631	S	S	*	*			trans	-81.8	72.9	-178.1	-165.4	0	0	0	0	112.7	L667 K671	L667-S669 VanDerWaalsContact C-N 3.27Å; L667-S669 PolarHBondContact O-N 2.81Å; S669-K671 PolarHBondContact O-N 2.96Å
670	E	29	Very low	30.8	Very low	161 Å²	161	114.6 Å²	114.6	75%	0.752	62%	0.615	S	S	*	*			trans	-70.4	64.7	178.4	-169.9	-148.3	-159.7	0	0	112.6	N668	N668-E670 VanDerWaalsContact C-N 3.35Å; N668-E670 PolarHBondContact O-N 3.34Å
671	K	30	Very low	31.2	Very low	150 Å²	150	113.3 Å²	113.3	65%	0.652	61%	0.605	S	S	*	*			trans	-152.5	123.8	168.7	-85.8	105.5	-154.5	110	0	114.1	S669	S669-K671 PolarHBondContact O-N 2.96Å
672	S	30.2	Very low	31.7	Very low	87 Å²	87	110 Å²	110	61%	0.608	59%	0.59	S	S	*	*			trans	60.1	116	157.2	50.5	0	0	0	0	119.4	D674 S675	S672-D674 PolarHBondContact O-N 3.3Å; S672-S675 PolarHBondContact O-N 3.1Å
673	N	31	Very low	32.1	Very low	148 Å²	148	111.7 Å²	111.7	79%	0.791	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	4.3	-176.2	-63.1	-14.9	0	0	0	116.6
674	D	29.8	Very low	32.5	Very low	136 Å²	136	111 Å²	111	73%	0.727	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-12.7	174.1	-61	-49.3	0	0	0	112.4	S672 L676	S672-D674 PolarHBondContact O-N 3.3Å; D674-L676 VanDerWaalsContact C-N 3.35Å; D674-L676 PolarHBondContact O-N 3.37Å
675	S	30.2	Very low	33	Very low	55 Å²	55	113.5 Å²	113.5	39%	0.385	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.7	-19.5	-174.8	-166	0	0	0	0	114.6	S672 F677 T678 P679	S672-S675 PolarHBondContact O-N 3.1Å; S675-F677 PolarHBondContact O-N 2.81Å; S675-T678 PolarHBondContact O-N 3.18Å; S675-T678 PolarHBondContact O-OG1 2.88Å; S675-P679 WeakPolarHBondContact O-CD 3.35Å
676	L	29.7	Very low	33.4	Very low	141 Å²	141	110 Å²	110	74%	0.738	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-15.2	-173.9	-74.5	172.8	0	0	0	114.9	D674	D674-L676 VanDerWaalsContact C-N 3.35Å; D674-L676 PolarHBondContact O-N 3.37Å
677	F	29.2	Very low	33.6	Very low	135 Å²	135	106.6 Å²	106.6	59%	0.592	57%	0.565	S	S	*	*	H	α-helix	trans	-75.8	-33	174.6	-140.9	-91.2	0	0	0	112.4	S675 Q681 L798	S675-F677 PolarHBondContact O-N 2.81Å; F677-Q681 WeakPolarHBondContact O-CB 3.32Å; F677-Q681 PolarHBondContact O-N 3.44Å; F677-L798 HydrophobicContact CE1-CD2 4.49Å; F677-L798 HydrophobicContact CE2-CD2 4.39Å; F677-L798 HydrophobicContact CZ-CD2 3.73Å
678	T	32.5	Very low	33.7	Very low	75 Å²	75	101.3 Å²	101.3	46%	0.46	55%	0.547	S	S	.	.	H	α-helix	trans	-70.5	-54.8	-170.6	-4.8	0	0	0	0	113.2	S675 W680 Q681 E682	S675-T678 PolarHBondContact O-N 3.18Å; S675-T678 PolarHBondContact O-OG1 2.88Å; T678-W680 PolarHBondContact O-N 3.25Å; T678-Q681 PolarHBondContact O-N 2.88Å; T678-Q681 VanDerWaalsContact O-N 3.11Å; T678-E682 WeakPolarHBondContact O-CG 3.49Å; T678-E682 PolarHBondContact O-N 3.32Å
679	P	31.1	Very low	33.9	Very low	45 Å²	45	101 Å²	101	29%	0.292	54%	0.541	S	S	.	.	H	α-helix	trans	-61.6	-31.8	176	-23.1	34.4	0	0	0	112.5	S675 E682 L683	S675-P679 WeakPolarHBondContact O-CD 3.35Å; P679-E682 PolarHBondContact O-N 3.42Å; P679-L683 WeakPolarHBondContact O-CB 3.49Å; P679-L683 VanDerWaalsContact O-CG 3.25Å; P679-L683 WeakPolarHBondContact O-CG 3.38Å; P679-L683 PolarHBondContact O-N 3.34Å
680	W	34.3	Very low	34.1	Very low	112 Å²	112	104.5 Å²	104.5	42%	0.424	55%	0.546	S	S	.	.	H	α-helix	trans	-65.6	-41.9	175.7	-125.4	99.1	0	0	0	111.8	T678 L683 I684 L813	T678-W680 PolarHBondContact O-N 3.25Å; W680-L683 PolarHBondContact O-N 2.89Å; W680-I684 HydrophobicContact CE3-CD1 3.66Å; W680-I684 HydrophobicContact CE3-CG1 3.82Å; W680-I684 HydrophobicContact CZ3-CD1 3.74Å; W680-I684 HydrophobicContact CZ3-CG1 3.66Å; W680-I684 WeakPolarHBondContact O-CG1 3.22Å; W680-I684 PolarHBondContact O-N 2.81Å; W680-I684 VanDerWaalsContact O-N 3.12Å; W680-L813 HydrophobicContact CH2-CD1 4.29Å; W680-L813 HydrophobicContact CH2-CD2 3.37Å; W680-L813 HydrophobicContact CH2-CG 4.39Å; W680-L813 HydrophobicContact CZ2-CD1 3.73Å; W680-L813 HydrophobicContact CZ2-CD2 3.72Å; W680-L813 HydrophobicContact CZ2-CG 4.31Å; W680-L813 HydrophobicContact CZ3-CD2 4.14Å
681	Q	38.9	Very low	34.4	Very low	92 Å²	92	100.9 Å²	100.9	43%	0.43	53%	0.531	S	S	.	.	H	α-helix	trans	-71.2	-40.1	176	-170.6	170.3	-20.9	0	0	111.9	F677 T678 L683 I684 E685	F677-Q681 WeakPolarHBondContact O-CB 3.32Å; F677-Q681 PolarHBondContact O-N 3.44Å; T678-Q681 PolarHBondContact O-N 2.88Å; T678-Q681 VanDerWaalsContact O-N 3.11Å; Q681-L683 VanDerWaalsContact C-N 3.29Å; Q681-L683 PolarHBondContact O-N 3.02Å; Q681-I684 PolarHBondContact O-N 3.24Å; Q681-E685 WeakPolarHBondContact CG-OE1 3.46Å; Q681-E685 PolarHBondContact NE2-OE1 3.16Å; Q681-E685 WeakPolarHBondContact O-CB 3.32Å; Q681-E685 WeakPolarHBondContact O-CG 3.41Å; Q681-E685 PolarHBondContact O-N 3.44Å
682	E	40	Very low	34.7	Very low	120 Å²	120	97.4 Å²	97.4	56%	0.561	53%	0.526	S	S	*	.	H	α-helix	trans	-62.9	-33.1	173	-71.9	179.8	147	0	0	112.5	T678 P679 S686	T678-E682 WeakPolarHBondContact O-CG 3.49Å; T678-E682 PolarHBondContact O-N 3.32Å; P679-E682 PolarHBondContact O-N 3.42Å; E682-S686 WeakPolarHBondContact O-CB 3.42Å; E682-S686 PolarHBondContact O-N 3.13Å; E682-S686 PolarHBondContact O-OG 2.74Å
683	L	41.5	Very low	35.2	Very low	112 Å²	112	100 Å²	100	59%	0.586	53%	0.532	S	S	*	.	H	α-helix	trans	-68.2	-45.7	173	-80.6	166.7	0	0	0	112.2	P679 W680 Q681 S686 A687	P679-L683 WeakPolarHBondContact O-CB 3.49Å; P679-L683 VanDerWaalsContact O-CG 3.25Å; P679-L683 WeakPolarHBondContact O-CG 3.38Å; P679-L683 PolarHBondContact O-N 3.34Å; W680-L683 PolarHBondContact O-N 2.89Å; Q681-L683 VanDerWaalsContact C-N 3.29Å; Q681-L683 PolarHBondContact O-N 3.02Å; L683-S686 PolarHBondContact O-N 3.17Å; L683-A687 WeakPolarHBondContact O-CB 3.32Å; L683-A687 PolarHBondContact O-N 2.92Å
684	I	40.5	Very low	35.4	Very low	91 Å²	91	98.5 Å²	98.5	47%	0.467	52%	0.524	S	S	.	.	H	α-helix	trans	-59.5	-48	173.3	-66.6	168.2	0	0	0	110.3	W680 Q681 S686 A687 G688	W680-I684 HydrophobicContact CE3-CD1 3.66Å; W680-I684 HydrophobicContact CE3-CG1 3.82Å; W680-I684 HydrophobicContact CZ3-CD1 3.74Å; W680-I684 HydrophobicContact CZ3-CG1 3.66Å; W680-I684 WeakPolarHBondContact O-CG1 3.22Å; W680-I684 PolarHBondContact O-N 2.81Å; W680-I684 VanDerWaalsContact O-N 3.12Å; Q681-I684 PolarHBondContact O-N 3.24Å; I684-S686 VanDerWaalsContact C-N 3.35Å; I684-S686 PolarHBondContact O-N 2.92Å; I684-A687 PolarHBondContact O-N 3.38Å; I684-G688 PolarHBondContact O-N 3.1Å
685	E	38.9	Very low	35.6	Very low	98 Å²	98	95.5 Å²	95.5	46%	0.458	52%	0.518	S	S	.	.	H	α-helix	trans	-66.7	-35.7	-178.5	-70.7	179.3	-157.9	0	0	111.6	Q681 Q689	Q681-E685 WeakPolarHBondContact CG-OE1 3.46Å; Q681-E685 PolarHBondContact NE2-OE1 3.16Å; Q681-E685 WeakPolarHBondContact O-CB 3.32Å; Q681-E685 WeakPolarHBondContact O-CG 3.41Å; Q681-E685 PolarHBondContact O-N 3.44Å; E685-Q689 WeakPolarHBondContact O-CB 3.47Å; E685-Q689 VanDerWaalsContact O-CG 3.24Å; E685-Q689 WeakPolarHBondContact O-CG 3.48Å; E685-Q689 PolarHBondContact O-N 2.72Å
686	S	40	Very low	36	Very low	61 Å²	61	99.7 Å²	99.7	43%	0.427	54%	0.536	S	S	.	.	H	α-helix	trans	-70.1	-40.9	173.8	-65.4	0	0	0	0	113.2	E682 L683 I684 Q689 K690	E682-S686 WeakPolarHBondContact O-CB 3.42Å; E682-S686 PolarHBondContact O-N 3.13Å; E682-S686 PolarHBondContact O-OG 2.74Å; L683-S686 PolarHBondContact O-N 3.17Å; I684-S686 VanDerWaalsContact C-N 3.35Å; I684-S686 PolarHBondContact O-N 2.92Å; S686-Q689 PolarHBondContact O-N 2.66Å; S686-K690 WeakPolarHBondContact O-CG 3.21Å; S686-K690 PolarHBondContact O-N 2.85Å
687	A	35.5	Very low	36.5	Very low	48 Å²	48	102.5 Å²	102.5	40%	0.397	54%	0.543	S	S	.	.	H	α-helix	trans	-63.4	-47.3	174.7	0	0	0	0	0	110.5	L683 I684 Q689 K690 L691	L683-A687 WeakPolarHBondContact O-CB 3.32Å; L683-A687 PolarHBondContact O-N 2.92Å; I684-A687 PolarHBondContact O-N 3.38Å; A687-Q689 VanDerWaalsContact C-N 3.34Å; A687-Q689 PolarHBondContact O-N 3.08Å; A687-K690 PolarHBondContact O-N 3.01Å; A687-L691 WeakPolarHBondContact O-CB 3.28Å; A687-L691 VanDerWaalsContact O-CG 3.28Å; A687-L691 WeakPolarHBondContact O-CG 3.43Å; A687-L691 PolarHBondContact O-N 3.38Å
688	G	32.5	Very low	36.8	Very low	41 Å²	41	98.2 Å²	98.2	42%	0.423	53%	0.529	S	S	.	.	H	α-helix	trans	-58.5	-41.2	174.4	0	0	0	0	0	113.2	I684 S692	I684-G688 PolarHBondContact O-N 3.1Å; G688-S692 WeakPolarHBondContact O-CB 3.31Å; G688-S692 PolarHBondContact O-N 3.36Å
689	Q	36.4	Very low	36.7	Very low	128 Å²	128	100.3 Å²	100.3	60%	0.598	54%	0.538	S	S	*	.	H	α-helix	trans	-67.9	-40.3	176	-76.9	176	49.7	0	0	113.1	E685 S686 A687 S692 L693	E685-Q689 WeakPolarHBondContact O-CB 3.47Å; E685-Q689 VanDerWaalsContact O-CG 3.24Å; E685-Q689 WeakPolarHBondContact O-CG 3.48Å; E685-Q689 PolarHBondContact O-N 2.72Å; S686-Q689 PolarHBondContact O-N 2.66Å; A687-Q689 VanDerWaalsContact C-N 3.34Å; A687-Q689 PolarHBondContact O-N 3.08Å; Q689-S692 PolarHBondContact O-N 3.09Å; Q689-L693 PolarHBondContact O-N 3.3Å
690	K	35.5	Very low	36.8	Very low	159 Å²	159	106.6 Å²	106.6	69%	0.691	56%	0.563	S	S	*	*	H	α-helix	trans	-65	-47.8	175.5	-76.7	-178.6	176.7	179.8	0	111.8	S686 A687 S692 L693 D694	S686-K690 WeakPolarHBondContact O-CG 3.21Å; S686-K690 PolarHBondContact O-N 2.85Å; A687-K690 PolarHBondContact O-N 3.01Å; K690-S692 VanDerWaalsContact C-N 3.26Å; K690-S692 PolarHBondContact O-N 3.07Å; K690-L693 WeakPolarHBondContact O-CB 3.44Å; K690-L693 PolarHBondContact O-N 3.36Å; K690-L693 VanDerWaalsContact O-N 3.08Å; K690-D694 PolarHBondContact O-N 3.19Å
691	L	33.6	Very low	36.7	Very low	84 Å²	84	108.7 Å²	108.7	44%	0.44	58%	0.578	S	S	.	*	H	α-helix	trans	-61	-36.3	176.9	-66.3	168.3	0	0	0	111.7	A687 L693 A695 Y703	A687-L691 WeakPolarHBondContact O-CB 3.28Å; A687-L691 VanDerWaalsContact O-CG 3.28Å; A687-L691 WeakPolarHBondContact O-CG 3.43Å; A687-L691 PolarHBondContact O-N 3.38Å; L691-L693 VanDerWaalsContact C-N 3.32Å; L691-L693 PolarHBondContact O-N 3.16Å; L691-A695 VanDerWaalsContact O-CB 3.23Å; L691-A695 WeakPolarHBondContact O-CB 3.48Å; L691-A695 PolarHBondContact O-N 3.06Å; L691-Y703 HydrophobicContact CD2-CE2 3.85Å
692	S	37.1	Very low	36.1	Very low	78 Å²	78	108.7 Å²	108.7	55%	0.545	58%	0.581	S	S	.	*	H	α-helix	trans	-65.8	-28.5	174.9	-170.6	0	0	0	0	113.9	G688 Q689 K690	G688-S692 WeakPolarHBondContact O-CB 3.31Å; G688-S692 PolarHBondContact O-N 3.36Å; Q689-S692 PolarHBondContact O-N 3.09Å; K690-S692 VanDerWaalsContact C-N 3.26Å; K690-S692 PolarHBondContact O-N 3.07Å
693	L	39.9	Very low	35.6	Very low	142 Å²	142	107.5 Å²	107.5	74%	0.743	57%	0.572	S	S	*	*	H	α-helix	trans	-72.8	-44.9	-180	-115.6	74	0	0	0	112.7	Q689 K690 L691	Q689-L693 PolarHBondContact O-N 3.3Å; K690-L693 WeakPolarHBondContact O-CB 3.44Å; K690-L693 PolarHBondContact O-N 3.36Å; K690-L693 VanDerWaalsContact O-N 3.08Å; L691-L693 VanDerWaalsContact C-N 3.32Å; L691-L693 PolarHBondContact O-N 3.16Å
694	D	36.4	Very low	35.1	Very low	115 Å²	115	105.4 Å²	105.4	62%	0.615	56%	0.563	S	S	*	*	H	α-helix	trans	-89.1	-20.3	-174.4	-73.4	-44.5	0	0	0	114.3	K690 N696 K697 S698	K690-D694 PolarHBondContact O-N 3.19Å; D694-N696 PolarHBondContact O-N 3.01Å; D694-K697 PolarHBondContact O-N 3.27Å; D694-S698 PolarHBondContact O-N 3.44Å; D694-S698 PolarHBondContact O-OG 3.09Å
695	A	33.7	Very low	34.4	Very low	74 Å²	74	107.7 Å²	107.7	61%	0.612	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.7	-6.5	-179.5	0	0	0	0	0	115.9	L691	L691-A695 VanDerWaalsContact O-CB 3.23Å; L691-A695 WeakPolarHBondContact O-CB 3.48Å; L691-A695 PolarHBondContact O-N 3.06Å
696	N	38.9	Very low	33.9	Very low	142 Å²	142	107.1 Å²	107.1	76%	0.759	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-5.5	175.9	-74.9	-81.8	0	0	0	114.3	D694	D694-N696 PolarHBondContact O-N 3.01Å
697	K	40	Very low	33.4	Very low	201 Å²	201	106.5 Å²	106.5	87%	0.874	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146.6	-16.6	-175.4	-70.5	-169.8	179.8	176.1	0	117.6	D694	D694-K697 PolarHBondContact O-N 3.27Å
698	S	34.8	Very low	33	Very low	45 Å²	45	105.9 Å²	105.9	32%	0.315	57%	0.57	S	S	.	*			trans	-81.3	126.5	-179.2	57	0	0	0	0	112.3	D694	D694-S698 PolarHBondContact O-N 3.44Å; D694-S698 PolarHBondContact O-OG 3.09Å
699	D	31.2	Very low	32.7	Very low	119 Å²	119	108.6 Å²	108.6	64%	0.636	58%	0.578	S	S	*	*			trans	-64.9	159.2	165.4	-81.2	-47.1	0	0	0	110.8	Q701 D702 Y703	D699-Q701 PolarHBondContact O-N 3.45Å; D699-D702 PolarHBondContact O-N 3.32Å; D699-Y703 PolarHBondContact O-N 3.42Å
700	E	33.5	Very low	32.3	Very low	176 Å²	176	110.2 Å²	110.2	82%	0.822	58%	0.584	S	S	*	*	H	α-helix	trans	-52.8	-23.8	178.4	-66.6	-171.2	132.4	0	0	113.5	V704	E700-V704 WeakPolarHBondContact O-CG2 3.34Å; E700-V704 PolarHBondContact O-N 3.47Å
701	Q	31.2	Very low	32.1	Very low	157 Å²	157	104 Å²	104	73%	0.734	56%	0.558	S	S	*	*	H	α-helix	trans	-76.8	-34.8	-179.3	-62.1	-179.3	-84.1	0	0	112.7	D699 Q705	D699-Q701 PolarHBondContact O-N 3.45Å; Q701-Q705 WeakPolarHBondContact O-CB 3.48Å; Q701-Q705 PolarHBondContact O-N 2.87Å; Q701-Q705 VanDerWaalsContact O-N 3.1Å
702	D	27.5	Very low	31.8	Very low	92 Å²	92	103 Å²	103	49%	0.492	56%	0.561	S	S	.	*	H	α-helix	trans	-69.8	-39.2	174.8	-78.3	-26.2	0	0	0	111	D699 V704 Q705 C706	D699-D702 PolarHBondContact O-N 3.32Å; D702-V704 PolarHBondContact O-N 2.85Å; D702-Q705 PolarHBondContact O-N 3.28Å; D702-Q705 VanDerWaalsContact O-N 3.07Å; D702-C706 PolarHBondContact O-N 3.31Å
703	Y	28.2	Very low	31.4	Very low	95 Å²	95	102.6 Å²	102.6	37%	0.373	57%	0.57	S	S	.	*	H	α-helix	trans	-57.8	-48.3	175.8	-166	-86.3	0	0	0	111.3	L691 D699 Q705 C706 V707 T819	L691-Y703 HydrophobicContact CD2-CE2 3.85Å; D699-Y703 PolarHBondContact O-N 3.42Å; Y703-Q705 VanDerWaalsContact C-N 3.26Å; Y703-Q705 PolarHBondContact O-N 2.87Å; Y703-C706 PolarHBondContact O-N 2.9Å; Y703-V707 HydrophobicContact CD1-CG2 4.22Å; Y703-V707 HydrophobicContact CE1-CG2 4.13Å; Y703-V707 WeakPolarHBondContact O-CB 3.29Å; Y703-V707 WeakPolarHBondContact O-CG2 3.31Å; Y703-V707 PolarHBondContact O-N 3.44Å; Y703-T819 PolarHBondContact OH-O 3.33Å
704	V	31	Very low	31.1	Very low	68 Å²	68	100.6 Å²	100.6	41%	0.412	56%	0.558	S	S	.	*	H	α-helix	trans	-63	-31.6	175.8	169.9	0	0	0	0	112.3	E700 D702 G708	E700-V704 WeakPolarHBondContact O-CG2 3.34Å; E700-V704 PolarHBondContact O-N 3.47Å; D702-V704 PolarHBondContact O-N 2.85Å; V704-G708 PolarHBondContact O-N 2.84Å
705	Q	27.4	Very low	30.5	Very low	139 Å²	139	98.6 Å²	98.6	65%	0.65	57%	0.565	S	S	*	*	H	α-helix	trans	-80.2	-37.1	-179.9	-169.1	154.2	-34.7	0	0	112.7	Q701 D702 Y703 G708 T709	Q701-Q705 WeakPolarHBondContact O-CB 3.48Å; Q701-Q705 PolarHBondContact O-N 2.87Å; Q701-Q705 VanDerWaalsContact O-N 3.1Å; D702-Q705 PolarHBondContact O-N 3.28Å; D702-Q705 VanDerWaalsContact O-N 3.07Å; Y703-Q705 VanDerWaalsContact C-N 3.26Å; Y703-Q705 PolarHBondContact O-N 2.87Å; Q705-G708 PolarHBondContact O-N 3.03Å; Q705-T709 PolarHBondContact O-N 3.45Å; Q705-T709 PolarHBondContact O-OG1 2.91Å
706	C	26.7	Very low	30.2	Very low	86 Å²	86	100.2 Å²	100.2	58%	0.581	56%	0.56	S	S	*	*	H	α-helix	trans	-66.9	-42.9	172.4	-76	0	0	0	0	112.5	D702 Y703 G708 T709 F710	D702-C706 PolarHBondContact O-N 3.31Å; Y703-C706 PolarHBondContact O-N 2.9Å; C706-G708 VanDerWaalsContact C-N 3.32Å; C706-T709 PolarHBondContact O-N 3.41Å; C706-T709 PolarHBondContact O-OG1 3.17Å; C706-F710 WeakPolarHBondContact O-CB 3.4Å; C706-F710 PolarHBondContact O-N 2.87Å; C706-F710 VanDerWaalsContact O-N 3.09Å
707	V	30.4	Very low	29.6	Very low	47 Å²	47	102.2 Å²	102.2	29%	0.285	57%	0.565	S	S	.	*	H	α-helix	trans	-62.7	-42.6	172.1	172.3	0	0	0	0	110	Y703 T709 F710 I711	Y703-V707 HydrophobicContact CD1-CG2 4.22Å; Y703-V707 HydrophobicContact CE1-CG2 4.13Å; Y703-V707 WeakPolarHBondContact O-CB 3.29Å; Y703-V707 WeakPolarHBondContact O-CG2 3.31Å; Y703-V707 PolarHBondContact O-N 3.44Å; V707-T709 PolarHBondContact O-N 2.84Å; V707-F710 PolarHBondContact O-N 2.86Å; V707-I711 HydrophobicContact CG1-CD1 3.62Å; V707-I711 HydrophobicContact CG1-CG1 4.37Å; V707-I711 WeakPolarHBondContact O-CB 3.41Å; V707-I711 VanDerWaalsContact O-CG1 3.24Å; V707-I711 WeakPolarHBondContact O-CG1 3.4Å; V707-I711 PolarHBondContact O-N 2.98Å
708	G	26.6	Very low	29.1	Very low	35 Å²	35	99.8 Å²	99.8	36%	0.361	56%	0.562	S	S	.	*	H	α-helix	trans	-61.1	-40.9	176.9	0	0	0	0	0	114.6	V704 Q705 C706 A712	V704-G708 PolarHBondContact O-N 2.84Å; Q705-G708 PolarHBondContact O-N 3.03Å; C706-G708 VanDerWaalsContact C-N 3.32Å; G708-A712 WeakPolarHBondContact O-CB 3.37Å; G708-A712 PolarHBondContact O-N 3.01Å
709	T	27.9	Very low	28.7	Very low	98 Å²	98	100.8 Å²	100.8	60%	0.601	56%	0.562	S	S	*	*	H	α-helix	trans	-76.2	-30.2	178	50.4	0	0	0	0	113.3	Q705 C706 V707 A712	Q705-T709 PolarHBondContact O-N 3.45Å; Q705-T709 PolarHBondContact O-OG1 2.91Å; C706-T709 PolarHBondContact O-N 3.41Å; C706-T709 PolarHBondContact O-OG1 3.17Å; V707-T709 PolarHBondContact O-N 2.84Å; T709-A712 PolarHBondContact O-N 3.03Å
710	F	27.8	Very low	28.5	Very low	163 Å²	163	99.5 Å²	99.5	72%	0.715	56%	0.555	S	S	*	*	H	α-helix	trans	-68.7	-45	174	-154.1	-96.7	0	0	0	110.9	C706 V707 A712 G713	C706-F710 WeakPolarHBondContact O-CB 3.4Å; C706-F710 PolarHBondContact O-N 2.87Å; C706-F710 VanDerWaalsContact O-N 3.09Å; V707-F710 PolarHBondContact O-N 2.86Å; F710-A712 VanDerWaalsContact C-N 3.28Å; F710-A712 PolarHBondContact O-N 3.34Å; F710-G713 PolarHBondContact O-N 3.17Å
711	I	30.7	Very low	28.2	Very low	29 Å²	29	96 Å²	96	15%	0.149	55%	0.547	C	S	.	.	H	α-helix	trans	-63.1	-32.7	175	-68.9	175	0	0	0	111.8	V707 G713 I714 H716 I719	V707-I711 HydrophobicContact CG1-CD1 3.62Å; V707-I711 HydrophobicContact CG1-CG1 4.37Å; V707-I711 WeakPolarHBondContact O-CB 3.41Å; V707-I711 VanDerWaalsContact O-CG1 3.24Å; V707-I711 WeakPolarHBondContact O-CG1 3.4Å; V707-I711 PolarHBondContact O-N 2.98Å; I711-G713 PolarHBondContact O-N 3.16Å; I711-G713 VanDerWaalsContact O-N 3.13Å; I711-I714 WeakPolarHBondContact O-CA 3.49Å; I711-I714 PolarHBondContact O-N 3.48Å; I711-H716 VanDerWaalsContact CG2-CE1 3.48Å; I711-H716 WeakPolarHBondContact CG2-CE1 3.46Å; I711-I719 HydrophobicContact CD1-CG2 4.47Å; I711-I719 HydrophobicContact CG2-CB 4.45Å; I711-I719 HydrophobicContact CG2-CD1 3.57Å; I711-I719 HydrophobicContact CG2-CG2 3.95Å
712	A	28.1	Very low	28	Very low	62 Å²	62	92.5 Å²	92.5	51%	0.512	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.1	178.2	0	0	0	0	0	114.6	G708 T709 F710 I714	G708-A712 WeakPolarHBondContact O-CB 3.37Å; G708-A712 PolarHBondContact O-N 3.01Å; T709-A712 PolarHBondContact O-N 3.03Å; F710-A712 VanDerWaalsContact C-N 3.28Å; F710-A712 PolarHBondContact O-N 3.34Å; A712-I714 VanDerWaalsContact C-N 3.34Å
713	G	28.1	Very low	27.9	Very low	70 Å²	70	95.2 Å²	95.2	72%	0.722	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-13.4	169.6	0	0	0	0	0	114.4	F710 I711	F710-G713 PolarHBondContact O-N 3.17Å; I711-G713 PolarHBondContact O-N 3.16Å; I711-G713 VanDerWaalsContact O-N 3.13Å
714	I	33	Very low	27.8	Very low	99 Å²	99	101.8 Å²	101.8	51%	0.508	57%	0.565	S	S	.	*	S	Bend	trans	-115.1	68.9	-168.2	-46	177	0	0	0	110.3	I711 A712 H716	I711-I714 WeakPolarHBondContact O-CA 3.49Å; I711-I714 PolarHBondContact O-N 3.48Å; A712-I714 VanDerWaalsContact C-N 3.34Å; I714-H716 PolarHBondContact O-N 3.25Å
715	G	24.6	Very low	27.6	Very low	74 Å²	74	110.6 Å²	110.6	76%	0.763	59%	0.59	S	S	*	*			trans	49.2	57.8	157.6	0	0	0	0	0	117.2	Q717	G715-Q717 PolarHBondContact O-N 3.13Å; G715-Q717 VanDerWaalsContact O-N 3.1Å
716	H	26.7	Very low	27.7	Very low	107 Å²	107	106.5 Å²	106.5	50%	0.495	58%	0.581	S	S	.	*			trans	-57.5	111	178.7	-83.8	-68.1	0	0	0	114.3	I711 I714	I711-H716 VanDerWaalsContact CG2-CE1 3.48Å; I711-H716 WeakPolarHBondContact CG2-CE1 3.46Å; I714-H716 PolarHBondContact O-N 3.25Å
717	Q	26.7	Very low	28.2	Very low	184 Å²	184	105.1 Å²	105.1	86%	0.86	57%	0.568	S	S	*	*	S	Bend	trans	-134	-45.8	140.6	-68.3	-161.6	-1.4	0	0	112.2	G715	G715-Q717 PolarHBondContact O-N 3.13Å; G715-Q717 VanDerWaalsContact O-N 3.1Å
718	D	29.6	Very low	28.3	Very low	151 Å²	151	104.4 Å²	104.4	81%	0.807	57%	0.569	S	S	*	*	S	Bend	trans	-99.7	12	-167.5	-55	-62.2	0	0	0	116.8	I720	D718-I720 PolarHBondContact O-N 2.92Å
719	I	26.8	Very low	29	Very low	65 Å²	65	103.7 Å²	103.7	33%	0.333	56%	0.557	S	S	.	*			trans	-88.5	94.7	-167.3	-51.3	-178.7	0	0	0	111.6	I711 P721	I711-I719 HydrophobicContact CD1-CG2 4.47Å; I711-I719 HydrophobicContact CG2-CB 4.45Å; I711-I719 HydrophobicContact CG2-CD1 3.57Å; I711-I719 HydrophobicContact CG2-CG2 3.95Å; I719-P721 WeakPolarHBondContact O-CD 3.41Å
720	I	26.2	Very low	29.5	Very low	93 Å²	93	101.3 Å²	101.3	48%	0.477	54%	0.54	S	S	.	.			trans	-71.8	118.2	179.5	-56.1	177	0	0	0	110.9	D718 L722 R734	D718-I720 PolarHBondContact O-N 2.92Å; I720-L722 PolarHBondContact O-N 3.1Å; I720-R734 HydrophobicContact CD1-CB 4.32Å
721	P	27.6	Very low	30	Very low	102 Å²	102	94.9 Å²	94.9	66%	0.662	52%	0.515	S	S	*	.			trans	-69.8	124.9	176.5	-18.2	32.4	0	0	0	111.9	I719 K723	I719-P721 WeakPolarHBondContact O-CD 3.41Å; P721-K723 PolarHBondContact O-N 3Å
722	L	27	Very low	30.5	Very low	83 Å²	83	94.5 Å²	94.5	44%	0.435	51%	0.513	S	S	.	.			trans	-74.4	44.8	179.6	-69.7	174.1	0	0	0	114	I720 R724 V731 C818 T819	I720-L722 PolarHBondContact O-N 3.1Å; L722-R724 PolarHBondContact O-N 2.85Å; L722-V731 HydrophobicContact CD2-CG1 4.02Å; L722-V731 HydrophobicContact CD2-CG2 3.79Å; L722-C818 HydrophobicContact CD1-CB 4.49Å; L722-T819 HydrophobicContact CD1-CG2 4.07Å
723	K	25.4	Very low	31.1	Very low	150 Å²	150	99.7 Å²	99.7	65%	0.652	52%	0.519	S	S	*	.			trans	-83	100.6	177.5	-80.9	-178	175.3	171.9	0	112.1	P721	P721-K723 PolarHBondContact O-N 3Å
724	R	26.6	Very low	31.5	Very low	233 Å²	233	104.5 Å²	104.5	88%	0.879	52%	0.515	S	S	*	.	S	Bend	trans	72.7	123.3	164.4	-59.3	175.9	169.4	173	-4.3	116.9	L722 A726	L722-R724 PolarHBondContact O-N 2.85Å; R724-A726 PolarHBondContact O-N 3.44Å
725	R	25.8	Very low	31.7	Very low	252 Å²	252	101.8 Å²	101.8	95%	0.951	50%	0.504	S	S	*	.			trans	61.4	21	155	-58.7	-174.5	177.9	-171.3	-1	118.8
726	A	30	Very low	32	Very low	54 Å²	54	100.8 Å²	100.8	45%	0.446	49%	0.493	S	S	.	.			trans	-70.6	135.4	162.3	0	0	0	0	0	110	R724 V731	R724-A726 PolarHBondContact O-N 3.44Å; A726-V731 HydrophobicContact CB-CG2 3.73Å
727	N	37.2	Very low	32.4	Very low	57 Å²	57	96.2 Å²	96.2	31%	0.305	47%	0.473	S	S	.	.			trans	-64.6	146.8	168.3	-60.8	-60.3	0	0	0	109.1	I729 D730 V731 T754	N727-I729 PolarHBondContact O-N 2.92Å; N727-D730 HydrophobicContact CB-CB 4.36Å; N727-D730 WeakPolarHBondContact CB-OD2 3.46Å; N727-D730 PolarHBondContact ND2-OD2 3.47Å; N727-D730 PolarHBondContact O-N 3.07Å; N727-V731 PolarHBondContact O-N 3.35Å; N727-T754 WeakPolarHBondContact OD1-CG2 3.49Å
728	G	32.2	Very low	33	Very low	31 Å²	31	89.9 Å²	89.9	32%	0.32	45%	0.449	S	S	.	.	H	α-helix	trans	-54.2	-38.3	175.1	0	0	0	0	0	112.5	D730 V731 L732	G728-D730 VanDerWaalsContact C-N 3.33Å; G728-D730 PolarHBondContact O-N 3.44Å; G728-V731 PolarHBondContact O-N 3.47Å; G728-L732 WeakPolarHBondContact O-CB 3.24Å; G728-L732 WeakPolarHBondContact O-CD1 3.41Å; G728-L732 WeakPolarHBondContact O-CG 3.25Å; G728-L732 PolarHBondContact O-N 3.01Å
729	I	40.1	Very low	33.4	Very low	21 Å²	21	89 Å²	89	11%	0.108	43%	0.434	C	S	.	.	H	α-helix	trans	-61.1	-36.7	173.1	-72.3	-173	0	0	0	113.2	N727 L732 R733 L747 L750 S751	N727-I729 PolarHBondContact O-N 2.92Å; I729-L732 PolarHBondContact O-N 3.02Å; I729-R733 HydrophobicContact CG2-CG 4.42Å; I729-R733 WeakPolarHBondContact O-CB 3.5Å; I729-R733 WeakPolarHBondContact O-CG 3.39Å; I729-R733 PolarHBondContact O-N 3.13Å; I729-L747 HydrophobicContact CD1-CD2 4.46Å; I729-L750 HydrophobicContact CD1-CB 4.22Å; I729-L750 HydrophobicContact CG1-CB 3.7Å; I729-L750 WeakPolarHBondContact CG1-O 3.45Å; I729-S751 WeakPolarHBondContact CD1-OG 3.47Å
730	D	39.8	Very low	33.9	Very low	47 Å²	47	91.9 Å²	91.9	25%	0.251	45%	0.449	S	S	.	.	H	α-helix	trans	-81.3	-26.1	-176.6	-58.5	-32.2	0	0	0	111.5	N727 G728 R733 R734	N727-D730 HydrophobicContact CB-CB 4.36Å; N727-D730 WeakPolarHBondContact CB-OD2 3.46Å; N727-D730 PolarHBondContact ND2-OD2 3.47Å; N727-D730 PolarHBondContact O-N 3.07Å; G728-D730 VanDerWaalsContact C-N 3.33Å; G728-D730 PolarHBondContact O-N 3.44Å; D730-R733 IonicContact OD1-CZ 2.65Å; D730-R733 IonicContact OD1-NE 2.77Å; D730-R733 PolarHBondContact OD1-NE 3.39Å; D730-R733 IonicContact OD1-NH2 2.58Å; D730-R733 PolarHBondContact OD1-NH2 3.09Å; D730-R734 VanDerWaalsContact O-CD 3.32Å; D730-R734 WeakPolarHBondContact O-CD 3.36Å; D730-R734 WeakPolarHBondContact O-CG 3.37Å; D730-R734 PolarHBondContact O-N 2.91Å
731	V	37.7	Very low	34.4	Very low	29 Å²	29	92.8 Å²	92.8	18%	0.176	45%	0.447	C	S	.	.	H	α-helix	trans	-64.6	-51.4	164	179.7	0	0	0	0	110	L722 A726 N727 G728 R733 R734 T735	L722-V731 HydrophobicContact CD2-CG1 4.02Å; L722-V731 HydrophobicContact CD2-CG2 3.79Å; A726-V731 HydrophobicContact CB-CG2 3.73Å; N727-V731 PolarHBondContact O-N 3.35Å; G728-V731 PolarHBondContact O-N 3.47Å; V731-R733 VanDerWaalsContact C-N 3.35Å; V731-R733 PolarHBondContact O-N 3.47Å; V731-R734 WeakPolarHBondContact O-CB 3.38Å; V731-R734 PolarHBondContact O-N 3.29Å; V731-T735 PolarHBondContact O-N 2.83Å
732	L	41	Very low	35	Very low	20 Å²	20	89.3 Å²	89.3	11%	0.105	42%	0.422	C	S	.	.	H	α-helix	trans	-69.7	-29.6	-175.1	-65.6	163.2	0	0	0	113.3	G728 I729 R734 T735 V737 F742 L750 I815	G728-L732 WeakPolarHBondContact O-CB 3.24Å; G728-L732 WeakPolarHBondContact O-CD1 3.41Å; G728-L732 WeakPolarHBondContact O-CG 3.25Å; G728-L732 PolarHBondContact O-N 3.01Å; I729-L732 PolarHBondContact O-N 3.02Å; L732-R734 VanDerWaalsContact C-N 3.34Å; L732-T735 WeakPolarHBondContact CA-OG1 3.42Å; L732-T735 PolarHBondContact O-N 3.05Å; L732-T735 PolarHBondContact O-OG1 2.91Å; L732-T735 VanDerWaalsContact O-OG1 3.14Å; L732-V737 PolarHBondContact O-N 3.19Å; L732-F742 HydrophobicContact CB-CZ 3.89Å; L732-F742 HydrophobicContact CD1-CE1 3.68Å; L732-F742 HydrophobicContact CD1-CZ 3.74Å; L732-F742 HydrophobicContact CD2-CE1 4.03Å; L732-F742 HydrophobicContact CD2-CZ 3.86Å; L732-F742 HydrophobicContact CG-CE1 4.31Å; L732-F742 HydrophobicContact CG-CZ 4.02Å; L732-L750 HydrophobicContact CD1-CD1 3.54Å; L732-L750 HydrophobicContact CD1-CD2 4.1Å; L732-L750 HydrophobicContact CD1-CG 4.44Å; L732-I815 HydrophobicContact CD2-CD1 3.99Å
733	R	41.7	Very low	35.6	Very low	172 Å²	172	90.5 Å²	90.5	65%	0.649	43%	0.429	S	S	*	.	H	α-helix	trans	-64.9	-34.5	167.7	-82.8	-166.6	-91.7	-161.6	-1.9	112.8	I729 D730 V731 T735	I729-R733 HydrophobicContact CG2-CG 4.42Å; I729-R733 WeakPolarHBondContact O-CB 3.5Å; I729-R733 WeakPolarHBondContact O-CG 3.39Å; I729-R733 PolarHBondContact O-N 3.13Å; D730-R733 IonicContact OD1-CZ 2.65Å; D730-R733 IonicContact OD1-NE 2.77Å; D730-R733 PolarHBondContact OD1-NE 3.39Å; D730-R733 IonicContact OD1-NH2 2.58Å; D730-R733 PolarHBondContact OD1-NH2 3.09Å; V731-R733 VanDerWaalsContact C-N 3.35Å; V731-R733 PolarHBondContact O-N 3.47Å; R733-T735 VanDerWaalsContact C-N 3.33Å
734	R	36.5	Very low	36.2	Very low	170 Å²	170	87.3 Å²	87.3	64%	0.642	43%	0.425	S	S	*	.	H	α-helix	trans	-75.6	-20.6	177.9	-72.9	167.6	-179.6	-159.7	-2.9	113.2	I720 D730 V731 L732	I720-R734 HydrophobicContact CD1-CB 4.32Å; D730-R734 VanDerWaalsContact O-CD 3.32Å; D730-R734 WeakPolarHBondContact O-CD 3.36Å; D730-R734 WeakPolarHBondContact O-CG 3.37Å; D730-R734 PolarHBondContact O-N 2.91Å; V731-R734 WeakPolarHBondContact O-CB 3.38Å; V731-R734 PolarHBondContact O-N 3.29Å; L732-R734 VanDerWaalsContact C-N 3.34Å
735	T	36.8	Very low	36.8	Very low	43 Å²	43	79.2 Å²	79.2	26%	0.264	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	16.3	179.7	58.2	0	0	0	0	113.8	V731 L732 R733 V737 I815	V731-T735 PolarHBondContact O-N 2.83Å; L732-T735 WeakPolarHBondContact CA-OG1 3.42Å; L732-T735 PolarHBondContact O-N 3.05Å; L732-T735 PolarHBondContact O-OG1 2.91Å; L732-T735 VanDerWaalsContact O-OG1 3.14Å; R733-T735 VanDerWaalsContact C-N 3.33Å; T735-V737 PolarHBondContact O-N 3.13Å; T735-V737 VanDerWaalsContact O-N 3.07Å; T735-I815 HydrophobicContact CG2-CD1 4Å; T735-I815 HydrophobicContact CG2-CG1 4.23Å
736	G	30.6	Very low	37.6	Very low	52 Å²	52	68.8 Å²	68.8	54%	0.536	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	5.2	178.1	0	0	0	0	0	115.4	S738	G736-S738 PolarHBondContact O-N 3.06Å
737	V	35.8	Very low	38.3	Very low	12 Å²	12	67.9 Å²	67.9	7%	0.073	35%	0.35	C	S	.	.			trans	-77.8	102.7	-174.1	-176.1	0	0	0	0	109.1	L732 T735 Y741 F742 L808	L732-V737 PolarHBondContact O-N 3.19Å; T735-V737 PolarHBondContact O-N 3.13Å; T735-V737 VanDerWaalsContact O-N 3.07Å; V737-Y741 HydrophobicContact CG1-CD2 4.33Å; V737-F742 HydrophobicContact CB-CE2 4.21Å; V737-F742 HydrophobicContact CB-CZ 3.91Å; V737-F742 HydrophobicContact CG1-CE1 4.18Å; V737-F742 HydrophobicContact CG1-CE2 3.55Å; V737-F742 HydrophobicContact CG1-CZ 3.28Å; V737-L808 HydrophobicContact CG1-CD1 4.09Å
738	S	38.3	Very low	38.5	Very low	51 Å²	51	70.1 Å²	70.1	36%	0.357	35%	0.354	S	S	.	.			trans	-54.7	146.8	178.5	-178.7	0	0	0	0	112.1	G736 I740 Y741	G736-S738 PolarHBondContact O-N 3.06Å; S738-I740 PolarHBondContact O-N 3.42Å; S738-I740 WeakPolarHBondContact OG-CG1 3.3Å; S738-Y741 WeakPolarHBondContact O-CD2 3.48Å; S738-Y741 PolarHBondContact O-N 3.39Å; S738-Y741 VanDerWaalsContact O-N 3.11Å
739	R	38.2	Very low	38.9	Very low	133 Å²	133	72.7 Å²	72.7	50%	0.502	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-54.1	-24.7	176.6	-88	-169.6	168.7	-173	-4.4	113.4	Y741 F742 L747	R739-Y741 PolarHBondContact O-N 2.89Å; R739-F742 PolarHBondContact O-N 2.8Å; R739-L747 HydrophobicContact CB-CD1 4.11Å; R739-L747 HydrophobicContact CG-CD1 4.11Å; R739-L747 HydrophobicContact CG-CD2 4.31Å
740	I	36.8	Very low	38.9	Very low	125 Å²	125	73.5 Å²	73.5	64%	0.641	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-60.7	-28.2	-179.4	-55.7	167.2	0	0	0	112.1	S738	S738-I740 PolarHBondContact O-N 3.42Å; S738-I740 WeakPolarHBondContact OG-CG1 3.3Å
741	Y	36.2	Very low	38.7	Very low	111 Å²	111	73.4 Å²	73.4	44%	0.435	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-86.5	-3.4	-176.6	-60.6	-74.1	0	0	0	114.9	V737 S738 R739 T804 L808	V737-Y741 HydrophobicContact CG1-CD2 4.33Å; S738-Y741 WeakPolarHBondContact O-CD2 3.48Å; S738-Y741 PolarHBondContact O-N 3.39Å; S738-Y741 VanDerWaalsContact O-N 3.11Å; R739-Y741 PolarHBondContact O-N 2.89Å; Y741-T804 HydrophobicContact CD1-CG2 4.22Å; Y741-T804 HydrophobicContact CE1-CG2 4.27Å; Y741-L808 HydrophobicContact CD1-CD1 3.99Å; Y741-L808 HydrophobicContact CD1-CD2 3.64Å; Y741-L808 HydrophobicContact CD1-CG 4.47Å; Y741-L808 HydrophobicContact CD2-CD1 3.45Å; Y741-L808 VanDerWaalsContact CD2-CD1 3.45Å; Y741-L808 HydrophobicContact CD2-CD2 4.39Å; Y741-L808 HydrophobicContact CE1-CD1 4.1Å; Y741-L808 HydrophobicContact CE1-CD2 4.25Å; Y741-L808 HydrophobicContact CE2-CD1 3.57Å; Y741-L808 HydrophobicContact CG-CD1 3.67Å; Y741-L808 HydrophobicContact CG-CD2 3.72Å; Y741-L808 HydrophobicContact CG-CG 4.36Å
742	F	41.3	Very low	38.7	Very low	30 Å²	30	75.6 Å²	75.6	13%	0.132	38%	0.378	C	S	.	.	S	Bend	trans	-106.1	131.1	175.4	-51.6	-81.2	0	0	0	109.8	L732 V737 R739 L746 L747 L750	L732-F742 HydrophobicContact CB-CZ 3.89Å; L732-F742 HydrophobicContact CD1-CE1 3.68Å; L732-F742 HydrophobicContact CD1-CZ 3.74Å; L732-F742 HydrophobicContact CD2-CE1 4.03Å; L732-F742 HydrophobicContact CD2-CZ 3.86Å; L732-F742 HydrophobicContact CG-CE1 4.31Å; L732-F742 HydrophobicContact CG-CZ 4.02Å; V737-F742 HydrophobicContact CB-CE2 4.21Å; V737-F742 HydrophobicContact CB-CZ 3.91Å; V737-F742 HydrophobicContact CG1-CE1 4.18Å; V737-F742 HydrophobicContact CG1-CE2 3.55Å; V737-F742 HydrophobicContact CG1-CZ 3.28Å; R739-F742 PolarHBondContact O-N 2.8Å; F742-L746 HydrophobicContact CB-CD2 4.31Å; F742-L746 HydrophobicContact CB-CG 4.42Å; F742-L746 HydrophobicContact CD1-CD2 3.76Å; F742-L746 HydrophobicContact CD1-CG 4.21Å; F742-L747 HydrophobicContact CB-CB 4.4Å; F742-L747 HydrophobicContact CB-CD1 4.28Å; F742-L747 HydrophobicContact CB-CG 4.04Å; F742-L750 HydrophobicContact CD1-CD1 4.23Å; F742-L750 HydrophobicContact CE1-CD1 4.49Å
743	D	40.4	Very low	38.4	Very low	108 Å²	108	80.9 Å²	80.9	58%	0.578	41%	0.407	S	S	*	.			trans	-56.8	143.6	166.6	-164.5	-30.2	0	0	0	109.5	D745 L746 L747	D743-D745 PolarHBondContact O-N 3.29Å; D743-D745 VanDerWaalsContact O-N 3.1Å; D743-D745 PolarHBondContact OD1-N 2.99Å; D743-L746 CarbonylContact O-C 3.54Å; D743-L746 WeakPolarHBondContact O-CA 3.39Å; D743-L746 WeakPolarHBondContact O-CB 3.3Å; D743-L746 PolarHBondContact O-N 2.83Å; D743-L747 PolarHBondContact O-N 3.45Å
744	S	37.7	Very low	37.8	Very low	82 Å²	82	77.1 Å²	77.1	57%	0.573	40%	0.403	S	S	*	.	H	α-helix	trans	-41.7	-38.9	170.3	61.1	0	0	0	0	114.4	R748	S744-R748 VanDerWaalsContact O-CB 3.31Å; S744-R748 WeakPolarHBondContact O-CB 3.38Å; S744-R748 PolarHBondContact O-N 2.87Å
745	D	39	Very low	37.4	Very low	64 Å²	64	73.2 Å²	73.2	34%	0.342	40%	0.401	S	S	.	.	H	α-helix	trans	-69.4	-42.1	176.3	-85	-3.9	0	0	0	112.6	D743 R748 H749	D743-D745 PolarHBondContact O-N 3.29Å; D743-D745 VanDerWaalsContact O-N 3.1Å; D743-D745 PolarHBondContact OD1-N 2.99Å; D745-R748 VanDerWaalsContact CG-NH2 3.3Å; D745-R748 WeakPolarHBondContact O-CB 3.37Å; D745-R748 PolarHBondContact O-N 3.42Å; D745-R748 IonicContact OD1-CZ 2.65Å; D745-R748 IonicContact OD1-NH1 3.42Å; D745-R748 PolarHBondContact OD1-NH1 2.98Å; D745-R748 IonicContact OD1-NH2 3.65Å; D745-R748 PolarHBondContact OD1-NH2 3.18Å; D745-R748 IonicContact OD2-NH2 2.67Å; D745-H749 PolarHBondContact O-CD2 2.92Å; D745-H749 PolarHBondContact O-N 3.39Å
746	L	42.1	Very low	36.9	Very low	33 Å²	33	76.4 Å²	76.4	17%	0.173	43%	0.426	C	S	.	.	H	α-helix	trans	-69.8	-41.4	176.1	177.8	57.8	0	0	0	111.2	F742 D743 R748 H749 L750 L796	F742-L746 HydrophobicContact CB-CD2 4.31Å; F742-L746 HydrophobicContact CB-CG 4.42Å; F742-L746 HydrophobicContact CD1-CD2 3.76Å; F742-L746 HydrophobicContact CD1-CG 4.21Å; D743-L746 CarbonylContact O-C 3.54Å; D743-L746 WeakPolarHBondContact O-CA 3.39Å; D743-L746 WeakPolarHBondContact O-CB 3.3Å; D743-L746 PolarHBondContact O-N 2.83Å; L746-R748 VanDerWaalsContact C-N 3.29Å; L746-R748 PolarHBondContact O-N 3.01Å; L746-H749 PolarHBondContact O-N 3.23Å; L746-L750 HydrophobicContact CD1-CD1 3.91Å; L746-L750 HydrophobicContact CD1-CG 4.14Å; L746-L750 HydrophobicContact CG-CD1 3.87Å; L746-L750 WeakPolarHBondContact O-CB 3.15Å; L746-L750 WeakPolarHBondContact O-CD1 3.47Å; L746-L750 VanDerWaalsContact O-CG 3.25Å; L746-L750 WeakPolarHBondContact O-CG 3.46Å; L746-L750 PolarHBondContact O-N 3.3Å; L746-L796 HydrophobicContact CD1-CD1 4.04Å; L746-L796 HydrophobicContact CD2-CD1 3.54Å; L746-L796 HydrophobicContact CD2-CD2 3.75Å; L746-L796 HydrophobicContact CD2-CG 4.27Å; L746-L796 HydrophobicContact CG-CD1 4.45Å
747	L	44.4	Very low	36.9	Very low	35 Å²	35	79.4 Å²	79.4	18%	0.183	43%	0.429	C	S	.	.	H	α-helix	trans	-61	-38.8	172.8	-122.8	168.6	0	0	0	111.1	I729 R739 F742 D743 S751	I729-L747 HydrophobicContact CD1-CD2 4.46Å; R739-L747 HydrophobicContact CB-CD1 4.11Å; R739-L747 HydrophobicContact CG-CD1 4.11Å; R739-L747 HydrophobicContact CG-CD2 4.31Å; F742-L747 HydrophobicContact CB-CB 4.4Å; F742-L747 HydrophobicContact CB-CD1 4.28Å; F742-L747 HydrophobicContact CB-CG 4.04Å; D743-L747 PolarHBondContact O-N 3.45Å; L747-S751 VanDerWaalsContact O-CB 3.32Å; L747-S751 WeakPolarHBondContact O-CB 3.48Å; L747-S751 PolarHBondContact O-N 3.3Å; L747-S751 PolarHBondContact O-OG 3.25Å
748	R	41.1	Very low	36.5	Very low	104 Å²	104	86.7 Å²	86.7	39%	0.392	46%	0.462	S	S	.	.	H	α-helix	trans	-63	-52.1	171.4	-175.9	175.5	66.4	-110.9	-4.4	110.9	S744 D745 L746 L750 S751 T752	S744-R748 VanDerWaalsContact O-CB 3.31Å; S744-R748 WeakPolarHBondContact O-CB 3.38Å; S744-R748 PolarHBondContact O-N 2.87Å; D745-R748 VanDerWaalsContact CG-NH2 3.3Å; D745-R748 WeakPolarHBondContact O-CB 3.37Å; D745-R748 PolarHBondContact O-N 3.42Å; D745-R748 IonicContact OD1-CZ 2.65Å; D745-R748 IonicContact OD1-NH1 3.42Å; D745-R748 PolarHBondContact OD1-NH1 2.98Å; D745-R748 IonicContact OD1-NH2 3.65Å; D745-R748 PolarHBondContact OD1-NH2 3.18Å; D745-R748 IonicContact OD2-NH2 2.67Å; L746-R748 VanDerWaalsContact C-N 3.29Å; L746-R748 PolarHBondContact O-N 3.01Å; R748-L750 VanDerWaalsContact C-N 3.32Å; R748-L750 PolarHBondContact O-N 2.81Å; R748-S751 CarbonylContact O-C 3.59Å; R748-S751 WeakPolarHBondContact O-CA 3.41Å; R748-S751 WeakPolarHBondContact O-CB 3.41Å; R748-S751 PolarHBondContact O-N 3.03Å; R748-T752 HydrophobicContact CG-CG2 4.07Å; R748-T752 WeakPolarHBondContact O-CG2 3.47Å; R748-T752 PolarHBondContact O-N 2.73Å; R748-T752 PolarHBondContact O-OG1 3.03Å
749	H	41.8	Very low	36	Very low	84 Å²	84	91.2 Å²	91.2	39%	0.389	48%	0.478	S	S	.	.	H	α-helix	trans	-58.3	-40.5	179.6	-82.6	-58	0	0	0	113.7	D745 L746 S751 T752 F771	D745-H749 PolarHBondContact O-CD2 2.92Å; D745-H749 PolarHBondContact O-N 3.39Å; L746-H749 PolarHBondContact O-N 3.23Å; H749-S751 VanDerWaalsContact C-N 3.29Å; H749-S751 PolarHBondContact O-N 3.41Å; H749-T752 WeakPolarHBondContact CA-OG1 3.37Å; H749-T752 PolarHBondContact O-OG1 3.21Å; H749-F771 AromaticContact CE1-CE1 3.6Å; H749-F771 AromaticContact CE1-CZ 3.96Å; H749-F771 AromaticContact NE2-CE1 3.85Å
750	L	39.4	Very low	35.4	Very low	39 Å²	39	89.7 Å²	89.7	20%	0.204	49%	0.488	C	S	.	.	H	α-helix	trans	-71.3	-23.9	175.7	-66.5	163.8	0	0	0	112.6	I729 L732 F742 L746 R748	I729-L750 HydrophobicContact CD1-CB 4.22Å; I729-L750 HydrophobicContact CG1-CB 3.7Å; I729-L750 WeakPolarHBondContact CG1-O 3.45Å; L732-L750 HydrophobicContact CD1-CD1 3.54Å; L732-L750 HydrophobicContact CD1-CD2 4.1Å; L732-L750 HydrophobicContact CD1-CG 4.44Å; F742-L750 HydrophobicContact CD1-CD1 4.23Å; F742-L750 HydrophobicContact CE1-CD1 4.49Å; L746-L750 HydrophobicContact CD1-CD1 3.91Å; L746-L750 HydrophobicContact CD1-CG 4.14Å; L746-L750 HydrophobicContact CG-CD1 3.87Å; L746-L750 WeakPolarHBondContact O-CB 3.15Å; L746-L750 WeakPolarHBondContact O-CD1 3.47Å; L746-L750 VanDerWaalsContact O-CG 3.25Å; L746-L750 WeakPolarHBondContact O-CG 3.46Å; L746-L750 PolarHBondContact O-N 3.3Å; R748-L750 VanDerWaalsContact C-N 3.32Å; R748-L750 PolarHBondContact O-N 2.81Å
751	S	35.9	Very low	34.8	Very low	44 Å²	44	87 Å²	87	31%	0.308	49%	0.491	S	S	.	.	H	α-helix	trans	-84.6	-30.4	174.9	-57	0	0	0	0	113.5	I729 L747 R748 H749 N753 T754	I729-S751 WeakPolarHBondContact CD1-OG 3.47Å; L747-S751 VanDerWaalsContact O-CB 3.32Å; L747-S751 WeakPolarHBondContact O-CB 3.48Å; L747-S751 PolarHBondContact O-N 3.3Å; L747-S751 PolarHBondContact O-OG 3.25Å; R748-S751 CarbonylContact O-C 3.59Å; R748-S751 WeakPolarHBondContact O-CA 3.41Å; R748-S751 WeakPolarHBondContact O-CB 3.41Å; R748-S751 PolarHBondContact O-N 3.03Å; H749-S751 VanDerWaalsContact C-N 3.29Å; H749-S751 PolarHBondContact O-N 3.41Å; S751-N753 PolarHBondContact O-N 3.02Å; S751-T754 PolarHBondContact O-N 3.16Å; S751-T754 PolarHBondContact O-OG1 2.99Å
752	T	38.2	Very low	34.2	Very low	76 Å²	76	91 Å²	91	47%	0.466	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-8.9	-170.9	40.2	0	0	0	0	115.1	R748 H749 T754	R748-T752 HydrophobicContact CG-CG2 4.07Å; R748-T752 WeakPolarHBondContact O-CG2 3.47Å; R748-T752 PolarHBondContact O-N 2.73Å; R748-T752 PolarHBondContact O-OG1 3.03Å; H749-T752 WeakPolarHBondContact CA-OG1 3.37Å; H749-T752 PolarHBondContact O-OG1 3.21Å; T752-T754 VanDerWaalsContact C-N 3.25Å; T752-T754 PolarHBondContact O-N 2.93Å
753	N	34.1	Very low	33.5	Very low	131 Å²	131	94.2 Å²	94.2	70%	0.701	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	2.2	178	-73	-5	0	0	0	114	S751	S751-N753 PolarHBondContact O-N 3.02Å
754	T	28.4	Very low	32.7	Very low	93 Å²	93	96.3 Å²	96.3	57%	0.571	54%	0.542	S	S	*	.			trans	-107.7	65.2	177.1	61.5	0	0	0	0	112.9	N727 S751 T752	N727-T754 WeakPolarHBondContact OD1-CG2 3.49Å; S751-T754 PolarHBondContact O-N 3.16Å; S751-T754 PolarHBondContact O-OG1 2.99Å; T752-T754 VanDerWaalsContact C-N 3.25Å; T752-T754 PolarHBondContact O-N 2.93Å
755	S	29.4	Very low	32.1	Very low	87 Å²	87	99.7 Å²	99.7	61%	0.608	55%	0.553	S	S	*	*			trans	-134.8	104	168.3	49.9	0	0	0	0	112.3
756	S	26.7	Very low	31.4	Very low	111 Å²	111	102.6 Å²	102.6	78%	0.776	58%	0.577	S	S	*	*			trans	10.5	106.6	154.9	56.9	0	0	0	0	118.5
757	N	29.6	Very low	30.5	Very low	114 Å²	114	109.1 Å²	109.1	61%	0.61	61%	0.606	S	S	*	*			trans	-151.7	70.1	149	-124.2	-18.6	0	0	0	112.3	Q759 I763	N757-Q759 PolarHBondContact O-N 3.16Å; N757-Q759 VanDerWaalsContact O-N 3.1Å; N757-I763 VanDerWaalsContact ND2-CD1 3.28Å; N757-I763 WeakPolarHBondContact ND2-CD1 3.35Å
758	E	27.9	Very low	29.5	Very low	165 Å²	165	114 Å²	114	77%	0.771	64%	0.638	S	S	*	*			trans	-80.9	57.1	170	-67.5	-168	126.1	0	0	111.8
759	Q	27.1	Very low	28.8	Very low	146 Å²	146	114.4 Å²	114.4	68%	0.682	65%	0.652	S	S	*	*	S	Bend	trans	-164.5	144.3	166.4	-114.3	142	85	0	0	112.7	N757	N757-Q759 PolarHBondContact O-N 3.16Å; N757-Q759 VanDerWaalsContact O-N 3.1Å
760	S	27	Very low	28	Very low	101 Å²	101	119.9 Å²	119.9	71%	0.706	68%	0.678	S	S	*	*			trans	31.9	119.9	158.5	58.2	0	0	0	0	120.6
761	G	23.3	Very low	27.4	Very low	68 Å²	68	122.4 Å²	122.4	70%	0.701	69%	0.687	S	S	*	*	S	Bend	trans	43.1	124.3	136.9	0	0	0	0	0	121.6
762	E	23.9	Very low	26.9	Very low	195 Å²	195	123.5 Å²	123.5	91%	0.911	69%	0.693	S	S	*	*			trans	57	60.2	149.8	-56.9	-174.2	164.5	0	0	117.3
763	I	25.2	Very low	26.2	Very low	98 Å²	98	125.2 Å²	125.2	50%	0.503	70%	0.699	S	S	.	*			trans	-108.3	104.6	175.6	-58.2	178.4	0	0	0	111.2	N757 L765	N757-I763 VanDerWaalsContact ND2-CD1 3.28Å; N757-I763 WeakPolarHBondContact ND2-CD1 3.35Å; I763-L765 HydrophobicContact CG2-CD1 4.33Å; I763-L765 PolarHBondContact O-N 3.3Å; I763-L765 VanDerWaalsContact O-N 3.16Å
764	N	25	Very low	25.9	Very low	152 Å²	152	124.7 Å²	124.7	81%	0.813	70%	0.701	S	S	*	*			trans	-70.1	98.4	174.9	-69.3	-76.3	0	0	0	111.1	C766	N764-C766 PolarHBondContact O-N 3.42Å; N764-C766 VanDerWaalsContact O-N 3.13Å
765	L	25.1	Very low	25.9	Very low	153 Å²	153	130.4 Å²	130.4	80%	0.801	71%	0.712	S	S	*	*			trans	-87.2	38	-179.5	-142.8	76.8	0	0	0	114.3	I763	I763-L765 HydrophobicContact CG2-CD1 4.33Å; I763-L765 PolarHBondContact O-N 3.3Å; I763-L765 VanDerWaalsContact O-N 3.16Å
766	C	23.9	Very low	25.7	Very low	125 Å²	125	127.4 Å²	127.4	85%	0.845	69%	0.693	S	S	*	*			trans	-105.1	50.8	176.4	-70.6	0	0	0	0	111.9	N764	N764-C766 PolarHBondContact O-N 3.42Å; N764-C766 VanDerWaalsContact O-N 3.13Å
767	Q	23.8	Very low	25.8	Very low	170 Å²	170	129.7 Å²	129.7	79%	0.794	69%	0.689	S	S	*	*	S	Bend	trans	-145.8	133.7	176.7	-105.6	161.9	29.4	0	0	113.2
768	T	23.5	Very low	25.8	Very low	139 Å²	139	127.9 Å²	127.9	85%	0.853	69%	0.69	S	S	*	*			trans	53.3	66.4	161.7	49.7	0	0	0	0	118.1
769	V	26.5	Very low	25.9	Very low	112 Å²	112	126 Å²	126	68%	0.679	69%	0.685	S	S	*	*			trans	-123.7	129.2	137.2	-179.5	0	0	0	0	106.8	F771	V769-F771 WeakPolarHBondContact O-CD2 3.5Å; V769-F771 PolarHBondContact O-N 3.18Å; V769-F771 VanDerWaalsContact O-N 3.08Å
770	E	25.2	Very low	25.8	Very low	198 Å²	198	123.6 Å²	123.6	93%	0.925	68%	0.684	S	S	*	*			trans	-74	99.9	-178.5	-67	-175.4	136.2	0	0	110.4
771	F	26	Very low	25.9	Very low	92 Å²	92	122.2 Å²	122.2	40%	0.404	69%	0.685	S	S	.	*			trans	-73.4	150.6	171.8	-79.4	-96.6	0	0	0	111.4	H749 V769 D773 A776	H749-F771 AromaticContact CE1-CE1 3.6Å; H749-F771 AromaticContact CE1-CZ 3.96Å; H749-F771 AromaticContact NE2-CE1 3.85Å; V769-F771 WeakPolarHBondContact O-CD2 3.5Å; V769-F771 PolarHBondContact O-N 3.18Å; V769-F771 VanDerWaalsContact O-N 3.08Å; F771-D773 PolarHBondContact O-N 2.65Å; F771-A776 HydrophobicContact CB-CB 3.65Å; F771-A776 HydrophobicContact CD1-CB 4.25Å; F771-A776 HydrophobicContact CD2-CB 4.16Å; F771-A776 HydrophobicContact CG-CB 3.79Å
772	P	24.9	Very low	26.1	Very low	68 Å²	68	126.1 Å²	126.1	44%	0.442	69%	0.69	S	S	.	*			trans	-52.4	121.4	157.6	-23.6	34.5	0	0	0	110	T774 W775	P772-T774 PolarHBondContact O-N 3Å; P772-W775 PolarHBondContact O-N 3.23Å
773	D	24.6	Very low	26.3	Very low	111 Å²	111	120.9 Å²	120.9	59%	0.594	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-2.3	-158	-147.6	8.4	0	0	0	114.7	F771 K777	F771-D773 PolarHBondContact O-N 2.65Å; D773-K777 VanDerWaalsContact OD1-CE 3.27Å; D773-K777 WeakPolarHBondContact OD1-CE 3.48Å; D773-K777 IonicContact OD1-NZ 3.36Å; D773-K777 PolarHBondContact OD1-NZ 2.77Å; D773-K777 IonicContact OD2-NZ 2.79Å; D773-K777 PolarHBondContact OD2-NZ 3.25Å
774	T	27.2	Very low	26.6	Very low	121 Å²	121	123.2 Å²	123.2	74%	0.742	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-21.2	179.6	52.7	0	0	0	0	114.4	P772	P772-T774 PolarHBondContact O-N 3Å
775	W	27.5	Very low	26.9	Very low	212 Å²	212	119.7 Å²	119.7	80%	0.803	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	-38.9	-177	-95	42.6	0	0	0	113.8	P772 K777	P772-W775 PolarHBondContact O-N 3.23Å; W775-K777 VanDerWaalsContact C-N 3.32Å; W775-K777 PolarHBondContact O-N 2.58Å
776	A	26.7	Very low	27.2	Very low	24 Å²	24	114.6 Å²	114.6	20%	0.198	66%	0.656	C	S	.	*	H	α-helix	trans	-66.8	-29.1	-172.3	0	0	0	0	0	114.4	F771 A778 C780	F771-A776 HydrophobicContact CB-CB 3.65Å; F771-A776 HydrophobicContact CD1-CB 4.25Å; F771-A776 HydrophobicContact CD2-CB 4.16Å; F771-A776 HydrophobicContact CG-CB 3.79Å; A776-A778 VanDerWaalsContact C-N 3.34Å; A776-A778 PolarHBondContact O-N 3.4Å; A776-C780 PolarHBondContact O-SG 3.39Å
777	K	27.7	Very low	27.7	Very low	160 Å²	160	112.4 Å²	112.4	70%	0.696	64%	0.642	S	S	*	*	H	α-helix	trans	-80.7	-6.3	-173.6	-76.4	164.6	176.4	156.9	0	115.1	D773 W775	D773-K777 VanDerWaalsContact OD1-CE 3.27Å; D773-K777 WeakPolarHBondContact OD1-CE 3.48Å; D773-K777 IonicContact OD1-NZ 3.36Å; D773-K777 PolarHBondContact OD1-NZ 2.77Å; D773-K777 IonicContact OD2-NZ 2.79Å; D773-K777 PolarHBondContact OD2-NZ 3.25Å; W775-K777 VanDerWaalsContact C-N 3.32Å; W775-K777 PolarHBondContact O-N 2.58Å
778	A	30.4	Very low	28	Very low	76 Å²	76	105.6 Å²	105.6	63%	0.628	62%	0.618	S	S	*	*	H	α-helix	trans	-109.4	-24	-172.8	0	0	0	0	0	115.6	A776	A776-A778 VanDerWaalsContact C-N 3.34Å; A776-A778 PolarHBondContact O-N 3.4Å
779	N	29.5	Very low	28.8	Very low	124 Å²	124	102.7 Å²	102.7	66%	0.663	60%	0.596	S	S	*	*	H	α-helix	trans	-133.1	-5.7	-170.3	-70.8	-75.5	0	0	0	115.8	G781	N779-G781 PolarHBondContact O-N 3.31Å
780	C	25.4	Very low	29.3	Very low	97 Å²	97	99.4 Å²	99.4	66%	0.655	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	22.6	-174.6	-59	0	0	0	0	115	A776	A776-C780 PolarHBondContact O-SG 3.39Å
781	G	27.9	Very low	30.1	Very low	71 Å²	71	94.1 Å²	94.1	73%	0.732	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-23.9	179.9	0	0	0	0	0	114.9	N779	N779-G781 PolarHBondContact O-N 3.31Å
782	N	27.6	Very low	30.9	Very low	151 Å²	151	95.1 Å²	95.1	81%	0.807	56%	0.558	S	S	*	*	S	Bend	trans	-106.9	135.4	-175.7	-70.2	-1	0	0	0	111
783	S	29.3	Very low	31.8	Very low	85 Å²	85	93.2 Å²	93.2	59%	0.594	54%	0.544	S	S	*	.			trans	-58.5	160.1	179.4	53.1	0	0	0	0	113.8	T785	S783-T785 PolarHBondContact O-N 2.85Å; S783-T785 PolarHBondContact O-OG1 3.49Å
784	L	30.4	Very low	32.7	Very low	146 Å²	146	89.7 Å²	89.7	76%	0.764	53%	0.529	S	S	*	.			trans	-69.5	55.5	167.6	-77.9	148.5	0	0	0	112.7	I789	L784-I789 HydrophobicContact CD2-CG1 4.29Å
785	T	32.1	Very low	33.6	Very low	79 Å²	79	89.4 Å²	89.4	49%	0.485	52%	0.517	S	S	.	.			trans	-75.4	153	157.9	42.5	0	0	0	0	109.2	S783 S787 G788	S783-T785 PolarHBondContact O-N 2.85Å; S783-T785 PolarHBondContact O-OG1 3.49Å; T785-S787 PolarHBondContact O-N 3.36Å; T785-G788 PolarHBondContact O-N 2.99Å
786	G	30.9	Very low	34.5	Very low	46 Å²	46	82.7 Å²	82.7	47%	0.474	50%	0.496	S	S	.	.	H	α-helix	trans	-54.2	-33.8	-167.2	0	0	0	0	0	115.3	G788 I789 L790	G786-G788 PolarHBondContact O-N 3.4Å; G786-I789 PolarHBondContact O-N 2.8Å; G786-L790 PolarHBondContact O-N 3.41Å; G786-L790 VanDerWaalsContact O-N 3.13Å
787	S	33.5	Very low	35.4	Very low	79 Å²	79	82.3 Å²	82.3	55%	0.552	49%	0.491	S	S	*	.	H	α-helix	trans	-59.5	-27.1	175.6	60.1	0	0	0	0	114	T785 N791	T785-S787 PolarHBondContact O-N 3.36Å; S787-N791 WeakPolarHBondContact O-CB 3.46Å; S787-N791 PolarHBondContact O-N 3.23Å
788	G	30.8	Very low	35.8	Very low	27 Å²	27	79.6 Å²	79.6	28%	0.278	48%	0.484	S	S	.	.	H	α-helix	trans	-67.5	-36.8	174.6	0	0	0	0	0	113	T785 G786 Q792	T785-G788 PolarHBondContact O-N 2.99Å; G786-G788 PolarHBondContact O-N 3.4Å; G788-Q792 WeakPolarHBondContact O-CG 3.46Å; G788-Q792 PolarHBondContact O-N 2.82Å
789	I	39.5	Very low	36.1	Very low	77 Å²	77	80.6 Å²	80.6	40%	0.395	48%	0.484	S	S	.	.	H	α-helix	trans	-74.5	-46.4	177.4	-63.6	173.1	0	0	0	109.7	L784 G786 N791 Q792 L793	L784-I789 HydrophobicContact CD2-CG1 4.29Å; G786-I789 PolarHBondContact O-N 2.8Å; I789-N791 VanDerWaalsContact C-N 3.27Å; I789-N791 PolarHBondContact O-N 3.44Å; I789-Q792 PolarHBondContact O-N 3.5Å; I789-L793 HydrophobicContact CG2-CD1 3.88Å; I789-L793 HydrophobicContact CG2-CG 4.22Å; I789-L793 WeakPolarHBondContact O-CG 3.32Å; I789-L793 PolarHBondContact O-N 3.08Å
790	L	38.3	Very low	36.6	Very low	44 Å²	44	76 Å²	76	23%	0.23	46%	0.459	C	S	.	.	H	α-helix	trans	-52.6	-43.4	172.2	-78	168.7	0	0	0	112.4	G786 Q792 L793 S794 V816 T819	G786-L790 PolarHBondContact O-N 3.41Å; G786-L790 VanDerWaalsContact O-N 3.13Å; L790-Q792 VanDerWaalsContact C-N 3.27Å; L790-Q792 PolarHBondContact O-N 2.98Å; L790-L793 PolarHBondContact O-N 2.96Å; L790-S794 WeakPolarHBondContact O-CB 3.48Å; L790-S794 PolarHBondContact O-N 3.4Å; L790-S794 PolarHBondContact O-OG 3.34Å; L790-V816 HydrophobicContact CD2-CB 4.48Å; L790-V816 HydrophobicContact CD2-CG1 3.87Å; L790-V816 WeakPolarHBondContact CD2-O 3.39Å; L790-T819 WeakPolarHBondContact CD1-OXT 3.31Å; L790-T819 VanDerWaalsContact CD2-OG1 3.3Å; L790-T819 WeakPolarHBondContact CD2-OG1 3.35Å
791	N	41.2	Very low	36.9	Very low	86 Å²	86	74.1 Å²	74.1	46%	0.46	45%	0.448	S	S	.	.	H	α-helix	trans	-81.3	-0.8	-179.3	-158	-9.9	0	0	0	113.7	S787 I789 K795	S787-N791 WeakPolarHBondContact O-CB 3.46Å; S787-N791 PolarHBondContact O-N 3.23Å; I789-N791 VanDerWaalsContact C-N 3.27Å; I789-N791 PolarHBondContact O-N 3.44Å; N791-K795 VanDerWaalsContact O-CD 3.26Å; N791-K795 WeakPolarHBondContact O-CD 3.33Å; N791-K795 WeakPolarHBondContact O-CE 3.37Å; N791-K795 WeakPolarHBondContact O-CG 3.47Å; N791-K795 PolarHBondContact O-NZ 3.19Å; N791-K795 VanDerWaalsContact OD1-CE 3.26Å; N791-K795 WeakPolarHBondContact OD1-CE 3.37Å; N791-K795 PolarHBondContact OD1-NZ 3.43Å
792	Q	43.3	Very low	37.3	Very low	113 Å²	113	82 Å²	82	53%	0.528	46%	0.455	S	S	.	.	H	α-helix	trans	-97.7	-45.3	163.1	-73	176.7	21	0	0	110.4	G788 I789 L790 S794 K795 L796	G788-Q792 WeakPolarHBondContact O-CG 3.46Å; G788-Q792 PolarHBondContact O-N 2.82Å; I789-Q792 PolarHBondContact O-N 3.5Å; L790-Q792 VanDerWaalsContact C-N 3.27Å; L790-Q792 PolarHBondContact O-N 2.98Å; Q792-S794 PolarHBondContact O-N 3.41Å; Q792-K795 CarbonylContact O-C 3.58Å; Q792-K795 PolarHBondContact O-N 2.94Å; Q792-L796 WeakPolarHBondContact O-CG 3.15Å; Q792-L796 PolarHBondContact O-N 3.26Å
793	L	44.1	Very low	37.6	Very low	28 Å²	28	83.7 Å²	83.7	15%	0.147	46%	0.456	C	S	.	.	H	α-helix	trans	-60.1	-42.6	176.4	-70.5	174.7	0	0	0	112.1	I789 L790 K795 L796 V797 I815 V816	I789-L793 HydrophobicContact CG2-CD1 3.88Å; I789-L793 HydrophobicContact CG2-CG 4.22Å; I789-L793 WeakPolarHBondContact O-CG 3.32Å; I789-L793 PolarHBondContact O-N 3.08Å; L790-L793 PolarHBondContact O-N 2.96Å; L793-K795 VanDerWaalsContact C-N 3.33Å; L793-K795 PolarHBondContact O-N 2.95Å; L793-L796 CarbonylContact O-C 3.53Å; L793-L796 WeakPolarHBondContact O-CA 3.36Å; L793-L796 PolarHBondContact O-N 2.9Å; L793-V797 WeakPolarHBondContact O-CG2 3.35Å; L793-V797 PolarHBondContact O-N 2.86Å; L793-I815 HydrophobicContact CD1-CG2 4.18Å; L793-V816 HydrophobicContact CB-CG2 3.62Å; L793-V816 HydrophobicContact CD1-CG2 3.88Å; L793-V816 HydrophobicContact CG-CG2 4.36Å
794	S	43.5	Very low	38.1	Very low	38 Å²	38	81.2 Å²	81.2	27%	0.266	44%	0.437	S	S	.	.	H	α-helix	trans	-60.5	-42.4	174.9	66.3	0	0	0	0	112	L790 Q792 L796 V797 L798	L790-S794 WeakPolarHBondContact O-CB 3.48Å; L790-S794 PolarHBondContact O-N 3.4Å; L790-S794 PolarHBondContact O-OG 3.34Å; Q792-S794 PolarHBondContact O-N 3.41Å; S794-L796 PolarHBondContact O-N 3.38Å; S794-V797 PolarHBondContact O-N 3.47Å; S794-L798 WeakPolarHBondContact O-CB 3.39Å; S794-L798 WeakPolarHBondContact O-CD1 3.49Å; S794-L798 WeakPolarHBondContact O-CG 3.49Å; S794-L798 PolarHBondContact O-N 3.39Å
795	K	46.7	Very low	38.8	Very low	114 Å²	114	78.3 Å²	78.3	50%	0.496	42%	0.422	S	S	.	.	H	α-helix	trans	-69.9	-13.7	174.8	-65.7	-179.9	-170	127.2	0	113.9	N791 Q792 L793 P799	N791-K795 VanDerWaalsContact O-CD 3.26Å; N791-K795 WeakPolarHBondContact O-CD 3.33Å; N791-K795 WeakPolarHBondContact O-CE 3.37Å; N791-K795 WeakPolarHBondContact O-CG 3.47Å; N791-K795 PolarHBondContact O-NZ 3.19Å; N791-K795 VanDerWaalsContact OD1-CE 3.26Å; N791-K795 WeakPolarHBondContact OD1-CE 3.37Å; N791-K795 PolarHBondContact OD1-NZ 3.43Å; Q792-K795 CarbonylContact O-C 3.58Å; Q792-K795 PolarHBondContact O-N 2.94Å; L793-K795 VanDerWaalsContact C-N 3.33Å; L793-K795 PolarHBondContact O-N 2.95Å; K795-P799 WeakPolarHBondContact O-CD 3.19Å; K795-P799 WeakPolarHBondContact O-CG 3.41Å
796	L	46.2	Very low	39	Very low	71 Å²	71	76.5 Å²	76.5	37%	0.372	42%	0.419	S	S	.	.	H	α-helix	trans	-96.4	-28.5	173	-71.9	164	0	0	0	112.5	L746 Q792 L793 S794 P799 L800	L746-L796 HydrophobicContact CD1-CD1 4.04Å; L746-L796 HydrophobicContact CD2-CD1 3.54Å; L746-L796 HydrophobicContact CD2-CD2 3.75Å; L746-L796 HydrophobicContact CD2-CG 4.27Å; L746-L796 HydrophobicContact CG-CD1 4.45Å; Q792-L796 WeakPolarHBondContact O-CG 3.15Å; Q792-L796 PolarHBondContact O-N 3.26Å; L793-L796 CarbonylContact O-C 3.53Å; L793-L796 WeakPolarHBondContact O-CA 3.36Å; L793-L796 PolarHBondContact O-N 2.9Å; S794-L796 PolarHBondContact O-N 3.38Å; L796-P799 WeakPolarHBondContact O-CD 3.4Å; L796-L800 WeakPolarHBondContact O-CG 3.41Å
797	V	45.2	Very low	39.3	Very low	16 Å²	16	80 Å²	80	10%	0.097	42%	0.419	C	S	.	.	H	α-helix	trans	-79.6	-37.4	175.5	170.1	0	0	0	0	111.7	L793 S794 L800 L812 L813	L793-V797 WeakPolarHBondContact O-CG2 3.35Å; L793-V797 PolarHBondContact O-N 2.86Å; S794-V797 PolarHBondContact O-N 3.47Å; V797-L800 HydrophobicContact CB-CD1 4.39Å; V797-L800 HydrophobicContact CG1-CD1 4.41Å; V797-L800 HydrophobicContact CG2-CD1 4.36Å; V797-L800 WeakPolarHBondContact O-CB 3.26Å; V797-L800 WeakPolarHBondContact O-CG 3.04Å; V797-L800 PolarHBondContact O-N 2.84Å; V797-L812 HydrophobicContact CG2-CB 3.81Å; V797-L812 HydrophobicContact CG2-CD1 4.44Å; V797-L813 HydrophobicContact CG1-CD2 4.12Å
798	L	36.7	Very low	39.6	Very low	104 Å²	104	76.6 Å²	76.6	55%	0.545	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-42	178.7	-76.2	164.3	0	0	0	113.9	F677 S794	F677-L798 HydrophobicContact CE1-CD2 4.49Å; F677-L798 HydrophobicContact CE2-CD2 4.39Å; F677-L798 HydrophobicContact CZ-CD2 3.73Å; S794-L798 WeakPolarHBondContact O-CB 3.39Å; S794-L798 WeakPolarHBondContact O-CD1 3.49Å; S794-L798 WeakPolarHBondContact O-CG 3.49Å; S794-L798 PolarHBondContact O-N 3.39Å
799	P	36.5	Very low	40.3	Very low	97 Å²	97	79.3 Å²	79.3	63%	0.63	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-4.2	178.8	-13.4	31.7	0	0	0	114.9	K795 L796 S801	K795-P799 WeakPolarHBondContact O-CD 3.19Å; K795-P799 WeakPolarHBondContact O-CG 3.41Å; L796-P799 WeakPolarHBondContact O-CD 3.4Å; P799-S801 PolarHBondContact O-N 3.3Å
800	L	39	Very low	40.6	Very low	26 Å²	26	81.1 Å²	81.1	14%	0.136	40%	0.403	C	S	.	.			trans	-58.3	114.9	174.7	-63.4	174.9	0	0	0	108.3	L796 V797 T804 L808 R809 L812	L796-L800 WeakPolarHBondContact O-CG 3.41Å; V797-L800 HydrophobicContact CB-CD1 4.39Å; V797-L800 HydrophobicContact CG1-CD1 4.41Å; V797-L800 HydrophobicContact CG2-CD1 4.36Å; V797-L800 WeakPolarHBondContact O-CB 3.26Å; V797-L800 WeakPolarHBondContact O-CG 3.04Å; V797-L800 PolarHBondContact O-N 2.84Å; L800-T804 HydrophobicContact CD2-CG2 4.07Å; L800-L808 HydrophobicContact CD2-CD2 4.29Å; L800-R809 HydrophobicContact CB-CG 4.17Å; L800-R809 HydrophobicContact CD1-CG 3.74Å; L800-R809 PolarHBondContact O-NE 3.11Å; L800-R809 PolarHBondContact O-NH2 2.99Å; L800-L812 HydrophobicContact CD1-CD1 3.77Å
801	S	32.9	Very low	40.8	Very low	59 Å²	59	79.8 Å²	79.8	41%	0.413	40%	0.396	S	S	.	.			trans	-54.2	158.1	-175.8	-179.3	0	0	0	0	111.7	P799 K803 T804	P799-S801 PolarHBondContact O-N 3.3Å; S801-K803 PolarHBondContact O-N 3.12Å; S801-K803 PolarHBondContact OG-N 2.89Å; S801-K803 VanDerWaalsContact OG-N 3.16Å; S801-T804 WeakPolarHBondContact CB-OG1 3.17Å; S801-T804 PolarHBondContact N-OG1 3.46Å; S801-T804 PolarHBondContact O-N 3.4Å
802	R	34.4	Very low	40.9	Very low	235 Å²	235	76.5 Å²	76.5	89%	0.887	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-11.7	164.1	-70.2	-175.5	177.7	177.8	-1.6	112.7
803	K	35	Very low	40.9	Very low	188 Å²	188	72.7 Å²	72.7	82%	0.817	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-10.7	172.1	-60.4	-169.2	175.7	-166.5	0	114.6	S801	S801-K803 PolarHBondContact O-N 3.12Å; S801-K803 PolarHBondContact OG-N 2.89Å; S801-K803 VanDerWaalsContact OG-N 3.16Å
804	T	40.4	Very low	40.7	Very low	33 Å²	33	76.6 Å²	76.6	20%	0.202	38%	0.377	C	S	.	.	S	Bend	trans	-82.2	128.8	176	-40.3	0	0	0	0	107.9	Y741 L800 S801 L808	Y741-T804 HydrophobicContact CD1-CG2 4.22Å; Y741-T804 HydrophobicContact CE1-CG2 4.27Å; L800-T804 HydrophobicContact CD2-CG2 4.07Å; S801-T804 WeakPolarHBondContact CB-OG1 3.17Å; S801-T804 PolarHBondContact N-OG1 3.46Å; S801-T804 PolarHBondContact O-N 3.4Å; T804-L808 HydrophobicContact CG2-CD2 3.83Å
805	D	43.6	Very low	40.5	Very low	85 Å²	85	75.8 Å²	75.8	46%	0.455	37%	0.37	S	S	.	.			trans	-45.1	134.8	-166.6	-171.7	-7.5	0	0	0	113.6	Y807 L808 R809	D805-Y807 PolarHBondContact O-N 3.49Å; D805-Y807 WeakPolarHBondContact OD1-CB 3.27Å; D805-Y807 PolarHBondContact OD1-N 2.87Å; D805-Y807 WeakPolarHBondContact OD2-CB 3.23Å; D805-L808 HydrophobicContact CB-CB 4.22Å; D805-L808 WeakPolarHBondContact O-CB 3.46Å; D805-L808 PolarHBondContact O-N 3.26Å; D805-R809 PolarHBondContact O-N 2.89Å
806	G	36.6	Very low	40.1	Very low	41 Å²	41	72 Å²	72	42%	0.423	36%	0.356	S	S	.	.	H	α-helix	trans	-57	-32.6	173.1	0	0	0	0	0	112	R809 Q810	G806-R809 PolarHBondContact O-N 2.72Å; G806-Q810 WeakPolarHBondContact O-CB 3.32Å; G806-Q810 VanDerWaalsContact O-CG 3.3Å; G806-Q810 WeakPolarHBondContact O-CG 3.43Å; G806-Q810 PolarHBondContact O-N 2.97Å
807	Y	37.4	Very low	39.6	Very low	118 Å²	118	74.7 Å²	74.7	46%	0.463	37%	0.367	S	S	.	.	H	α-helix	trans	-63.4	-42.6	172.3	-172.1	-121	0	0	0	112.2	D805 Q810 N811	D805-Y807 PolarHBondContact O-N 3.49Å; D805-Y807 WeakPolarHBondContact OD1-CB 3.27Å; D805-Y807 PolarHBondContact OD1-N 2.87Å; D805-Y807 WeakPolarHBondContact OD2-CB 3.23Å; Y807-Q810 PolarHBondContact O-N 2.98Å; Y807-N811 WeakPolarHBondContact CE1-ND2 3.47Å; Y807-N811 VanDerWaalsContact CE2-ND2 3.31Å; Y807-N811 WeakPolarHBondContact CE2-ND2 3.2Å; Y807-N811 WeakPolarHBondContact O-CB 3.26Å; Y807-N811 PolarHBondContact O-N 2.94Å; Y807-N811 PolarHBondContact O-ND2 3.49Å
808	L	41.1	Very low	39.1	Very low	9 Å²	9	76.2 Å²	76.2	5%	0.047	38%	0.378	C	S	.	.	H	α-helix	trans	-65.7	-42.5	177.4	-150.7	99.5	0	0	0	111.5	V737 Y741 L800 T804 D805 L812	V737-L808 HydrophobicContact CG1-CD1 4.09Å; Y741-L808 HydrophobicContact CD1-CD1 3.99Å; Y741-L808 HydrophobicContact CD1-CD2 3.64Å; Y741-L808 HydrophobicContact CD1-CG 4.47Å; Y741-L808 HydrophobicContact CD2-CD1 3.45Å; Y741-L808 VanDerWaalsContact CD2-CD1 3.45Å; Y741-L808 HydrophobicContact CD2-CD2 4.39Å; Y741-L808 HydrophobicContact CE1-CD1 4.1Å; Y741-L808 HydrophobicContact CE1-CD2 4.25Å; Y741-L808 HydrophobicContact CE2-CD1 3.57Å; Y741-L808 HydrophobicContact CG-CD1 3.67Å; Y741-L808 HydrophobicContact CG-CD2 3.72Å; Y741-L808 HydrophobicContact CG-CG 4.36Å; L800-L808 HydrophobicContact CD2-CD2 4.29Å; T804-L808 HydrophobicContact CG2-CD2 3.83Å; D805-L808 HydrophobicContact CB-CB 4.22Å; D805-L808 WeakPolarHBondContact O-CB 3.46Å; D805-L808 PolarHBondContact O-N 3.26Å; L808-L812 HydrophobicContact CD2-CD1 4.06Å; L808-L812 HydrophobicContact CG-CD1 4.33Å; L808-L812 WeakPolarHBondContact O-CB 3.13Å; L808-L812 WeakPolarHBondContact O-CG 3.38Å; L808-L812 PolarHBondContact O-N 3.47Å
809	R	43.9	Very low	38.8	Very low	83 Å²	83	74.2 Å²	74.2	31%	0.313	37%	0.37	S	S	.	.	H	α-helix	trans	-59.7	-51.6	172	-80.3	169.6	151	-86.6	-3.4	110.6	L800 D805 G806 N811 L812 L813	L800-R809 HydrophobicContact CB-CG 4.17Å; L800-R809 HydrophobicContact CD1-CG 3.74Å; L800-R809 PolarHBondContact O-NE 3.11Å; L800-R809 PolarHBondContact O-NH2 2.99Å; D805-R809 PolarHBondContact O-N 2.89Å; G806-R809 PolarHBondContact O-N 2.72Å; R809-N811 PolarHBondContact O-N 3.49Å; R809-L812 PolarHBondContact O-N 2.86Å; R809-L813 WeakPolarHBondContact O-CB 3.25Å; R809-L813 WeakPolarHBondContact O-CG 3.28Å; R809-L813 PolarHBondContact O-N 2.99Å
810	Q	45.7	Very low	38.9	Very low	116 Å²	116	73.1 Å²	73.1	54%	0.542	36%	0.357	S	S	.	.	H	α-helix	trans	-60	-41.7	178.8	-76.9	178.8	9.2	0	0	113	G806 Y807 L813 K814	G806-Q810 WeakPolarHBondContact O-CB 3.32Å; G806-Q810 VanDerWaalsContact O-CG 3.3Å; G806-Q810 WeakPolarHBondContact O-CG 3.43Å; G806-Q810 PolarHBondContact O-N 2.97Å; Y807-Q810 PolarHBondContact O-N 2.98Å; Q810-L813 PolarHBondContact O-N 3.4Å; Q810-K814 WeakPolarHBondContact O-CG 3.36Å; Q810-K814 PolarHBondContact O-N 2.8Å
811	N	42.7	Very low	38.9	Very low	16 Å²	16	75.5 Å²	75.5	9%	0.086	37%	0.368	C	S	.	.	H	α-helix	trans	-75.8	-34.6	-178.2	-69.8	-24.6	0	0	0	112.6	Y807 R809 L813 K814 I815	Y807-N811 WeakPolarHBondContact CE1-ND2 3.47Å; Y807-N811 VanDerWaalsContact CE2-ND2 3.31Å; Y807-N811 WeakPolarHBondContact CE2-ND2 3.2Å; Y807-N811 WeakPolarHBondContact O-CB 3.26Å; Y807-N811 PolarHBondContact O-N 2.94Å; Y807-N811 PolarHBondContact O-ND2 3.49Å; R809-N811 PolarHBondContact O-N 3.49Å; N811-L813 VanDerWaalsContact C-N 3.3Å; N811-K814 PolarHBondContact O-N 2.95Å; N811-K814 PolarHBondContact OD1-NZ 3.2Å; N811-I815 WeakPolarHBondContact O-CD1 3.48Å; N811-I815 VanDerWaalsContact O-CG1 3.29Å; N811-I815 WeakPolarHBondContact O-CG1 3.41Å; N811-I815 PolarHBondContact O-N 2.81Å; N811-I815 VanDerWaalsContact O-N 3.09Å
812	L	43.2	Very low	39.2	Very low	17 Å²	17	76.4 Å²	76.4	9%	0.089	37%	0.366	C	S	.	.	H	α-helix	trans	-67.1	-31.9	168.7	-72.5	166.4	0	0	0	112.2	V797 L800 L808 R809 I815 V816	V797-L812 HydrophobicContact CG2-CB 3.81Å; V797-L812 HydrophobicContact CG2-CD1 4.44Å; L800-L812 HydrophobicContact CD1-CD1 3.77Å; L808-L812 HydrophobicContact CD2-CD1 4.06Å; L808-L812 HydrophobicContact CG-CD1 4.33Å; L808-L812 WeakPolarHBondContact O-CB 3.13Å; L808-L812 WeakPolarHBondContact O-CG 3.38Å; L808-L812 PolarHBondContact O-N 3.47Å; R809-L812 PolarHBondContact O-N 2.86Å; L812-I815 HydrophobicContact CD2-CD1 4.28Å; L812-I815 PolarHBondContact O-N 3.14Å; L812-V816 WeakPolarHBondContact O-CG2 3.24Å; L812-V816 PolarHBondContact O-N 2.87Å
813	L	44.6	Very low	39.5	Very low	32 Å²	32	67.1 Å²	67.1	17%	0.168	34%	0.335	C	S	.	.	H	α-helix	trans	-68.7	-44.7	172.4	-72.9	173.7	0	0	0	112.3	W680 V797 R809 Q810 N811 I815 V816 E817	W680-L813 HydrophobicContact CH2-CD1 4.29Å; W680-L813 HydrophobicContact CH2-CD2 3.37Å; W680-L813 HydrophobicContact CH2-CG 4.39Å; W680-L813 HydrophobicContact CZ2-CD1 3.73Å; W680-L813 HydrophobicContact CZ2-CD2 3.72Å; W680-L813 HydrophobicContact CZ2-CG 4.31Å; W680-L813 HydrophobicContact CZ3-CD2 4.14Å; V797-L813 HydrophobicContact CG1-CD2 4.12Å; R809-L813 WeakPolarHBondContact O-CB 3.25Å; R809-L813 WeakPolarHBondContact O-CG 3.28Å; R809-L813 PolarHBondContact O-N 2.99Å; Q810-L813 PolarHBondContact O-N 3.4Å; N811-L813 VanDerWaalsContact C-N 3.3Å; L813-I815 PolarHBondContact O-N 3.19Å; L813-V816 CarbonylContact O-C 3.53Å; L813-V816 WeakPolarHBondContact O-CA 3.34Å; L813-V816 WeakPolarHBondContact O-CB 3.35Å; L813-V816 PolarHBondContact O-N 2.84Å; L813-E817 WeakPolarHBondContact O-CG 3.49Å; L813-E817 PolarHBondContact O-N 3.49Å
814	K	39.8	Very low	39.8	Very low	111 Å²	111	59.6 Å²	59.6	48%	0.483	31%	0.305	S	S	.	.	H	α-helix	trans	-55.7	-38.8	171.3	-71.1	170.6	-168.1	163.3	0	112.1	Q810 N811 E817 C818	Q810-K814 WeakPolarHBondContact O-CG 3.36Å; Q810-K814 PolarHBondContact O-N 2.8Å; N811-K814 PolarHBondContact O-N 2.95Å; N811-K814 PolarHBondContact OD1-NZ 3.2Å; K814-E817 PolarHBondContact O-N 2.78Å; K814-C818 WeakPolarHBondContact O-CB 3.03Å; K814-C818 PolarHBondContact O-N 3.16Å; K814-C818 PolarHBondContact O-SG 3.49Å
815	I	39.4	Very low	39.7	Very low	20 Å²	20	61.3 Å²	61.3	10%	0.103	31%	0.312	C	S	.	.	H	α-helix	trans	-64.5	-43.9	175.1	-67.4	161.9	0	0	0	110.6	L732 T735 L793 N811 L812 L813 C818	L732-I815 HydrophobicContact CD2-CD1 3.99Å; T735-I815 HydrophobicContact CG2-CD1 4Å; T735-I815 HydrophobicContact CG2-CG1 4.23Å; L793-I815 HydrophobicContact CD1-CG2 4.18Å; N811-I815 WeakPolarHBondContact O-CD1 3.48Å; N811-I815 VanDerWaalsContact O-CG1 3.29Å; N811-I815 WeakPolarHBondContact O-CG1 3.41Å; N811-I815 PolarHBondContact O-N 2.81Å; N811-I815 VanDerWaalsContact O-N 3.09Å; L812-I815 HydrophobicContact CD2-CD1 4.28Å; L812-I815 PolarHBondContact O-N 3.14Å; L813-I815 PolarHBondContact O-N 3.19Å; I815-C818 PolarHBondContact O-N 2.96Å; I815-C818 VanDerWaalsContact O-N 3.16Å
816	V	37.8	Very low	39.5	Very low	34 Å²	34	59.6 Å²	59.6	21%	0.206	30%	0.302	C	S	.	.	H	α-helix	trans	-66.9	-31.9	177.4	165.4	0	0	0	0	112.8	L790 L793 L812 L813 C818	L790-V816 HydrophobicContact CD2-CB 4.48Å; L790-V816 HydrophobicContact CD2-CG1 3.87Å; L790-V816 WeakPolarHBondContact CD2-O 3.39Å; L793-V816 HydrophobicContact CB-CG2 3.62Å; L793-V816 HydrophobicContact CD1-CG2 3.88Å; L793-V816 HydrophobicContact CG-CG2 4.36Å; L812-V816 WeakPolarHBondContact O-CG2 3.24Å; L812-V816 PolarHBondContact O-N 2.87Å; L813-V816 CarbonylContact O-C 3.53Å; L813-V816 WeakPolarHBondContact O-CA 3.34Å; L813-V816 WeakPolarHBondContact O-CB 3.35Å; L813-V816 PolarHBondContact O-N 2.84Å; V816-C818 VanDerWaalsContact C-N 3.28Å
817	E	36.7	Very low	39.7	Very low	128 Å²	128	61.1 Å²	61.1	60%	0.598	29%	0.292	S	S	*	.	H	α-helix	trans	-77	-12.2	173.4	-69.2	175.8	155.6	0	0	113.2	L813 K814	L813-E817 WeakPolarHBondContact O-CG 3.49Å; L813-E817 PolarHBondContact O-N 3.49Å; K814-E817 PolarHBondContact O-N 2.78Å
818	C	32.8	Very low	39.9	Very low	48 Å²	48	56.3 Å²	56.3	32%	0.324	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	10.3	-179	-69	0	0	0	0	114.4	L722 K814 I815 V816	L722-C818 HydrophobicContact CD1-CB 4.49Å; K814-C818 WeakPolarHBondContact O-CB 3.03Å; K814-C818 PolarHBondContact O-N 3.16Å; K814-C818 PolarHBondContact O-SG 3.49Å; I815-C818 PolarHBondContact O-N 2.96Å; I815-C818 VanDerWaalsContact O-N 3.16Å; V816-C818 VanDerWaalsContact C-N 3.28Å
819	T	30.7	Very low	39.8	Very low	62 Å²	62	60.6 Å²	60.6	38%	0.38	30%	0.299	S	S	.	.			trans	-128	0	180	58.4	0	0	0	0	112.6	Y703 L722 L790	Y703-T819 PolarHBondContact OH-O 3.33Å; L722-T819 HydrophobicContact CD1-CG2 4.07Å; L790-T819 WeakPolarHBondContact CD1-OXT 3.31Å; L790-T819 VanDerWaalsContact CD2-OG1 3.3Å; L790-T819 WeakPolarHBondContact CD2-OG1 3.35Å

Retrieved 819 of 819 residues in 127.5 ms (Link to these results)

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