A0A5K4FE89_SCHMA Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FE89, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,191 aa.

						>A0A5K4FE89_SCHMA|A0A5K4FE89
MEIGPNLCVWPIQSGINHELNSMQTLSPIVQQNNSFVYSRSNGVVLELESDSETELESTPHLDHHGPIESKHQENPCQSQWNNGLINLSTNDEEDYDQCIEKIDFDEYNLRNNLNVNILNDHGNTVDRKVELGKQISIDDKNHQNLQNFHDKTDDNDNNSNNNKDYTCGFCGFDFGTAEQVEEHVLLKHTDNLTTSNYSGTTPTNTSDSSSIALTTIITTSNSNCSSSTVTIAKNSKYSVDPASKFNGPRSQGKESRKSLNKDNEVLKEFAKKSSTVEMEDQQVIRSDNDFPALVTNNPMITDCPLCDRTFVGRRSLNIHLNKTHSIKENGSNINNSTNSNSIDNPGSVTNNTDAEQLKTNSVSKLTRLTFARSLRGLGGNKNCDINNNNNDNKTTNETTKSTSEKSLCKIVVRPPILPRPSRMTNSIIGSSTSPSKTNVDKKNLQSESSSSSSISQDISVSRNNESEELSPQKSRPTVYAVSPPLATEQSGLKLRIISLDPLKKSTNTYSTLNNNKNDHSGKSHLTNDIKSASATCPSPSSSPSPSSSSSSSSPAAKSALTTRITLKKLNTAEKYESAFTSLHSPSLYRKSPVNIDSKEDNCCISNISQSPVSSLQRAISYPLDPNEAHNFSEVDNMNLKYNFSTNNKTSLQLNLRSSNLSDLSTKKSEAMDTSLRTSDGLYKCRICKRLFANRYSLTGHYKSHYEPSQKPYCCDDCGQRYTSPSNLHYHRGRNCPVLKLKAIKEGKLIPSSVQNTKLLELKALRAVERKALMNRLKDQNDANNNDVKDNAGEVKQHQPSVNKKSRLSTCNSDNDCVSTLKIDRSIKRSKENMTSKSPNSPYDTISPRPSINNNIGNGVNDIGNMIQENENSSQIQDIVRLFLMHAYQSDELRQQLLSLTSNALLTALLPTNGFNSNMFMNPNSTSNQQLFNLLSNFISSNCSTGRTINNDQTHDDSNLLYMQQNSTIETPPMQPNCIGLSTEEPTDLTRASHNYIRRNDQPNSPGVQCSISRQDSRIFQDIQGLEEHIISAHSKYNRSLSEATTETVNLIKPLMRYHSLSERVPSNIDWNTKTTSSTPTTPNILLQQPYHHHQPQQEQEQPINYSEDLSINNFNSPDTTEQSSSSVITQRSLQHSNLVSCTDCDREFSSYTAFRVHHTKSHQSTTNRQHHQQHSHNNQRKSNSQRNLTK
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.3	Very low	30.6	Very low	235 Å²	235	152 Å²	152	100%	1.158	84%	0.838	S	S	*	*				0	116.9	0	-72.8	173.9	172.1	0	0	106.8	I3	M1-I3 PolarHBondContact O-N 3.42Å
2	E	26.6	Very low	30.2	Very low	204 Å²	204	149.6 Å²	149.6	95%	0.953	82%	0.82	S	S	*	*			trans	-87.1	109.4	-173.7	-65.6	173.2	133.1	0	0	110.2
3	I	35.8	Very low	30.2	Very low	162 Å²	162	150.5 Å²	150.5	83%	0.831	82%	0.816	S	S	*	*			trans	-96.1	112.1	172.7	-59.8	176.2	0	0	0	106.7	M1	M1-I3 PolarHBondContact O-N 3.42Å
4	G	33.7	Very low	30.1	Very low	69 Å²	69	147.8 Å²	147.8	71%	0.711	81%	0.813	S	S	*	*			trans	-63.8	136.2	-176.7	0	0	0	0	0	112.4
5	P	33.2	Very low	30	Very low	115 Å²	115	142.2 Å²	142.2	75%	0.747	80%	0.803	S	S	*	*			trans	-82.4	141.3	-170.7	32.2	-35.9	0	0	0	113.6
6	N	34	Very low	30	Very low	145 Å²	145	143.1 Å²	143.1	78%	0.775	80%	0.803	S	S	*	*			trans	158.2	74.4	147.2	-84	-27.8	0	0	0	107.6
7	L	32.2	Very low	29.9	Very low	155 Å²	155	142.6 Å²	142.6	81%	0.812	80%	0.798	S	S	*	*				76.8	101	91.5	-81.6	163	0	0	0	113.2
8	C	25.1	Very low	30	Very low	116 Å²	116	142.7 Å²	142.7	78%	0.784	79%	0.791	S	S	*	*			trans	-87.1	-156.9	158.4	-52.9	0	0	0	0	109.7
9	V	30	Very low	30	Very low	138 Å²	138	143.1 Å²	143.1	84%	0.836	79%	0.786	S	S	*	*			trans	94.9	136.9	163.4	-167	0	0	0	0	115.4
10	W	23.9	Very low	30	Very low	205 Å²	205	142.5 Å²	142.5	78%	0.777	78%	0.781	S	S	*	*			trans	-76.3	-168	175.3	-67.5	-8.4	0	0	0	111.7	I12	W10-I12 HydrophobicContact CE3-CB 4.44Å; W10-I12 HydrophobicContact CE3-CD1 3.79Å; W10-I12 HydrophobicContact CE3-CG1 3.8Å; W10-I12 HydrophobicContact CH2-CD1 4.43Å; W10-I12 HydrophobicContact CZ3-CD1 3.49Å; W10-I12 VanDerWaalsContact CZ3-CD1 3.49Å; W10-I12 HydrophobicContact CZ3-CG1 4.06Å
11	P	30.1	Very low	30	Very low	128 Å²	128	142.4 Å²	142.4	83%	0.831	78%	0.78	S	S	*	*				-134.9	132.3	103.4	35.4	-26.1	0	0	0	114.5
12	I	25	Very low	29.8	Very low	123 Å²	123	135.9 Å²	135.9	63%	0.631	76%	0.757	S	S	*	*			trans	-101.4	125.4	145.4	-66.2	-178.4	0	0	0	105.9	W10	W10-I12 HydrophobicContact CE3-CB 4.44Å; W10-I12 HydrophobicContact CE3-CD1 3.79Å; W10-I12 HydrophobicContact CE3-CG1 3.8Å; W10-I12 HydrophobicContact CH2-CD1 4.43Å; W10-I12 HydrophobicContact CZ3-CD1 3.49Å; W10-I12 VanDerWaalsContact CZ3-CD1 3.49Å; W10-I12 HydrophobicContact CZ3-CG1 4.06Å
13	Q	30.5	Very low	29.8	Very low	162 Å²	162	134.3 Å²	134.3	76%	0.757	75%	0.752	S	S	*	*			trans	-162.8	145.1	131.2	-154.4	63.4	-6.8	0	0	110.4
14	S	28.5	Very low	29.6	Very low	112 Å²	112	134.8 Å²	134.8	78%	0.783	75%	0.751	S	S	*	*			trans	-97.9	165.2	173.9	51.5	0	0	0	0	111.8
15	G	28.4	Very low	29.3	Very low	64 Å²	64	137.4 Å²	137.4	66%	0.66	75%	0.753	S	S	*	*			trans	147	138.1	154	0	0	0	0	0	115.8
16	I	30.4	Very low	29.2	Very low	157 Å²	157	140.3 Å²	140.3	81%	0.805	76%	0.761	S	S	*	*			trans	70.7	97.2	164.6	-50.4	162.9	0	0	0	112.1
17	N	27.9	Very low	28.9	Very low	134 Å²	134	138.2 Å²	138.2	72%	0.717	76%	0.758	S	S	*	*				63.9	145.7	62.1	-52.8	0.3	0	0	0	112.6
18	H	32.8	Very low	28.7	Very low	144 Å²	144	136.9 Å²	136.9	67%	0.667	76%	0.759	S	S	*	*			cis	-139	152.7	11.5	-111.8	-100.2	0	0	0	109.1
19	E	30.1	Very low	28.8	Very low	151 Å²	151	139.4 Å²	139.4	71%	0.706	76%	0.762	S	S	*	*			trans	70	155.7	140.8	-65.8	176.2	-173.2	0	0	121
20	L	30.5	Very low	28.6	Very low	130 Å²	130	138.6 Å²	138.6	68%	0.681	76%	0.758	S	S	*	*			cis	-148.5	179.3	-7.3	-124.7	165.7	0	0	0	112.3
21	N	28.5	Very low	29.1	Very low	142 Å²	142	137.6 Å²	137.6	76%	0.759	76%	0.762	S	S	*	*			trans	-65.1	174.8	170.9	-53.5	-52.7	0	0	0	111.3
22	S	28	Very low	29.1	Very low	97 Å²	97	139.3 Å²	139.3	68%	0.678	76%	0.758	S	S	*	*			cis	-163.8	141.9	25.3	60.3	0	0	0	0	116.3
23	M	26.8	Very low	29.3	Very low	171 Å²	171	139.7 Å²	139.7	84%	0.842	76%	0.762	S	S	*	*			trans	64	169.3	130.6	-68	-173	66.4	0	0	122.6
24	Q	32.8	Very low	29.2	Very low	173 Å²	173	137.6 Å²	137.6	81%	0.808	76%	0.756	S	S	*	*			trans	80	94.3	176.7	-58.4	178.6	-6.9	0	0	114.6
25	T	27.5	Very low	29	Very low	123 Å²	123	137.2 Å²	137.2	76%	0.755	75%	0.753	S	S	*	*				67.2	106.9	65.4	69.4	0	0	0	0	115
26	L	30.8	Very low	28.9	Very low	177 Å²	177	144.1 Å²	144.1	93%	0.927	77%	0.766	S	S	*	*			trans	-162.7	167.9	139.7	-106.9	166.5	0	0	0	110.2
27	S	27.8	Very low	28.6	Very low	100 Å²	100	142.1 Å²	142.1	70%	0.699	76%	0.76	S	S	*	*			trans	-87.9	158.9	-157.1	-54.4	0	0	0	0	115.6
28	P	26.5	Very low	28.3	Very low	128 Å²	128	142.5 Å²	142.5	83%	0.831	75%	0.753	S	S	*	*			trans	-76	148.3	169.2	32.9	-35.1	0	0	0	112
29	I	28	Very low	28	Very low	168 Å²	168	141 Å²	141	86%	0.862	76%	0.758	S	S	*	*			trans	-123.6	146.5	170.6	-67.5	180	0	0	0	108.9
30	V	26.7	Very low	27.8	Very low	121 Å²	121	145.4 Å²	145.4	73%	0.733	77%	0.768	S	S	*	*			trans	-98.6	130.6	-171.3	176.1	0	0	0	0	111.8
31	Q	33.4	Very low	27.8	Very low	185 Å²	185	145 Å²	145	86%	0.864	78%	0.776	S	S	*	*			trans	-165.1	114	154.7	-100.8	155	8.4	0	0	104.3
32	Q	29.8	Very low	27.8	Very low	163 Å²	163	146.3 Å²	146.3	76%	0.762	78%	0.783	S	S	*	*			cis	65.2	130.8	49	-111.3	-174.5	1.2	0	0	114.5
33	N	29.3	Very low	27.8	Very low	131 Å²	131	145 Å²	145	70%	0.701	78%	0.784	S	S	*	*			trans	89	120.6	164.9	-58.2	-5.5	0	0	0	120.2
34	N	28.8	Very low	27.9	Very low	119 Å²	119	143.6 Å²	143.6	64%	0.636	79%	0.785	S	S	*	*			trans	73.2	104.4	137.1	-58.6	1.2	0	0	0	120.6
35	S	24	Very low	27.6	Very low	104 Å²	104	140.8 Å²	140.8	73%	0.727	78%	0.78	S	S	*	*				18.1	115.4	127.6	57.6	0	0	0	0	117.8
36	F	26.2	Very low	27.7	Very low	209 Å²	209	142 Å²	142	92%	0.917	78%	0.781	S	S	*	*			trans	-131.5	153.2	154.3	-113.7	-85.4	0	0	0	112.7
37	V	23.9	Very low	27.4	Very low	114 Å²	114	140.8 Å²	140.8	69%	0.691	77%	0.771	S	S	*	*			trans	-123	129	-165.8	164.2	0	0	0	0	107.4
38	Y	22.5	Very low	27.6	Very low	143 Å²	143	142.6 Å²	142.6	56%	0.561	77%	0.772	S	S	*	*			trans	76	161.3	163.9	-94.2	-91.8	0	0	0	123.4	H122 G123	Y38-H122 WeakPolarHBondContact CE1-O 3.41Å; Y38-H122 PolarHBondContact OH-O 2.83Å; Y38-G123 WeakPolarHBondContact OH-CA 3.48Å; Y38-G123 PolarHBondContact OH-O 3.25Å
39	S	26.8	Very low	27.7	Very low	111 Å²	111	144.6 Å²	144.6	78%	0.776	77%	0.77	S	S	*	*			trans	77.6	128.5	161.2	-19.3	0	0	0	0	120
40	R	26.3	Very low	27.7	Very low	245 Å²	245	141.1 Å²	141.1	93%	0.925	76%	0.761	S	S	*	*			trans	-72.6	153	162.6	-68.8	164.7	159	152.7	-9.7	111.2
41	S	30.1	Very low	28	Very low	120 Å²	120	141.7 Å²	141.7	84%	0.839	76%	0.76	S	S	*	*			trans	-151.8	149.4	135.3	49.3	0	0	0	0	110.5
42	N	27.7	Very low	27.9	Very low	171 Å²	171	137.7 Å²	137.7	91%	0.914	75%	0.752	S	S	*	*			trans	-95.6	155.7	174.7	-67.5	-35.6	0	0	0	109.5
43	G	27.8	Very low	27.9	Very low	68 Å²	68	138 Å²	138	70%	0.701	75%	0.754	S	S	*	*			trans	-170.3	103.7	170.3	0	0	0	0	0	116
44	V	30.2	Very low	28	Very low	142 Å²	142	137.2 Å²	137.2	86%	0.861	75%	0.753	S	S	*	*			trans	-155	88.4	141	-179.5	0	0	0	0	104
45	V	25.8	Very low	28	Very low	115 Å²	115	139.3 Å²	139.3	70%	0.697	76%	0.759	S	S	*	*				80.7	127.1	80.2	168.4	0	0	0	0	113.1
46	L	28.5	Very low	28.2	Very low	147 Å²	147	140.6 Å²	140.6	77%	0.77	76%	0.757	S	S	*	*			trans	137.5	121.9	156.8	-78.7	179.8	0	0	0	109
47	E	26	Very low	28.2	Very low	153 Å²	153	138.4 Å²	138.4	72%	0.715	75%	0.75	S	S	*	*			cis	-168.5	176.5	-22.8	-135.6	166.3	-157.7	0	0	106.9
48	L	30.2	Very low	28.3	Very low	138 Å²	138	137.8 Å²	137.8	72%	0.723	75%	0.751	S	S	*	*			trans	71.2	102.6	179.9	-46.6	178.8	0	0	0	113.8
49	E	28.8	Very low	28.5	Very low	169 Å²	169	137.2 Å²	137.2	79%	0.79	76%	0.762	S	S	*	*				74	101.6	85.5	-73	172.9	174.2	0	0	111.4
50	S	29.4	Very low	28.7	Very low	96 Å²	96	137.3 Å²	137.3	67%	0.671	76%	0.76	S	S	*	*				106.7	150	74.2	88	0	0	0	0	108.4
51	D	31.5	Very low	28.9	Very low	133 Å²	133	133.9 Å²	133.9	71%	0.711	75%	0.754	S	S	*	*			cis	-143.1	170.8	5.3	-78.2	-72.4	0	0	0	110.2
52	S	31.7	Very low	28.7	Very low	101 Å²	101	134.2 Å²	134.2	71%	0.706	75%	0.746	S	S	*	*			trans	51.7	144.6	139.4	66.8	0	0	0	0	122
53	E	31.3	Very low	28.7	Very low	170 Å²	170	131.8 Å²	131.8	79%	0.794	73%	0.733	S	S	*	*			cis	-170	175	-16.3	-120.1	166.8	-167.2	0	0	107.5
54	T	31.2	Very low	28.8	Very low	113 Å²	113	135.1 Å²	135.1	69%	0.693	73%	0.73	S	S	*	*			trans	23	145.5	151.8	60.3	0	0	0	0	121.4
55	E	27.2	Very low	28.9	Very low	163 Å²	163	137 Å²	137	76%	0.762	73%	0.729	S	S	*	*			cis	166.3	159.9	-15.5	-122.9	-178.6	-179.9	0	0	105.6
56	L	28.2	Very low	28.9	Very low	132 Å²	132	134.9 Å²	134.9	69%	0.691	73%	0.731	S	S	*	*			trans	66.8	119.9	153	-63.6	164.8	0	0	0	122.4
57	E	26.5	Very low	28.9	Very low	162 Å²	162	133.8 Å²	133.8	76%	0.757	73%	0.732	S	S	*	*			trans	68.2	106.2	131.7	-63.9	-173.8	139.4	0	0	123.1
58	S	26.1	Very low	29	Very low	102 Å²	102	133.9 Å²	133.9	71%	0.713	74%	0.736	S	S	*	*			trans	66	130.2	131.2	83.3	0	0	0	0	118.4
59	T	26.9	Very low	28.7	Very low	130 Å²	130	134.4 Å²	134.4	80%	0.798	74%	0.735	S	S	*	*				-167.8	170.6	55.1	20.9	0	0	0	0	109.9
60	P	31.7	Very low	28.8	Very low	113 Å²	113	130.8 Å²	130.8	73%	0.734	73%	0.729	S	S	*	*			trans	-95.9	161.5	-164.1	37.5	-36.7	0	0	0	115
61	H	29.3	Very low	28.7	Very low	173 Å²	173	129.1 Å²	129.1	80%	0.801	71%	0.709	S	S	*	*			trans	-159.6	124.2	142.1	-119.9	-94.9	0	0	0	112
62	L	26	Very low	28.6	Very low	128 Å²	128	130.9 Å²	130.9	67%	0.67	71%	0.713	S	S	*	*			trans	17.7	132.2	134.2	-68.6	150.6	0	0	0	117.6
63	D	28.7	Very low	28.5	Very low	119 Å²	119	132.9 Å²	132.9	64%	0.636	71%	0.711	S	S	*	*				-171.4	155	56.1	-112.3	-35.4	0	0	0	118
64	H	30.3	Very low	28.6	Very low	138 Å²	138	133.2 Å²	133.2	64%	0.639	71%	0.712	S	S	*	*			trans	72.2	131.5	141.8	-80.3	39.4	0	0	0	125.4
65	H	30.6	Very low	29	Very low	181 Å²	181	133.2 Å²	133.2	84%	0.838	71%	0.708	S	S	*	*			trans	65.9	130.8	159.8	-48.6	-47.4	0	0	0	119.2
66	G	27	Very low	29.4	Very low	71 Å²	71	127.6 Å²	127.6	73%	0.732	69%	0.686	S	S	*	*			cis	-167.1	169.3	-2.6	0	0	0	0	0	112.2
67	P	28.7	Very low	30	Very low	124 Å²	124	122.4 Å²	122.4	81%	0.805	66%	0.66	S	S	*	*			trans	-100.9	-170.8	-159.4	39.7	-38.1	0	0	0	116.6
68	I	27	Very low	31.2	Very low	155 Å²	155	121.3 Å²	121.3	80%	0.795	66%	0.655	S	S	*	*			trans	95.6	82.2	176.7	-53.6	162.6	0	0	0	112.6
69	E	25	Very low	32.2	Very low	150 Å²	150	120.2 Å²	120.2	70%	0.701	65%	0.647	S	S	*	*				75.4	100.1	86.7	-75.8	-144.3	124.1	0	0	116.1	K71	E69-K71 VanDerWaalsContact CD-NZ 3.29Å; E69-K71 VanDerWaalsContact OE1-CE 3.25Å; E69-K71 WeakPolarHBondContact OE1-CE 3.5Å; E69-K71 IonicContact OE1-NZ 3.56Å; E69-K71 PolarHBondContact OE1-NZ 3.35Å; E69-K71 IonicContact OE2-NZ 2.8Å; E69-K71 PolarHBondContact OE2-NZ 2.87Å
70	S	30.9	Very low	33.1	Very low	93 Å²	93	119.3 Å²	119.3	65%	0.65	63%	0.634	S	S	*	*			trans	-150.8	124.9	153.8	64.7	0	0	0	0	109.1	H72	S70-H72 PolarHBondContact O-N 3.13Å
71	K	26.4	Very low	33.4	Very low	61 Å²	61	117.8 Å²	117.8	27%	0.265	61%	0.614	S	S	.	*			trans	-94.9	94.8	-159.1	-77.6	158.2	179.9	125	0	113.8	E69 L500 P502 L503	E69-K71 VanDerWaalsContact CD-NZ 3.29Å; E69-K71 VanDerWaalsContact OE1-CE 3.25Å; E69-K71 WeakPolarHBondContact OE1-CE 3.5Å; E69-K71 IonicContact OE1-NZ 3.56Å; E69-K71 PolarHBondContact OE1-NZ 3.35Å; E69-K71 IonicContact OE2-NZ 2.8Å; E69-K71 PolarHBondContact OE2-NZ 2.87Å; K71-L500 WeakPolarHBondContact O-CD2 3.48Å; K71-P502 HydrophobicContact CD-CB 3.62Å; K71-P502 HydrophobicContact CD-CG 4.43Å; K71-L503 HydrophobicContact CD-CD1 4.46Å
72	H	29.5	Very low	33.9	Very low	169 Å²	169	112.7 Å²	112.7	78%	0.782	59%	0.592	S	S	*	*			trans	-78	117.2	153.7	-80.9	-73.9	0	0	0	109	S70	S70-H72 PolarHBondContact O-N 3.13Å
73	Q	30.1	Very low	34.4	Very low	144 Å²	144	111.8 Å²	111.8	67%	0.673	59%	0.588	S	S	*	*			trans	-98.2	95.6	171.1	-167	164.6	3.6	0	0	108.4
74	E	33.6	Very low	34.7	Very low	176 Å²	176	107.9 Å²	107.9	82%	0.822	58%	0.576	S	S	*	*			trans	-63.9	144.6	171.5	-61.1	-174.9	141.4	0	0	109.3	P76	E74-P76 WeakPolarHBondContact O-CD 3.31Å
75	N	38.6	Very low	35.3	Very low	114 Å²	114	103.9 Å²	103.9	61%	0.61	56%	0.559	S	S	*	*			trans	-99	111.9	-173.5	-154.9	14.9	0	0	0	109	C77 K102	N75-C77 PolarHBondContact O-N 2.84Å; N75-K102 PolarHBondContact OD1-NZ 3.44Å
76	P	36.1	Very low	36.1	Very low	45 Å²	45	95.6 Å²	95.6	29%	0.292	52%	0.521	S	S	.	.			trans	-72.1	-0.2	-168.4	27.9	-35.7	0	0	0	114.9	E74 D95	E74-P76 WeakPolarHBondContact O-CD 3.31Å; P76-D95 HydrophobicContact CB-CB 4.41Å; P76-D95 WeakPolarHBondContact CB-OD2 3.47Å; P76-D95 HydrophobicContact CG-CB 4.5Å
77	C	40.4	Very low	37.1	Very low	22 Å²	22	93.8 Å²	93.8	15%	0.149	50%	0.495	C	S	.	.			trans	-108.2	107.4	-170.5	-36.4	0	0	0	0	110.5	N75 C99	N75-C77 PolarHBondContact O-N 2.84Å; C77-C99 HydrophobicContact CB-CB 3.83Å; C77-C99 WeakPolarHBondContact CB-SG 3.5Å; C77-C99 WeakPolarHBondContact SG-CA 3.23Å; C77-C99 WeakPolarHBondContact SG-CB 3.45Å; C77-C99 CovalentContact SG-SG 2.03Å; C77-C99 PolarHBondContact SG-SG 3.03Å
78	Q	51.6	Low	38.3	Very low	140 Å²	140	88.3 Å²	88.3	65%	0.654	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	114.5	161	-71.1	-164.8	29.1	0	0	109.4	S89	Q78-S89 PolarHBondContact N-O 2.89Å; Q78-S89 PolarHBondContact O-N 3.41Å; Q78-S89 VanDerWaalsContact O-N 3.15Å
79	S	48.3	Very low	39.5	Very low	78 Å²	78	82.6 Å²	82.6	55%	0.545	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	134.6	174	62.6	0	0	0	0	111.5	N87	S79-N87 WeakPolarHBondContact CA-O 3.36Å
80	Q	44.7	Very low	40.9	Very low	111 Å²	111	76.7 Å²	76.7	52%	0.519	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	124.3	170.8	-67.7	-169.5	7.6	0	0	111.5	N87	Q80-N87 HydrophobicContact CB-CB 4.37Å; Q80-N87 PolarHBondContact N-O 3.06Å; Q80-N87 PolarHBondContact O-N 2.94Å
81	W	39.2	Very low	41.8	Very low	81 Å²	81	78.4 Å²	78.4	31%	0.307	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	118.7	175.1	-93	83.7	0	0	0	111.4	I86 Y108 L110 L114	W81-I86 HydrophobicContact CD2-CG1 4.34Å; W81-I86 HydrophobicContact CZ2-CD1 3.91Å; W81-I86 HydrophobicContact CZ2-CG1 4.02Å; W81-Y108 AromaticContact CZ2-CD1 3.98Å; W81-Y108 HydrophobicContact CZ2-CD1 3.98Å; W81-Y108 HydrophobicContact CZ2-CG 4.28Å; W81-L110 HydrophobicContact CH2-CD1 3.58Å; W81-L110 HydrophobicContact CZ3-CD1 3.8Å; W81-L114 HydrophobicContact CH2-CD1 4.5Å; W81-L114 HydrophobicContact CH2-CD2 3.8Å; W81-L114 HydrophobicContact CZ2-CD2 4.48Å; W81-L114 HydrophobicContact CZ3-CD2 4.18Å
82	N	39.1	Very low	43.1	Very low	66 Å²	66	80.5 Å²	80.5	35%	0.353	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	114.7	176.2	-79.5	-64.4	0	0	0	111.7	G84 L85	N82-G84 PolarHBondContact O-N 2.65Å; N82-L85 PolarHBondContact N-O 3.14Å; N82-L85 WeakPolarHBondContact O-CB 3.42Å; N82-L85 PolarHBondContact O-N 3.43Å
83	N	36.4	Very low	44.1	Very low	109 Å²	109	78.8 Å²	78.8	58%	0.583	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	13	168	-71.9	-36.2	0	0	0	118.7	K745 Y1152	N83-K745 PolarHBondContact O-NZ 3.01Å; N83-Y1152 PolarHBondContact OD1-OH 3.11Å
84	G	36.2	Very low	45.3	Very low	37 Å²	37	80.6 Å²	80.6	38%	0.381	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	106	7	-172.6	0	0	0	0	0	114.2	N82	N82-G84 PolarHBondContact O-N 2.65Å
85	L	42.7	Very low	46.5	Very low	55 Å²	55	74.1 Å²	74.1	29%	0.288	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	139	167.5	-63.1	161.4	0	0	0	109.7	N82 N115	N82-L85 PolarHBondContact N-O 3.14Å; N82-L85 WeakPolarHBondContact O-CB 3.42Å; N82-L85 PolarHBondContact O-N 3.43Å; L85-N115 WeakPolarHBondContact CA-O 3.37Å; L85-N115 HydrophobicContact CD2-CB 3.57Å
86	I	47.5	Very low	46.9	Very low	6 Å²	6	70.2 Å²	70.2	3%	0.031	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	116.8	158.8	-61.4	172.2	0	0	0	106.3	W81 L88 L114 N115 N117	W81-I86 HydrophobicContact CD2-CG1 4.34Å; W81-I86 HydrophobicContact CZ2-CD1 3.91Å; W81-I86 HydrophobicContact CZ2-CG1 4.02Å; I86-L88 HydrophobicContact CG2-CD2 4.39Å; I86-L88 HydrophobicContact CG2-CG 4.27Å; I86-L114 HydrophobicContact CD1-CD2 4.11Å; I86-L114 HydrophobicContact CG1-CD2 4.12Å; I86-N115 PolarHBondContact N-O 3.15Å; I86-N117 PolarHBondContact O-N 2.78Å
87	N	48.3	Very low	47.7	Very low	34 Å²	34	73.1 Å²	73.1	18%	0.182	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	127.5	165.9	-66.8	-3.8	0	0	0	108	S79 Q80 N117 L119	S79-N87 WeakPolarHBondContact CA-O 3.36Å; Q80-N87 HydrophobicContact CB-CB 4.37Å; Q80-N87 PolarHBondContact N-O 3.06Å; Q80-N87 PolarHBondContact O-N 2.94Å; N87-N117 WeakPolarHBondContact CA-O 3.33Å; N87-L119 HydrophobicContact CB-CD1 4.18Å
88	L	52	Low	48.7	Very low	8 Å²	8	76 Å²	76	4%	0.042	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	136.6	166.9	-70.2	172.2	0	0	0	109.2	I86 I100 I103 V116 N117 L119	I86-L88 HydrophobicContact CG2-CD2 4.39Å; I86-L88 HydrophobicContact CG2-CG 4.27Å; L88-I100 HydrophobicContact CD1-CG1 4.32Å; L88-I103 HydrophobicContact CD1-CD1 4.25Å; L88-I103 HydrophobicContact CD2-CD1 4.47Å; L88-V116 HydrophobicContact CD1-CG1 4.03Å; L88-V116 HydrophobicContact CG-CG1 4.46Å; L88-N117 PolarHBondContact N-O 2.77Å; L88-L119 PolarHBondContact O-N 3.31Å
89	S	52.3	Low	48.8	Very low	35 Å²	35	69.5 Å²	69.5	25%	0.245	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122.9	169.8	-175.6	0	0	0	0	107.5	Q78	Q78-S89 PolarHBondContact N-O 2.89Å; Q78-S89 PolarHBondContact O-N 3.41Å; Q78-S89 VanDerWaalsContact O-N 3.15Å
90	T	54.4	Low	49.2	Very low	26 Å²	26	68.1 Å²	68.1	16%	0.16	35%	0.352	C	S	.	.			trans	-136.9	147	171.9	61	0	0	0	0	107.9	D92 C99	T90-D92 PolarHBondContact OG1-O 2.95Å; T90-C99 HydrophobicContact CG2-CB 4.21Å; T90-C99 WeakPolarHBondContact CG2-SG 3.19Å
91	N	50.4	Low	49.6	Very low	129 Å²	129	71.1 Å²	71.1	69%	0.69	37%	0.365	S	S	*	.	S	Bend	trans	-82	-25.8	-178.1	-62.7	14.9	0	0	0	111.9
92	D	54.4	Low	50.1	Low	105 Å²	105	71.6 Å²	71.6	56%	0.561	37%	0.37	S	S	*	.	S	Bend	trans	-122	150.8	-174.8	-63.9	-78.4	0	0	0	111.4	T90 E94	T90-D92 PolarHBondContact OG1-O 2.95Å; D92-E94 VanDerWaalsContact C-N 3.34Å
93	E	50.4	Low	50.6	Low	134 Å²	134	70.4 Å²	70.4	63%	0.626	36%	0.363	S	S	*	.	S	Bend	trans	-70.9	-26.8	174	-79.9	-158.5	92.4	0	0	112.9	Y96 R128	E93-Y96 VanDerWaalsContact O-CB 3.23Å; E93-Y96 WeakPolarHBondContact O-CB 3.31Å; E93-Y96 PolarHBondContact O-N 3.05Å; E93-R128 IonicContact OE1-CZ 2.67Å; E93-R128 IonicContact OE1-NH1 3Å; E93-R128 PolarHBondContact OE1-NH1 2.85Å; E93-R128 IonicContact OE1-NH2 2.65Å; E93-R128 PolarHBondContact OE1-NH2 2.82Å
94	E	54.2	Low	51.1	Low	182 Å²	182	69.7 Å²	69.7	85%	0.85	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-24.1	-178	-62	-168.1	168.1	0	0	113.1	D92 Y96	D92-E94 VanDerWaalsContact C-N 3.34Å; E94-Y96 VanDerWaalsContact C-N 3.3Å
95	D	59.7	Low	51.3	Low	40 Å²	40	72 Å²	72	21%	0.214	36%	0.359	C	S	.	.	H	α-helix	trans	-78.9	-13.1	174.9	-96.9	-17.6	0	0	0	113	P76 Q98 C99	P76-D95 HydrophobicContact CB-CB 4.41Å; P76-D95 WeakPolarHBondContact CB-OD2 3.47Å; P76-D95 HydrophobicContact CG-CB 4.5Å; D95-Q98 CarbonylContact O-C 3.53Å; D95-Q98 WeakPolarHBondContact O-CB 3.41Å; D95-Q98 PolarHBondContact O-N 2.88Å; D95-Q98 PolarHBondContact OD1-NE2 3.27Å; D95-C99 WeakPolarHBondContact O-CB 3.44Å; D95-C99 PolarHBondContact O-N 2.93Å; D95-C99 PolarHBondContact O-SG 3.47Å
96	Y	45.7	Very low	50.9	Low	31 Å²	31	76.4 Å²	76.4	12%	0.122	38%	0.382	C	S	.	.	H	α-helix	trans	-56.9	-52.8	-178.8	171.5	-102.3	0	0	0	112.9	E93 E94 Q98 C99 I100 I118 V130	E93-Y96 VanDerWaalsContact O-CB 3.23Å; E93-Y96 WeakPolarHBondContact O-CB 3.31Å; E93-Y96 PolarHBondContact O-N 3.05Å; E94-Y96 VanDerWaalsContact C-N 3.3Å; Y96-Q98 VanDerWaalsContact C-N 3.32Å; Y96-Q98 PolarHBondContact O-N 3.02Å; Y96-C99 PolarHBondContact O-N 2.75Å; Y96-C99 VanDerWaalsContact O-N 3.12Å; Y96-I100 HydrophobicContact CD1-CD1 4.29Å; Y96-I100 HydrophobicContact CD2-CD1 4.38Å; Y96-I100 HydrophobicContact CE1-CD1 3.65Å; Y96-I100 HydrophobicContact CE2-CD1 3.74Å; Y96-I100 PolarHBondContact O-N 3.44Å; Y96-I100 WeakPolarHBondContact OH-CD1 3.35Å; Y96-I118 HydrophobicContact CD2-CD1 4.23Å; Y96-I118 HydrophobicContact CE2-CD1 3.38Å; Y96-I118 HydrophobicContact CE2-CG1 3.83Å; Y96-V130 WeakPolarHBondContact OH-CG2 3.35Å
97	D	54.7	Low	50.5	Low	107 Å²	107	81.9 Å²	81.9	57%	0.572	41%	0.408	S	S	*	.	H	α-helix	trans	-65.5	-39	179.7	-71.6	-29.2	0	0	0	110.8	C99 I100 E101	D97-C99 PolarHBondContact O-N 3.23Å; D97-I100 PolarHBondContact O-N 3.09Å; D97-I100 VanDerWaalsContact O-N 3.11Å; D97-E101 PolarHBondContact O-N 3.37Å
98	Q	59.5	Low	49.8	Very low	83 Å²	83	84.2 Å²	84.2	39%	0.388	42%	0.415	S	S	.	.	H	α-helix	trans	-63.3	-27.9	174.5	-121.5	-165.6	103.9	0	0	113.2	D95 Y96 K102	D95-Q98 CarbonylContact O-C 3.53Å; D95-Q98 WeakPolarHBondContact O-CB 3.41Å; D95-Q98 PolarHBondContact O-N 2.88Å; D95-Q98 PolarHBondContact OD1-NE2 3.27Å; Y96-Q98 VanDerWaalsContact C-N 3.32Å; Y96-Q98 PolarHBondContact O-N 3.02Å; Q98-K102 WeakPolarHBondContact O-CD 3.49Å; Q98-K102 WeakPolarHBondContact O-CE 3.43Å; Q98-K102 WeakPolarHBondContact O-CG 3.4Å
99	C	54.7	Low	48.7	Very low	3 Å²	3	91 Å²	91	2%	0.02	45%	0.451	C	S	.	.	H	α-helix	trans	-81.6	-28.9	173.5	-72.2	0	0	0	0	112.8	C77 T90 D95 Y96 D97	C77-C99 HydrophobicContact CB-CB 3.83Å; C77-C99 WeakPolarHBondContact CB-SG 3.5Å; C77-C99 WeakPolarHBondContact SG-CA 3.23Å; C77-C99 WeakPolarHBondContact SG-CB 3.45Å; C77-C99 CovalentContact SG-SG 2.03Å; C77-C99 PolarHBondContact SG-SG 3.03Å; T90-C99 HydrophobicContact CG2-CB 4.21Å; T90-C99 WeakPolarHBondContact CG2-SG 3.19Å; D95-C99 WeakPolarHBondContact O-CB 3.44Å; D95-C99 PolarHBondContact O-N 2.93Å; D95-C99 PolarHBondContact O-SG 3.47Å; Y96-C99 PolarHBondContact O-N 2.75Å; Y96-C99 VanDerWaalsContact O-N 3.12Å; D97-C99 PolarHBondContact O-N 3.23Å
100	I	56.3	Low	47.8	Very low	49 Å²	49	94.1 Å²	94.1	25%	0.251	47%	0.465	S	S	.	.	H	α-helix	trans	-74.6	-42.3	173.6	-71.9	179	0	0	0	111.5	L88 Y96 D97 K102 I103	L88-I100 HydrophobicContact CD1-CG1 4.32Å; Y96-I100 HydrophobicContact CD1-CD1 4.29Å; Y96-I100 HydrophobicContact CD2-CD1 4.38Å; Y96-I100 HydrophobicContact CE1-CD1 3.65Å; Y96-I100 HydrophobicContact CE2-CD1 3.74Å; Y96-I100 PolarHBondContact O-N 3.44Å; Y96-I100 WeakPolarHBondContact OH-CD1 3.35Å; D97-I100 PolarHBondContact O-N 3.09Å; D97-I100 VanDerWaalsContact O-N 3.11Å; I100-K102 PolarHBondContact O-N 2.93Å; I100-K102 VanDerWaalsContact O-N 3.17Å; I100-I103 PolarHBondContact O-N 2.91Å; I100-I103 VanDerWaalsContact O-N 3.09Å
101	E	52.7	Low	46.5	Very low	173 Å²	173	100.5 Å²	100.5	81%	0.808	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.3	176	-73.2	-165.5	146.1	0	0	113.3	D97	D97-E101 PolarHBondContact O-N 3.37Å
102	K	50.8	Low	45.6	Very low	92 Å²	92	100.4 Å²	100.4	40%	0.4	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-3.3	177.2	-70.6	169.8	-167.2	166.6	0	114.5	N75 Q98 I100 D104	N75-K102 PolarHBondContact OD1-NZ 3.44Å; Q98-K102 WeakPolarHBondContact O-CD 3.49Å; Q98-K102 WeakPolarHBondContact O-CE 3.43Å; Q98-K102 WeakPolarHBondContact O-CG 3.4Å; I100-K102 PolarHBondContact O-N 2.93Å; I100-K102 VanDerWaalsContact O-N 3.17Å; K102-D104 PolarHBondContact O-N 3.44Å
103	I	49.6	Very low	44.6	Very low	40 Å²	40	102.8 Å²	102.8	21%	0.205	50%	0.498	C	S	.	.			trans	-87.3	105.7	176.3	-61.9	171.1	0	0	0	108.9	L88 I100 F105	L88-I103 HydrophobicContact CD1-CD1 4.25Å; L88-I103 HydrophobicContact CD2-CD1 4.47Å; I100-I103 PolarHBondContact O-N 2.91Å; I100-I103 VanDerWaalsContact O-N 3.09Å; I103-F105 HydrophobicContact CB-CD2 4.37Å; I103-F105 HydrophobicContact CB-CE2 3.82Å; I103-F105 HydrophobicContact CB-CZ 4.07Å; I103-F105 HydrophobicContact CG2-CD1 4.2Å; I103-F105 HydrophobicContact CG2-CD2 3.99Å; I103-F105 HydrophobicContact CG2-CE1 3.91Å; I103-F105 HydrophobicContact CG2-CE2 3.67Å; I103-F105 HydrophobicContact CG2-CG 4.25Å; I103-F105 HydrophobicContact CG2-CZ 3.63Å; I103-F105 WeakPolarHBondContact O-CD2 3.5Å; I103-F105 WeakPolarHBondContact O-CE2 3.42Å; I103-F105 PolarHBondContact O-N 3.23Å
104	D	45.9	Very low	43.8	Very low	94 Å²	94	99 Å²	99	50%	0.503	48%	0.482	S	S	.	.			trans	-71.4	111.1	167.8	-167.7	-39.5	0	0	0	109.4	K102 D106 E107 Y108	K102-D104 PolarHBondContact O-N 3.44Å; D104-D106 WeakPolarHBondContact OD1-CA 3.48Å; D104-D106 PolarHBondContact OD1-N 2.88Å; D104-E107 HydrophobicContact CB-CB 4.46Å; D104-E107 PolarHBondContact OD1-N 3.25Å; D104-Y108 WeakPolarHBondContact O-CD2 3.49Å
105	F	41.2	Very low	43.1	Very low	87 Å²	87	95.3 Å²	95.3	38%	0.382	47%	0.468	S	S	.	.	S	Bend	trans	-87.1	-14.1	178.7	-70.5	-86.8	0	0	0	113.5	I103	I103-F105 HydrophobicContact CB-CD2 4.37Å; I103-F105 HydrophobicContact CB-CE2 3.82Å; I103-F105 HydrophobicContact CB-CZ 4.07Å; I103-F105 HydrophobicContact CG2-CD1 4.2Å; I103-F105 HydrophobicContact CG2-CD2 3.99Å; I103-F105 HydrophobicContact CG2-CE1 3.91Å; I103-F105 HydrophobicContact CG2-CE2 3.67Å; I103-F105 HydrophobicContact CG2-CG 4.25Å; I103-F105 HydrophobicContact CG2-CZ 3.63Å; I103-F105 WeakPolarHBondContact O-CD2 3.5Å; I103-F105 WeakPolarHBondContact O-CE2 3.42Å; I103-F105 PolarHBondContact O-N 3.23Å
106	D	34.6	Very low	42.1	Very low	146 Å²	146	95.1 Å²	95.1	78%	0.781	47%	0.468	S	S	*	.	S	Bend	trans	-88	-25.6	-177.4	-74.3	-28.9	0	0	0	111.8	D104 Y108	D104-D106 WeakPolarHBondContact OD1-CA 3.48Å; D104-D106 PolarHBondContact OD1-N 2.88Å; D106-Y108 VanDerWaalsContact C-N 3.35Å
107	E	39.2	Very low	42	Very low	121 Å²	121	96.2 Å²	96.2	57%	0.565	48%	0.476	S	S	*	.	S	Bend	trans	-64.2	-36.6	171.1	-172	173	-106.9	0	0	112.3	D104 N109	D104-E107 HydrophobicContact CB-CB 4.46Å; D104-E107 PolarHBondContact OD1-N 3.25Å; E107-N109 PolarHBondContact O-N 3.18Å
108	Y	33.4	Very low	41.1	Very low	83 Å²	83	92.2 Å²	92.2	33%	0.325	45%	0.454	S	S	.	.	S	Bend	trans	-96.7	87.2	-174.2	-65.1	-92.6	0	0	0	111.9	W81 D104 D106 L110	W81-Y108 AromaticContact CZ2-CD1 3.98Å; W81-Y108 HydrophobicContact CZ2-CD1 3.98Å; W81-Y108 HydrophobicContact CZ2-CG 4.28Å; D104-Y108 WeakPolarHBondContact O-CD2 3.49Å; D106-Y108 VanDerWaalsContact C-N 3.35Å; Y108-L110 VanDerWaalsContact C-N 3.27Å; Y108-L110 PolarHBondContact O-N 2.86Å
109	N	29	Very low	40.4	Very low	150 Å²	150	90.4 Å²	90.4	80%	0.802	45%	0.447	S	S	*	.			trans	-63	73	-178.7	-100.2	-101	0	0	0	114.5	E107	E107-N109 PolarHBondContact O-N 3.18Å
110	L	33.1	Very low	40	Very low	101 Å²	101	93 Å²	93	53%	0.529	46%	0.461	S	S	.	.			trans	-124.8	85.9	179.4	-80	165	0	0	0	110.9	W81 Y108 N112	W81-L110 HydrophobicContact CH2-CD1 3.58Å; W81-L110 HydrophobicContact CZ3-CD1 3.8Å; Y108-L110 VanDerWaalsContact C-N 3.27Å; Y108-L110 PolarHBondContact O-N 2.86Å; L110-N112 PolarHBondContact O-N 3.22Å
111	R	26.5	Very low	39.2	Very low	160 Å²	160	96.3 Å²	96.3	60%	0.604	48%	0.479	S	S	*	.			trans	-57.1	134.7	156.2	-82.5	171	154.7	-178.5	-13.1	108.4
112	N	32.9	Very low	38.8	Very low	128 Å²	128	94.3 Å²	94.3	68%	0.684	47%	0.469	S	S	*	.	S	Bend	trans	86.4	108.6	179.4	-41.8	-67.1	0	0	0	116.3	L110	L110-N112 PolarHBondContact O-N 3.22Å
113	N	33.2	Very low	38.2	Very low	154 Å²	154	90.8 Å²	90.8	82%	0.824	46%	0.46	S	S	*	.			trans	42.2	82	150.1	-56.1	10.1	0	0	0	117.4
114	L	32.9	Very low	37.9	Very low	55 Å²	55	93 Å²	93	29%	0.288	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-76.9	125.1	157.9	-89.9	159.4	0	0	0	110	W81 I86	W81-L114 HydrophobicContact CH2-CD1 4.5Å; W81-L114 HydrophobicContact CH2-CD2 3.8Å; W81-L114 HydrophobicContact CZ2-CD2 4.48Å; W81-L114 HydrophobicContact CZ3-CD2 4.18Å; I86-L114 HydrophobicContact CD1-CD2 4.11Å; I86-L114 HydrophobicContact CG1-CD2 4.12Å
115	N	40	Very low	37.4	Very low	104 Å²	104	92.5 Å²	92.5	56%	0.556	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	130.9	162.7	-84	11.4	0	0	0	108.3	L85 I86	L85-N115 WeakPolarHBondContact CA-O 3.37Å; L85-N115 HydrophobicContact CD2-CB 3.57Å; I86-N115 PolarHBondContact N-O 3.15Å
116	V	38.1	Very low	37.5	Very low	37 Å²	37	91.2 Å²	91.2	22%	0.224	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.9	169.9	-178.7	0	0	0	0	107.5	L88	L88-V116 HydrophobicContact CD1-CG1 4.03Å; L88-V116 HydrophobicContact CG-CG1 4.46Å
117	N	43.2	Very low	37.5	Very low	53 Å²	53	91.8 Å²	91.8	28%	0.283	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	119.1	174.7	-83.8	27.4	0	0	0	109	I86 N87 L88	I86-N117 PolarHBondContact O-N 2.78Å; N87-N117 WeakPolarHBondContact CA-O 3.33Å; L88-N117 PolarHBondContact N-O 2.77Å
118	I	35.7	Very low	37.3	Very low	23 Å²	23	92.1 Å²	92.1	12%	0.118	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	122.2	171.2	-52.9	168.9	0	0	0	107.4	Y96 T125 V126 R128	Y96-I118 HydrophobicContact CD2-CD1 4.23Å; Y96-I118 HydrophobicContact CE2-CD1 3.38Å; Y96-I118 HydrophobicContact CE2-CG1 3.83Å; I118-T125 WeakPolarHBondContact O-CA 3.5Å; I118-V126 HydrophobicContact CB-CB 4.06Å; I118-V126 HydrophobicContact CG2-CB 3.97Å; I118-V126 HydrophobicContact CG2-CG2 4.06Å; I118-V126 PolarHBondContact O-N 3.41Å; I118-V126 VanDerWaalsContact O-N 3.15Å; I118-R128 HydrophobicContact CD1-CB 4.04Å
119	L	44.5	Very low	37.5	Very low	45 Å²	45	96.3 Å²	96.3	24%	0.236	49%	0.49	C	S	.	.	B	Isolated β-bridge	trans	-117.6	124.8	173.8	-61	176.6	0	0	0	108.1	N87 L88 T125	N87-L119 HydrophobicContact CB-CD1 4.18Å; L88-L119 PolarHBondContact O-N 3.31Å; L119-T125 HydrophobicContact CD2-CG2 4.04Å
120	N	47.4	Very low	37.6	Very low	59 Å²	59	92.5 Å²	92.5	32%	0.316	47%	0.472	S	S	.	.			trans	-76.9	176.3	165.8	65.3	11.2	0	0	0	110.7	H122 G123 N124	N120-H122 PolarHBondContact O-N 3.46Å; N120-H122 VanDerWaalsContact O-N 3.08Å; N120-H122 WeakPolarHBondContact OD1-CA 3.41Å; N120-H122 WeakPolarHBondContact OD1-CB 3.4Å; N120-H122 PolarHBondContact OD1-N 3.48Å; N120-G123 VanDerWaalsContact O-CA 3.29Å; N120-G123 WeakPolarHBondContact O-CA 3.49Å; N120-G123 PolarHBondContact O-N 3.01Å; N120-G123 PolarHBondContact OD1-N 3.05Å; N120-N124 PolarHBondContact N-O 2.98Å; N120-N124 PolarHBondContact OD1-N 2.83Å
121	D	38.4	Very low	37.3	Very low	117 Å²	117	94.6 Å²	94.6	63%	0.626	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-17.7	179	-70.8	-25.8	0	0	0	114	G123	D121-G123 VanDerWaalsContact C-N 3.26Å
122	H	45.4	Very low	37.4	Very low	131 Å²	131	92.9 Å²	92.9	61%	0.606	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	5.3	171.6	-49.6	-37	0	0	0	112.6	Y38 N120 N124	Y38-H122 WeakPolarHBondContact CE1-O 3.41Å; Y38-H122 PolarHBondContact OH-O 2.83Å; N120-H122 PolarHBondContact O-N 3.46Å; N120-H122 VanDerWaalsContact O-N 3.08Å; N120-H122 WeakPolarHBondContact OD1-CA 3.41Å; N120-H122 WeakPolarHBondContact OD1-CB 3.4Å; N120-H122 PolarHBondContact OD1-N 3.48Å; H122-N124 PolarHBondContact O-N 3.16Å; H122-N124 VanDerWaalsContact O-N 3.11Å
123	G	38.4	Very low	37	Very low	19 Å²	19	90 Å²	90	20%	0.196	48%	0.482	C	S	.	.			trans	58.5	17	-178.4	0	0	0	0	0	114.9	Y38 N120 D121	Y38-G123 WeakPolarHBondContact OH-CA 3.48Å; Y38-G123 PolarHBondContact OH-O 3.25Å; N120-G123 VanDerWaalsContact O-CA 3.29Å; N120-G123 WeakPolarHBondContact O-CA 3.49Å; N120-G123 PolarHBondContact O-N 3.01Å; N120-G123 PolarHBondContact OD1-N 3.05Å; D121-G123 VanDerWaalsContact C-N 3.26Å
124	N	42	Very low	36.7	Very low	85 Å²	85	91.2 Å²	91.2	46%	0.455	48%	0.48	S	S	.	.			trans	-77.6	135.7	175.6	-69	-41.7	0	0	0	109.1	N120 H122 V126	N120-N124 PolarHBondContact N-O 2.98Å; N120-N124 PolarHBondContact OD1-N 2.83Å; H122-N124 PolarHBondContact O-N 3.16Å; H122-N124 VanDerWaalsContact O-N 3.11Å; N124-V126 PolarHBondContact O-N 3.04Å
125	T	37.3	Very low	36.3	Very low	85 Å²	85	97.3 Å²	97.3	52%	0.521	51%	0.507	S	S	.	.	B	Isolated β-bridge	trans	-70.3	118.6	176.3	45.2	0	0	0	0	110.1	I118 L119 D127	I118-T125 WeakPolarHBondContact O-CA 3.5Å; L119-T125 HydrophobicContact CD2-CG2 4.04Å; T125-D127 PolarHBondContact O-N 2.95Å
126	V	42.8	Very low	35.5	Very low	59 Å²	59	99.3 Å²	99.3	36%	0.358	52%	0.516	S	S	.	.			trans	-81.6	110.7	169.4	-177	0	0	0	0	107.9	I118 N124 R128	I118-V126 HydrophobicContact CB-CB 4.06Å; I118-V126 HydrophobicContact CG2-CB 3.97Å; I118-V126 HydrophobicContact CG2-CG2 4.06Å; I118-V126 PolarHBondContact O-N 3.41Å; I118-V126 VanDerWaalsContact O-N 3.15Å; N124-V126 PolarHBondContact O-N 3.04Å; V126-R128 HydrophobicContact CG1-CG 4.4Å; V126-R128 PolarHBondContact O-N 3.45Å
127	D	34.8	Very low	34.8	Very low	158 Å²	158	102.5 Å²	102.5	85%	0.845	54%	0.54	S	S	*	.			trans	-71.2	73.3	-179.9	-86.9	-38.5	0	0	0	112.2	T125	T125-D127 PolarHBondContact O-N 2.95Å
128	R	35.3	Very low	34	Very low	128 Å²	128	106 Å²	106	48%	0.483	56%	0.558	S	S	.	*			trans	-114.2	99.3	162.7	-73.9	-171.4	-177.5	151.4	9.7	109.8	E93 I118 V126 V130	E93-R128 IonicContact OE1-CZ 2.67Å; E93-R128 IonicContact OE1-NH1 3Å; E93-R128 PolarHBondContact OE1-NH1 2.85Å; E93-R128 IonicContact OE1-NH2 2.65Å; E93-R128 PolarHBondContact OE1-NH2 2.82Å; I118-R128 HydrophobicContact CD1-CB 4.04Å; V126-R128 HydrophobicContact CG1-CG 4.4Å; V126-R128 PolarHBondContact O-N 3.45Å; R128-V130 PolarHBondContact O-N 3.2Å
129	K	36	Very low	33.5	Very low	171 Å²	171	109.4 Å²	109.4	74%	0.743	58%	0.576	S	S	*	*			trans	-73.8	104.5	178.3	-175.4	-166.4	177.2	-148.5	0	110.2	E131	K129-E131 IonicContact NZ-OE1 3.22Å; K129-E131 PolarHBondContact NZ-OE1 2.92Å; K129-E131 PolarHBondContact O-N 3.32Å; K129-E131 VanDerWaalsContact O-N 3.12Å
130	V	31.4	Very low	32.7	Very low	70 Å²	70	113.4 Å²	113.4	42%	0.424	60%	0.597	S	S	.	*			trans	-73	101.6	179.1	-177.8	0	0	0	0	110.7	Y96 R128 L132	Y96-V130 WeakPolarHBondContact OH-CG2 3.35Å; R128-V130 PolarHBondContact O-N 3.2Å; V130-L132 HydrophobicContact CG1-CG 4.14Å; V130-L132 PolarHBondContact O-N 3.49Å
131	E	26.7	Very low	31.8	Very low	146 Å²	146	117 Å²	117	68%	0.682	61%	0.61	S	S	*	*			trans	-83.3	90.8	173.4	-62.7	-161.2	152.2	0	0	110.9	K129 G133	K129-E131 IonicContact NZ-OE1 3.22Å; K129-E131 PolarHBondContact NZ-OE1 2.92Å; K129-E131 PolarHBondContact O-N 3.32Å; K129-E131 VanDerWaalsContact O-N 3.12Å; E131-G133 PolarHBondContact O-N 3.45Å
132	L	29.6	Very low	31.4	Very low	124 Å²	124	116.8 Å²	116.8	65%	0.649	61%	0.609	S	S	*	*			trans	-73	61.1	175.4	-94.6	166.3	0	0	0	112.6	V130 K134	V130-L132 HydrophobicContact CG1-CG 4.14Å; V130-L132 PolarHBondContact O-N 3.49Å; L132-K134 VanDerWaalsContact C-N 3.28Å; L132-K134 PolarHBondContact O-N 3.34Å
133	G	23.9	Very low	30.5	Very low	66 Å²	66	117.2 Å²	117.2	68%	0.68	61%	0.611	S	S	*	*			trans	-71.9	69.1	177	0	0	0	0	0	113.6	E131 Q135	E131-G133 PolarHBondContact O-N 3.45Å; G133-Q135 VanDerWaalsContact C-N 3.31Å; G133-Q135 PolarHBondContact O-N 3Å
134	K	27.5	Very low	30.1	Very low	181 Å²	181	122.7 Å²	122.7	79%	0.787	63%	0.631	S	S	*	*			trans	-70.3	91.1	165.3	-86.1	-176.4	176.4	172.9	0	109.4	L132 I136	L132-K134 VanDerWaalsContact C-N 3.28Å; L132-K134 PolarHBondContact O-N 3.34Å; K134-I136 VanDerWaalsContact C-N 3.32Å; K134-I136 PolarHBondContact O-N 3.26Å
135	Q	24.6	Very low	29.3	Very low	183 Å²	183	124 Å²	124	86%	0.855	64%	0.639	S	S	*	*			trans	-60.7	81	179.1	-162.8	82.1	-3.8	0	0	111.8	G133 S137	G133-Q135 VanDerWaalsContact C-N 3.31Å; G133-Q135 PolarHBondContact O-N 3Å; Q135-S137 PolarHBondContact O-N 3.42Å; Q135-S137 VanDerWaalsContact O-N 3.07Å
136	I	23.3	Very low	28.8	Very low	145 Å²	145	127 Å²	127	74%	0.744	65%	0.65	S	S	*	*			trans	-73.7	100.9	170.1	-61.3	179.4	0	0	0	107.6	K134 I138	K134-I136 VanDerWaalsContact C-N 3.32Å; K134-I136 PolarHBondContact O-N 3.26Å; I136-I138 PolarHBondContact O-N 2.92Å
137	S	23.4	Very low	28	Very low	104 Å²	104	131.2 Å²	131.2	73%	0.727	67%	0.666	S	S	*	*			trans	-56.6	118.1	167.7	-175.5	0	0	0	0	109.5	Q135	Q135-S137 PolarHBondContact O-N 3.42Å; Q135-S137 VanDerWaalsContact O-N 3.07Å
138	I	25.6	Very low	27.7	Very low	128 Å²	128	129.5 Å²	129.5	66%	0.656	66%	0.657	S	S	*	*			trans	-95.6	114.9	168.2	-61.2	176.1	0	0	0	105.5	I136 D140	I136-I138 PolarHBondContact O-N 2.92Å; I138-D140 PolarHBondContact O-N 3.29Å
139	D	24.8	Very low	27.2	Very low	94 Å²	94	132.8 Å²	132.8	50%	0.503	68%	0.675	S	S	.	*			trans	-45.3	129.4	179	-83.9	-92	0	0	0	112.3	K141 N142	D139-K141 HydrophobicContact CB-CB 4.34Å; D139-K141 HydrophobicContact CB-CD 4.31Å; D139-K141 HydrophobicContact CB-CG 4.42Å; D139-K141 PolarHBondContact O-N 3.48Å; D139-K141 IonicContact OD1-NZ 2.62Å; D139-K141 PolarHBondContact OD1-NZ 3.41Å; D139-N142 PolarHBondContact O-N 3.43Å; D139-N142 VanDerWaalsContact O-N 3.14Å
140	D	28	Very low	26.7	Very low	129 Å²	129	133.1 Å²	133.1	69%	0.69	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-55.4	-14.5	177.9	-63.6	-71	0	0	0	114.5	I138 N142 H143 Q144	I138-D140 PolarHBondContact O-N 3.29Å; D140-N142 PolarHBondContact O-N 3.09Å; D140-H143 PolarHBondContact O-N 2.95Å; D140-Q144 PolarHBondContact O-N 2.83Å
141	K	29.7	Very low	26.4	Very low	133 Å²	133	136.6 Å²	136.6	58%	0.578	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-58.6	-24.5	175.3	-62.2	168.6	-170.5	132.5	0	113.2	D139 N145	D139-K141 HydrophobicContact CB-CB 4.34Å; D139-K141 HydrophobicContact CB-CD 4.31Å; D139-K141 HydrophobicContact CB-CG 4.42Å; D139-K141 PolarHBondContact O-N 3.48Å; D139-K141 IonicContact OD1-NZ 2.62Å; D139-K141 PolarHBondContact OD1-NZ 3.41Å; K141-N145 PolarHBondContact O-ND2 3.03Å
142	N	28	Very low	26.6	Very low	113 Å²	113	139.5 Å²	139.5	60%	0.604	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-79.9	-23.7	174.2	-76.1	-31.6	0	0	0	113.1	D139 D140	D139-N142 PolarHBondContact O-N 3.43Å; D139-N142 VanDerWaalsContact O-N 3.14Å; D140-N142 PolarHBondContact O-N 3.09Å
143	H	28.4	Very low	26.4	Very low	141 Å²	141	139.1 Å²	139.1	65%	0.653	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-35.7	-178.2	-142	-34.8	0	0	0	112.3	D140 N145 L146	D140-H143 PolarHBondContact O-N 2.95Å; H143-N145 PolarHBondContact O-N 2.9Å; H143-L146 PolarHBondContact O-N 3.4Å
144	Q	28.3	Very low	26.5	Very low	133 Å²	133	142.9 Å²	142.9	62%	0.621	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-66.3	-19.2	179.4	-68.6	-179.5	-24	0	0	114	D140 L146 N148	D140-Q144 PolarHBondContact O-N 2.83Å; Q144-L146 PolarHBondContact O-N 3.03Å; Q144-N148 PolarHBondContact O-ND2 3.01Å
145	N	25.7	Very low	26.7	Very low	113 Å²	113	141.5 Å²	141.5	60%	0.604	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-81.5	-7.3	-178.1	-80	-60.3	0	0	0	114.6	K141 H143	K141-N145 PolarHBondContact O-ND2 3.03Å; H143-N145 PolarHBondContact O-N 2.9Å
146	L	26.1	Very low	26.8	Very low	147 Å²	147	138.9 Å²	138.9	77%	0.77	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-95.4	-10.6	172.6	-91.4	74.1	0	0	0	113.7	H143 Q144	H143-L146 PolarHBondContact O-N 3.4Å; Q144-L146 PolarHBondContact O-N 3.03Å
147	Q	28	Very low	27.3	Very low	149 Å²	149	139.8 Å²	139.8	70%	0.696	71%	0.713	S	S	*	*	S	Bend	trans	-88.8	-8.1	-173.1	-132.1	77.3	27.3	0	0	114.7
148	N	28.2	Very low	27.5	Very low	122 Å²	122	141 Å²	141	65%	0.652	71%	0.711	S	S	*	*			trans	-109	20.6	-162.9	-71.8	-29.1	0	0	0	115.4	Q144	Q144-N148 PolarHBondContact O-ND2 3.01Å
149	F	24.7	Very low	27.5	Very low	197 Å²	197	142.4 Å²	142.4	86%	0.864	72%	0.72	S	S	*	*			trans	-119.1	59.4	177.4	-87.3	-83.9	0	0	0	112.8
150	H	25.8	Very low	27.5	Very low	177 Å²	177	142 Å²	142	82%	0.819	73%	0.725	S	S	*	*			trans	-123.9	159	155.2	-92.6	-96.7	0	0	0	108.9
151	D	24	Very low	27.4	Very low	143 Å²	143	142.6 Å²	142.6	77%	0.765	73%	0.727	S	S	*	*			trans	61	86.7	174.3	-58.6	-9.5	0	0	0	117.9
152	K	30.8	Very low	27.3	Very low	208 Å²	208	142 Å²	142	90%	0.904	73%	0.731	S	S	*	*				-169.6	140	109.2	-98.4	150.4	-169.3	170.7	0	113.1
153	T	25.2	Very low	27.3	Very low	115 Å²	115	144 Å²	144	71%	0.706	74%	0.742	S	S	*	*			trans	-101	176.6	175.2	50.8	0	0	0	0	111.1
154	D	26	Very low	27.5	Very low	145 Å²	145	142.8 Å²	142.8	78%	0.775	73%	0.734	S	S	*	*			trans	63.8	102.5	158.1	-45.6	-50.7	0	0	0	117.6
155	D	32.8	Very low	27.9	Very low	153 Å²	153	141.7 Å²	141.7	82%	0.818	73%	0.733	S	S	*	*				-156.9	171.7	99.4	-134.5	-36.1	0	0	0	112.7
156	N	26	Very low	28.6	Very low	128 Å²	128	140.6 Å²	140.6	68%	0.684	72%	0.721	S	S	*	*			trans	-80.2	142	-170.1	-68.6	-100.2	0	0	0	113.7
157	D	33.7	Very low	29.3	Very low	164 Å²	164	136.7 Å²	136.7	88%	0.877	70%	0.703	S	S	*	*				-153.7	144	124.7	-135.9	-23.2	0	0	0	113.3
158	N	27	Very low	30.1	Very low	130 Å²	130	129.9 Å²	129.9	70%	0.695	67%	0.672	S	S	*	*			trans	-106.7	109.9	-168.6	-84.6	-86	0	0	0	113.1
159	N	26.1	Very low	30.9	Very low	157 Å²	157	126.7 Å²	126.7	84%	0.84	67%	0.668	S	S	*	*			trans	-158.8	109.4	145.1	-124.8	-52.3	0	0	0	116.9
160	S	24.6	Very low	31.7	Very low	86 Å²	86	122.4 Å²	122.4	60%	0.601	65%	0.649	S	S	*	*			trans	37.5	122.6	135.3	-157.4	0	0	0	0	121.2
161	N	25.9	Very low	33.1	Very low	140 Å²	140	116.6 Å²	116.6	75%	0.749	63%	0.628	S	S	*	*			trans	58.9	111.8	152.2	-64.4	-25.6	0	0	0	118.6
162	N	27.6	Very low	34	Very low	120 Å²	120	112.5 Å²	112.5	64%	0.642	62%	0.62	S	S	*	*			trans	-171.4	90	135.4	-97.9	-77.6	0	0	0	109.8	K164	N162-K164 HydrophobicContact CB-CG 4.32Å
163	N	27.3	Very low	34.8	Very low	157 Å²	157	104 Å²	104	84%	0.84	58%	0.583	S	S	*	*			trans	-60.7	135.1	156.2	-70.9	9.1	0	0	0	107.7
164	K	34	Very low	36.1	Very low	114 Å²	114	101.4 Å²	101.4	50%	0.496	57%	0.565	S	S	.	*			trans	-133.3	93.1	-177.6	-66.1	171.3	-159.6	149.3	0	109.2	N162 Y166	N162-K164 HydrophobicContact CB-CG 4.32Å; K164-Y166 WeakPolarHBondContact O-CD2 3.34Å; K164-Y166 PolarHBondContact O-N 3.49Å
165	D	35.6	Very low	36.9	Very low	110 Å²	110	95.3 Å²	95.3	59%	0.588	53%	0.531	S	S	*	.			trans	-67.8	119.7	175.8	-45	-72.6	0	0	0	109.8	T167	D165-T167 PolarHBondContact O-N 2.84Å
166	Y	40.1	Very low	37.7	Very low	91 Å²	91	88.9 Å²	88.9	36%	0.357	50%	0.501	S	S	.	.			trans	-77.6	88.5	-175.6	-78	-89.7	0	0	0	111.1	K164 F175 G176 A178 V181 M300	K164-Y166 WeakPolarHBondContact O-CD2 3.34Å; K164-Y166 PolarHBondContact O-N 3.49Å; Y166-F175 WeakPolarHBondContact O-CB 3.33Å; Y166-F175 WeakPolarHBondContact O-CD2 3.39Å; Y166-F175 PolarHBondContact O-N 3.22Å; Y166-G176 WeakPolarHBondContact CD2-O 3.46Å; Y166-G176 PolarHBondContact N-O 2.89Å; Y166-A178 HydrophobicContact CE2-CB 4.12Å; Y166-V181 HydrophobicContact CD2-CG2 4.25Å; Y166-V181 HydrophobicContact CG-CG2 4.27Å; Y166-M300 HydrophobicContact CE1-SD 4.33Å
167	T	41.6	Very low	38.6	Very low	64 Å²	64	85.6 Å²	85.6	39%	0.393	49%	0.486	S	S	.	.	B	Isolated β-bridge	trans	-87.7	136.8	-179.1	38.1	0	0	0	0	114.6	D165 G169 D174	D165-T167 PolarHBondContact O-N 2.84Å; T167-G169 PolarHBondContact O-N 3.26Å; T167-G169 VanDerWaalsContact O-N 3.13Å; T167-D174 WeakPolarHBondContact CG2-OD1 3.45Å
168	C	45.7	Very low	39	Very low	6 Å²	6	79.8 Å²	79.8	4%	0.041	46%	0.461	C	S	.	.			trans	-69	101	171.8	-177.3	0	0	0	0	112.3	F170 C171 G172 F173 F175 C304	C168-F170 PolarHBondContact O-N 3.01Å; C168-C171 HydrophobicContact CB-CB 4.23Å; C168-C171 WeakPolarHBondContact CB-SG 3.5Å; C168-C171 PolarHBondContact O-N 3.33Å; C168-C171 VanDerWaalsContact O-N 3.13Å; C168-C171 VanDerWaalsContact SG-CA 3.55Å; C168-C171 WeakPolarHBondContact SG-CB 3.35Å; C168-C171 PolarHBondContact SG-N 3.49Å; C168-C171 CovalentContact SG-SG 2.04Å; C168-C171 PolarHBondContact SG-SG 2.86Å; C168-G172 PolarHBondContact O-N 3.05Å; C168-F173 HydrophobicContact CB-CB 4.02Å; C168-F173 WeakPolarHBondContact CB-O 3.43Å; C168-F173 PolarHBondContact N-O 3.42Å; C168-F175 HydrophobicContact CB-CE2 4.09Å; C168-C304 PolarHBondContact SG-SG 3.1Å
169	G	44.4	Very low	39.7	Very low	56 Å²	56	80.4 Å²	80.4	58%	0.577	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-9.9	179.3	0	0	0	0	0	116.8	T167	T167-G169 PolarHBondContact O-N 3.26Å; T167-G169 VanDerWaalsContact O-N 3.13Å
170	F	41.2	Very low	40.5	Very low	106 Å²	106	77.7 Å²	77.7	47%	0.465	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-19.2	175.6	-77.3	-66.5	0	0	0	115.3	C168 R309 V312	C168-F170 PolarHBondContact O-N 3.01Å; F170-R309 HydrophobicContact CB-CB 4.49Å; F170-R309 HydrophobicContact CD2-CB 3.49Å; F170-R309 VanDerWaalsContact CD2-CB 3.49Å; F170-R309 HydrophobicContact CD2-CG 4.25Å; F170-R309 HydrophobicContact CE2-CB 3.86Å; F170-R309 HydrophobicContact CG-CB 4.1Å; F170-R309 HydrophobicContact CG-CG 4.47Å; F170-V312 HydrophobicContact CE2-CG2 3.72Å; F170-V312 HydrophobicContact CZ-CG2 4.09Å
171	C	55.1	Low	41.4	Very low	55 Å²	55	74 Å²	74	37%	0.372	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.6	-0.5	-166.6	71.1	0	0	0	0	114.6	C168 F173 C307	C168-C171 HydrophobicContact CB-CB 4.23Å; C168-C171 WeakPolarHBondContact CB-SG 3.5Å; C168-C171 PolarHBondContact O-N 3.33Å; C168-C171 VanDerWaalsContact O-N 3.13Å; C168-C171 VanDerWaalsContact SG-CA 3.55Å; C168-C171 WeakPolarHBondContact SG-CB 3.35Å; C168-C171 PolarHBondContact SG-N 3.49Å; C168-C171 CovalentContact SG-SG 2.04Å; C168-C171 PolarHBondContact SG-SG 2.86Å; C171-F173 PolarHBondContact O-N 3.12Å; C171-C307 HydrophobicContact CB-CB 4.5Å
172	G	43.3	Very low	42	Very low	58 Å²	58	71.7 Å²	71.7	60%	0.598	40%	0.4	S	S	*	.			trans	75.8	-17.2	174.3	0	0	0	0	0	116.1	C168 D174	C168-G172 PolarHBondContact O-N 3.05Å; G172-D174 PolarHBondContact O-N 3.43Å
173	F	47.3	Very low	42.7	Very low	29 Å²	29	72.1 Å²	72.1	13%	0.127	40%	0.398	C	S	.	.			trans	-57.3	132.3	-178.4	-164.6	-95.6	0	0	0	113.6	C168 C171 F175 L306 Y1058 L1061	C168-F173 HydrophobicContact CB-CB 4.02Å; C168-F173 WeakPolarHBondContact CB-O 3.43Å; C168-F173 PolarHBondContact N-O 3.42Å; C171-F173 PolarHBondContact O-N 3.12Å; F173-F175 HydrophobicContact CB-CE2 4.4Å; F173-F175 HydrophobicContact CD1-CD1 4.05Å; F173-F175 AromaticContact CD1-CD2 3.95Å; F173-F175 HydrophobicContact CD1-CD2 3.95Å; F173-F175 AromaticContact CD1-CE1 3.83Å; F173-F175 HydrophobicContact CD1-CE1 3.83Å; F173-F175 AromaticContact CD1-CE2 3.73Å; F173-F175 HydrophobicContact CD1-CE2 3.73Å; F173-F175 HydrophobicContact CD1-CG 4.1Å; F173-F175 AromaticContact CD1-CZ 3.66Å; F173-F175 HydrophobicContact CD1-CZ 3.66Å; F173-F175 HydrophobicContact CE1-CD1 4.01Å; F173-F175 AromaticContact CE1-CE1 3.92Å; F173-F175 HydrophobicContact CE1-CE1 3.92Å; F173-F175 HydrophobicContact CE1-CG 4.39Å; F173-F175 HydrophobicContact CE1-CZ 4.22Å; F173-L306 HydrophobicContact CB-CD1 3.71Å; F173-L306 HydrophobicContact CD1-CD1 3.72Å; F173-L306 HydrophobicContact CD2-CD1 3.32Å; F173-L306 HydrophobicContact CE1-CD1 4.09Å; F173-L306 HydrophobicContact CE2-CD1 3.72Å; F173-L306 HydrophobicContact CG-CD1 3.3Å; F173-L306 HydrophobicContact CZ-CD1 4.09Å; F173-Y1058 HydrophobicContact CE1-CE1 4.47Å; F173-Y1058 HydrophobicContact CZ-CD1 4.35Å; F173-Y1058 HydrophobicContact CZ-CE1 4.24Å; F173-L1061 HydrophobicContact CE2-CB 3.61Å; F173-L1061 HydrophobicContact CZ-CB 3.83Å; F173-L1061 HydrophobicContact CZ-CD1 3.98Å
174	D	52.7	Low	43.1	Very low	60 Å²	60	68.7 Å²	68.7	32%	0.321	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-90.2	123.4	173.1	-93.7	-53.9	0	0	0	111	T167 G172	T167-D174 WeakPolarHBondContact CG2-OD1 3.45Å; G172-D174 PolarHBondContact O-N 3.43Å
175	F	42.5	Very low	43.2	Very low	18 Å²	18	65 Å²	65	8%	0.079	36%	0.364	C	S	.	.			trans	-93.8	2.2	174.3	-66.5	-89.5	0	0	0	113.6	Y166 C168 F173 V181 P305 F311	Y166-F175 WeakPolarHBondContact O-CB 3.33Å; Y166-F175 WeakPolarHBondContact O-CD2 3.39Å; Y166-F175 PolarHBondContact O-N 3.22Å; C168-F175 HydrophobicContact CB-CE2 4.09Å; F173-F175 HydrophobicContact CB-CE2 4.4Å; F173-F175 HydrophobicContact CD1-CD1 4.05Å; F173-F175 AromaticContact CD1-CD2 3.95Å; F173-F175 HydrophobicContact CD1-CD2 3.95Å; F173-F175 AromaticContact CD1-CE1 3.83Å; F173-F175 HydrophobicContact CD1-CE1 3.83Å; F173-F175 AromaticContact CD1-CE2 3.73Å; F173-F175 HydrophobicContact CD1-CE2 3.73Å; F173-F175 HydrophobicContact CD1-CG 4.1Å; F173-F175 AromaticContact CD1-CZ 3.66Å; F173-F175 HydrophobicContact CD1-CZ 3.66Å; F173-F175 HydrophobicContact CE1-CD1 4.01Å; F173-F175 AromaticContact CE1-CE1 3.92Å; F173-F175 HydrophobicContact CE1-CE1 3.92Å; F173-F175 HydrophobicContact CE1-CG 4.39Å; F173-F175 HydrophobicContact CE1-CZ 4.22Å; F175-V181 HydrophobicContact CB-CG2 3.92Å; F175-P305 HydrophobicContact CE1-CG 3.92Å; F175-P305 HydrophobicContact CZ-CG 4.15Å; F175-F311 AromaticContact CD2-CE1 3.84Å; F175-F311 HydrophobicContact CD2-CE1 3.84Å; F175-F311 AromaticContact CD2-CZ 3.64Å; F175-F311 HydrophobicContact CD2-CZ 3.64Å; F175-F311 AromaticContact CE2-CE1 3.78Å; F175-F311 HydrophobicContact CE2-CE1 3.78Å; F175-F311 HydrophobicContact CE2-CE2 4.45Å; F175-F311 AromaticContact CE2-CZ 3.36Å; F175-F311 HydrophobicContact CE2-CZ 3.36Å; F175-F311 HydrophobicContact CG-CZ 4.34Å; F175-F311 AromaticContact CZ-CZ 3.86Å; F175-F311 HydrophobicContact CZ-CZ 3.86Å
176	G	49.2	Very low	43.2	Very low	18 Å²	18	65.1 Å²	65.1	19%	0.186	36%	0.364	C	S	.	.			trans	78.6	-141.8	172.1	0	0	0	0	0	114.5	Y166	Y166-G176 WeakPolarHBondContact CD2-O 3.46Å; Y166-G176 PolarHBondContact N-O 2.89Å
177	T	46.3	Very low	43	Very low	58 Å²	58	64.8 Å²	64.8	36%	0.356	37%	0.368	S	S	.	.	S	Bend	trans	-80.4	167.2	179.5	70.9	0	0	0	0	112.3	E179 Q180 V181	T177-E179 VanDerWaalsContact C-N 3.29Å; T177-E179 PolarHBondContact O-N 3.28Å; T177-E179 PolarHBondContact OG1-OE2 3.46Å; T177-E179 VanDerWaalsContact OG1-OE2 3.13Å; T177-Q180 PolarHBondContact O-N 3.19Å; T177-Q180 WeakPolarHBondContact OG1-CG 3.47Å; T177-V181 PolarHBondContact O-N 3.14Å
178	A	42	Very low	42.5	Very low	43 Å²	43	67.1 Å²	67.1	36%	0.355	37%	0.373	S	S	.	.	H	α-helix	trans	-58.3	-41	177.6	0	0	0	0	0	112.3	Y166 Q180 V181 E182 M300	Y166-A178 HydrophobicContact CE2-CB 4.12Å; A178-Q180 VanDerWaalsContact C-N 3.31Å; A178-Q180 PolarHBondContact O-N 3.47Å; A178-V181 WeakPolarHBondContact O-CB 3.4Å; A178-V181 PolarHBondContact O-N 3.11Å; A178-E182 PolarHBondContact O-N 3.05Å; A178-M300 HydrophobicContact CB-CE 4.31Å; A178-M300 WeakPolarHBondContact O-CE 3.41Å
179	E	42.1	Very low	41.9	Very low	143 Å²	143	72.5 Å²	72.5	67%	0.668	40%	0.397	S	S	*	.	H	α-helix	trans	-60.4	-40.8	177.7	-56.4	146.6	137.5	0	0	111.4	T177 V181 E182 E183	T177-E179 VanDerWaalsContact C-N 3.29Å; T177-E179 PolarHBondContact O-N 3.28Å; T177-E179 PolarHBondContact OG1-OE2 3.46Å; T177-E179 VanDerWaalsContact OG1-OE2 3.13Å; E179-V181 VanDerWaalsContact C-N 3.32Å; E179-V181 PolarHBondContact O-N 2.99Å; E179-E182 PolarHBondContact O-N 3.46Å; E179-E182 VanDerWaalsContact O-N 3.17Å; E179-E183 PolarHBondContact O-N 3.06Å
180	Q	42.4	Very low	41.2	Very low	100 Å²	100	73.3 Å²	73.3	47%	0.467	39%	0.39	S	S	.	.	H	α-helix	trans	-69.4	-28.5	178.9	-68.9	173.7	-24.9	0	0	112.6	T177 A178 H184	T177-Q180 PolarHBondContact O-N 3.19Å; T177-Q180 WeakPolarHBondContact OG1-CG 3.47Å; A178-Q180 VanDerWaalsContact C-N 3.31Å; A178-Q180 PolarHBondContact O-N 3.47Å; Q180-H184 WeakPolarHBondContact O-CB 3.23Å; Q180-H184 PolarHBondContact O-N 2.84Å
181	V	42.4	Very low	40.7	Very low	7 Å²	7	73.1 Å²	73.1	4%	0.042	40%	0.395	C	S	.	.	H	α-helix	trans	-73	-38.2	170.5	-179.8	0	0	0	0	110.8	Y166 F175 T177 A178 E179 H184 V185 M300 I301	Y166-V181 HydrophobicContact CD2-CG2 4.25Å; Y166-V181 HydrophobicContact CG-CG2 4.27Å; F175-V181 HydrophobicContact CB-CG2 3.92Å; T177-V181 PolarHBondContact O-N 3.14Å; A178-V181 WeakPolarHBondContact O-CB 3.4Å; A178-V181 PolarHBondContact O-N 3.11Å; E179-V181 VanDerWaalsContact C-N 3.32Å; E179-V181 PolarHBondContact O-N 2.99Å; V181-H184 PolarHBondContact O-N 2.65Å; V181-V185 WeakPolarHBondContact O-CG2 3.32Å; V181-V185 PolarHBondContact O-N 3.42Å; V181-M300 HydrophobicContact CB-CE 3.77Å; V181-M300 HydrophobicContact CB-SD 4.13Å; V181-M300 HydrophobicContact CG1-CE 3.79Å; V181-M300 HydrophobicContact CG1-CG 4.02Å; V181-M300 HydrophobicContact CG1-SD 3.63Å; V181-I301 HydrophobicContact CG1-CD1 3.84Å; V181-I301 HydrophobicContact CG1-CG1 4.34Å
182	E	38.5	Very low	39.5	Very low	93 Å²	93	76.8 Å²	76.8	44%	0.435	41%	0.41	S	S	.	.	H	α-helix	trans	-69.4	-44.1	-177.3	-158.5	150.6	-120.8	0	0	112.2	A178 E179 H184 V185 L186	A178-E182 PolarHBondContact O-N 3.05Å; E179-E182 PolarHBondContact O-N 3.46Å; E179-E182 VanDerWaalsContact O-N 3.17Å; E182-H184 VanDerWaalsContact C-N 3.27Å; E182-H184 PolarHBondContact O-N 3.38Å; E182-V185 PolarHBondContact O-N 3.06Å; E182-V185 VanDerWaalsContact O-N 3.13Å; E182-L186 WeakPolarHBondContact O-CG 3.32Å; E182-L186 PolarHBondContact O-N 3.19Å
183	E	43.2	Very low	38.8	Very low	129 Å²	129	80.2 Å²	80.2	60%	0.603	41%	0.414	S	S	*	.	H	α-helix	trans	-55.4	-43	169.3	-171.8	-175.7	-173.5	0	0	111.4	E179 V185 L186 L187	E179-E183 PolarHBondContact O-N 3.06Å; E183-V185 VanDerWaalsContact C-N 3.3Å; E183-V185 PolarHBondContact O-N 3.08Å; E183-L186 PolarHBondContact O-N 3.07Å; E183-L187 HydrophobicContact CG-CD1 4.34Å; E183-L187 WeakPolarHBondContact O-CG 3.41Å; E183-L187 PolarHBondContact O-N 3.37Å
184	H	36.1	Very low	37.8	Very low	85 Å²	85	83.5 Å²	83.5	39%	0.394	44%	0.437	S	S	.	.	H	α-helix	trans	-69.3	-22.7	179.1	-114.3	-54	0	0	0	114.6	Q180 V181 E182	Q180-H184 WeakPolarHBondContact O-CB 3.23Å; Q180-H184 PolarHBondContact O-N 2.84Å; V181-H184 PolarHBondContact O-N 2.65Å; E182-H184 VanDerWaalsContact C-N 3.27Å; E182-H184 PolarHBondContact O-N 3.38Å
185	V	35.9	Very low	36.5	Very low	35 Å²	35	86.9 Å²	86.9	21%	0.212	46%	0.46	C	S	.	.	H	α-helix	trans	-80.1	-48.2	173.6	168.4	0	0	0	0	110.4	V181 E182 E183 L187 K188 H189 I301	V181-V185 WeakPolarHBondContact O-CG2 3.32Å; V181-V185 PolarHBondContact O-N 3.42Å; E182-V185 PolarHBondContact O-N 3.06Å; E182-V185 VanDerWaalsContact O-N 3.13Å; E183-V185 VanDerWaalsContact C-N 3.3Å; E183-V185 PolarHBondContact O-N 3.08Å; V185-L187 VanDerWaalsContact C-N 3.32Å; V185-L187 PolarHBondContact O-N 2.95Å; V185-K188 PolarHBondContact O-N 3.34Å; V185-H189 PolarHBondContact O-CD2 3.28Å; V185-H189 PolarHBondContact O-N 2.95Å; V185-I301 HydrophobicContact CG2-CD1 3.84Å; V185-I301 HydrophobicContact CG2-CG1 3.47Å; V185-I301 VanDerWaalsContact CG2-CG1 3.47Å
186	L	35.5	Very low	35.7	Very low	114 Å²	114	90.3 Å²	90.3	60%	0.597	49%	0.486	S	S	*	.	H	α-helix	trans	-58.1	-43.9	-177.3	-70.9	167.4	0	0	0	111.9	E182 E183 K188 H189 T190	E182-L186 WeakPolarHBondContact O-CG 3.32Å; E182-L186 PolarHBondContact O-N 3.19Å; E183-L186 PolarHBondContact O-N 3.07Å; L186-K188 VanDerWaalsContact C-N 3.28Å; L186-K188 PolarHBondContact O-N 3.36Å; L186-H189 PolarHBondContact O-N 3.5Å; L186-T190 PolarHBondContact O-N 2.84Å
187	L	34.6	Very low	34.6	Very low	84 Å²	84	96 Å²	96	44%	0.44	51%	0.512	S	S	.	.	H	α-helix	trans	-58	-35.3	175.9	-74.8	165.5	0	0	0	113.4	E183 V185 H189 T190 D191	E183-L187 HydrophobicContact CG-CD1 4.34Å; E183-L187 WeakPolarHBondContact O-CG 3.41Å; E183-L187 PolarHBondContact O-N 3.37Å; V185-L187 VanDerWaalsContact C-N 3.32Å; V185-L187 PolarHBondContact O-N 2.95Å; L187-H189 VanDerWaalsContact C-N 3.32Å; L187-H189 PolarHBondContact O-N 3.18Å; L187-T190 WeakPolarHBondContact CA-OG1 3.42Å; L187-T190 PolarHBondContact O-OG1 3Å; L187-D191 VanDerWaalsContact O-CG 3.23Å; L187-D191 PolarHBondContact O-N 2.94Å
188	K	32.7	Very low	33.6	Very low	113 Å²	113	104.5 Å²	104.5	49%	0.491	54%	0.54	S	S	.	.	H	α-helix	trans	-75.9	-18.1	177.4	-83.5	-162.5	170.6	-167.7	0	114.2	V185 L186 N192	V185-K188 PolarHBondContact O-N 3.34Å; L186-K188 VanDerWaalsContact C-N 3.28Å; L186-K188 PolarHBondContact O-N 3.36Å; K188-N192 PolarHBondContact O-ND2 2.86Å
189	H	31.7	Very low	32.9	Very low	119 Å²	119	107.9 Å²	107.9	55%	0.551	56%	0.561	S	S	*	*	H	α-helix	trans	-86.1	-32.5	174.1	-76.3	-73.8	0	0	0	112.1	V185 L186 L187 D191 N192	V185-H189 PolarHBondContact O-CD2 3.28Å; V185-H189 PolarHBondContact O-N 2.95Å; L186-H189 PolarHBondContact O-N 3.5Å; L187-H189 VanDerWaalsContact C-N 3.32Å; L187-H189 PolarHBondContact O-N 3.18Å; H189-D191 VanDerWaalsContact C-N 3.34Å; H189-D191 PolarHBondContact O-N 2.88Å; H189-N192 PolarHBondContact O-N 2.93Å
190	T	31.5	Very low	32.2	Very low	72 Å²	72	104.6 Å²	104.6	44%	0.442	57%	0.565	S	S	.	*	H	α-helix	trans	-66	-34.1	171.9	47.6	0	0	0	0	113.2	L186 L187 N192 L193 T194	L186-T190 PolarHBondContact O-N 2.84Å; L187-T190 WeakPolarHBondContact CA-OG1 3.42Å; L187-T190 PolarHBondContact O-OG1 3Å; T190-N192 PolarHBondContact O-N 2.7Å; T190-N192 VanDerWaalsContact O-N 3.16Å; T190-L193 PolarHBondContact O-N 2.79Å; T190-L193 VanDerWaalsContact O-N 3.1Å; T190-T194 WeakPolarHBondContact O-CG2 3.2Å; T190-T194 PolarHBondContact O-OG1 3.41Å; T190-T194 VanDerWaalsContact O-OG1 3.1Å
191	D	29.8	Very low	31.5	Very low	103 Å²	103	106.7 Å²	106.7	55%	0.551	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-13	179.5	-68.8	-6.2	0	0	0	113.7	L187 H189	L187-D191 VanDerWaalsContact O-CG 3.23Å; L187-D191 PolarHBondContact O-N 2.94Å; H189-D191 VanDerWaalsContact C-N 3.34Å; H189-D191 PolarHBondContact O-N 2.88Å
192	N	29	Very low	30.8	Very low	132 Å²	132	112.7 Å²	112.7	71%	0.706	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	5.5	175.5	-68.7	-79.5	0	0	0	113.3	K188 H189 T190	K188-N192 PolarHBondContact O-ND2 2.86Å; H189-N192 PolarHBondContact O-N 2.93Å; T190-N192 PolarHBondContact O-N 2.7Å; T190-N192 VanDerWaalsContact O-N 3.16Å
193	L	28.8	Very low	30.2	Very low	129 Å²	129	114.4 Å²	114.4	68%	0.675	64%	0.641	S	S	*	*	S	Bend	trans	-120.7	9	-178.4	-85.6	163.1	0	0	0	113.2	T190	T190-L193 PolarHBondContact O-N 2.79Å; T190-L193 VanDerWaalsContact O-N 3.1Å
194	T	26.9	Very low	29.4	Very low	98 Å²	98	114.2 Å²	114.2	60%	0.601	65%	0.649	S	S	*	*	S	Bend	trans	-108.8	-7.4	-173.8	37.3	0	0	0	0	114.5	T190 S196	T190-T194 WeakPolarHBondContact O-CG2 3.2Å; T190-T194 PolarHBondContact O-OG1 3.41Å; T190-T194 VanDerWaalsContact O-OG1 3.1Å; T194-S196 PolarHBondContact O-N 3.32Å
195	T	26.2	Very low	29	Very low	132 Å²	132	117.1 Å²	117.1	81%	0.81	67%	0.667	S	S	*	*	S	Bend	trans	-99.6	43.9	176.6	60.8	0	0	0	0	113.3
196	S	25.5	Very low	28.7	Very low	90 Å²	90	121.6 Å²	121.6	63%	0.629	70%	0.695	S	S	*	*	S	Bend	trans	-148.4	30.6	177.2	71.7	0	0	0	0	113.8	T194	T194-S196 PolarHBondContact O-N 3.32Å
197	N	24.8	Very low	28.5	Very low	137 Å²	137	120.4 Å²	120.4	73%	0.733	70%	0.696	S	S	*	*			trans	-141.5	90.8	177.8	-84.2	-61	0	0	0	111.3
198	Y	25.5	Very low	28.3	Very low	237 Å²	237	123 Å²	123	93%	0.929	71%	0.71	S	S	*	*			trans	-133.8	105.8	154.6	-118.8	-85.8	0	0	0	108.3
199	S	28.5	Very low	28.3	Very low	114 Å²	114	123.1 Å²	123.1	80%	0.797	73%	0.726	S	S	*	*			trans	-71.1	141	177.6	36.6	0	0	0	0	110.7
200	G	26.9	Very low	28.4	Very low	74 Å²	74	122.6 Å²	122.6	76%	0.763	74%	0.735	S	S	*	*			trans	-75.6	152.6	-175.7	0	0	0	0	0	114.1
201	T	26.6	Very low	28.3	Very low	143 Å²	143	123.9 Å²	123.9	88%	0.877	75%	0.747	S	S	*	*			trans	-134.7	73.8	168.4	39.1	0	0	0	0	110.5
202	T	27.9	Very low	28.5	Very low	134 Å²	134	127 Å²	127	82%	0.822	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-86.6	127.2	164.8	47.7	0	0	0	0	109.6
203	P	26.6	Very low	28.5	Very low	128 Å²	128	124.6 Å²	124.6	83%	0.831	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-68	149.8	178.1	28.7	-34.2	0	0	0	111.8
204	T	25.7	Very low	28.6	Very low	126 Å²	126	126.1 Å²	126.1	77%	0.773	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-70.5	146.6	-177.3	50.7	0	0	0	0	113.7
205	N	29.4	Very low	28.8	Very low	146 Å²	146	126.9 Å²	126.9	78%	0.781	77%	0.773	S	S	*	*			trans	-163.8	135.7	133.3	-95.2	-26.8	0	0	0	111.6
206	T	29.6	Very low	29	Very low	128 Å²	128	125.5 Å²	125.5	79%	0.785	77%	0.765	S	S	*	*			trans	44.6	136.2	152.7	57.2	0	0	0	0	121.7
207	S	30.1	Very low	29.2	Very low	90 Å²	90	128.4 Å²	128.4	63%	0.629	77%	0.772	S	S	*	*			cis	-169.1	173.1	-12.7	52.7	0	0	0	0	110.8
208	D	30.8	Very low	29.3	Very low	137 Å²	137	128.1 Å²	128.1	73%	0.733	77%	0.769	S	S	*	*			trans	70.5	116.3	153	-50.8	-45.3	0	0	0	123.3
209	S	32.2	Very low	29.6	Very low	117 Å²	117	122.4 Å²	122.4	82%	0.818	76%	0.759	S	S	*	*			trans	68.5	144.9	143	63.5	0	0	0	0	121.1
210	S	33.7	Very low	29.7	Very low	107 Å²	107	122.8 Å²	122.8	75%	0.748	76%	0.757	S	S	*	*			cis	-157.5	144.9	-10.6	44.7	0	0	0	0	114.2
211	S	29.4	Very low	29.8	Very low	100 Å²	100	123.9 Å²	123.9	70%	0.699	75%	0.753	S	S	*	*			trans	1.1	134.8	157.9	58.6	0	0	0	0	122.8
212	I	33.7	Very low	30	Very low	167 Å²	167	124.6 Å²	124.6	86%	0.856	75%	0.751	S	S	*	*				-170.4	112.6	115	-86.8	144.7	0	0	0	105.4
213	A	29.1	Very low	30.1	Very low	83 Å²	83	122.6 Å²	122.6	69%	0.686	74%	0.742	S	S	*	*			cis	94.5	113	37.1	0	0	0	0	0	114
214	L	31.5	Very low	30.4	Very low	160 Å²	160	124 Å²	124	84%	0.838	74%	0.743	S	S	*	*			trans	155.1	92.9	153.1	-84.2	171.4	0	0	0	108.5
215	T	31	Very low	30.3	Very low	114 Å²	114	124.2 Å²	124.2	70%	0.699	75%	0.748	S	S	*	*				72.6	137.6	83.3	60.1	0	0	0	0	115.5
216	T	29.6	Very low	30.4	Very low	103 Å²	103	122.5 Å²	122.5	63%	0.632	75%	0.747	S	S	*	*			cis	-167.8	175.1	-5.8	-82.3	0	0	0	0	109.2	I218	T216-I218 HydrophobicContact CG2-CD1 3.67Å; T216-I218 HydrophobicContact CG2-CG1 4.27Å
217	I	30.7	Very low	30.3	Very low	151 Å²	151	121.8 Å²	121.8	77%	0.774	75%	0.748	S	S	*	*			trans	104.4	89.6	166.9	-54.8	173.2	0	0	0	111.4
218	I	27.4	Very low	30.1	Very low	132 Å²	132	122.5 Å²	122.5	68%	0.677	75%	0.753	S	S	*	*				65.8	114	53.2	-48.7	172.2	0	0	0	110	T216	T216-I218 HydrophobicContact CG2-CD1 3.67Å; T216-I218 HydrophobicContact CG2-CG1 4.27Å
219	T	31	Very low	29.9	Very low	116 Å²	116	122.2 Å²	122.2	71%	0.712	76%	0.756	S	S	*	*				-152.2	135.8	70.8	45.3	0	0	0	0	115.1
220	T	29.9	Very low	29.5	Very low	123 Å²	123	122.3 Å²	122.3	76%	0.755	75%	0.752	S	S	*	*			trans	47.2	147.5	134.6	65.6	0	0	0	0	121.1
221	S	30.7	Very low	29.1	Very low	97 Å²	97	123.2 Å²	123.2	68%	0.678	75%	0.753	S	S	*	*			cis	172.9	161.2	-3	50.3	0	0	0	0	106.4
222	N	30.7	Very low	28.9	Very low	157 Å²	157	125.7 Å²	125.7	84%	0.84	76%	0.756	S	S	*	*			cis	-154.6	167.8	-1.3	-116.3	5	0	0	0	109.1
223	S	30.3	Very low	28.5	Very low	92 Å²	92	121.8 Å²	121.8	64%	0.643	75%	0.749	S	S	*	*			trans	-75.1	161	171.9	56.4	0	0	0	0	113.3
224	N	31.3	Very low	28.5	Very low	159 Å²	159	126 Å²	126	85%	0.85	75%	0.752	S	S	*	*				-172.9	153.9	107.9	-87.3	-7.9	0	0	0	111.7
225	C	23.8	Very low	28.3	Very low	130 Å²	130	124.4 Å²	124.4	88%	0.878	74%	0.744	S	S	*	*			trans	-140.3	125.9	-176.3	-174.2	0	0	0	0	110.1
226	S	32.2	Very low	28.2	Very low	109 Å²	109	121.5 Å²	121.5	76%	0.762	73%	0.729	S	S	*	*			trans	-162.4	100.8	173.4	54.9	0	0	0	0	112.9
227	S	28.4	Very low	28.2	Very low	113 Å²	113	123.8 Å²	123.8	79%	0.79	73%	0.73	S	S	*	*			trans	53.6	134.5	136.3	-53.4	0	0	0	0	123.7
228	S	25.1	Very low	28.1	Very low	106 Å²	106	122.3 Å²	122.3	74%	0.741	72%	0.715	S	S	*	*			trans	91.4	144.7	140.2	-62.6	0	0	0	0	121.6
229	T	26	Very low	28.2	Very low	130 Å²	130	120.5 Å²	120.5	80%	0.798	71%	0.714	S	S	*	*			trans	60	110.8	166.3	45.2	0	0	0	0	117.5
230	V	24	Very low	28.3	Very low	120 Å²	120	120.9 Å²	120.9	73%	0.727	72%	0.716	S	S	*	*				88.7	138.1	57.3	167.7	0	0	0	0	112.7
231	T	25.6	Very low	28.2	Very low	125 Å²	125	121.7 Å²	121.7	77%	0.767	72%	0.716	S	S	*	*			trans	61.2	148.9	178.5	45.3	0	0	0	0	116.7
232	I	24.3	Very low	28.5	Very low	152 Å²	152	121.9 Å²	121.9	78%	0.779	72%	0.715	S	S	*	*			cis	166.3	153.6	-29.1	-104	168.7	0	0	0	104.5
233	A	26.9	Very low	28.3	Very low	85 Å²	85	118.6 Å²	118.6	70%	0.702	71%	0.71	S	S	*	*			trans	70.1	154.7	173.5	0	0	0	0	0	116.6
234	K	28.5	Very low	28.2	Very low	172 Å²	172	119.4 Å²	119.4	75%	0.748	72%	0.716	S	S	*	*			cis	170.5	138.9	-36.1	-109.6	172.8	-179.9	178.9	0	105.6
235	N	27	Very low	28	Very low	126 Å²	126	120 Å²	120	67%	0.674	71%	0.71	S	S	*	*			trans	65.1	155.6	149.3	-67.4	7.6	0	0	0	118.8
236	S	29.9	Very low	28.1	Very low	54 Å²	54	121.7 Å²	121.7	38%	0.378	70%	0.703	S	S	.	*			cis	-179.6	160.3	-19.6	58.4	0	0	0	0	109.9	T971	S236-T971 WeakPolarHBondContact O-CG2 3.33Å
237	K	29.7	Very low	28.1	Very low	150 Å²	150	123.2 Å²	123.2	65%	0.652	70%	0.703	S	S	*	*			trans	57.5	176.3	163.4	-45.5	164.5	-176.9	176.8	0	115	T971	K237-T971 HydrophobicContact CB-CG2 3.96Å
238	Y	28.6	Very low	28.2	Very low	120 Å²	120	121.1 Å²	121.1	47%	0.471	70%	0.699	S	S	.	*			cis	-113	149.2	-3.3	-96.7	-110.6	0	0	0	109.9	T971	Y238-T971 HydrophobicContact CD2-CG2 3.52Å; Y238-T971 WeakPolarHBondContact CD2-OG1 3.48Å; Y238-T971 HydrophobicContact CE2-CG2 3.82Å
239	S	27.8	Very low	28.5	Very low	94 Å²	94	121.9 Å²	121.9	66%	0.657	70%	0.701	S	S	*	*				66.2	147.5	92.5	-137.5	0	0	0	0	114
240	V	33.1	Very low	28.4	Very low	124 Å²	124	127 Å²	127	75%	0.752	71%	0.706	S	S	*	*			cis	-140.5	135.9	22.7	-174.5	0	0	0	0	106.9
241	D	29	Very low	28.6	Very low	140 Å²	140	124.8 Å²	124.8	75%	0.749	70%	0.696	S	S	*	*				66.5	159	65.9	-126.8	28.3	0	0	0	114.3
242	P	37.1	Very low	28.8	Very low	101 Å²	101	126.9 Å²	126.9	66%	0.656	70%	0.697	S	S	*	*				-135.8	-170.9	-96.6	42.8	-26.6	0	0	0	116.5
243	A	26.4	Very low	29	Very low	88 Å²	88	122.7 Å²	122.7	73%	0.727	69%	0.692	S	S	*	*			trans	80.7	165.3	152.3	0	0	0	0	0	120.1
244	S	27	Very low	29.1	Very low	110 Å²	110	126.3 Å²	126.3	77%	0.769	69%	0.691	S	S	*	*			trans	76.7	151.5	173.6	96.9	0	0	0	0	115.8
245	K	28.1	Very low	28.9	Very low	170 Å²	170	125.4 Å²	125.4	74%	0.739	69%	0.69	S	S	*	*			cis	-167.5	162.3	-17.2	-123.7	170	-179.5	170.7	0	110.1
246	F	25.9	Very low	29	Very low	166 Å²	166	123.6 Å²	123.6	73%	0.728	69%	0.687	S	S	*	*			trans	69.4	145.3	150.1	-80.7	-57.5	0	0	0	122.4
247	N	31.3	Very low	28.7	Very low	142 Å²	142	131.4 Å²	131.4	76%	0.759	71%	0.708	S	S	*	*			trans	69.6	99.1	149.7	-59	-12.2	0	0	0	120.4
248	G	31.4	Very low	28.6	Very low	68 Å²	68	134.1 Å²	134.1	70%	0.701	72%	0.72	S	S	*	*			trans	-75.5	170.5	134.4	0	0	0	0	0	111.2
249	P	31.2	Very low	28.5	Very low	122 Å²	122	133.4 Å²	133.4	79%	0.792	73%	0.732	S	S	*	*				-126.1	165	105.8	37.2	-28.8	0	0	0	110.8
250	R	24.6	Very low	28.4	Very low	237 Å²	237	135.8 Å²	135.8	89%	0.894	74%	0.737	S	S	*	*				48.4	134.2	66.4	-101.8	-174.7	172.6	175.3	-2.7	110.9
251	S	28	Very low	28.1	Very low	75 Å²	75	135.8 Å²	135.8	52%	0.524	73%	0.733	S	S	.	*			cis	-173.8	168.6	13.3	60.9	0	0	0	0	111.1
252	Q	29.1	Very low	28.1	Very low	169 Å²	169	137 Å²	137	79%	0.79	73%	0.731	S	S	*	*			trans	70.1	157.4	162.8	-57.2	164.6	73.7	0	0	115.1
253	G	29.1	Very low	27.8	Very low	64 Å²	64	137.7 Å²	137.7	66%	0.66	73%	0.73	S	S	*	*			cis	-114.4	151.6	-9.5	0	0	0	0	0	111.3
254	K	27.6	Very low	28.1	Very low	160 Å²	160	140.4 Å²	140.4	70%	0.696	73%	0.732	S	S	*	*				87.1	131.8	61	-82.6	179.4	154.3	-149.2	0	112.7
255	E	25.6	Very low	28.2	Very low	154 Å²	154	141 Å²	141	72%	0.72	72%	0.723	S	S	*	*			trans	66.2	145.4	156.1	-66.9	142.9	-131.4	0	0	116
256	S	28.1	Very low	28.6	Very low	87 Å²	87	139.2 Å²	139.2	61%	0.608	73%	0.726	S	S	*	*			cis	-148.4	139.5	-2.9	-119.3	0	0	0	0	113.7
257	R	24.2	Very low	28.8	Very low	219 Å²	219	136.9 Å²	136.9	83%	0.826	72%	0.72	S	S	*	*			trans	34.3	126.6	130.1	-61.1	171.8	173.1	170.3	-2	119.8
258	K	27.8	Very low	28.8	Very low	207 Å²	207	137.7 Å²	137.7	90%	0.9	72%	0.717	S	S	*	*				30.4	110.5	128.6	-60.4	-179.3	177.1	-174.5	0	117.9
259	S	25.4	Very low	28.6	Very low	105 Å²	105	142.1 Å²	142.1	73%	0.734	72%	0.719	S	S	*	*			trans	-164.8	145.3	140.5	42.7	0	0	0	0	113.2
260	L	26.5	Very low	28.5	Very low	144 Å²	144	144.3 Å²	144.3	75%	0.754	72%	0.717	S	S	*	*			trans	35.7	113.8	140	-79.6	72.8	0	0	0	118
261	N	27.4	Very low	28.7	Very low	123 Å²	123	136.7 Å²	136.7	66%	0.658	70%	0.704	S	S	*	*				102.8	133.9	84.1	-84.2	-4.9	0	0	0	109.9
262	K	28.9	Very low	28.7	Very low	165 Å²	165	142 Å²	142	72%	0.717	72%	0.718	S	S	*	*				61.5	150.1	99.8	-51.5	179.9	153.4	-156.4	0	114.9
263	D	29.5	Very low	28.8	Very low	117 Å²	117	143.1 Å²	143.1	63%	0.626	72%	0.72	S	S	*	*			cis	-140.2	-178.6	19.6	-85.3	-70	0	0	0	112.1
264	N	33.2	Very low	28.7	Very low	145 Å²	145	144.7 Å²	144.7	78%	0.775	72%	0.721	S	S	*	*			trans	73.3	116.9	170	-38.2	-65.5	0	0	0	114.3
265	E	30.3	Very low	28.7	Very low	122 Å²	122	142.2 Å²	142.2	57%	0.57	72%	0.724	S	S	*	*			cis	57.5	89.6	16.4	-164.5	167.4	-142.7	0	0	115.7	L267 K268	E265-L267 HydrophobicContact CG-CD2 4.23Å; E265-L267 HydrophobicContact CG-CG 4.27Å; E265-K268 VanDerWaalsContact OE1-CE 3.29Å; E265-K268 WeakPolarHBondContact OE1-CE 3.4Å; E265-K268 IonicContact OE1-NZ 3.52Å; E265-K268 PolarHBondContact OE1-NZ 2.84Å
266	V	36.4	Very low	28.6	Very low	133 Å²	133	140.7 Å²	140.7	81%	0.806	73%	0.726	S	S	*	*			trans	-122.1	87.5	144.6	-178.9	0	0	0	0	104.7
267	L	28.7	Very low	28.5	Very low	117 Å²	117	142.1 Å²	142.1	61%	0.613	73%	0.73	S	S	*	*				62.7	102.1	96.5	-61.8	170.8	0	0	0	111.1	E265	E265-L267 HydrophobicContact CG-CD2 4.23Å; E265-L267 HydrophobicContact CG-CG 4.27Å
268	K	30.9	Very low	28.5	Very low	158 Å²	158	139.4 Å²	139.4	69%	0.687	73%	0.727	S	S	*	*				80.3	150.8	63.4	-73.3	178.5	177.7	155.3	0	113.4	E265	E265-K268 VanDerWaalsContact OE1-CE 3.29Å; E265-K268 WeakPolarHBondContact OE1-CE 3.4Å; E265-K268 IonicContact OE1-NZ 3.52Å; E265-K268 PolarHBondContact OE1-NZ 2.84Å
269	E	28.6	Very low	28.5	Very low	162 Å²	162	137.5 Å²	137.5	76%	0.757	72%	0.723	S	S	*	*			trans	69.2	145	-174.3	-39.1	-161.7	119.6	0	0	114.2
270	F	28.2	Very low	28.6	Very low	167 Å²	167	142.4 Å²	142.4	73%	0.732	74%	0.735	S	S	*	*			cis	-120.9	137.6	-5.7	-74.5	-100.8	0	0	0	108.2
271	A	28.6	Very low	28.5	Very low	77 Å²	77	141.5 Å²	141.5	64%	0.636	73%	0.731	S	S	*	*			cis	89.8	131.3	42	0	0	0	0	0	115.3
272	K	27.7	Very low	28.6	Very low	186 Å²	186	145 Å²	145	81%	0.809	74%	0.743	S	S	*	*			trans	71.7	90.3	153.7	-62.8	162.8	-179	169.4	0	120.1
273	K	32.9	Very low	28.5	Very low	193 Å²	193	144.5 Å²	144.5	84%	0.839	74%	0.743	S	S	*	*				152.2	121.9	112.2	-81.1	164.2	179.1	-176.6	0	109.6
274	S	26	Very low	28.3	Very low	97 Å²	97	145 Å²	145	68%	0.678	75%	0.751	S	S	*	*			cis	80.3	132.6	41.1	81.3	0	0	0	0	114.3
275	S	27.1	Very low	27.8	Very low	109 Å²	109	144.4 Å²	144.4	76%	0.762	75%	0.746	S	S	*	*			trans	68.9	139	179	76.2	0	0	0	0	115.1
276	T	25	Very low	27.5	Very low	122 Å²	122	149.1 Å²	149.1	75%	0.748	76%	0.758	S	S	*	*			cis	-173.3	154.3	-12.1	18	0	0	0	0	107.5
277	V	24.7	Very low	26.8	Very low	117 Å²	117	147.6 Å²	147.6	71%	0.709	75%	0.754	S	S	*	*			trans	59.9	123.3	144.1	170	0	0	0	0	116.6
278	E	24	Very low	26.6	Very low	162 Å²	162	149.6 Å²	149.6	76%	0.757	77%	0.765	S	S	*	*			cis	-158.6	152	16.2	-124.7	158.2	-152.3	0	0	111.2
279	M	28.2	Very low	26.3	Very low	167 Å²	167	149.2 Å²	149.2	82%	0.823	77%	0.771	S	S	*	*			trans	39	88.5	160.5	-55.9	-159.7	-61.5	0	0	121.2
280	E	27.6	Very low	26	Very low	207 Å²	207	149.1 Å²	149.1	97%	0.967	78%	0.775	S	S	*	*			trans	46.8	77.3	138	-59.1	-172.5	164.6	0	0	119.6
281	D	25.6	Very low	25.8	Very low	126 Å²	126	150.4 Å²	150.4	67%	0.674	78%	0.781	S	S	*	*			trans	-118.6	118	161.4	-168	-5.3	0	0	0	110.7
282	Q	29.2	Very low	25.7	Very low	196 Å²	196	152.8 Å²	152.8	92%	0.916	79%	0.79	S	S	*	*			trans	-140	84.7	168.3	-81.1	-163.9	-7	0	0	111.7
283	Q	25.4	Very low	25.6	Very low	154 Å²	154	148.8 Å²	148.8	72%	0.72	79%	0.792	S	S	*	*			trans	-53.2	148.7	142.3	-47.4	166.4	26.3	0	0	107.8
284	V	25.5	Very low	25.1	Very low	129 Å²	129	147.8 Å²	147.8	78%	0.782	80%	0.795	S	S	*	*			cis	-144.7	162.8	22	-147.1	0	0	0	0	104.9
285	I	23.5	Very low	25.1	Very low	131 Å²	131	149.5 Å²	149.5	67%	0.672	80%	0.801	S	S	*	*			cis	-156.7	131.2	41.5	-53.6	164.8	0	0	0	111.4
286	R	23	Very low	24.9	Very low	221 Å²	221	149.8 Å²	149.8	83%	0.834	80%	0.798	S	S	*	*			trans	56.5	118.8	157.9	-70.1	171.4	-171.7	130.3	2.6	121.1
287	S	22.9	Very low	24.9	Very low	102 Å²	102	151.1 Å²	151.1	71%	0.713	80%	0.8	S	S	*	*				77.6	125.9	127	-60.2	0	0	0	0	120.4
288	D	23.1	Very low	25	Very low	159 Å²	159	153.2 Å²	153.2	85%	0.85	81%	0.807	S	S	*	*			trans	-56.9	131	164.8	-39	-98.1	0	0	0	111.5
289	N	24.5	Very low	25.2	Very low	150 Å²	150	149.2 Å²	149.2	80%	0.802	80%	0.796	S	S	*	*			trans	-169.9	123.8	160.5	-95.1	-59.6	0	0	0	110.8	F291	N289-F291 PolarHBondContact O-N 3.35Å
290	D	23.7	Very low	25.1	Very low	160 Å²	160	144.3 Å²	144.3	86%	0.856	77%	0.771	S	S	*	*			trans	-77.2	100.1	177.3	-69.5	-72.6	0	0	0	112.8
291	F	23.5	Very low	25.3	Very low	193 Å²	193	136.7 Å²	136.7	85%	0.846	74%	0.737	S	S	*	*			trans	-147.9	133.6	164.9	-93	-77	0	0	0	114.2	N289	N289-F291 PolarHBondContact O-N 3.35Å
292	P	26.3	Very low	25.9	Very low	127 Å²	127	133.5 Å²	133.5	83%	0.825	72%	0.722	S	S	*	*			trans	-89.5	147.4	177.8	34.9	-34.4	0	0	0	113.4
293	A	25	Very low	26.6	Very low	103 Å²	103	127.6 Å²	127.6	85%	0.851	70%	0.697	S	S	*	*			trans	-112	133.9	-176.3	0	0	0	0	0	114.7
294	L	23.7	Very low	27.5	Very low	172 Å²	172	120.3 Å²	120.3	90%	0.901	66%	0.663	S	S	*	*			trans	-43	135.2	177.3	-66.3	147.1	0	0	0	117.7
295	V	24.9	Very low	28.4	Very low	133 Å²	133	116.1 Å²	116.1	81%	0.806	64%	0.638	S	S	*	*			trans	-143.3	100	146.8	-178.3	0	0	0	0	111
296	T	24	Very low	29.5	Very low	115 Å²	115	113.5 Å²	113.5	71%	0.706	63%	0.625	S	S	*	*			trans	46.2	161.4	150	66.1	0	0	0	0	124.3
297	N	24.9	Very low	31.1	Very low	149 Å²	149	105 Å²	105	80%	0.797	60%	0.599	S	S	*	*			trans	83	75.7	163.6	-55.5	-14.4	0	0	0	119.2
298	N	27	Very low	32	Very low	161 Å²	161	106.3 Å²	106.3	86%	0.861	60%	0.598	S	S	*	*			trans	-79.8	171.6	141.8	-98.6	-26.4	0	0	0	109.7
299	P	27.1	Very low	33	Very low	78 Å²	78	104.8 Å²	104.8	51%	0.506	58%	0.581	S	S	.	*			cis	-114.9	-176.5	5	39.7	-27.4	0	0	0	113.5
300	M	26.1	Very low	33.9	Very low	64 Å²	64	99.2 Å²	99.2	32%	0.315	55%	0.552	S	S	.	*			trans	155.7	144.3	132	-83.8	-177.5	-179.1	0	0	113	Y166 A178 V181 T302	Y166-M300 HydrophobicContact CE1-SD 4.33Å; A178-M300 HydrophobicContact CB-CE 4.31Å; A178-M300 WeakPolarHBondContact O-CE 3.41Å; V181-M300 HydrophobicContact CB-CE 3.77Å; V181-M300 HydrophobicContact CB-SD 4.13Å; V181-M300 HydrophobicContact CG1-CE 3.79Å; V181-M300 HydrophobicContact CG1-CG 4.02Å; V181-M300 HydrophobicContact CG1-SD 3.63Å; M300-T302 PolarHBondContact O-N 2.88Å
301	I	31.4	Very low	34.4	Very low	47 Å²	47	94.6 Å²	94.6	24%	0.241	53%	0.525	C	S	.	.			trans	-13.4	104.3	167.2	-49.3	179	0	0	0	114.9	V181 V185 D303 F311	V181-I301 HydrophobicContact CG1-CD1 3.84Å; V181-I301 HydrophobicContact CG1-CG1 4.34Å; V185-I301 HydrophobicContact CG2-CD1 3.84Å; V185-I301 HydrophobicContact CG2-CG1 3.47Å; V185-I301 VanDerWaalsContact CG2-CG1 3.47Å; I301-D303 WeakPolarHBondContact CG2-O 3.27Å; I301-F311 HydrophobicContact CB-CE2 4.2Å; I301-F311 HydrophobicContact CG2-CD2 4.26Å; I301-F311 HydrophobicContact CG2-CE2 3.75Å; I301-F311 WeakPolarHBondContact O-CD2 3.2Å
302	T	38.9	Very low	35	Very low	59 Å²	59	89 Å²	89	36%	0.362	51%	0.506	S	S	.	.	S	Bend	trans	-68.5	-43.5	174.7	41.1	0	0	0	0	112.5	M300 T310 F311 N647	M300-T302 PolarHBondContact O-N 2.88Å; T302-T310 CarbonylContact O-C 3.52Å; T302-T310 WeakPolarHBondContact O-CA 3.47Å; T302-T310 WeakPolarHBondContact O-CB 2.83Å; T302-T310 WeakPolarHBondContact O-CG2 3.37Å; T302-F311 PolarHBondContact O-N 3.4Å; T302-N647 PolarHBondContact OG1-OD1 2.87Å
303	D	43.9	Very low	35.1	Very low	72 Å²	72	85.1 Å²	85.1	39%	0.385	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.6	-175.8	-81.6	-67.6	0	0	0	113.4	I301 P305 T310	I301-D303 WeakPolarHBondContact CG2-O 3.27Å; D303-P305 WeakPolarHBondContact O-CD 3.25Å; D303-T310 VanDerWaalsContact OD1-CA 3.28Å; D303-T310 WeakPolarHBondContact OD1-CA 3.5Å; D303-T310 WeakPolarHBondContact OD1-CG2 3.41Å; D303-T310 PolarHBondContact OD1-N 3.08Å
304	C	45.1	Very low	35.1	Very low	2 Å²	2	91.4 Å²	91.4	1%	0.014	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	119.7	179.8	174.5	0	0	0	0	111.3	C168 L306 C307 D308 R309 F311	C168-C304 PolarHBondContact SG-SG 3.1Å; C304-L306 PolarHBondContact O-N 3.42Å; C304-C307 PolarHBondContact O-N 2.98Å; C304-C307 VanDerWaalsContact O-N 3.07Å; C304-D308 PolarHBondContact O-N 3.21Å; C304-R309 WeakPolarHBondContact CB-O 3.45Å; C304-R309 PolarHBondContact N-O 3.18Å; C304-F311 HydrophobicContact CB-CD2 4.31Å; C304-F311 HydrophobicContact CB-CE2 4.02Å; C304-F311 HydrophobicContact CB-CZ 4.43Å
305	P	43.9	Very low	35.2	Very low	40 Å²	40	92.7 Å²	92.7	26%	0.26	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-2.3	-173.4	29	-37.8	0	0	0	115.1	F175 D303 Y1058	F175-P305 HydrophobicContact CE1-CG 3.92Å; F175-P305 HydrophobicContact CZ-CG 4.15Å; D303-P305 WeakPolarHBondContact O-CD 3.25Å; P305-Y1058 WeakPolarHBondContact CG-OH 3.27Å
306	L	46.8	Very low	35.3	Very low	76 Å²	76	91.7 Å²	91.7	40%	0.398	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-11.9	175.9	-82.7	167.3	0	0	0	114.1	F173 C304 Y1058	F173-L306 HydrophobicContact CB-CD1 3.71Å; F173-L306 HydrophobicContact CD1-CD1 3.72Å; F173-L306 HydrophobicContact CD2-CD1 3.32Å; F173-L306 HydrophobicContact CE1-CD1 4.09Å; F173-L306 HydrophobicContact CE2-CD1 3.72Å; F173-L306 HydrophobicContact CG-CD1 3.3Å; F173-L306 HydrophobicContact CZ-CD1 4.09Å; C304-L306 PolarHBondContact O-N 3.42Å; L306-Y1058 HydrophobicContact CD1-CD1 4.11Å; L306-Y1058 HydrophobicContact CD1-CE1 3.93Å; L306-Y1058 HydrophobicContact CD2-CD1 3.62Å; L306-Y1058 HydrophobicContact CD2-CE1 3.99Å; L306-Y1058 HydrophobicContact CD2-CG 4.49Å; L306-Y1058 HydrophobicContact CG-CD1 3.89Å; L306-Y1058 HydrophobicContact CG-CE1 3.71Å
307	C	56.2	Low	35.3	Very low	42 Å²	42	93.1 Å²	93.1	28%	0.284	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.8	6.2	-174	65.1	0	0	0	0	116.4	C171 C304 R309	C171-C307 HydrophobicContact CB-CB 4.5Å; C304-C307 PolarHBondContact O-N 2.98Å; C304-C307 VanDerWaalsContact O-N 3.07Å; C307-R309 WeakPolarHBondContact O-CG 3.28Å; C307-R309 PolarHBondContact O-N 2.86Å
308	D	41.9	Very low	35.3	Very low	131 Å²	131	93.3 Å²	93.3	70%	0.701	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	44.1	-179.1	-62	-15.7	0	0	0	113.1	C304	C304-D308 PolarHBondContact O-N 3.21Å
309	R	43.8	Very low	35.2	Very low	127 Å²	127	92.9 Å²	92.9	48%	0.479	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	133	176.7	-68.7	177.9	-176.5	-148.8	1.4	111	F170 C304 C307 F311	F170-R309 HydrophobicContact CB-CB 4.49Å; F170-R309 HydrophobicContact CD2-CB 3.49Å; F170-R309 VanDerWaalsContact CD2-CB 3.49Å; F170-R309 HydrophobicContact CD2-CG 4.25Å; F170-R309 HydrophobicContact CE2-CB 3.86Å; F170-R309 HydrophobicContact CG-CB 4.1Å; F170-R309 HydrophobicContact CG-CG 4.47Å; C304-R309 WeakPolarHBondContact CB-O 3.45Å; C304-R309 PolarHBondContact N-O 3.18Å; C307-R309 WeakPolarHBondContact O-CG 3.28Å; C307-R309 PolarHBondContact O-N 2.86Å; R309-F311 PolarHBondContact O-N 3.15Å
310	T	43.2	Very low	35.1	Very low	33 Å²	33	97.8 Å²	97.8	20%	0.202	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	137	-178.7	52.2	0	0	0	0	112.7	T302 D303 V312 K649	T302-T310 CarbonylContact O-C 3.52Å; T302-T310 WeakPolarHBondContact O-CA 3.47Å; T302-T310 WeakPolarHBondContact O-CB 2.83Å; T302-T310 WeakPolarHBondContact O-CG2 3.37Å; D303-T310 VanDerWaalsContact OD1-CA 3.28Å; D303-T310 WeakPolarHBondContact OD1-CA 3.5Å; D303-T310 WeakPolarHBondContact OD1-CG2 3.41Å; D303-T310 PolarHBondContact OD1-N 3.08Å; T310-V312 PolarHBondContact O-N 3.32Å; T310-K649 HydrophobicContact CG2-CD 4.3Å; T310-K649 PolarHBondContact OG1-NZ 3.34Å
311	F	35.1	Very low	35	Very low	63 Å²	63	102.4 Å²	102.4	28%	0.276	52%	0.523	S	S	.	.			trans	-57.2	108.9	176.1	-86.6	-93.2	0	0	0	110.9	F175 I301 T302 C304 R309 G313	F175-F311 AromaticContact CD2-CE1 3.84Å; F175-F311 HydrophobicContact CD2-CE1 3.84Å; F175-F311 AromaticContact CD2-CZ 3.64Å; F175-F311 HydrophobicContact CD2-CZ 3.64Å; F175-F311 AromaticContact CE2-CE1 3.78Å; F175-F311 HydrophobicContact CE2-CE1 3.78Å; F175-F311 HydrophobicContact CE2-CE2 4.45Å; F175-F311 AromaticContact CE2-CZ 3.36Å; F175-F311 HydrophobicContact CE2-CZ 3.36Å; F175-F311 HydrophobicContact CG-CZ 4.34Å; F175-F311 AromaticContact CZ-CZ 3.86Å; F175-F311 HydrophobicContact CZ-CZ 3.86Å; I301-F311 HydrophobicContact CB-CE2 4.2Å; I301-F311 HydrophobicContact CG2-CD2 4.26Å; I301-F311 HydrophobicContact CG2-CE2 3.75Å; I301-F311 WeakPolarHBondContact O-CD2 3.2Å; T302-F311 PolarHBondContact O-N 3.4Å; C304-F311 HydrophobicContact CB-CD2 4.31Å; C304-F311 HydrophobicContact CB-CE2 4.02Å; C304-F311 HydrophobicContact CB-CZ 4.43Å; R309-F311 PolarHBondContact O-N 3.15Å; F311-G313 VanDerWaalsContact C-N 3.29Å; F311-G313 PolarHBondContact O-N 3.49Å; F311-G313 VanDerWaalsContact O-N 3.1Å
312	V	35.6	Very low	34.6	Very low	75 Å²	75	108 Å²	108	46%	0.455	55%	0.553	S	S	.	*			trans	-84.9	79.1	169.8	-177.1	0	0	0	0	108.2	F170 T310 R314	F170-V312 HydrophobicContact CE2-CG2 3.72Å; F170-V312 HydrophobicContact CZ-CG2 4.09Å; T310-V312 PolarHBondContact O-N 3.32Å; V312-R314 PolarHBondContact O-N 3.18Å
313	G	28.8	Very low	34.1	Very low	46 Å²	46	115.2 Å²	115.2	47%	0.474	58%	0.58	S	S	.	*			trans	-58.6	133.3	173.2	0	0	0	0	0	111.2	F311 R315	F311-G313 VanDerWaalsContact C-N 3.29Å; F311-G313 PolarHBondContact O-N 3.49Å; F311-G313 VanDerWaalsContact O-N 3.1Å; G313-R315 PolarHBondContact O-N 2.65Å
314	R	25	Very low	33.2	Very low	234 Å²	234	117.9 Å²	117.9	88%	0.883	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	29.3	-174	-67.7	-178.4	173.7	164.4	-0.9	114.9	V312	V312-R314 PolarHBondContact O-N 3.18Å
315	R	25.9	Very low	32.4	Very low	200 Å²	200	126.4 Å²	126.4	76%	0.755	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.9	-7.4	-176	-70.2	-169.5	174.7	-150.6	-3.6	116.3	G313	G313-R315 PolarHBondContact O-N 2.65Å
316	S	26	Very low	31.6	Very low	111 Å²	111	129.3 Å²	129.3	78%	0.776	66%	0.66	S	S	*	*	S	Bend	trans	-105.2	3.8	-178.3	-46.6	0	0	0	0	114.7	N318	S316-N318 PolarHBondContact O-N 3.41Å
317	L	24.8	Very low	30.5	Very low	145 Å²	145	133.9 Å²	133.9	76%	0.759	68%	0.682	S	S	*	*			trans	-97.1	57.2	-170.6	-131.9	173.1	0	0	0	112.2
318	N	24.7	Very low	29.2	Very low	153 Å²	153	140.3 Å²	140.3	82%	0.818	71%	0.706	S	S	*	*			trans	-139.7	15.9	-179.9	-145.5	9.5	0	0	0	115.1	S316	S316-N318 PolarHBondContact O-N 3.41Å
319	I	25.1	Very low	28.4	Very low	153 Å²	153	141 Å²	141	79%	0.785	71%	0.705	S	S	*	*	S	Bend	trans	-135.4	62.8	178.3	-44.3	178.1	0	0	0	110.8
320	H	25.1	Very low	27.6	Very low	181 Å²	181	143.1 Å²	143.1	84%	0.838	73%	0.725	S	S	*	*			trans	177.5	70	150.9	-104.9	77.8	0	0	0	112.6
321	L	23.7	Very low	26.8	Very low	161 Å²	161	145.2 Å²	145.2	84%	0.843	75%	0.754	S	S	*	*			trans	-142	65.6	168.9	-79.9	-179.7	0	0	0	112
322	N	24.3	Very low	26.4	Very low	164 Å²	164	147 Å²	147	88%	0.877	78%	0.775	S	S	*	*			trans	-174.1	87.7	154.9	-101.4	-25.6	0	0	0	112.5
323	K	27.7	Very low	26	Very low	210 Å²	210	149.7 Å²	149.7	91%	0.913	79%	0.786	S	S	*	*			trans	-171.1	73.4	150.5	-111.6	170.8	-176	178.4	0	112.1
324	T	23.7	Very low	25.9	Very low	129 Å²	129	153 Å²	153	79%	0.791	79%	0.792	S	S	*	*			trans	-133.5	99.8	164.4	50.3	0	0	0	0	109.3
325	H	28.2	Very low	26	Very low	181 Å²	181	147.1 Å²	147.1	84%	0.838	78%	0.778	S	S	*	*			trans	-166.1	141.2	144.7	-113.1	-70.5	0	0	0	113
326	S	28.5	Very low	26.1	Very low	101 Å²	101	143.3 Å²	143.3	71%	0.706	77%	0.772	S	S	*	*			trans	52	99.5	149.8	-52.9	0	0	0	0	119.3
327	I	23.7	Very low	26.3	Very low	171 Å²	171	143 Å²	143	88%	0.877	77%	0.771	S	S	*	*			trans	-69	124	148.6	-63.6	167.8	0	0	0	108.1
328	K	28.1	Very low	26.6	Very low	178 Å²	178	141.2 Å²	141.2	77%	0.774	77%	0.765	S	S	*	*			trans	-149.2	114.7	151.2	-94.8	-151.2	166.9	-144.2	0	110.5
329	E	26	Very low	27	Very low	145 Å²	145	141.7 Å²	141.7	68%	0.678	77%	0.768	S	S	*	*			trans	34.9	113.3	138.3	-64.6	154.1	159	0	0	119.2
330	N	26.3	Very low	27.2	Very low	171 Å²	171	139.2 Å²	139.2	91%	0.914	77%	0.765	S	S	*	*			trans	47	116.9	136.5	-53	-6	0	0	0	120.2
331	G	26.8	Very low	27.5	Very low	78 Å²	78	137.4 Å²	137.4	80%	0.804	76%	0.761	S	S	*	*			trans	168.5	151	165.3	0	0	0	0	0	111.8
332	S	27	Very low	27.8	Very low	101 Å²	101	134.7 Å²	134.7	71%	0.706	76%	0.755	S	S	*	*			trans	-123.8	143.4	-173	-63.2	0	0	0	0	112.8
333	N	26.3	Very low	27.9	Very low	131 Å²	131	134 Å²	134	70%	0.701	75%	0.75	S	S	*	*			trans	73.7	126.5	149.6	-76	-5.2	0	0	0	122.7
334	I	26.5	Very low	28.1	Very low	115 Å²	115	130.6 Å²	130.6	59%	0.59	74%	0.742	S	S	*	*				83.5	101	129.8	-63.6	170.8	0	0	0	120.4	Q357	I334-Q357 PolarHBondContact O-NE2 3.42Å; I334-Q357 VanDerWaalsContact O-NE2 3.11Å
335	N	27.4	Very low	28.4	Very low	111 Å²	111	131.6 Å²	131.6	59%	0.594	74%	0.743	S	S	*	*			trans	66.7	109.3	132.4	-57.6	-2	0	0	0	124.5	Q357	N335-Q357 PolarHBondContact O-NE2 2.85Å; N335-Q357 PolarHBondContact O-OE1 2.94Å
336	N	27.6	Very low	28.5	Very low	119 Å²	119	128.4 Å²	128.4	64%	0.636	74%	0.738	S	S	*	*				89.1	126.3	123.2	-73.5	-7.5	0	0	0	125.3
337	S	31.2	Very low	28.5	Very low	106 Å²	106	126.8 Å²	126.8	74%	0.741	74%	0.737	S	S	*	*			trans	70.5	159.8	149	40.1	0	0	0	0	120.7
338	T	31.4	Very low	28.5	Very low	106 Å²	106	124.1 Å²	124.1	65%	0.65	73%	0.733	S	S	*	*			trans	-133.9	136.7	-159.9	51.3	0	0	0	0	115.1
339	N	31.6	Very low	28.4	Very low	164 Å²	164	121.3 Å²	121.3	88%	0.877	73%	0.731	S	S	*	*			trans	41.4	135.3	147.4	-79.2	7.8	0	0	0	122.9
340	S	30.2	Very low	28.5	Very low	101 Å²	101	119.6 Å²	119.6	71%	0.706	73%	0.73	S	S	*	*				-149	144.9	122.4	58.2	0	0	0	0	112.9
341	N	32	Very low	28.5	Very low	143 Å²	143	117.8 Å²	117.8	77%	0.765	72%	0.721	S	S	*	*			trans	71.7	105.4	154.3	-57.6	-11.2	0	0	0	122.9
342	S	29	Very low	28.5	Very low	103 Å²	103	120.6 Å²	120.6	72%	0.72	72%	0.717	S	S	*	*				91.4	127.9	115	-70.8	0	0	0	0	124.5
343	I	27.4	Very low	28.5	Very low	149 Å²	149	121.1 Å²	121.1	76%	0.764	72%	0.716	S	S	*	*			trans	95.6	128.4	135.5	-71.2	165.5	0	0	0	120.5
344	D	32	Very low	28.7	Very low	139 Å²	139	122 Å²	122	74%	0.743	72%	0.721	S	S	*	*			trans	50.1	105.8	159.4	-59.5	-12.6	0	0	0	125.2
345	N	29	Very low	28.9	Very low	151 Å²	151	121.1 Å²	121.1	81%	0.807	73%	0.731	S	S	*	*				46.5	152.5	101.1	-115.9	4.3	0	0	0	121.3
346	P	31.7	Very low	29	Very low	114 Å²	114	123.5 Å²	123.5	74%	0.74	74%	0.739	S	S	*	*				-130.6	162.9	-83.7	39.7	-26.1	0	0	0	114.3
347	G	27.2	Very low	29.2	Very low	66 Å²	66	122.5 Å²	122.5	68%	0.68	73%	0.73	S	S	*	*			trans	147.3	112.7	150.8	0	0	0	0	0	119.8
348	S	23.8	Very low	29	Very low	116 Å²	116	123.1 Å²	123.1	81%	0.811	73%	0.725	S	S	*	*			trans	70.1	166.9	146.4	82.5	0	0	0	0	120.5
349	V	26.5	Very low	29	Very low	118 Å²	118	125.7 Å²	125.7	72%	0.715	73%	0.727	S	S	*	*			trans	64.9	90.6	158.4	-178.9	0	0	0	0	118.2
350	T	26.8	Very low	28.8	Very low	109 Å²	109	124 Å²	124	67%	0.669	72%	0.723	S	S	*	*			trans	59.5	135.7	134.9	66.6	0	0	0	0	123
351	N	26.9	Very low	28.7	Very low	134 Å²	134	125.6 Å²	125.6	72%	0.717	72%	0.723	S	S	*	*			trans	77.4	117.1	138.8	-65	-0.7	0	0	0	120.8
352	N	26.4	Very low	28.5	Very low	136 Å²	136	123.4 Å²	123.4	73%	0.727	72%	0.719	S	S	*	*			trans	93.4	137.3	135.6	-62.8	-2.7	0	0	0	121.1
353	T	28.7	Very low	28.3	Very low	112 Å²	112	124.5 Å²	124.5	69%	0.687	72%	0.721	S	S	*	*			trans	67.1	96.3	147	47.6	0	0	0	0	120.5
354	D	28.7	Very low	28.5	Very low	149 Å²	149	122.6 Å²	122.6	80%	0.797	72%	0.721	S	S	*	*				92.9	146.9	119.6	-53.8	-20.8	0	0	0	122.3
355	A	31.9	Very low	28.2	Very low	98 Å²	98	124.3 Å²	124.3	81%	0.81	72%	0.722	S	S	*	*			trans	70.1	106.9	164.5	0	0	0	0	0	120.8
356	E	29.9	Very low	28.1	Very low	160 Å²	160	123.5 Å²	123.5	75%	0.748	72%	0.717	S	S	*	*			trans	-17.7	151	151	-52.5	177.9	110.6	0	0	118.1
357	Q	30.7	Very low	27.8	Very low	99 Å²	99	123.1 Å²	123.1	46%	0.463	71%	0.713	S	S	.	*				-155.6	152.7	51.6	-82.8	-168.5	43.9	0	0	116.8	I334 N335	I334-Q357 PolarHBondContact O-NE2 3.42Å; I334-Q357 VanDerWaalsContact O-NE2 3.11Å; N335-Q357 PolarHBondContact O-NE2 2.85Å; N335-Q357 PolarHBondContact O-OE1 2.94Å
358	L	27.2	Very low	27.8	Very low	118 Å²	118	130 Å²	130	62%	0.618	72%	0.718	S	S	*	*			trans	24.7	128	137.2	-63.7	164.5	0	0	0	119.1
359	K	30.4	Very low	28	Very low	161 Å²	161	130.9 Å²	130.9	70%	0.7	71%	0.713	S	S	*	*				-168.6	166	53.9	-121.7	155.9	-168.3	174.1	0	112.7
360	T	28.1	Very low	28.1	Very low	129 Å²	129	130.2 Å²	130.2	79%	0.791	71%	0.709	S	S	*	*			trans	-137.4	174.4	177.7	67.5	0	0	0	0	110.5
361	N	27.6	Very low	28.1	Very low	134 Å²	134	132.3 Å²	132.3	72%	0.717	71%	0.709	S	S	*	*			cis	-157.5	170	11.3	-151.1	-17	0	0	0	113.3
362	S	27.8	Very low	28.4	Very low	97 Å²	97	130.5 Å²	130.5	68%	0.678	71%	0.713	S	S	*	*			trans	52.7	113.5	147.8	63.4	0	0	0	0	121.5
363	V	25.4	Very low	28.4	Very low	125 Å²	125	133.6 Å²	133.6	76%	0.758	71%	0.714	S	S	*	*			trans	-142.7	118.1	157.7	179.1	0	0	0	0	111.3
364	S	31.2	Very low	28.4	Very low	109 Å²	109	133.5 Å²	133.5	76%	0.762	72%	0.719	S	S	*	*			trans	179.3	142	141.3	-82.2	0	0	0	0	110.2
365	K	26.9	Very low	28.5	Very low	175 Å²	175	132.9 Å²	132.9	76%	0.761	72%	0.715	S	S	*	*			cis	74.9	136.4	39.7	-70.7	-174.1	177.5	177.4	0	112.7
366	L	25.6	Very low	28.3	Very low	135 Å²	135	138.4 Å²	138.4	71%	0.707	72%	0.715	S	S	*	*			cis	-170	168.1	-8.6	-169.6	69.9	0	0	0	108.7
367	T	26.7	Very low	28.1	Very low	106 Å²	106	134.4 Å²	134.4	65%	0.65	72%	0.716	S	S	*	*			trans	65.9	152.5	149.4	34.5	0	0	0	0	120
368	R	27.3	Very low	28.1	Very low	209 Å²	209	138.4 Å²	138.4	79%	0.789	74%	0.74	S	S	*	*			cis	-175.7	157.4	-24.4	-123.1	-173.5	-168.7	173	0.4	110
369	L	28	Very low	28	Very low	136 Å²	136	136.5 Å²	136.5	71%	0.712	75%	0.749	S	S	*	*			trans	64	160.3	147.1	-64.5	178.4	0	0	0	120
370	T	28.1	Very low	28	Very low	104 Å²	104	131.9 Å²	131.9	64%	0.638	75%	0.747	S	S	*	*				-175	170	-50.4	30.5	0	0	0	0	110.9
371	F	26.7	Very low	28	Very low	152 Å²	152	129.1 Å²	129.1	67%	0.667	73%	0.727	S	S	*	*			trans	79	107.4	141.8	-105	-71	0	0	0	120.9	R373	F371-R373 HydrophobicContact CD1-CG 4.12Å; F371-R373 HydrophobicContact CE1-CG 3.98Å
372	A	33.2	Very low	28.2	Very low	96 Å²	96	130.7 Å²	130.7	79%	0.793	73%	0.728	S	S	*	*				-166.9	109.6	120.8	0	0	0	0	0	107.8
373	R	26.1	Very low	28.1	Very low	201 Å²	201	130.7 Å²	130.7	76%	0.758	72%	0.72	S	S	*	*				76.9	126.7	75.6	-97.8	-171.3	176	112.3	1.8	115.7	F371	F371-R373 HydrophobicContact CD1-CG 4.12Å; F371-R373 HydrophobicContact CE1-CG 3.98Å
374	S	27.9	Very low	28.2	Very low	111 Å²	111	130.5 Å²	130.5	78%	0.776	72%	0.723	S	S	*	*			trans	-59.4	150.4	-175.1	-28.1	0	0	0	0	115.2
375	L	31.6	Very low	28	Very low	136 Å²	136	132.5 Å²	132.5	71%	0.712	73%	0.725	S	S	*	*			trans	-148.5	140.8	141.8	-82.7	-168.8	0	0	0	112
376	R	28.6	Very low	28.1	Very low	214 Å²	214	130.9 Å²	130.9	81%	0.808	72%	0.723	S	S	*	*			trans	32	124	146.4	-70.6	172.9	-96.4	-122	-2.6	119.4
377	G	24.7	Very low	28.2	Very low	76 Å²	76	131.3 Å²	131.3	78%	0.784	73%	0.726	S	S	*	*			trans	-74	154.6	165.3	0	0	0	0	0	113.4
378	L	31	Very low	28.5	Very low	182 Å²	182	131.8 Å²	131.8	95%	0.953	73%	0.725	S	S	*	*			trans	-157.6	153.6	165.7	-104.2	166.2	0	0	0	107.6
379	G	26.2	Very low	28.7	Very low	79 Å²	79	127 Å²	127	81%	0.814	72%	0.715	S	S	*	*			trans	-90.8	137.9	-174.3	0	0	0	0	0	114.8
380	G	30	Very low	29	Very low	63 Å²	63	126.4 Å²	126.4	65%	0.649	71%	0.712	S	S	*	*			trans	179.2	126	170.6	0	0	0	0	0	108.1
381	N	26.7	Very low	29.2	Very low	71 Å²	71	127.9 Å²	127.9	38%	0.38	72%	0.716	S	S	.	*			cis	69.8	92.5	48.6	-124.6	83.9	0	0	0	113	T1190 K1191	N381-T1190 PolarHBondContact ND2-O 3.2Å; N381-T1190 PolarHBondContact OD1-O 2.91Å; N381-K1191 WeakPolarHBondContact OD1-CA 3.46Å; N381-K1191 WeakPolarHBondContact OD1-CB 3.29Å; N381-K1191 WeakPolarHBondContact OD1-CE 3.45Å
382	K	32.8	Very low	29.4	Very low	168 Å²	168	127 Å²	127	73%	0.73	72%	0.718	S	S	*	*			trans	163.7	116.1	132	-85.8	152.9	-168.9	177.6	0	112.6	K1191	K382-K1191 VanDerWaalsContact C-OXT 3.26Å; K382-K1191 WeakPolarHBondContact CA-OXT 3.29Å; K382-K1191 PolarHBondContact N-OXT 3.11Å
383	N	25.9	Very low	29.3	Very low	96 Å²	96	130.5 Å²	130.5	51%	0.513	72%	0.724	S	S	.	*			trans	-45.3	149.4	147.3	-71.4	-16.5	0	0	0	112.3	T1190 K1191	N383-T1190 HydrophobicContact CB-CG2 4.01Å; N383-K1191 PolarHBondContact N-OXT 2.62Å; N383-K1191 PolarHBondContact OD1-O 3.31Å
384	C	28	Very low	29.5	Very low	121 Å²	121	130 Å²	130	82%	0.818	73%	0.727	S	S	*	*			trans	-150.5	93.1	153.2	-96.3	0	0	0	0	110.4
385	D	26.2	Very low	29.6	Very low	152 Å²	152	130.6 Å²	130.6	81%	0.813	73%	0.726	S	S	*	*			trans	-87.8	117.3	163.5	-77.2	-56.1	0	0	0	110
386	I	29.3	Very low	29.6	Very low	141 Å²	141	129.6 Å²	129.6	72%	0.723	73%	0.726	S	S	*	*			trans	-141.9	101	163.4	-53.2	179.6	0	0	0	104.7
387	N	28.3	Very low	29.4	Very low	143 Å²	143	125.3 Å²	125.3	77%	0.765	72%	0.719	S	S	*	*				71.8	160.6	56.5	-158.9	18.3	0	0	0	112.9
388	N	31.1	Very low	29.6	Very low	116 Å²	116	129 Å²	129	62%	0.62	72%	0.716	S	S	*	*			trans	85	137.2	-171.4	-57.1	-15.5	0	0	0	114.9
389	N	32.7	Very low	29.3	Very low	110 Å²	110	126.1 Å²	126.1	59%	0.588	71%	0.706	S	S	*	*			cis	-163.6	147.5	-11.5	-112	-14.8	0	0	0	111.7
390	N	33.2	Very low	29.6	Very low	123 Å²	123	129.5 Å²	129.5	66%	0.658	71%	0.711	S	S	*	*			trans	61.6	151	135.9	-60	-3.5	0	0	0	120.2
391	N	32.8	Very low	29.5	Very low	134 Å²	134	136.1 Å²	136.1	72%	0.717	72%	0.722	S	S	*	*			cis	-149.1	156.5	-2.6	-121.7	3.1	0	0	0	110.9
392	D	30.8	Very low	29.6	Very low	133 Å²	133	138.5 Å²	138.5	71%	0.711	74%	0.744	S	S	*	*			trans	-64.8	157.8	170.2	-53.9	-96.6	0	0	0	112.9
393	N	31.9	Very low	29.5	Very low	170 Å²	170	137.2 Å²	137.2	91%	0.909	75%	0.751	S	S	*	*				-161	156	106.9	-103.1	-61.6	0	0	0	113
394	K	30.1	Very low	29.8	Very low	192 Å²	192	138.6 Å²	138.6	84%	0.835	77%	0.768	S	S	*	*			trans	-146.3	115.5	-161.5	170.9	-163.1	171.6	-173.5	0	111.7
395	T	30.5	Very low	29.9	Very low	123 Å²	123	139.9 Å²	139.9	76%	0.755	76%	0.762	S	S	*	*			trans	-156.1	119.5	168.3	28.5	0	0	0	0	107.4
396	T	30	Very low	30.1	Very low	115 Å²	115	140.7 Å²	140.7	71%	0.706	76%	0.758	S	S	*	*				53.9	131.7	88.8	65.7	0	0	0	0	113.5
397	N	24.7	Very low	30.1	Very low	123 Å²	123	138.9 Å²	138.9	66%	0.658	76%	0.758	S	S	*	*			cis	-162.2	-174.2	-2.7	-130	27.1	0	0	0	109.5
398	E	28.7	Very low	30	Very low	153 Å²	153	140.6 Å²	140.6	72%	0.715	77%	0.766	S	S	*	*			trans	61.8	120.6	149	-80.4	146.4	-118.1	0	0	121.3
399	T	26.6	Very low	29.9	Very low	123 Å²	123	140.1 Å²	140.1	76%	0.755	77%	0.771	S	S	*	*			trans	30	116.5	143.1	50.5	0	0	0	0	120.2
400	T	30.7	Very low	29.6	Very low	149 Å²	149	141.3 Å²	141.3	91%	0.914	77%	0.771	S	S	*	*				-161.2	171	102.4	13.6	0	0	0	0	112.9
401	K	28.3	Very low	29.3	Very low	203 Å²	203	142.6 Å²	142.6	88%	0.883	78%	0.776	S	S	*	*			trans	-81.5	136	-178.9	-50.7	158	-178.8	170	0	110.6
402	S	30.1	Very low	29	Very low	121 Å²	121	141.8 Å²	141.8	85%	0.846	78%	0.776	S	S	*	*			trans	-167.9	135.5	136.1	54.2	0	0	0	0	112.5
403	T	29.6	Very low	28.8	Very low	141 Å²	141	141.2 Å²	141.2	87%	0.865	78%	0.777	S	S	*	*			trans	-79.6	138.7	177.3	45.2	0	0	0	0	113.7
404	S	32.9	Very low	28.5	Very low	125 Å²	125	142.6 Å²	142.6	87%	0.874	77%	0.769	S	S	*	*			trans	-161.8	159.7	142.9	58.1	0	0	0	0	110.6
405	E	30.3	Very low	28.5	Very low	148 Å²	148	138.5 Å²	138.5	69%	0.692	76%	0.762	S	S	*	*			trans	-105.1	163.4	-166	-63.5	-168.9	102.3	0	0	115.5
406	K	29.9	Very low	28.5	Very low	168 Å²	168	138.1 Å²	138.1	73%	0.73	76%	0.762	S	S	*	*			trans	56.6	99.6	145.6	-69.1	152.3	-171.9	159.5	0	118.8
407	S	29.5	Very low	28.3	Very low	104 Å²	104	139.4 Å²	139.4	73%	0.727	76%	0.763	S	S	*	*				-143.4	120.8	123.2	63.7	0	0	0	0	111.1	C409	S407-C409 VanDerWaalsContact C-N 3.29Å; S407-C409 PolarHBondContact O-N 3.48Å; S407-C409 VanDerWaalsContact O-N 3.12Å
408	L	26.4	Very low	28.6	Very low	178 Å²	178	140.4 Å²	140.4	93%	0.932	77%	0.768	S	S	*	*			trans	-87.4	67.5	178	-82.7	170.6	0	0	0	110.8	K410	L408-K410 PolarHBondContact O-N 2.89Å; L408-K410 VanDerWaalsContact O-N 3.1Å
409	C	28.3	Very low	28.7	Very low	106 Å²	106	138.6 Å²	138.6	72%	0.716	77%	0.769	S	S	*	*			trans	-66.9	105.8	171.4	-76.4	0	0	0	0	110.5	S407 I411	S407-C409 VanDerWaalsContact C-N 3.29Å; S407-C409 PolarHBondContact O-N 3.48Å; S407-C409 VanDerWaalsContact O-N 3.12Å; C409-I411 PolarHBondContact O-N 3.41Å
410	K	27.4	Very low	28.8	Very low	135 Å²	135	143.9 Å²	143.9	59%	0.587	78%	0.775	S	S	*	*			trans	-63.5	99.6	176.3	-70.7	167.8	169.8	172.7	0	111	L408 V412 S679	L408-K410 PolarHBondContact O-N 2.89Å; L408-K410 VanDerWaalsContact O-N 3.1Å; K410-V412 HydrophobicContact CB-CG2 4.32Å; K410-V412 PolarHBondContact O-N 3.2Å; K410-S679 WeakPolarHBondContact CE-O 3.46Å; K410-S679 PolarHBondContact NZ-O 3.35Å
411	I	26.1	Very low	28.8	Very low	150 Å²	150	142.7 Å²	142.7	77%	0.769	77%	0.77	S	S	*	*			trans	-73	95.3	162.8	-57.5	-178.4	0	0	0	107.6	C409 V413	C409-I411 PolarHBondContact O-N 3.41Å; I411-V413 VanDerWaalsContact C-N 3.29Å; I411-V413 HydrophobicContact CG2-CG2 3.91Å; I411-V413 PolarHBondContact O-N 3.34Å
412	V	26	Very low	28.9	Very low	117 Å²	117	138.2 Å²	138.2	71%	0.709	77%	0.765	S	S	*	*			trans	-74.7	84.9	174.9	-178	0	0	0	0	108.7	K410 R414	K410-V412 HydrophobicContact CB-CG2 4.32Å; K410-V412 PolarHBondContact O-N 3.2Å; V412-R414 VanDerWaalsContact C-N 3.32Å; V412-R414 PolarHBondContact O-N 3.03Å
413	V	26.4	Very low	28.9	Very low	122 Å²	122	144.3 Å²	144.3	74%	0.739	77%	0.769	S	S	*	*			trans	-67.8	92.8	170.3	-175.3	0	0	0	0	108.3	I411 P415	I411-V413 VanDerWaalsContact C-N 3.29Å; I411-V413 HydrophobicContact CG2-CG2 3.91Å; I411-V413 PolarHBondContact O-N 3.34Å; V413-P415 WeakPolarHBondContact O-CD 3.39Å
414	R	26.1	Very low	28.9	Very low	199 Å²	199	146 Å²	146	75%	0.751	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-61.1	123.7	169.2	-85.6	179.9	167.1	166.8	-4.2	108.8	V412	V412-R414 VanDerWaalsContact C-N 3.32Å; V412-R414 PolarHBondContact O-N 3.03Å
415	P	29.4	Very low	28.6	Very low	105 Å²	105	146.1 Å²	146.1	68%	0.682	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-63	148.8	158.6	29.3	-33.4	0	0	0	108.9	V413 I417	V413-P415 WeakPolarHBondContact O-CD 3.39Å; P415-I417 PolarHBondContact O-N 2.87Å
416	P	30.1	Very low	28.7	Very low	115 Å²	115	146.8 Å²	146.8	75%	0.747	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-63.3	134	-172.7	24.3	-33.8	0	0	0	112.1	L418	P416-L418 PolarHBondContact O-N 3.39Å
417	I	27.3	Very low	28.6	Very low	142 Å²	142	143.8 Å²	143.8	73%	0.728	77%	0.773	S	S	*	*			trans	-79	88.6	177.7	-56.1	174.8	0	0	0	108.2	P415	P415-I417 PolarHBondContact O-N 2.87Å
418	L	30.8	Very low	28.6	Very low	145 Å²	145	146 Å²	146	76%	0.759	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-67.9	133.4	170.1	-69.4	175.1	0	0	0	110	P416	P416-L418 PolarHBondContact O-N 3.39Å
419	P	30.9	Very low	28.8	Very low	115 Å²	115	145.5 Å²	145.5	75%	0.747	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-68.1	134.8	-176	27.4	-34.3	0	0	0	111.3	P421	P419-P421 WeakPolarHBondContact O-CD 3.31Å
420	R	27.4	Very low	28.8	Very low	233 Å²	233	143.8 Å²	143.8	88%	0.879	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-81.7	121.2	-177.7	-154.4	-177.7	-162.4	-167.3	5.5	109.7	S422	R420-S422 PolarHBondContact O-N 3.5Å; R420-S422 VanDerWaalsContact O-N 3.12Å
421	P	31.1	Very low	28.9	Very low	124 Å²	124	142.7 Å²	142.7	81%	0.805	78%	0.782	S	S	*	*			trans	-69.5	110.2	176.1	-18.4	32.3	0	0	0	110.6	P419 R423	P419-P421 WeakPolarHBondContact O-CD 3.31Å; P421-R423 PolarHBondContact O-N 3.28Å
422	S	31.5	Very low	29.1	Very low	110 Å²	110	140.7 Å²	140.7	77%	0.769	78%	0.781	S	S	*	*			trans	-72.9	116.9	175.5	-67.3	0	0	0	0	110.5	R420 M424	R420-S422 PolarHBondContact O-N 3.5Å; R420-S422 VanDerWaalsContact O-N 3.12Å; S422-M424 PolarHBondContact O-N 3.17Å
423	R	28.5	Very low	29.4	Very low	249 Å²	249	141 Å²	141	94%	0.94	78%	0.783	S	S	*	*			trans	-65.4	103.6	166.4	-89.6	-175.6	167.4	-177.6	-4.7	109.5	P421	P421-R423 PolarHBondContact O-N 3.28Å
424	M	31	Very low	29.5	Very low	176 Å²	176	140.9 Å²	140.9	87%	0.867	79%	0.788	S	S	*	*			trans	-84.9	114.9	161.9	-85.1	-171.9	155.7	0	0	110	S422	S422-M424 PolarHBondContact O-N 3.17Å
425	T	26.6	Very low	29.8	Very low	128 Å²	128	136.8 Å²	136.8	79%	0.785	79%	0.787	S	S	*	*			trans	-81.2	135.4	157.9	48.1	0	0	0	0	109.3
426	N	31.7	Very low	29.9	Very low	162 Å²	162	137.4 Å²	137.4	87%	0.866	79%	0.794	S	S	*	*			trans	-148.1	157.7	160.5	-100.2	-33	0	0	0	109.4
427	S	28.2	Very low	30.2	Very low	105 Å²	105	141 Å²	141	73%	0.734	80%	0.798	S	S	*	*			trans	-158.8	162.1	-153.7	-163	0	0	0	0	114
428	I	29.1	Very low	30.3	Very low	151 Å²	151	139.6 Å²	139.6	77%	0.774	80%	0.796	S	S	*	*			trans	70.6	147.8	162.7	-19.3	178.6	0	0	0	119.3
429	I	29.9	Very low	30.4	Very low	166 Å²	166	139.5 Å²	139.5	85%	0.851	80%	0.796	S	S	*	*			trans	84.5	127.8	157.5	-48.1	178.1	0	0	0	118.5
430	G	30.1	Very low	30.5	Very low	70 Å²	70	139.1 Å²	139.1	72%	0.722	79%	0.791	S	S	*	*			trans	139.3	86	138.5	0	0	0	0	0	117.6
431	S	28.9	Very low	31	Very low	113 Å²	113	133.2 Å²	133.2	79%	0.79	78%	0.777	S	S	*	*			trans	-91.9	145.3	171.4	-49	0	0	0	0	112.9
432	S	29.8	Very low	31.3	Very low	108 Å²	108	134.4 Å²	134.4	76%	0.755	77%	0.77	S	S	*	*			trans	77.6	152.7	149	75.4	0	0	0	0	122.7
433	T	32	Very low	31.5	Very low	124 Å²	124	137.5 Å²	137.5	76%	0.761	77%	0.769	S	S	*	*			trans	66.9	94.4	160.8	48.4	0	0	0	0	121.8
434	S	30.1	Very low	31.7	Very low	118 Å²	118	132 Å²	132	83%	0.825	76%	0.758	S	S	*	*				51.3	120.6	118.8	-55	0	0	0	0	122
435	P	32.3	Very low	31.7	Very low	114 Å²	114	129.3 Å²	129.3	74%	0.74	75%	0.747	S	S	*	*			trans	-102.6	160.2	178.8	39.3	-35	0	0	0	115.5
436	S	31.7	Very low	32.1	Very low	117 Å²	117	130.6 Å²	130.6	82%	0.818	74%	0.744	S	S	*	*			trans	-140.5	134.4	165	-83.3	0	0	0	0	112.9
437	K	34.4	Very low	31.9	Very low	191 Å²	191	127.3 Å²	127.3	83%	0.83	73%	0.734	S	S	*	*			trans	8.4	144.7	141.4	-64.4	-178.6	-178.7	178.5	0	118.3
438	T	31	Very low	32.1	Very low	112 Å²	112	130.1 Å²	130.1	69%	0.687	74%	0.735	S	S	*	*			cis	-172.1	168.6	16.8	3.9	0	0	0	0	111.8
439	N	31.8	Very low	32.1	Very low	144 Å²	144	127.6 Å²	127.6	77%	0.77	73%	0.731	S	S	*	*			trans	71.2	150.5	145.1	-77	8.5	0	0	0	120
440	V	34.2	Very low	32.2	Very low	107 Å²	107	124.2 Å²	124.2	65%	0.648	72%	0.722	S	S	*	*			cis	-165.2	165.3	-18.2	74	0	0	0	0	110.4
441	D	36.8	Very low	32.2	Very low	109 Å²	109	126.1 Å²	126.1	58%	0.583	72%	0.724	S	S	*	*			trans	69.3	150.2	157	-79.7	2.8	0	0	0	120.7
442	K	37.8	Very low	32.3	Very low	149 Å²	149	125.5 Å²	125.5	65%	0.648	72%	0.72	S	S	*	*			cis	-166.4	165.8	-17.8	-125.5	174.4	-167.2	91.3	0	110.8
443	K	36.6	Very low	32.3	Very low	175 Å²	175	124.8 Å²	124.8	76%	0.761	72%	0.715	S	S	*	*			trans	67.1	154.8	153	-76.1	169.8	177.7	-179.6	0	116.5
444	N	31.8	Very low	32.1	Very low	132 Å²	132	124.2 Å²	124.2	71%	0.706	72%	0.716	S	S	*	*			cis	168.5	161.8	-16.4	-101.1	14.9	0	0	0	103.3
445	L	32.2	Very low	32.2	Very low	120 Å²	120	125.7 Å²	125.7	63%	0.628	71%	0.713	S	S	*	*			cis	-161.8	164.6	7.7	-113.7	156.7	0	0	0	108.2
446	Q	34.1	Very low	31.9	Very low	155 Å²	155	125.3 Å²	125.3	72%	0.724	71%	0.713	S	S	*	*			trans	60.6	122.8	152.4	-73.4	154.7	-46.7	0	0	118.3
447	S	27.8	Very low	32.1	Very low	93 Å²	93	128.9 Å²	128.9	65%	0.65	72%	0.717	S	S	*	*				76.8	146.4	60.2	82.2	0	0	0	0	113
448	E	31.4	Very low	31.7	Very low	165 Å²	165	127.2 Å²	127.2	77%	0.771	72%	0.717	S	S	*	*			cis	-143.2	179.8	23.9	-57.7	-179.5	156.4	0	0	114.1
449	S	30.1	Very low	31.7	Very low	98 Å²	98	129.7 Å²	129.7	69%	0.685	73%	0.725	S	S	*	*			trans	27.8	161.3	135.9	68.8	0	0	0	0	123.2
450	S	30.5	Very low	31.5	Very low	94 Å²	94	128.4 Å²	128.4	66%	0.657	73%	0.727	S	S	*	*			cis	-177	155.2	-28.4	55.4	0	0	0	0	110.4
451	S	31.7	Very low	31.4	Very low	110 Å²	110	129.6 Å²	129.6	77%	0.769	73%	0.734	S	S	*	*			trans	59.5	165.4	160.6	46.2	0	0	0	0	118.7
452	S	31.2	Very low	30.9	Very low	100 Å²	100	129.2 Å²	129.2	70%	0.699	74%	0.74	S	S	*	*			cis	-165.6	161.6	-32.9	57	0	0	0	0	111.5
453	S	29.6	Very low	30.6	Very low	93 Å²	93	133.2 Å²	133.2	65%	0.65	75%	0.751	S	S	*	*			trans	55.5	112.2	144.6	61.5	0	0	0	0	123.4
454	S	27.9	Very low	30.4	Very low	113 Å²	113	131.4 Å²	131.4	79%	0.79	75%	0.75	S	S	*	*				75.6	166.5	121.8	-52.8	0	0	0	0	122.4
455	I	31.9	Very low	30.2	Very low	149 Å²	149	131.8 Å²	131.8	76%	0.764	75%	0.752	S	S	*	*			trans	78.5	114.9	175.6	-51.3	164.8	0	0	0	112.6
456	S	26.3	Very low	30.2	Very low	106 Å²	106	135.1 Å²	135.1	74%	0.741	76%	0.764	S	S	*	*			cis	83.4	96.3	29.4	-51.9	0	0	0	0	115.8
457	Q	34.4	Very low	29.9	Very low	192 Å²	192	132.8 Å²	132.8	90%	0.897	77%	0.765	S	S	*	*			trans	-164.5	142.4	152.7	-114.4	162.8	17.1	0	0	112.9
458	D	26.4	Very low	30.1	Very low	155 Å²	155	137.1 Å²	137.1	83%	0.829	78%	0.775	S	S	*	*			trans	-87.3	147.4	176.3	-46.3	-99.5	0	0	0	112.5
459	I	31.7	Very low	30.1	Very low	165 Å²	165	137.1 Å²	137.1	85%	0.846	78%	0.775	S	S	*	*			trans	-141.4	136.4	142.6	-61.9	-172.9	0	0	0	108.5	V461	I459-V461 HydrophobicContact CG2-CG2 4.15Å
460	S	26.2	Very low	30.2	Very low	116 Å²	116	138.9 Å²	138.9	81%	0.811	78%	0.776	S	S	*	*			trans	-124.8	132.4	172.7	54.2	0	0	0	0	111.1
461	V	33.7	Very low	30.1	Very low	132 Å²	132	139.6 Å²	139.6	80%	0.8	78%	0.781	S	S	*	*			trans	-142.6	149.2	173.5	-174.5	0	0	0	0	109	I459	I459-V461 HydrophobicContact CG2-CG2 4.15Å
462	S	26.6	Very low	30.3	Very low	102 Å²	102	139.5 Å²	139.5	71%	0.713	78%	0.778	S	S	*	*			trans	-124.5	-175.4	-174.5	-44.1	0	0	0	0	111.6
463	R	30.7	Very low	30.4	Very low	232 Å²	232	142.1 Å²	142.1	88%	0.875	78%	0.779	S	S	*	*			trans	76.4	151	168.1	-64.7	171.3	-178.2	156.7	-0.2	114.8
464	N	32.5	Very low	30.6	Very low	137 Å²	137	145.5 Å²	145.5	73%	0.733	78%	0.782	S	S	*	*			cis	-132.8	163.4	-5.9	-87	-34.6	0	0	0	108.2
465	N	26.6	Very low	30.7	Very low	140 Å²	140	142.7 Å²	142.7	75%	0.749	76%	0.762	S	S	*	*			cis	83.3	93.3	39.5	-120.6	54.2	0	0	0	114.9
466	E	33.3	Very low	30.8	Very low	190 Å²	190	143.3 Å²	143.3	89%	0.888	76%	0.755	S	S	*	*			trans	-143.6	153.8	171.1	-61.5	177	135.4	0	0	107.4
467	S	26.5	Very low	31.3	Very low	106 Å²	106	142.9 Å²	142.9	74%	0.741	75%	0.75	S	S	*	*			trans	-156.9	23	-152.8	-59	0	0	0	0	121.8
468	E	33.8	Very low	31.1	Very low	184 Å²	184	138.5 Å²	138.5	86%	0.86	74%	0.736	S	S	*	*			trans	-89	124.9	-176.2	-77.2	172.6	172.5	0	0	113.9
469	E	30.4	Very low	31.5	Very low	166 Å²	166	137.7 Å²	137.7	78%	0.776	74%	0.737	S	S	*	*				73.5	141.1	89.5	-64.6	-151.5	144.7	0	0	114.9
470	L	33.3	Very low	31.3	Very low	134 Å²	134	139.3 Å²	139.3	70%	0.702	73%	0.734	S	S	*	*			cis	-155.3	132.7	9.7	-157.7	78	0	0	0	114.5
471	S	27.7	Very low	31.6	Very low	109 Å²	109	138.6 Å²	138.6	76%	0.762	74%	0.735	S	S	*	*			trans	53	158.1	147.7	-67.5	0	0	0	0	126.8
472	P	35.9	Very low	31.5	Very low	109 Å²	109	138.2 Å²	138.2	71%	0.708	73%	0.733	S	S	*	*			trans	-130.3	-173.8	-174.2	45.4	-30.3	0	0	0	116.4
473	Q	32.4	Very low	31.7	Very low	154 Å²	154	138.3 Å²	138.3	72%	0.72	73%	0.733	S	S	*	*			trans	177.9	144.2	141.9	-103.6	163.8	88.2	0	0	119.4
474	K	34.6	Very low	31.9	Very low	164 Å²	164	133.2 Å²	133.2	71%	0.713	73%	0.73	S	S	*	*			trans	65.2	131.6	143.4	-71.3	165.2	-179.3	163.6	0	120.5
475	S	30.4	Very low	32	Very low	55 Å²	55	131.8 Å²	131.8	39%	0.385	73%	0.728	S	S	.	*			cis	93	145.4	40.2	81.8	0	0	0	0	113.6	D601 N602	S475-D601 WeakPolarHBondContact CB-OD2 3.36Å; S475-N602 WeakPolarHBondContact CA-ND2 3.24Å; S475-N602 VanDerWaalsContact CB-ND2 3.29Å; S475-N602 WeakPolarHBondContact CB-ND2 3.44Å
476	R	33.2	Very low	32.1	Very low	161 Å²	161	133.1 Å²	133.1	61%	0.608	74%	0.735	S	S	*	*			cis	-161.6	168.4	16.5	-153.8	160.2	170.7	-76.2	3.5	110.4	E600	R476-E600 IonicContact CZ-OE1 2.82Å; R476-E600 IonicContact NE-OE1 3.42Å; R476-E600 PolarHBondContact NE-OE1 2.89Å; R476-E600 IonicContact NH2-OE1 2.68Å; R476-E600 PolarHBondContact NH2-OE1 2.78Å
477	P	36.9	Very low	31.9	Very low	98 Å²	98	128.7 Å²	128.7	64%	0.636	73%	0.731	S	S	*	*			trans	-115.1	-119.5	-161.3	42.1	-30.9	0	0	0	117.2
478	T	31.3	Very low	31.9	Very low	99 Å²	99	129.4 Å²	129.4	61%	0.607	73%	0.73	S	S	*	*			trans	90.9	149.7	-178.8	-15.7	0	0	0	0	114.3	Y480	T478-Y480 HydrophobicContact CG2-CD2 4.3Å; T478-Y480 HydrophobicContact CG2-CE2 4.39Å
479	V	33.3	Very low	31.4	Very low	139 Å²	139	128.9 Å²	128.9	84%	0.842	73%	0.728	S	S	*	*			cis	-140.9	164.1	34.1	-172.4	0	0	0	0	114.9
480	Y	28.1	Very low	31.5	Very low	198 Å²	198	130.5 Å²	130.5	78%	0.776	74%	0.736	S	S	*	*			trans	-90.6	166.1	-172.6	-69.9	-108.7	0	0	0	116.6	T478 V482	T478-Y480 HydrophobicContact CG2-CD2 4.3Å; T478-Y480 HydrophobicContact CG2-CE2 4.39Å; Y480-V482 HydrophobicContact CD1-CG2 4.08Å
481	A	33.5	Very low	31.3	Very low	102 Å²	102	130 Å²	130	84%	0.843	74%	0.744	S	S	*	*			trans	-145.6	151.8	135.5	0	0	0	0	0	110.1
482	V	31.4	Very low	31.4	Very low	124 Å²	124	128.8 Å²	128.8	75%	0.752	75%	0.748	S	S	*	*			trans	-136.8	157.1	-168.3	175.3	0	0	0	0	112.6	Y480	Y480-V482 HydrophobicContact CD1-CG2 4.08Å
483	S	30.9	Very low	30.9	Very low	104 Å²	104	131.1 Å²	131.1	73%	0.727	75%	0.754	S	S	*	*			trans	-59.3	175.9	-174.5	-35.1	0	0	0	0	117.2
484	P	34.2	Very low	30.9	Very low	124 Å²	124	133.9 Å²	133.9	81%	0.805	76%	0.763	S	S	*	*				-135.8	165.7	110.7	39.3	-31.2	0	0	0	115.5
485	P	34	Very low	30.3	Very low	107 Å²	107	132.1 Å²	132.1	70%	0.695	76%	0.761	S	S	*	*			trans	-104.6	-158.9	173.9	38.4	-28.7	0	0	0	113.4
486	L	28.1	Very low	30	Very low	169 Å²	169	140.2 Å²	140.2	89%	0.885	78%	0.783	S	S	*	*			trans	83.1	151.1	-170.5	-68.1	69.4	0	0	0	113.1
487	A	30.9	Very low	29.7	Very low	97 Å²	97	140.6 Å²	140.6	80%	0.802	80%	0.795	S	S	*	*			cis	-140.3	-172.9	6.6	0	0	0	0	0	113.3
488	T	25.4	Very low	29.1	Very low	120 Å²	120	142.1 Å²	142.1	74%	0.736	80%	0.797	S	S	*	*			trans	-92	159.2	-173.2	42.5	0	0	0	0	115.9
489	E	24.4	Very low	29	Very low	174 Å²	174	142.8 Å²	142.8	81%	0.813	81%	0.806	S	S	*	*			trans	53.7	120.5	147.7	-70.2	172	-164.8	0	0	120.9
490	Q	32.5	Very low	28.8	Very low	199 Å²	199	139.9 Å²	139.9	93%	0.93	79%	0.785	S	S	*	*				-169.9	150.4	108.1	-102.5	171.8	26.7	0	0	112.3
491	S	27.7	Very low	28.9	Very low	125 Å²	125	136 Å²	136	87%	0.874	78%	0.778	S	S	*	*			trans	-100	146.5	175	49.7	0	0	0	0	111.3
492	G	29.9	Very low	28.9	Very low	82 Å²	82	135.1 Å²	135.1	85%	0.845	76%	0.763	S	S	*	*			trans	-163.9	113.3	-179.5	0	0	0	0	0	113.5
493	L	25.9	Very low	28.7	Very low	159 Å²	159	134.4 Å²	134.4	83%	0.832	76%	0.755	S	S	*	*			trans	-75.1	152.1	175.7	-69.9	158.5	0	0	0	111.8
494	K	31.6	Very low	28.9	Very low	211 Å²	211	137.7 Å²	137.7	92%	0.917	76%	0.756	S	S	*	*			trans	-137.5	149.2	146.9	-105.5	-178.8	179.4	-178.9	0	110.3
495	L	22.9	Very low	28.8	Very low	128 Å²	128	140.8 Å²	140.8	67%	0.67	76%	0.757	S	S	*	*			trans	-144.2	148.2	-158.7	-101.8	163.4	0	0	0	110.6
496	R	24.3	Very low	28.6	Very low	225 Å²	225	140 Å²	140	85%	0.849	75%	0.754	S	S	*	*			trans	68	169.1	163.4	-62.6	173.1	176.3	178.7	-3.6	113.1
497	I	27.1	Very low	28.5	Very low	168 Å²	168	137.4 Å²	137.4	86%	0.862	75%	0.745	S	S	*	*			cis	-135.6	167.2	27.6	-65.8	167.3	0	0	0	111.9
498	I	24	Very low	28.4	Very low	130 Å²	130	140.5 Å²	140.5	67%	0.667	75%	0.748	S	S	*	*			trans	-99	151.1	-168.1	-63.7	153.6	0	0	0	112.4	L500	I498-L500 HydrophobicContact CG2-CD1 3.92Å; I498-L500 HydrophobicContact CG2-CG 3.91Å
499	S	28.6	Very low	28.3	Very low	114 Å²	114	140 Å²	140	80%	0.797	75%	0.745	S	S	*	*			trans	-177.5	137.3	141.6	-91.3	0	0	0	0	108.8
500	L	28.4	Very low	28.3	Very low	78 Å²	78	142 Å²	142	41%	0.408	75%	0.747	S	S	.	*			cis	125	92.6	9.6	-84.2	166.2	0	0	0	110.7	K71 I498	K71-L500 WeakPolarHBondContact O-CD2 3.48Å; I498-L500 HydrophobicContact CG2-CD1 3.92Å; I498-L500 HydrophobicContact CG2-CG 3.91Å
501	D	31.2	Very low	27.9	Very low	117 Å²	117	137 Å²	137	63%	0.626	73%	0.733	S	S	*	*			trans	17.8	148.1	145.1	-85.4	-54.3	0	0	0	122.4
502	P	34.4	Very low	27.8	Very low	83 Å²	83	136.3 Å²	136.3	54%	0.539	72%	0.724	S	S	.	*				-165.2	154.6	68.8	43.2	-20.8	0	0	0	123.7	K71	K71-P502 HydrophobicContact CD-CB 3.62Å; K71-P502 HydrophobicContact CD-CG 4.43Å
503	L	27.2	Very low	27.6	Very low	108 Å²	108	139.3 Å²	139.3	57%	0.565	72%	0.72	S	S	*	*			trans	30.2	125.5	130.1	-64.8	163	0	0	0	122.9	K71	K71-L503 HydrophobicContact CD-CD1 4.46Å
504	K	33.6	Very low	27.6	Very low	174 Å²	174	137.5 Å²	137.5	76%	0.757	71%	0.711	S	S	*	*				159.1	134.3	104.6	-101.9	151.3	-177.8	175.9	0	115.2
505	K	33	Very low	27.4	Very low	189 Å²	189	133.2 Å²	133.2	82%	0.822	70%	0.698	S	S	*	*			trans	60.4	154.9	142.1	-69.3	-174.6	178.3	-166.5	0	119.2
506	S	28.8	Very low	27.7	Very low	90 Å²	90	133.4 Å²	133.4	63%	0.629	70%	0.7	S	S	*	*			cis	-167.9	156.4	-16.9	48.3	0	0	0	0	110.6
507	T	26.9	Very low	27.9	Very low	115 Å²	115	130.9 Å²	130.9	71%	0.706	70%	0.695	S	S	*	*			trans	43	117.5	148.7	56	0	0	0	0	120.2
508	N	28.5	Very low	28	Very low	161 Å²	161	128.7 Å²	128.7	86%	0.861	69%	0.685	S	S	*	*				-167.1	163	104.4	-97.7	-22.3	0	0	0	113.6
509	T	24.3	Very low	28.1	Very low	110 Å²	110	128.1 Å²	128.1	68%	0.675	68%	0.684	S	S	*	*			trans	-123.2	177.3	-170.6	44.3	0	0	0	0	111.2
510	Y	22.7	Very low	28.2	Very low	216 Å²	216	130.3 Å²	130.3	85%	0.847	68%	0.681	S	S	*	*			trans	68.8	147.2	173.9	-64.4	-84.4	0	0	0	116.1
511	S	24.7	Very low	28.2	Very low	93 Å²	93	132.4 Å²	132.4	65%	0.65	70%	0.702	S	S	*	*			cis	-161.9	176.3	-25.7	-138.3	0	0	0	0	111.6
512	T	26.6	Very low	28.2	Very low	111 Å²	111	129.8 Å²	129.8	68%	0.681	70%	0.703	S	S	*	*			trans	-8.8	143	154.5	57.7	0	0	0	0	118.6
513	L	25.9	Very low	28.2	Very low	146 Å²	146	135.8 Å²	135.8	76%	0.764	72%	0.72	S	S	*	*				-178.1	132.5	107.6	-94.8	160.8	0	0	0	115.3
514	N	25.8	Very low	28.3	Very low	120 Å²	120	135 Å²	135	64%	0.642	72%	0.724	S	S	*	*			trans	54.5	109.3	138.6	-74.4	1.1	0	0	0	123.9
515	N	26.6	Very low	28.2	Very low	121 Å²	121	135 Å²	135	65%	0.647	73%	0.726	S	S	*	*				75.1	153.1	109.3	-59.8	-18.4	0	0	0	122.3
516	N	29.1	Very low	27.8	Very low	133 Å²	133	133.5 Å²	133.5	71%	0.711	73%	0.727	S	S	*	*			trans	73	146	155.7	-64.2	-32.7	0	0	0	117
517	K	29	Very low	27.8	Very low	171 Å²	171	135 Å²	135	74%	0.743	73%	0.732	S	S	*	*			cis	-176.8	172.9	-28.7	-127.1	177.9	-171.8	174.7	0	106.8
518	N	28.3	Very low	27.9	Very low	122 Å²	122	136.1 Å²	136.1	65%	0.652	73%	0.734	S	S	*	*			trans	66.1	105.4	153.5	-69.5	31.4	0	0	0	119.6
519	D	26.8	Very low	28.1	Very low	119 Å²	119	135 Å²	135	64%	0.636	73%	0.728	S	S	*	*				89.5	140.5	113.4	-64.4	-42.8	0	0	0	124
520	H	31.2	Very low	28.2	Very low	159 Å²	159	135.8 Å²	135.8	74%	0.736	73%	0.727	S	S	*	*			trans	76.3	86.5	146.4	-65.5	-6.7	0	0	0	121.3
521	S	28.2	Very low	28.7	Very low	123 Å²	123	134.4 Å²	134.4	86%	0.86	73%	0.725	S	S	*	*				89.7	145.4	109.5	79.6	0	0	0	0	120.4
522	G	30.3	Very low	29	Very low	62 Å²	62	134.8 Å²	134.8	64%	0.639	73%	0.728	S	S	*	*			trans	126.4	85.4	134.5	0	0	0	0	0	119
523	K	34.2	Very low	29.3	Very low	208 Å²	208	134 Å²	134	90%	0.904	73%	0.733	S	S	*	*			trans	68	167.3	144.8	-58.7	168.1	-175.9	173.6	0	117.1
524	S	29.1	Very low	29.7	Very low	92 Å²	92	132.3 Å²	132.3	64%	0.643	73%	0.733	S	S	*	*			cis	-164.9	168.1	-42.6	56.7	0	0	0	0	109.5
525	H	32.4	Very low	30.3	Very low	174 Å²	174	130.9 Å²	130.9	81%	0.806	74%	0.738	S	S	*	*			trans	60.5	105.3	167.3	-70.4	-74	0	0	0	120.1
526	L	23.7	Very low	30.8	Very low	158 Å²	158	130.9 Å²	130.9	83%	0.827	74%	0.742	S	S	*	*				-67.7	141	127.1	-78	157.4	0	0	0	109.3
527	T	29.1	Very low	30.9	Very low	120 Å²	120	130 Å²	130	74%	0.736	75%	0.745	S	S	*	*				178.9	132.6	112.6	36.5	0	0	0	0	112.1
528	N	28.3	Very low	31.3	Very low	140 Å²	140	127 Å²	127	75%	0.749	74%	0.743	S	S	*	*			trans	11.5	129.6	146.5	-48.2	-14.5	0	0	0	120.3
529	D	33	Very low	31.4	Very low	138 Å²	138	126.9 Å²	126.9	74%	0.738	75%	0.752	S	S	*	*				-171	124.8	112.6	-99.9	1.6	0	0	0	109.5
530	I	27.9	Very low	31.9	Very low	126 Å²	126	125.9 Å²	125.9	65%	0.646	75%	0.752	S	S	*	*				82.1	132.1	75.8	-74.1	-177.5	0	0	0	113.6
531	K	32.5	Very low	31.7	Very low	186 Å²	186	122.4 Å²	122.4	81%	0.809	75%	0.745	S	S	*	*			trans	76.2	148.6	177.9	-65.1	146.9	-172.3	165.2	0	115.9
532	S	30.8	Very low	31.7	Very low	102 Å²	102	122 Å²	122	71%	0.713	74%	0.743	S	S	*	*			cis	-169.9	155.9	-16	-102.5	0	0	0	0	111.3
533	A	34	Very low	31.7	Very low	95 Å²	95	124.3 Å²	124.3	79%	0.785	75%	0.749	S	S	*	*			trans	64.6	154.4	150	0	0	0	0	0	118.1
534	S	32.9	Very low	31.5	Very low	110 Å²	110	120.4 Å²	120.4	77%	0.769	75%	0.745	S	S	*	*			cis	-165.9	178.8	-16.5	49	0	0	0	0	109.2
535	A	38.1	Very low	31.4	Very low	90 Å²	90	120.1 Å²	120.1	74%	0.744	74%	0.743	S	S	*	*			trans	71.1	147.7	170	0	0	0	0	0	117.6
536	T	37.5	Very low	31.4	Very low	120 Å²	120	118.3 Å²	118.3	74%	0.736	75%	0.747	S	S	*	*			cis	-157.5	115.1	-19.7	-89.3	0	0	0	0	110.5
537	C	31.2	Very low	31.4	Very low	115 Å²	115	115.4 Å²	115.4	78%	0.777	74%	0.74	S	S	*	*			trans	52.4	-171.3	141	-43.9	0	0	0	0	118.4
538	P	37.3	Very low	31.3	Very low	107 Å²	107	115 Å²	115	70%	0.695	74%	0.741	S	S	*	*				-142.9	141.6	-113	37.3	-13.7	0	0	0	119.1
539	S	31.7	Very low	31.3	Very low	120 Å²	120	113.7 Å²	113.7	84%	0.839	74%	0.744	S	S	*	*			trans	63.7	176.3	155.2	-63.4	0	0	0	0	117.1
540	P	35.6	Very low	31.3	Very low	98 Å²	98	112.5 Å²	112.5	64%	0.636	75%	0.746	S	S	*	*			cis	-124.3	175	-36.3	33.1	-17.7	0	0	0	113.4
541	S	27.2	Very low	32	Very low	86 Å²	86	111.3 Å²	111.3	60%	0.601	75%	0.749	S	S	*	*			trans	77	170.7	158.4	78.2	0	0	0	0	118.2
542	S	29.3	Very low	32.7	Very low	115 Å²	115	108 Å²	108	80%	0.804	75%	0.749	S	S	*	*			trans	78.2	130.6	-176.5	-49.8	0	0	0	0	117.9
543	S	30.3	Very low	33.3	Very low	110 Å²	110	108 Å²	108	77%	0.769	75%	0.749	S	S	*	*			trans	-67.8	159.3	159.9	50.9	0	0	0	0	111.4
544	P	30.1	Very low	33.7	Very low	126 Å²	126	108.9 Å²	108.9	82%	0.818	75%	0.749	S	S	*	*				-147.7	-165.7	70.5	41.1	-20.6	0	0	0	116.1
545	S	25.5	Very low	34.3	Very low	87 Å²	87	109.2 Å²	109.2	61%	0.608	75%	0.749	S	S	*	*			trans	-72	167.2	-173	-25.5	0	0	0	0	116.2
546	P	32.4	Very low	34.7	Very low	135 Å²	135	109.7 Å²	109.7	88%	0.877	75%	0.753	S	S	*	*			trans	-90.6	91.2	147.9	34.6	-26.3	0	0	0	110.3
547	S	25	Very low	34.3	Very low	98 Å²	98	108.5 Å²	108.5	69%	0.685	76%	0.756	S	S	*	*			trans	-140.4	63.1	179.6	65.2	0	0	0	0	112.7
548	S	26.3	Very low	34.3	Very low	110 Å²	110	112.5 Å²	112.5	77%	0.769	76%	0.76	S	S	*	*			trans	-175.1	143.6	177.4	51.7	0	0	0	0	106.3
549	S	29.1	Very low	33.8	Very low	114 Å²	114	112.5 Å²	112.5	80%	0.797	76%	0.762	S	S	*	*			cis	-164.7	157	2.8	53.5	0	0	0	0	105.1
550	S	32.9	Very low	33.4	Very low	113 Å²	113	111 Å²	111	79%	0.79	76%	0.757	S	S	*	*			cis	-170.9	170.5	31.6	61.5	0	0	0	0	106.6
551	S	42.8	Very low	33	Very low	100 Å²	100	113 Å²	113	70%	0.699	76%	0.761	S	S	*	*			cis	-158.7	163.6	7.7	50	0	0	0	0	109.8
552	S	46.2	Very low	32.9	Very low	117 Å²	117	115 Å²	115	82%	0.818	77%	0.771	S	S	*	*			trans	64.4	141.8	174.2	69.1	0	0	0	0	117.7
553	S	44.6	Very low	32.8	Very low	101 Å²	101	115 Å²	115	71%	0.706	77%	0.766	S	S	*	*			cis	-164.7	138.1	-13.6	49.6	0	0	0	0	112.9
554	S	42.5	Very low	32.6	Very low	114 Å²	114	120.1 Å²	120.1	80%	0.797	77%	0.768	S	S	*	*			trans	64.2	155.3	150	-63.6	0	0	0	0	120.6
555	P	44	Very low	32.3	Very low	118 Å²	118	120.7 Å²	120.7	77%	0.766	76%	0.763	S	S	*	*			cis	-139.2	-172.9	-36.2	40.3	-23.5	0	0	0	114
556	A	47.1	Very low	32.4	Very low	99 Å²	99	122.5 Å²	122.5	82%	0.818	77%	0.77	S	S	*	*			trans	70.7	100.9	148.7	0	0	0	0	0	120.5
557	A	29.8	Very low	32	Very low	96 Å²	96	122.7 Å²	122.7	79%	0.793	76%	0.763	S	S	*	*			trans	-102.2	129.7	142.7	0	0	0	0	0	109.8
558	K	30.2	Very low	32.1	Very low	198 Å²	198	126.7 Å²	126.7	86%	0.861	77%	0.768	S	S	*	*			trans	179.3	147.8	154.2	-104.2	158.3	-173.1	178.2	0	111.9
559	S	26.5	Very low	32.3	Very low	108 Å²	108	130 Å²	130	76%	0.755	77%	0.769	S	S	*	*			trans	60	140.1	-178.8	50.1	0	0	0	0	114.8
560	A	24.4	Very low	32.2	Very low	87 Å²	87	131.1 Å²	131.1	72%	0.719	77%	0.765	S	S	*	*			cis	67.8	148.7	39	0	0	0	0	0	112.1
561	L	26.9	Very low	32	Very low	140 Å²	140	132 Å²	132	73%	0.733	76%	0.761	S	S	*	*			cis	-129.6	151.8	17.5	-87.1	83.4	0	0	0	114.7	T563	L561-T563 PolarHBondContact O-N 2.63Å
562	T	25.5	Very low	31.3	Very low	130 Å²	130	132.7 Å²	132.7	80%	0.798	76%	0.761	S	S	*	*			trans	-22	102.8	133.7	35.5	0	0	0	0	117.3
563	T	27.4	Very low	30.4	Very low	115 Å²	115	130.3 Å²	130.3	71%	0.706	75%	0.748	S	S	*	*			trans	-148.7	104.1	148.1	9.1	0	0	0	0	108.7	L561	L561-T563 PolarHBondContact O-N 2.63Å
564	R	24.7	Very low	29.7	Very low	217 Å²	217	132.5 Å²	132.5	82%	0.819	75%	0.747	S	S	*	*				77.8	116.2	93.3	-81.6	-169.3	173.8	152.3	-2.1	115
565	I	24.7	Very low	29.2	Very low	137 Å²	137	134.7 Å²	134.7	70%	0.703	74%	0.743	S	S	*	*				38.4	102.3	121	-47.3	163.3	0	0	0	116.1
566	T	26.7	Very low	28.4	Very low	125 Å²	125	137.9 Å²	137.9	77%	0.767	74%	0.741	S	S	*	*				-176.8	137.5	119.9	27.8	0	0	0	0	106.7
567	L	23.8	Very low	27.5	Very low	139 Å²	139	140.5 Å²	140.5	73%	0.728	74%	0.736	S	S	*	*				57.8	74	57	-64.5	177.6	0	0	0	114
568	K	29	Very low	27.5	Very low	182 Å²	182	141.2 Å²	141.2	79%	0.791	74%	0.735	S	S	*	*				-179.2	136.4	102.8	-88.6	146.2	-167.7	174	0	109
569	K	29.6	Very low	27.5	Very low	180 Å²	180	135.6 Å²	135.6	78%	0.783	73%	0.726	S	S	*	*				75.5	152.3	55.5	-165.4	-169.8	-175.9	-174.3	0	110.2
570	L	27.3	Very low	27.5	Very low	138 Å²	138	138.5 Å²	138.5	72%	0.723	73%	0.725	S	S	*	*			trans	78.5	140	-172.7	-44.3	170.6	0	0	0	111
571	N	28.3	Very low	27.7	Very low	131 Å²	131	137.7 Å²	137.7	70%	0.701	71%	0.712	S	S	*	*			cis	-173.8	167	-13.2	-108.8	5.9	0	0	0	104.9
572	T	28.9	Very low	27.8	Very low	115 Å²	115	132.3 Å²	132.3	71%	0.706	69%	0.686	S	S	*	*			cis	-160.8	170.6	4.9	-3.2	0	0	0	0	108.6
573	A	27.4	Very low	27.9	Very low	66 Å²	66	132.1 Å²	132.1	55%	0.545	68%	0.679	S	S	.	*			trans	60.4	114.8	144.4	0	0	0	0	0	118.4
574	E	28.9	Very low	28.1	Very low	147 Å²	147	134.6 Å²	134.6	69%	0.687	68%	0.682	S	S	*	*				85.3	139.8	97	-73.7	167.8	-126.5	0	0	113.2
575	K	32.9	Very low	28.3	Very low	161 Å²	161	129.2 Å²	129.2	70%	0.7	68%	0.678	S	S	*	*			cis	-134.4	147.8	5.2	-110.6	139.9	176.5	149	0	109.1
576	Y	25.6	Very low	28.6	Very low	185 Å²	185	128.3 Å²	128.3	73%	0.725	68%	0.681	S	S	*	*				51.3	138.3	93.9	-73.5	-103.8	0	0	0	113.9
577	E	29.5	Very low	28.6	Very low	153 Å²	153	127 Å²	127	72%	0.715	68%	0.677	S	S	*	*			cis	-157.1	151	18	-159.9	143.4	-153.9	0	0	115.1
578	S	30.3	Very low	28.8	Very low	111 Å²	111	127.5 Å²	127.5	78%	0.776	68%	0.68	S	S	*	*			trans	59.5	151.6	152.2	63.4	0	0	0	0	121.7
579	A	30.5	Very low	28.7	Very low	80 Å²	80	129 Å²	129	66%	0.661	68%	0.682	S	S	*	*			cis	-161.5	150.6	-29	0	0	0	0	0	106.7
580	F	24.6	Very low	28.5	Very low	169 Å²	169	131 Å²	131	74%	0.741	69%	0.685	S	S	*	*				55.2	148	50.7	-78.7	-72.4	0	0	0	112.9
581	T	30	Very low	28.7	Very low	71 Å²	71	133.9 Å²	133.9	44%	0.436	69%	0.691	S	S	.	*			cis	-148.9	177.8	10	-15.6	0	0	0	0	106.8	S1133 L1134	T581-S1133 WeakPolarHBondContact O-CB 3.31Å; T581-S1133 PolarHBondContact O-OG 3.31Å; T581-L1134 CarbonylContact C-O 3.58Å
582	S	28.9	Very low	28.6	Very low	27 Å²	27	133 Å²	133	19%	0.189	70%	0.695	C	S	.	*			cis	174.2	140.9	40.8	-119.7	0	0	0	0	112.1	L1134	S582-L1134 PolarHBondContact N-O 2.79Å
583	L	26.6	Very low	28.7	Very low	126 Å²	126	133.4 Å²	133.4	66%	0.66	70%	0.7	S	S	*	*			trans	69	159.9	133.5	-54.6	171.8	0	0	0	120.7
584	H	31.1	Very low	28.8	Very low	166 Å²	166	136.4 Å²	136.4	77%	0.769	71%	0.711	S	S	*	*			cis	-155.7	175.6	3.6	-129	-23.5	0	0	0	113.7
585	S	29.2	Very low	28.7	Very low	105 Å²	105	135.8 Å²	135.8	73%	0.734	71%	0.713	S	S	*	*			trans	-130.2	152.7	174.7	-48.8	0	0	0	0	111.5
586	P	32.5	Very low	28.3	Very low	117 Å²	117	134.3 Å²	134.3	76%	0.76	71%	0.711	S	S	*	*				-145.8	155.9	121.5	28.9	-10	0	0	0	113.2
587	S	26.7	Very low	28.5	Very low	99 Å²	99	132.1 Å²	132.1	69%	0.692	71%	0.712	S	S	*	*			cis	102.2	130.5	16.2	81	0	0	0	0	116.8
588	L	26.6	Very low	28.4	Very low	149 Å²	149	129.3 Å²	129.3	78%	0.78	71%	0.709	S	S	*	*			trans	121.4	155.4	150.7	-62.6	178.2	0	0	0	120
589	Y	27.8	Very low	28.5	Very low	212 Å²	212	131.8 Å²	131.8	83%	0.831	71%	0.706	S	S	*	*			trans	69.9	114.5	174.9	-65.9	-80	0	0	0	118.5
590	R	26.1	Very low	28.7	Very low	224 Å²	224	133.2 Å²	133.2	85%	0.845	70%	0.699	S	S	*	*			cis	98.8	101.6	8.5	-158.8	-163.9	-129.9	-147.1	5.5	117.5
591	K	30.8	Very low	29.2	Very low	198 Å²	198	129.6 Å²	129.6	86%	0.861	69%	0.687	S	S	*	*			trans	163.6	116.3	150	-91.3	159.4	-176.5	-178.4	0	106.6
592	S	24.9	Very low	29.2	Very low	113 Å²	113	129.7 Å²	129.7	79%	0.79	69%	0.685	S	S	*	*				91.3	134.6	52.3	-64.5	0	0	0	0	113.3
593	P	32.9	Very low	29.3	Very low	123 Å²	123	132.3 Å²	132.3	80%	0.799	70%	0.702	S	S	*	*			trans	-108.6	173.8	-161.8	42.5	-37.2	0	0	0	115.2
594	V	28.3	Very low	29.7	Very low	129 Å²	129	131.5 Å²	131.5	78%	0.782	71%	0.706	S	S	*	*			trans	-173.5	140.2	154.3	126.2	0	0	0	0	112.8
595	N	27.6	Very low	29.6	Very low	134 Å²	134	129.4 Å²	129.4	72%	0.717	70%	0.699	S	S	*	*			trans	55.6	159	154.2	-72.2	8.9	0	0	0	122.5
596	I	24.1	Very low	29.6	Very low	129 Å²	129	129.7 Å²	129.7	66%	0.662	70%	0.701	S	S	*	*			cis	-164.2	170	-31.2	-117.7	170.9	0	0	0	108.2
597	D	29.2	Very low	29.4	Very low	139 Å²	139	130.2 Å²	130.2	74%	0.743	70%	0.698	S	S	*	*			trans	68.4	125.9	172.5	-69.1	-32.3	0	0	0	118.1
598	S	28	Very low	29.5	Very low	94 Å²	94	133.2 Å²	133.2	66%	0.657	70%	0.704	S	S	*	*				84.2	134.6	67.2	104.1	0	0	0	0	112.2
599	K	33.2	Very low	29.6	Very low	164 Å²	164	130 Å²	130	71%	0.713	69%	0.694	S	S	*	*			cis	-148.2	151.3	23.7	-97.8	177.7	177.8	166.8	0	111.7
600	E	33	Very low	30	Very low	110 Å²	110	128.9 Å²	128.9	51%	0.514	70%	0.697	S	S	.	*				60.3	143.3	93.8	-52.8	-176.6	131.1	0	0	115	R476	R476-E600 IonicContact CZ-OE1 2.82Å; R476-E600 IonicContact NE-OE1 3.42Å; R476-E600 PolarHBondContact NE-OE1 2.89Å; R476-E600 IonicContact NH2-OE1 2.68Å; R476-E600 PolarHBondContact NH2-OE1 2.78Å
601	D	35	Very low	30	Very low	93 Å²	93	123.3 Å²	123.3	50%	0.497	69%	0.692	S	S	.	*			cis	-163.7	154.5	13.9	-138.4	25.1	0	0	0	114.9	S475	S475-D601 WeakPolarHBondContact CB-OD2 3.36Å
602	N	31.9	Very low	30.2	Very low	73 Å²	73	118.9 Å²	118.9	39%	0.39	68%	0.684	S	S	.	*			trans	32.4	169.2	137.6	-64.6	-33	0	0	0	123.5	S475	S475-N602 WeakPolarHBondContact CA-ND2 3.24Å; S475-N602 VanDerWaalsContact CB-ND2 3.29Å; S475-N602 WeakPolarHBondContact CB-ND2 3.44Å
603	C	30.5	Very low	30.3	Very low	82 Å²	82	119.9 Å²	119.9	55%	0.554	68%	0.684	S	S	*	*			cis	-158.7	164	-19.6	-105.9	0	0	0	0	106.8
604	C	34	Very low	30.2	Very low	108 Å²	108	119.1 Å²	119.1	73%	0.73	68%	0.682	S	S	*	*			cis	96.8	138.2	9.7	-143.4	0	0	0	0	117.8
605	I	28.6	Very low	30.5	Very low	122 Å²	122	117.8 Å²	117.8	63%	0.626	68%	0.678	S	S	*	*			trans	82	131.4	167.8	-54.5	160.3	0	0	0	115.2	N607	I605-N607 VanDerWaalsContact CG2-ND2 3.33Å; I605-N607 WeakPolarHBondContact CG2-ND2 3.44Å
606	S	29.4	Very low	30.6	Very low	111 Å²	111	118.6 Å²	118.6	78%	0.776	68%	0.682	S	S	*	*				-176.8	165	81.8	-56.8	0	0	0	0	111.3
607	N	28.6	Very low	30.8	Very low	129 Å²	129	119.8 Å²	119.8	69%	0.69	69%	0.685	S	S	*	*			cis	-175.1	-168.5	-34.1	-98.7	-19.8	0	0	0	108.1	I605	I605-N607 VanDerWaalsContact CG2-ND2 3.33Å; I605-N607 WeakPolarHBondContact CG2-ND2 3.44Å
608	I	29.8	Very low	30.8	Very low	161 Å²	161	121.5 Å²	121.5	83%	0.826	68%	0.681	S	S	*	*			trans	84.7	129.8	160.7	-54.3	171.1	0	0	0	115.7
609	S	28.8	Very low	30.7	Very low	83 Å²	83	121.3 Å²	121.3	58%	0.58	69%	0.685	S	S	*	*			cis	-166.2	173.4	-19.3	62	0	0	0	0	112.5
610	Q	34.7	Very low	30.4	Very low	188 Å²	188	120.7 Å²	120.7	88%	0.879	69%	0.688	S	S	*	*			trans	91.7	151.8	160.2	-66	167.4	60.4	0	0	119.7
611	S	27.3	Very low	30	Very low	106 Å²	106	119.8 Å²	119.8	74%	0.741	69%	0.693	S	S	*	*			trans	-142.8	-152.9	-164.9	69.3	0	0	0	0	107.8
612	P	34.4	Very low	29.5	Very low	106 Å²	106	126 Å²	126	69%	0.688	71%	0.711	S	S	*	*			cis	-126.3	152.5	-4.2	12.9	15.1	0	0	0	114.9
613	V	28.2	Very low	29.5	Very low	133 Å²	133	128.4 Å²	128.4	81%	0.806	73%	0.731	S	S	*	*				76.3	148.9	92	-174.7	0	0	0	0	117.1
614	S	30.3	Very low	29.4	Very low	108 Å²	108	132.2 Å²	132.2	76%	0.755	75%	0.745	S	S	*	*			trans	88	136.4	179.3	81.9	0	0	0	0	114.8
615	S	34.2	Very low	29.1	Very low	100 Å²	100	134.9 Å²	134.9	70%	0.699	75%	0.752	S	S	*	*			cis	-137.6	139	5.5	-72.9	0	0	0	0	110.1
616	L	29.5	Very low	29.4	Very low	151 Å²	151	133.7 Å²	133.7	79%	0.791	75%	0.752	S	S	*	*				49.3	134.7	90	-66.6	167.4	0	0	0	114
617	Q	29	Very low	29.2	Very low	155 Å²	155	136 Å²	136	72%	0.724	76%	0.756	S	S	*	*			cis	-162.7	142.5	4.1	-173.5	69.1	-33.7	0	0	106.1
618	R	28	Very low	29.4	Very low	175 Å²	175	139.5 Å²	139.5	66%	0.66	77%	0.768	S	S	*	*				171.4	149.2	81.9	179.3	173.5	-82.9	140.5	-3.8	109.1
619	A	25.7	Very low	29.2	Very low	90 Å²	90	136 Å²	136	74%	0.744	76%	0.763	S	S	*	*			trans	-134.8	141.1	175.2	0	0	0	0	0	112.6
620	I	27.7	Very low	29.3	Very low	151 Å²	151	140.4 Å²	140.4	77%	0.774	77%	0.774	S	S	*	*			trans	-153.9	128.5	166.4	-48.7	178	0	0	0	104.6
621	S	25.3	Very low	28.8	Very low	90 Å²	90	137.3 Å²	137.3	63%	0.629	76%	0.763	S	S	*	*			cis	95.6	80.2	18.1	-56.8	0	0	0	0	116.5
622	Y	23.9	Very low	28.6	Very low	223 Å²	223	140.8 Å²	140.8	88%	0.875	77%	0.766	S	S	*	*			trans	66.9	167.8	159.3	-61.8	-83	0	0	0	117.1
623	P	32.1	Very low	28.1	Very low	124 Å²	124	140.5 Å²	140.5	81%	0.805	77%	0.766	S	S	*	*			cis	-121.9	-154.4	-5.5	40	-22.5	0	0	0	113.7
624	L	27.4	Very low	28	Very low	163 Å²	163	143.3 Å²	143.3	85%	0.853	77%	0.77	S	S	*	*			trans	-77	156.1	175.2	-64.3	155.8	0	0	0	112.7
625	D	28.1	Very low	28	Very low	164 Å²	164	144 Å²	144	88%	0.877	77%	0.77	S	S	*	*			trans	-154.6	143.4	140.4	-117.2	-29.8	0	0	0	111.4
626	P	34.5	Very low	27.6	Very low	96 Å²	96	145.8 Å²	145.8	62%	0.623	77%	0.771	S	S	*	*			trans	-106.8	156.9	173.9	38	-30.2	0	0	0	113.5
627	N	25.6	Very low	27.4	Very low	160 Å²	160	145 Å²	145	86%	0.856	77%	0.768	S	S	*	*			trans	78.3	93.8	178	-44.9	-51.4	0	0	0	116.3
628	E	32.3	Very low	27.2	Very low	203 Å²	203	146.3 Å²	146.3	95%	0.949	78%	0.777	S	S	*	*			trans	-146.6	130.8	142.6	-133.4	171	-144.7	0	0	108.4
629	A	26.9	Very low	27.1	Very low	86 Å²	86	144.4 Å²	144.4	71%	0.711	78%	0.779	S	S	*	*			trans	-144.9	91.3	-168.4	0	0	0	0	0	112.3
630	H	29.3	Very low	27.1	Very low	177 Å²	177	145.9 Å²	145.9	82%	0.819	77%	0.774	S	S	*	*			trans	-152.1	143.8	162.8	-73.4	-54.5	0	0	0	106.9
631	N	25.2	Very low	27.1	Very low	122 Å²	122	146.2 Å²	146.2	65%	0.652	77%	0.77	S	S	*	*			cis	-178.5	159.4	-21.4	-114.2	-7.3	0	0	0	103.8
632	F	22.6	Very low	27.1	Very low	180 Å²	180	150.2 Å²	150.2	79%	0.789	77%	0.773	S	S	*	*			trans	-4.6	142.4	155.4	-55.8	-80.9	0	0	0	118.9
633	S	23.3	Very low	27.1	Very low	99 Å²	99	145.7 Å²	145.7	69%	0.692	76%	0.763	S	S	*	*			cis	179.4	141.6	2.9	42.8	0	0	0	0	110.6
634	E	26.7	Very low	26.8	Very low	192 Å²	192	146.4 Å²	146.4	90%	0.897	75%	0.754	S	S	*	*			trans	-173.7	157.7	153.9	-115.1	165.1	-164.8	0	0	113.9
635	V	31	Very low	26.7	Very low	122 Å²	122	143.4 Å²	143.4	74%	0.739	75%	0.747	S	S	*	*			trans	66.3	60.6	168.8	-150	0	0	0	0	119.3
636	D	25	Very low	26.6	Very low	138 Å²	138	141.8 Å²	141.8	74%	0.738	74%	0.743	S	S	*	*				30.6	144.8	115.9	-62.4	-49.9	0	0	0	123.7
637	N	24.8	Very low	26.3	Very low	134 Å²	134	142.2 Å²	142.2	72%	0.717	74%	0.74	S	S	*	*			trans	66.6	90.1	145.8	-72.9	-44	0	0	0	120.5
638	M	26.6	Very low	26.5	Very low	184 Å²	184	140.9 Å²	140.9	91%	0.906	73%	0.733	S	S	*	*			trans	-129.6	78.4	137.7	-88.5	-163.7	-76.1	0	0	111.3	L640	M638-L640 PolarHBondContact O-N 2.96Å
639	N	24.4	Very low	26.3	Very low	134 Å²	134	139.1 Å²	139.1	72%	0.717	72%	0.722	S	S	*	*			trans	-78.9	82.6	-178	-168	-20.9	0	0	0	111.6	K641	N639-K641 VanDerWaalsContact C-N 3.29Å; N639-K641 PolarHBondContact O-N 2.85Å
640	L	27	Very low	26.4	Very low	121 Å²	121	140.7 Å²	140.7	63%	0.634	72%	0.723	S	S	*	*			trans	-78.7	72.7	179.4	-93.6	169.9	0	0	0	112.5	M638 Y642	M638-L640 PolarHBondContact O-N 2.96Å; L640-Y642 HydrophobicContact CB-CD2 4.48Å; L640-Y642 HydrophobicContact CB-CE2 4.3Å; L640-Y642 WeakPolarHBondContact O-CD2 3.15Å; L640-Y642 PolarHBondContact O-N 3.37Å
641	K	26.9	Very low	26.3	Very low	159 Å²	159	137.9 Å²	137.9	69%	0.691	72%	0.723	S	S	*	*			trans	-67.3	93.2	176.1	-165.6	170.2	-172.5	172.5	0	111.2	N639 N643	N639-K641 VanDerWaalsContact C-N 3.29Å; N639-K641 PolarHBondContact O-N 2.85Å; K641-N643 VanDerWaalsContact C-N 3.26Å; K641-N643 PolarHBondContact O-N 3.34Å
642	Y	25	Very low	26.3	Very low	174 Å²	174	139.8 Å²	139.8	68%	0.682	73%	0.733	S	S	*	*			trans	-71	69.9	-176.6	-93	-83	0	0	0	113.8	L640 F644	L640-Y642 HydrophobicContact CB-CD2 4.48Å; L640-Y642 HydrophobicContact CB-CE2 4.3Å; L640-Y642 WeakPolarHBondContact O-CD2 3.15Å; L640-Y642 PolarHBondContact O-N 3.37Å; Y642-F644 HydrophobicContact CD1-CE2 4.39Å; Y642-F644 PolarHBondContact O-N 2.96Å
643	N	24.2	Very low	26.6	Very low	127 Å²	127	139.2 Å²	139.2	68%	0.679	73%	0.732	S	S	*	*			trans	-70.5	88.2	168.8	-80.6	-7.9	0	0	0	110.8	K641 S645	K641-N643 VanDerWaalsContact C-N 3.26Å; K641-N643 PolarHBondContact O-N 3.34Å; N643-S645 VanDerWaalsContact C-N 3.27Å; N643-S645 PolarHBondContact O-N 2.88Å
644	F	25	Very low	26.9	Very low	139 Å²	139	140.1 Å²	140.1	61%	0.61	73%	0.729	S	S	*	*			trans	-65.1	90.9	159.2	-91	-88.3	0	0	0	109.3	Y642	Y642-F644 HydrophobicContact CD1-CE2 4.39Å; Y642-F644 PolarHBondContact O-N 2.96Å
645	S	25.7	Very low	26.9	Very low	101 Å²	101	138.4 Å²	138.4	71%	0.706	73%	0.726	S	S	*	*			trans	-90.7	125.6	163.7	-174.6	0	0	0	0	109	N643 N647	N643-S645 VanDerWaalsContact C-N 3.27Å; N643-S645 PolarHBondContact O-N 2.88Å; S645-N647 PolarHBondContact O-N 3.33Å; S645-N647 VanDerWaalsContact O-N 3.09Å
646	T	27.6	Very low	26.8	Very low	129 Å²	129	137 Å²	137	79%	0.791	71%	0.714	S	S	*	*	S	Bend	trans	-84.8	75.1	-178.9	50.1	0	0	0	0	111
647	N	26.5	Very low	26.9	Very low	106 Å²	106	140.9 Å²	140.9	57%	0.567	72%	0.718	S	S	*	*			trans	-170.5	162.2	154.7	-96.6	-34.4	0	0	0	111.2	T302 S645	T302-N647 PolarHBondContact OG1-OD1 2.87Å; S645-N647 PolarHBondContact O-N 3.33Å; S645-N647 VanDerWaalsContact O-N 3.09Å
648	N	30.2	Very low	27.2	Very low	132 Å²	132	139.9 Å²	139.9	71%	0.706	72%	0.721	S	S	*	*			trans	73.2	111.6	175.8	-53.7	-20.5	0	0	0	117	T650	N648-T650 PolarHBondContact O-N 3.13Å
649	K	29.5	Very low	27.5	Very low	166 Å²	166	134.8 Å²	134.8	72%	0.722	70%	0.704	S	S	*	*			trans	-86.1	90.5	164.2	-79.1	178.8	173.4	175.5	0	110.3	T310	T310-K649 HydrophobicContact CG2-CD 4.3Å; T310-K649 PolarHBondContact OG1-NZ 3.34Å
650	T	28.1	Very low	27.7	Very low	118 Å²	118	134 Å²	134	72%	0.724	70%	0.7	S	S	*	*			trans	-128.1	147.8	167.6	35.5	0	0	0	0	111.4	N648 L652	N648-T650 PolarHBondContact O-N 3.13Å; T650-L652 PolarHBondContact O-N 3.47Å
651	S	26.6	Very low	28.2	Very low	118 Å²	118	132.6 Å²	132.6	83%	0.825	69%	0.693	S	S	*	*			trans	-73.4	105.4	-170.6	-57.1	0	0	0	0	112.1	Q653	S651-Q653 PolarHBondContact O-N 2.96Å
652	L	26.4	Very low	28.6	Very low	163 Å²	163	128 Å²	128	85%	0.853	68%	0.68	S	S	*	*			trans	-74.9	90.2	170	-68.7	178.1	0	0	0	110.8	T650 L654	T650-L652 PolarHBondContact O-N 3.47Å; L652-L654 PolarHBondContact O-N 3.04Å
653	Q	28.4	Very low	29.1	Very low	167 Å²	167	123.5 Å²	123.5	78%	0.78	67%	0.668	S	S	*	*			trans	-59.8	115	160.6	-75.3	-82.2	16	0	0	109	S651	S651-Q653 PolarHBondContact O-N 2.96Å
654	L	29.1	Very low	29.8	Very low	119 Å²	119	123.2 Å²	123.2	62%	0.623	67%	0.666	S	S	*	*			trans	-91.3	104.9	170.4	-79.6	172	0	0	0	109.3	L652 L656	L652-L654 PolarHBondContact O-N 3.04Å; L654-L656 HydrophobicContact CB-CD1 3.88Å; L654-L656 PolarHBondContact O-N 3.2Å
655	N	26	Very low	30.6	Very low	156 Å²	156	120.3 Å²	120.3	83%	0.834	66%	0.663	S	S	*	*			trans	-71.5	62	172.8	-78.8	-14.3	0	0	0	112
656	L	30.7	Very low	31.3	Very low	92 Å²	92	118.4 Å²	118.4	48%	0.482	65%	0.647	S	S	.	*			trans	-67.3	128.5	157.4	-85.5	71.9	0	0	0	107.4	L654 S658 L661	L654-L656 HydrophobicContact CB-CD1 3.88Å; L654-L656 PolarHBondContact O-N 3.2Å; L656-S658 PolarHBondContact O-N 2.87Å; L656-S658 VanDerWaalsContact O-N 3.17Å; L656-L661 HydrophobicContact CB-CD1 3.92Å; L656-L661 HydrophobicContact CB-CG 4.16Å; L656-L661 HydrophobicContact CD2-CD2 4.11Å; L656-L661 HydrophobicContact CD2-CG 4.31Å
657	R	26.4	Very low	32.2	Very low	219 Å²	219	118 Å²	118	83%	0.826	63%	0.634	S	S	*	*			trans	-46.7	123.7	176.5	-74.1	178.2	172.2	142.4	-3.1	110.1	S659 N660	R657-S659 PolarHBondContact O-N 3.27Å; R657-N660 PolarHBondContact O-N 3.18Å; R657-N660 VanDerWaalsContact O-N 3.16Å
658	S	30.5	Very low	33.2	Very low	113 Å²	113	118.3 Å²	118.3	79%	0.79	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-11.9	-161.4	-44.6	0	0	0	0	115.6	L656	L656-S658 PolarHBondContact O-N 2.87Å; L656-S658 VanDerWaalsContact O-N 3.17Å
659	S	32.5	Very low	34.1	Very low	78 Å²	78	114.7 Å²	114.7	55%	0.545	62%	0.615	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.8	-25.4	176.2	55.6	0	0	0	0	114.7	R657 S662	R657-S659 PolarHBondContact O-N 3.27Å; S659-S662 PolarHBondContact O-OG 3.27Å
660	N	30.2	Very low	34.6	Very low	118 Å²	118	112.2 Å²	112.2	63%	0.631	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	-9.2	-169.1	-66.4	7.2	0	0	0	114.1	R657	R657-N660 PolarHBondContact O-N 3.18Å; R657-N660 VanDerWaalsContact O-N 3.16Å
661	L	35.8	Very low	35.6	Very low	91 Å²	91	107.7 Å²	107.7	48%	0.476	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.7	-24.7	-178.3	-82.8	173.9	0	0	0	113.9	L656	L656-L661 HydrophobicContact CB-CD1 3.92Å; L656-L661 HydrophobicContact CB-CG 4.16Å; L656-L661 HydrophobicContact CD2-CD2 4.11Å; L656-L661 HydrophobicContact CD2-CG 4.31Å
662	S	35.1	Very low	36.8	Very low	61 Å²	61	105 Å²	105	43%	0.427	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.8	-54.7	173.3	44.3	0	0	0	0	111.3	S659 L664 S665 T666	S659-S662 PolarHBondContact O-OG 3.27Å; S662-L664 VanDerWaalsContact C-N 3.28Å; S662-L664 PolarHBondContact O-N 2.95Å; S662-S665 WeakPolarHBondContact O-CA 3.46Å; S662-S665 VanDerWaalsContact O-CB 3.29Å; S662-S665 WeakPolarHBondContact O-CB 3.28Å; S662-S665 PolarHBondContact O-N 3.04Å; S662-T666 PolarHBondContact O-N 2.92Å; S662-T666 PolarHBondContact O-OG1 3.28Å
663	D	36.6	Very low	37.8	Very low	81 Å²	81	102.4 Å²	102.4	43%	0.433	54%	0.543	S	S	.	.	H	α-helix	trans	-65.3	-29.8	-171.5	-79.5	42	0	0	0	113.4	S665 T666 K667	D663-S665 VanDerWaalsContact C-N 3.29Å; D663-T666 WeakPolarHBondContact CA-OG1 3.31Å; D663-T666 PolarHBondContact O-OG1 2.94Å; D663-K667 VanDerWaalsContact O-CB 3.31Å; D663-K667 WeakPolarHBondContact O-CB 3.45Å; D663-K667 VanDerWaalsContact O-CD 3.27Å; D663-K667 WeakPolarHBondContact O-CD 3.41Å; D663-K667 WeakPolarHBondContact O-CG 3.37Å; D663-K667 PolarHBondContact O-N 3.38Å; D663-K667 IonicContact OD2-NZ 2.67Å
664	L	39	Very low	39	Very low	121 Å²	121	96.3 Å²	96.3	63%	0.634	52%	0.517	S	S	*	.	H	α-helix	trans	-82.4	-11.1	176.9	-146.4	73.5	0	0	0	112.7	S662	S662-L664 VanDerWaalsContact C-N 3.28Å; S662-L664 PolarHBondContact O-N 2.95Å
665	S	41.7	Very low	40.5	Very low	77 Å²	77	91.8 Å²	91.8	54%	0.538	50%	0.496	S	S	.	.	H	α-helix	trans	-91.2	-47.8	173.1	-163.5	0	0	0	0	111.1	S662 D663 K668 S669	S662-S665 WeakPolarHBondContact O-CA 3.46Å; S662-S665 VanDerWaalsContact O-CB 3.29Å; S662-S665 WeakPolarHBondContact O-CB 3.28Å; S662-S665 PolarHBondContact O-N 3.04Å; D663-S665 VanDerWaalsContact C-N 3.29Å; S665-K668 WeakPolarHBondContact O-CA 3.29Å; S665-K668 WeakPolarHBondContact O-CB 3.4Å; S665-K668 PolarHBondContact O-N 3.22Å; S665-S669 PolarHBondContact O-N 2.94Å; S665-S669 PolarHBondContact O-OG 3.48Å
666	T	41.1	Very low	42.2	Very low	61 Å²	61	89.2 Å²	89.2	37%	0.374	48%	0.481	S	S	.	.	H	α-helix	trans	-60.2	-51.9	178.3	51.9	0	0	0	0	111.9	S662 D663 K668 S669 E670	S662-T666 PolarHBondContact O-N 2.92Å; S662-T666 PolarHBondContact O-OG1 3.28Å; D663-T666 WeakPolarHBondContact CA-OG1 3.31Å; D663-T666 PolarHBondContact O-OG1 2.94Å; T666-K668 PolarHBondContact O-N 3.43Å; T666-K668 VanDerWaalsContact O-N 3.11Å; T666-S669 WeakPolarHBondContact CA-OG 3.28Å; T666-S669 PolarHBondContact O-N 3.26Å; T666-S669 PolarHBondContact O-OG 3.5Å; T666-E670 WeakPolarHBondContact CB-OE1 3.31Å; T666-E670 WeakPolarHBondContact O-CG 3.49Å; T666-E670 PolarHBondContact O-N 3.47Å
667	K	45.9	Very low	44.2	Very low	121 Å²	121	93.6 Å²	93.6	53%	0.526	49%	0.491	S	S	.	.	H	α-helix	trans	-57.2	-28.2	173.6	-68.8	168.8	-173.1	149.7	0	112.3	D663 A671	D663-K667 VanDerWaalsContact O-CB 3.31Å; D663-K667 WeakPolarHBondContact O-CB 3.45Å; D663-K667 VanDerWaalsContact O-CD 3.27Å; D663-K667 WeakPolarHBondContact O-CD 3.41Å; D663-K667 WeakPolarHBondContact O-CG 3.37Å; D663-K667 PolarHBondContact O-N 3.38Å; D663-K667 IonicContact OD2-NZ 2.67Å; K667-A671 WeakPolarHBondContact O-CB 3.26Å; K667-A671 PolarHBondContact O-N 2.86Å; K667-A671 VanDerWaalsContact O-N 3.12Å
668	K	46.9	Very low	46.2	Very low	113 Å²	113	84.7 Å²	84.7	49%	0.491	46%	0.461	S	S	.	.	H	α-helix	trans	-70.4	-50.3	173.6	-125.2	166.1	-171.6	156.6	0	111.3	S665 T666 M672	S665-K668 WeakPolarHBondContact O-CA 3.29Å; S665-K668 WeakPolarHBondContact O-CB 3.4Å; S665-K668 PolarHBondContact O-N 3.22Å; T666-K668 PolarHBondContact O-N 3.43Å; T666-K668 VanDerWaalsContact O-N 3.11Å; K668-M672 HydrophobicContact CB-CE 4.2Å; K668-M672 HydrophobicContact CG-CE 4.36Å; K668-M672 WeakPolarHBondContact O-CE 3.37Å; K668-M672 WeakPolarHBondContact O-CG 3.5Å; K668-M672 PolarHBondContact O-N 2.89Å
669	S	48.7	Very low	48.2	Very low	55 Å²	55	83.3 Å²	83.3	39%	0.385	45%	0.452	S	S	.	.	H	α-helix	trans	-58.8	-49.6	175.6	26.6	0	0	0	0	112.1	S665 T666 A671 M672 D673	S665-S669 PolarHBondContact O-N 2.94Å; S665-S669 PolarHBondContact O-OG 3.48Å; T666-S669 WeakPolarHBondContact CA-OG 3.28Å; T666-S669 PolarHBondContact O-N 3.26Å; T666-S669 PolarHBondContact O-OG 3.5Å; S669-A671 VanDerWaalsContact C-N 3.35Å; S669-A671 PolarHBondContact O-N 3.09Å; S669-M672 PolarHBondContact O-N 3.08Å; S669-D673 PolarHBondContact O-N 3.49Å
670	E	41.3	Very low	50.1	Low	115 Å²	115	84.8 Å²	84.8	54%	0.537	45%	0.454	S	S	.	.	H	α-helix	trans	-56.7	-47.2	180	-69.9	154.5	-152.5	0	0	111.3	T666 M672 D673 T674	T666-E670 WeakPolarHBondContact CB-OE1 3.31Å; T666-E670 WeakPolarHBondContact O-CG 3.49Å; T666-E670 PolarHBondContact O-N 3.47Å; E670-M672 VanDerWaalsContact C-N 3.34Å; E670-M672 PolarHBondContact O-N 3.43Å; E670-D673 PolarHBondContact O-N 3.32Å; E670-T674 VanDerWaalsContact O-CG2 3.28Å; E670-T674 WeakPolarHBondContact O-CG2 3.39Å; E670-T674 PolarHBondContact O-N 3.32Å
671	A	49.3	Very low	52.4	Low	22 Å²	22	81.1 Å²	81.1	18%	0.182	44%	0.443	C	S	.	.	H	α-helix	trans	-60	-37.2	178.9	0	0	0	0	0	113.6	K667 S669 T674 Y702	K667-A671 WeakPolarHBondContact O-CB 3.26Å; K667-A671 PolarHBondContact O-N 2.86Å; K667-A671 VanDerWaalsContact O-N 3.12Å; S669-A671 VanDerWaalsContact C-N 3.35Å; S669-A671 PolarHBondContact O-N 3.09Å; A671-T674 WeakPolarHBondContact O-CB 3.48Å; A671-T674 WeakPolarHBondContact O-CG2 3.25Å; A671-T674 PolarHBondContact O-OG1 2.89Å; A671-Y702 HydrophobicContact CB-CE1 4.02Å
672	M	51.3	Low	54.8	Low	61 Å²	61	79.6 Å²	79.6	30%	0.3	44%	0.435	S	S	.	.	H	α-helix	trans	-84.5	-25.5	176.2	19.6	174.6	176.5	0	0	114.4	K668 S669 E670 T674 S675 T699	K668-M672 HydrophobicContact CB-CE 4.2Å; K668-M672 HydrophobicContact CG-CE 4.36Å; K668-M672 WeakPolarHBondContact O-CE 3.37Å; K668-M672 WeakPolarHBondContact O-CG 3.5Å; K668-M672 PolarHBondContact O-N 2.89Å; S669-M672 PolarHBondContact O-N 3.08Å; E670-M672 VanDerWaalsContact C-N 3.34Å; E670-M672 PolarHBondContact O-N 3.43Å; M672-T674 PolarHBondContact O-N 2.83Å; M672-S675 VanDerWaalsContact O-CB 3.27Å; M672-S675 WeakPolarHBondContact O-CB 3.13Å; M672-S675 PolarHBondContact O-N 2.94Å; M672-S675 VanDerWaalsContact O-N 3.16Å; M672-T699 HydrophobicContact SD-CG2 4.42Å
673	D	46.6	Very low	57.2	Low	110 Å²	110	79.8 Å²	79.8	59%	0.588	43%	0.427	S	S	*	.	H	α-helix	trans	-69.1	-12.8	169.9	-91.4	-4.8	0	0	0	112.6	S669 E670 S675 R695	S669-D673 PolarHBondContact O-N 3.49Å; E670-D673 PolarHBondContact O-N 3.32Å; D673-S675 PolarHBondContact O-N 3.38Å; D673-S675 VanDerWaalsContact O-N 3.15Å; D673-R695 IonicContact OD1-CZ 3.1Å; D673-R695 IonicContact OD1-NH1 3.35Å; D673-R695 PolarHBondContact OD1-NH1 3.23Å; D673-R695 IonicContact OD1-NH2 3.86Å; D673-R695 PolarHBondContact OD1-NH2 3.39Å
674	T	53.8	Low	59.6	Low	39 Å²	39	79.5 Å²	79.5	24%	0.239	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-15.9	167.2	78	0	0	0	0	114	E670 A671 M672 L676 R686	E670-T674 VanDerWaalsContact O-CG2 3.28Å; E670-T674 WeakPolarHBondContact O-CG2 3.39Å; E670-T674 PolarHBondContact O-N 3.32Å; A671-T674 WeakPolarHBondContact O-CB 3.48Å; A671-T674 WeakPolarHBondContact O-CG2 3.25Å; A671-T674 PolarHBondContact O-OG1 2.89Å; M672-T674 PolarHBondContact O-N 2.83Å; T674-L676 PolarHBondContact O-N 3.28Å; T674-R686 PolarHBondContact O-NE 3.44Å; T674-R686 PolarHBondContact O-NH2 3.28Å
675	S	62	Low	61.9	Low	24 Å²	24	73.8 Å²	73.8	17%	0.168	39%	0.392	C	S	.	.			trans	-55.8	106.1	-178.5	169.5	0	0	0	0	113.8	M672 D673 R677 L698	M672-S675 VanDerWaalsContact O-CB 3.27Å; M672-S675 WeakPolarHBondContact O-CB 3.13Å; M672-S675 PolarHBondContact O-N 2.94Å; M672-S675 VanDerWaalsContact O-N 3.16Å; D673-S675 PolarHBondContact O-N 3.38Å; D673-S675 VanDerWaalsContact O-N 3.15Å; S675-R677 PolarHBondContact O-N 3.03Å; S675-L698 VanDerWaalsContact CB-CD2 3.44Å; S675-L698 WeakPolarHBondContact OG-CD2 3.48Å
676	L	60.4	Low	63.9	Low	102 Å²	102	76.8 Å²	76.8	53%	0.534	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	117.1	172.1	-67.5	172.1	0	0	0	110.3	T674 T678 K684	T674-L676 PolarHBondContact O-N 3.28Å; L676-T678 PolarHBondContact O-N 3.29Å; L676-K684 HydrophobicContact CB-CB 4.47Å; L676-K684 VanDerWaalsContact O-CB 3.31Å; L676-K684 WeakPolarHBondContact O-CB 3.44Å; L676-K684 PolarHBondContact O-N 3.47Å
677	R	72.7	Confident	65.9	Low	184 Å²	184	77.8 Å²	77.8	69%	0.694	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	117.4	163.3	-175.6	174	65.7	175.9	-1.6	108.1	S675	S675-R677 PolarHBondContact O-N 3.03Å
678	T	69.6	Low	67.8	Low	32 Å²	32	74.9 Å²	74.9	20%	0.196	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-67.1	166.6	176.2	56.1	0	0	0	0	112	L676 D680 G681 L682 K684 L691	L676-T678 PolarHBondContact O-N 3.29Å; T678-D680 PolarHBondContact O-N 3.12Å; T678-G681 PolarHBondContact O-N 3.4Å; T678-L682 PolarHBondContact N-O 3.39Å; T678-L682 PolarHBondContact OG1-N 3.05Å; T678-L682 PolarHBondContact OG1-O 2.92Å; T678-K684 HydrophobicContact CG2-CB 4.17Å; T678-K684 HydrophobicContact CG2-CD 4.35Å; T678-L691 HydrophobicContact CG2-CD2 3.63Å
679	S	72.2	Confident	69.6	Low	84 Å²	84	76.5 Å²	76.5	59%	0.587	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-29.1	172.3	48.1	0	0	0	0	113.2	K410 G681	K410-S679 WeakPolarHBondContact CE-O 3.46Å; K410-S679 PolarHBondContact NZ-O 3.35Å; S679-G681 VanDerWaalsContact C-N 3.34Å
680	D	70.8	Confident	71.4	Confident	109 Å²	109	82 Å²	82	58%	0.583	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	13.6	-167.3	-44.2	-26.6	0	0	0	111.4	T678 L682	T678-D680 PolarHBondContact O-N 3.12Å; D680-L682 PolarHBondContact O-N 3.37Å
681	G	80.4	Confident	73.6	Confident	40 Å²	40	80.2 Å²	80.2	41%	0.412	40%	0.401	S	S	.	.	S	Bend	trans	83	-11	178.4	0	0	0	0	0	114.8	T678 S679	T678-G681 PolarHBondContact O-N 3.4Å; S679-G681 VanDerWaalsContact C-N 3.34Å
682	L	85.9	Confident	75.4	Confident	60 Å²	60	80.7 Å²	80.7	31%	0.314	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-78.3	142.5	-177.6	-53.7	177	0	0	0	112.1	T678 D680 L691 F692 A693	T678-L682 PolarHBondContact N-O 3.39Å; T678-L682 PolarHBondContact OG1-N 3.05Å; T678-L682 PolarHBondContact OG1-O 2.92Å; D680-L682 PolarHBondContact O-N 3.37Å; L682-L691 HydrophobicContact CB-CB 4.13Å; L682-L691 HydrophobicContact CD1-CB 4.05Å; L682-L691 HydrophobicContact CD1-CD1 4.01Å; L682-F692 CarbonylContact C-O 3.47Å; L682-F692 WeakPolarHBondContact CA-O 3.19Å; L682-A693 HydrophobicContact CD2-CB 4.43Å
683	Y	85.5	Confident	77.1	Confident	65 Å²	65	81.5 Å²	81.5	26%	0.255	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	124.7	177.5	-67.4	-100.5	0	0	0	110.2	L691 F692 N694 R695	Y683-L691 CarbonylContact O-C 3.59Å; Y683-L691 WeakPolarHBondContact O-CA 3.43Å; Y683-F692 PolarHBondContact N-O 3.48Å; Y683-F692 PolarHBondContact O-N 3.46Å; Y683-N694 VanDerWaalsContact CD2-C 3.5Å; Y683-R695 HydrophobicContact CD1-CB 4.08Å; Y683-R695 HydrophobicContact CD1-CG 4.43Å; Y683-R695 HydrophobicContact CE1-CB 3.76Å; Y683-R695 HydrophobicContact CE1-CG 4.26Å
684	K	85.7	Confident	79	Confident	75 Å²	75	79.4 Å²	79.4	33%	0.326	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	123.6	-177.8	-171.7	168.1	-172.5	173.5	0	111.7	L676 T678 R686 K689 L691	L676-K684 HydrophobicContact CB-CB 4.47Å; L676-K684 VanDerWaalsContact O-CB 3.31Å; L676-K684 WeakPolarHBondContact O-CB 3.44Å; L676-K684 PolarHBondContact O-N 3.47Å; T678-K684 HydrophobicContact CG2-CB 4.17Å; T678-K684 HydrophobicContact CG2-CD 4.35Å; K684-R686 PolarHBondContact O-N 2.83Å; K684-K689 VanDerWaalsContact CE-O 3.28Å; K684-K689 WeakPolarHBondContact CE-O 3.34Å; K684-K689 WeakPolarHBondContact CG-O 3.29Å; K684-L691 HydrophobicContact CB-CD2 3.65Å; K684-L691 HydrophobicContact CD-CD2 4Å; K684-L691 HydrophobicContact CG-CD2 3.73Å
685	C	87.8	Confident	80.6	Confident	1 Å²	1	82.4 Å²	82.4	1%	0.007	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-63.8	129	169.2	-176.3	0	0	0	0	110.1	I687 K689 R690 F692 L698 H701 H705	C685-I687 VanDerWaalsContact C-N 3.28Å; C685-I687 PolarHBondContact O-N 2.84Å; C685-K689 WeakPolarHBondContact O-CA 3.43Å; C685-K689 PolarHBondContact O-N 3.43Å; C685-K689 VanDerWaalsContact O-N 3.09Å; C685-R690 PolarHBondContact N-O 3.25Å; C685-F692 HydrophobicContact CB-CE2 4.26Å; C685-L698 HydrophobicContact CB-CD1 3.6Å; C685-H701 PolarHBondContact SG-NE2 3.23Å; C685-H701 VanDerWaalsContact SG-NE2 3.37Å; C685-H705 VanDerWaalsContact SG-CD2 3.58Å
686	R	83.4	Confident	81.7	Confident	139 Å²	139	90.4 Å²	90.4	53%	0.525	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-25.1	177.3	-77.1	-145.9	-177.3	165.8	13.9	113.7	T674 K684	T674-R686 PolarHBondContact O-NE 3.44Å; T674-R686 PolarHBondContact O-NH2 3.28Å; K684-R686 PolarHBondContact O-N 2.83Å
687	I	82.8	Confident	82.9	Confident	82 Å²	82	87.9 Å²	87.9	42%	0.421	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-79.8	-176.2	-56.9	172.1	0	0	0	109.7	C685 K689 Y702 H705	C685-I687 VanDerWaalsContact C-N 3.28Å; C685-I687 PolarHBondContact O-N 2.84Å; I687-K689 VanDerWaalsContact C-N 3.31Å; I687-K689 PolarHBondContact O-N 2.85Å; I687-Y702 HydrophobicContact CD1-CD2 4.24Å; I687-Y702 HydrophobicContact CD1-CE2 3.57Å; I687-Y702 HydrophobicContact CG1-CE2 4.08Å; I687-H705 HydrophobicContact CD1-CB 3.56Å; I687-H705 HydrophobicContact CG2-CB 4.46Å
688	C	86.9	Confident	83.7	Confident	60 Å²	60	79.5 Å²	79.5	41%	0.405	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	7.4	179.5	71.4	0	0	0	0	115.9	R690 H701 H705	C688-R690 PolarHBondContact O-N 2.85Å; C688-R690 VanDerWaalsContact SG-CB 3.57Å; C688-H701 PolarHBondContact SG-CE1 2.89Å; C688-H701 PolarHBondContact SG-NE2 3.28Å; C688-H705 PolarHBondContact SG-NE2 2.88Å
689	K	85.3	Confident	84.4	Confident	147 Å²	147	80 Å²	80	64%	0.639	40%	0.402	S	S	*	.			trans	62.3	4.4	175.8	-60.5	165.7	-171.7	168.4	0	115.7	K684 C685 I687	K684-K689 VanDerWaalsContact CE-O 3.28Å; K684-K689 WeakPolarHBondContact CE-O 3.34Å; K684-K689 WeakPolarHBondContact CG-O 3.29Å; C685-K689 WeakPolarHBondContact O-CA 3.43Å; C685-K689 PolarHBondContact O-N 3.43Å; C685-K689 VanDerWaalsContact O-N 3.09Å; I687-K689 VanDerWaalsContact C-N 3.31Å; I687-K689 PolarHBondContact O-N 2.85Å
690	R	84.9	Confident	85	Confident	170 Å²	170	77.8 Å²	77.8	64%	0.642	39%	0.393	S	S	*	.			trans	-66.9	147.3	178.7	-161.5	171.5	-166.9	172	5.8	112.2	C685 C688 F692	C685-R690 PolarHBondContact N-O 3.25Å; C688-R690 PolarHBondContact O-N 2.85Å; C688-R690 VanDerWaalsContact SG-CB 3.57Å; R690-F692 HydrophobicContact CB-CE2 3.86Å; R690-F692 HydrophobicContact CB-CZ 4.12Å; R690-F692 HydrophobicContact CG-CE2 4.08Å; R690-F692 HydrophobicContact CG-CZ 3.95Å; R690-F692 WeakPolarHBondContact O-CE2 3.24Å
691	L	87.7	Confident	85.6	Confident	78 Å²	78	73.8 Å²	73.8	41%	0.408	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	142.4	-174.5	-58	-177.9	0	0	0	112.2	T678 L682 Y683 K684	T678-L691 HydrophobicContact CG2-CD2 3.63Å; L682-L691 HydrophobicContact CB-CB 4.13Å; L682-L691 HydrophobicContact CD1-CB 4.05Å; L682-L691 HydrophobicContact CD1-CD1 4.01Å; Y683-L691 CarbonylContact O-C 3.59Å; Y683-L691 WeakPolarHBondContact O-CA 3.43Å; K684-L691 HydrophobicContact CB-CD2 3.65Å; K684-L691 HydrophobicContact CD-CD2 4Å; K684-L691 HydrophobicContact CG-CD2 3.73Å
692	F	88.6	Confident	85.7	Confident	33 Å²	33	73.7 Å²	73.7	15%	0.145	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	140.9	-176.5	-62.7	-87.3	0	0	0	111.9	L682 Y683 C685 R690 N694 L698 H701	L682-F692 CarbonylContact C-O 3.47Å; L682-F692 WeakPolarHBondContact CA-O 3.19Å; Y683-F692 PolarHBondContact N-O 3.48Å; Y683-F692 PolarHBondContact O-N 3.46Å; C685-F692 HydrophobicContact CB-CE2 4.26Å; R690-F692 HydrophobicContact CB-CE2 3.86Å; R690-F692 HydrophobicContact CB-CZ 4.12Å; R690-F692 HydrophobicContact CG-CE2 4.08Å; R690-F692 HydrophobicContact CG-CZ 3.95Å; R690-F692 WeakPolarHBondContact O-CE2 3.24Å; F692-N694 PolarHBondContact O-N 3.15Å; F692-L698 HydrophobicContact CB-CB 4.19Å; F692-L698 HydrophobicContact CD2-CB 4.23Å; F692-L698 HydrophobicContact CD2-CD1 3.8Å; F692-L698 HydrophobicContact CE2-CD1 4.1Å; F692-L698 HydrophobicContact CG-CB 4.28Å; F692-H701 HydrophobicContact CE1-CB 3.76Å; F692-H701 AromaticContact CE1-CG 3.97Å; F692-H701 HydrophobicContact CE2-CB 4.24Å; F692-H701 AromaticContact CE2-CD2 3.13Å; F692-H701 WeakPolarHBondContact CE2-CD2 3.49Å; F692-H701 AromaticContact CE2-CG 3.81Å; F692-H701 AromaticContact CE2-NE2 3.81Å; F692-H701 HydrophobicContact CZ-CB 3.59Å; F692-H701 AromaticContact CZ-CD2 3.1Å; F692-H701 WeakPolarHBondContact CZ-CD2 3.25Å; F692-H701 AromaticContact CZ-CG 3.27Å; F692-H701 AromaticContact CZ-NE2 3.81Å
693	A	86.9	Confident	85.3	Confident	78 Å²	78	75.7 Å²	75.7	65%	0.645	36%	0.364	S	S	*	.	S	Bend	trans	-67.7	-16.7	-176.6	0	0	0	0	0	114.8	L682	L682-A693 HydrophobicContact CD2-CB 4.43Å
694	N	85.7	Confident	84.8	Confident	66 Å²	66	74.9 Å²	74.9	35%	0.353	37%	0.368	S	S	.	.	S	Bend	trans	-157.1	162.1	-179.9	64.2	74.1	0	0	0	111.7	Y683 F692 Y696 S697 L698	Y683-N694 VanDerWaalsContact CD2-C 3.5Å; F692-N694 PolarHBondContact O-N 3.15Å; N694-Y696 VanDerWaalsContact C-N 3.3Å; N694-Y696 PolarHBondContact O-N 2.91Å; N694-Y696 WeakPolarHBondContact OD1-CA 3.44Å; N694-Y696 WeakPolarHBondContact OD1-CB 3.28Å; N694-Y696 PolarHBondContact OD1-N 2.84Å; N694-S697 PolarHBondContact ND2-OG 3.22Å; N694-S697 PolarHBondContact O-N 3.44Å; N694-S697 PolarHBondContact OD1-N 2.86Å; N694-S697 PolarHBondContact OD1-OG 3.2Å; N694-L698 PolarHBondContact O-N 3.12Å
695	R	87.6	Confident	84.4	Confident	101 Å²	101	74.1 Å²	74.1	38%	0.381	37%	0.365	S	S	.	.	H	α-helix	trans	-61.8	-31.9	-179.4	-167	170.5	174.9	150.4	3.4	112.9	D673 Y683 L698 T699	D673-R695 IonicContact OD1-CZ 3.1Å; D673-R695 IonicContact OD1-NH1 3.35Å; D673-R695 PolarHBondContact OD1-NH1 3.23Å; D673-R695 IonicContact OD1-NH2 3.86Å; D673-R695 PolarHBondContact OD1-NH2 3.39Å; Y683-R695 HydrophobicContact CD1-CB 4.08Å; Y683-R695 HydrophobicContact CD1-CG 4.43Å; Y683-R695 HydrophobicContact CE1-CB 3.76Å; Y683-R695 HydrophobicContact CE1-CG 4.26Å; R695-L698 PolarHBondContact O-N 2.79Å; R695-T699 PolarHBondContact O-N 2.86Å; R695-T699 PolarHBondContact O-OG1 3.14Å; R695-T699 VanDerWaalsContact O-OG1 3.06Å
696	Y	84.2	Confident	83.3	Confident	192 Å²	192	78.4 Å²	78.4	75%	0.753	38%	0.382	S	S	*	.	H	α-helix	trans	-67.4	-46.1	179	176.4	-89.6	0	0	0	112.3	N694 L698 T699 G700	N694-Y696 VanDerWaalsContact C-N 3.3Å; N694-Y696 PolarHBondContact O-N 2.91Å; N694-Y696 WeakPolarHBondContact OD1-CA 3.44Å; N694-Y696 WeakPolarHBondContact OD1-CB 3.28Å; N694-Y696 PolarHBondContact OD1-N 2.84Å; Y696-L698 VanDerWaalsContact C-N 3.3Å; Y696-L698 PolarHBondContact O-N 3.44Å; Y696-T699 PolarHBondContact O-N 2.85Å; Y696-G700 PolarHBondContact O-N 2.89Å
697	S	86.8	Confident	81.9	Confident	49 Å²	49	76.8 Å²	76.8	34%	0.343	38%	0.381	S	S	.	.	H	α-helix	trans	-61.5	-38.7	173.7	-62.5	0	0	0	0	111.6	N694 H701	N694-S697 PolarHBondContact ND2-OG 3.22Å; N694-S697 PolarHBondContact O-N 3.44Å; N694-S697 PolarHBondContact OD1-N 2.86Å; N694-S697 PolarHBondContact OD1-OG 3.2Å; S697-H701 WeakPolarHBondContact O-CB 3.49Å; S697-H701 PolarHBondContact O-N 3.17Å; S697-H701 VanDerWaalsContact O-N 3.08Å
698	L	89.4	Confident	80.3	Confident	8 Å²	8	77.6 Å²	77.6	4%	0.042	39%	0.391	C	S	.	.	H	α-helix	trans	-63.4	-49.8	171.2	175.6	61.4	0	0	0	111.6	S675 C685 F692 N694 R695 Y696 G700 H701 Y702	S675-L698 VanDerWaalsContact CB-CD2 3.44Å; S675-L698 WeakPolarHBondContact OG-CD2 3.48Å; C685-L698 HydrophobicContact CB-CD1 3.6Å; F692-L698 HydrophobicContact CB-CB 4.19Å; F692-L698 HydrophobicContact CD2-CB 4.23Å; F692-L698 HydrophobicContact CD2-CD1 3.8Å; F692-L698 HydrophobicContact CE2-CD1 4.1Å; F692-L698 HydrophobicContact CG-CB 4.28Å; N694-L698 PolarHBondContact O-N 3.12Å; R695-L698 PolarHBondContact O-N 2.79Å; Y696-L698 VanDerWaalsContact C-N 3.3Å; Y696-L698 PolarHBondContact O-N 3.44Å; L698-G700 VanDerWaalsContact C-N 3.28Å; L698-G700 PolarHBondContact O-N 3.23Å; L698-H701 CarbonylContact O-C 3.57Å; L698-H701 PolarHBondContact O-N 3.27Å; L698-H701 VanDerWaalsContact O-N 3.1Å; L698-Y702 WeakPolarHBondContact O-CB 3.17Å; L698-Y702 PolarHBondContact O-N 3.36Å
699	T	84.6	Confident	78.7	Confident	43 Å²	43	78.6 Å²	78.6	26%	0.264	40%	0.398	S	S	.	.	H	α-helix	trans	-60.7	-37.2	179.9	-62.2	0	0	0	0	112.1	M672 R695 Y696 Y702 K703	M672-T699 HydrophobicContact SD-CG2 4.42Å; R695-T699 PolarHBondContact O-N 2.86Å; R695-T699 PolarHBondContact O-OG1 3.14Å; R695-T699 VanDerWaalsContact O-OG1 3.06Å; Y696-T699 PolarHBondContact O-N 2.85Å; T699-Y702 PolarHBondContact O-N 2.88Å; T699-K703 WeakPolarHBondContact O-CG 3.46Å; T699-K703 PolarHBondContact O-N 3.44Å
700	G	83.3	Confident	77.4	Confident	37 Å²	37	75.6 Å²	75.6	38%	0.381	39%	0.387	S	S	.	.	H	α-helix	trans	-64	-39.6	173.6	0	0	0	0	0	113.1	Y696 L698	Y696-G700 PolarHBondContact O-N 2.89Å; L698-G700 VanDerWaalsContact C-N 3.28Å; L698-G700 PolarHBondContact O-N 3.23Å
701	H	85.2	Confident	76.6	Confident	25 Å²	25	70 Å²	70	12%	0.116	37%	0.367	C	S	.	.	H	α-helix	trans	-75	-35.6	174.1	161.6	55.1	0	0	0	113.3	C685 C688 F692 S697 L698 K703 S704 H705	C685-H701 PolarHBondContact SG-NE2 3.23Å; C685-H701 VanDerWaalsContact SG-NE2 3.37Å; C688-H701 PolarHBondContact SG-CE1 2.89Å; C688-H701 PolarHBondContact SG-NE2 3.28Å; F692-H701 HydrophobicContact CE1-CB 3.76Å; F692-H701 AromaticContact CE1-CG 3.97Å; F692-H701 HydrophobicContact CE2-CB 4.24Å; F692-H701 AromaticContact CE2-CD2 3.13Å; F692-H701 WeakPolarHBondContact CE2-CD2 3.49Å; F692-H701 AromaticContact CE2-CG 3.81Å; F692-H701 AromaticContact CE2-NE2 3.81Å; F692-H701 HydrophobicContact CZ-CB 3.59Å; F692-H701 AromaticContact CZ-CD2 3.1Å; F692-H701 WeakPolarHBondContact CZ-CD2 3.25Å; F692-H701 AromaticContact CZ-CG 3.27Å; F692-H701 AromaticContact CZ-NE2 3.81Å; S697-H701 WeakPolarHBondContact O-CB 3.49Å; S697-H701 PolarHBondContact O-N 3.17Å; S697-H701 VanDerWaalsContact O-N 3.08Å; L698-H701 CarbonylContact O-C 3.57Å; L698-H701 PolarHBondContact O-N 3.27Å; L698-H701 VanDerWaalsContact O-N 3.1Å; H701-K703 PolarHBondContact O-N 2.97Å; H701-S704 PolarHBondContact ND1-OG 2.92Å; H701-S704 WeakPolarHBondContact O-CA 3.44Å; H701-S704 WeakPolarHBondContact O-CB 3.27Å; H701-S704 PolarHBondContact O-N 3.46Å; H701-S704 PolarHBondContact O-OG 3.34Å; H701-H705 AromaticContact CE1-CD2 3.73Å; H701-H705 AromaticContact CE1-CE1 3.88Å; H701-H705 AromaticContact CE1-NE2 3.17Å; H701-H705 PolarHBondContact CE1-NE2 3.19Å; H701-H705 AromaticContact NE2-CD2 3.8Å; H701-H705 AromaticContact NE2-NE2 3.27Å; H701-H705 PolarHBondContact NE2-NE2 3.5Å
702	Y	80.7	Confident	76	Confident	39 Å²	39	70.6 Å²	70.6	15%	0.153	38%	0.376	C	S	.	.	H	α-helix	trans	-61.9	-32.3	-179.9	-164.7	-114.1	0	0	0	111.1	A671 I687 L698 T699 S704 H705 Y706	A671-Y702 HydrophobicContact CB-CE1 4.02Å; I687-Y702 HydrophobicContact CD1-CD2 4.24Å; I687-Y702 HydrophobicContact CD1-CE2 3.57Å; I687-Y702 HydrophobicContact CG1-CE2 4.08Å; L698-Y702 WeakPolarHBondContact O-CB 3.17Å; L698-Y702 PolarHBondContact O-N 3.36Å; T699-Y702 PolarHBondContact O-N 2.88Å; Y702-S704 PolarHBondContact O-N 3.49Å; Y702-H705 PolarHBondContact O-N 2.86Å; Y702-H705 VanDerWaalsContact O-N 3.13Å; Y702-Y706 AromaticContact CD1-CE2 3.86Å; Y702-Y706 HydrophobicContact CD1-CE2 3.86Å; Y702-Y706 AromaticContact CE1-CE2 3.66Å; Y702-Y706 HydrophobicContact CE1-CE2 3.66Å; Y702-Y706 AromaticContact CE1-CZ 3.97Å; Y702-Y706 WeakPolarHBondContact CE1-OH 3.34Å; Y702-Y706 VanDerWaalsContact O-CD2 3.31Å; Y702-Y706 WeakPolarHBondContact O-CD2 3.42Å; Y702-Y706 PolarHBondContact OH-OH 2.96Å
703	K	78.1	Confident	75.6	Confident	101 Å²	101	73.5 Å²	73.5	44%	0.439	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-60.6	-27.2	168.3	-68.9	177.2	179.4	-172.7	0	114.1	T699 H701 H705 Y706	T699-K703 WeakPolarHBondContact O-CG 3.46Å; T699-K703 PolarHBondContact O-N 3.44Å; H701-K703 PolarHBondContact O-N 2.97Å; K703-H705 PolarHBondContact O-N 3.31Å; K703-Y706 PolarHBondContact O-N 3.31Å
704	S	75.8	Confident	75.4	Confident	49 Å²	49	72.1 Å²	72.1	34%	0.343	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-82.1	6.8	175.5	89.5	0	0	0	0	113.8	H701 Y702	H701-S704 PolarHBondContact ND1-OG 2.92Å; H701-S704 WeakPolarHBondContact O-CA 3.44Å; H701-S704 WeakPolarHBondContact O-CB 3.27Å; H701-S704 PolarHBondContact O-N 3.46Å; H701-S704 PolarHBondContact O-OG 3.34Å; Y702-S704 PolarHBondContact O-N 3.49Å
705	H	75.9	Confident	75.6	Confident	58 Å²	58	69 Å²	69	27%	0.269	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-97.3	-7.2	164.4	-75	-54.1	0	0	0	112.9	C685 I687 C688 H701 Y702 K703	C685-H705 VanDerWaalsContact SG-CD2 3.58Å; I687-H705 HydrophobicContact CD1-CB 3.56Å; I687-H705 HydrophobicContact CG2-CB 4.46Å; C688-H705 PolarHBondContact SG-NE2 2.88Å; H701-H705 AromaticContact CE1-CD2 3.73Å; H701-H705 AromaticContact CE1-CE1 3.88Å; H701-H705 AromaticContact CE1-NE2 3.17Å; H701-H705 PolarHBondContact CE1-NE2 3.19Å; H701-H705 AromaticContact NE2-CD2 3.8Å; H701-H705 AromaticContact NE2-NE2 3.27Å; H701-H705 PolarHBondContact NE2-NE2 3.5Å; Y702-H705 PolarHBondContact O-N 2.86Å; Y702-H705 VanDerWaalsContact O-N 3.13Å; K703-H705 PolarHBondContact O-N 3.31Å
706	Y	65.9	Low	75.5	Confident	92 Å²	92	68.9 Å²	68.9	36%	0.361	36%	0.362	S	S	.	.	S	Bend	trans	-104.5	60	173.8	-58	-77.5	0	0	0	110	Y702 K703	Y702-Y706 AromaticContact CD1-CE2 3.86Å; Y702-Y706 HydrophobicContact CD1-CE2 3.86Å; Y702-Y706 AromaticContact CE1-CE2 3.66Å; Y702-Y706 HydrophobicContact CE1-CE2 3.66Å; Y702-Y706 AromaticContact CE1-CZ 3.97Å; Y702-Y706 WeakPolarHBondContact CE1-OH 3.34Å; Y702-Y706 VanDerWaalsContact O-CD2 3.31Å; Y702-Y706 WeakPolarHBondContact O-CD2 3.42Å; Y702-Y706 PolarHBondContact OH-OH 2.96Å; K703-Y706 PolarHBondContact O-N 3.31Å
707	E	52.8	Low	75.5	Confident	105 Å²	105	61.5 Å²	61.5	49%	0.491	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	157.4	165.2	-72.2	-65.6	159.4	0	0	110.9	K711	E707-K711 WeakPolarHBondContact OE1-CE 3.5Å; E707-K711 IonicContact OE1-NZ 3.71Å; E707-K711 PolarHBondContact OE1-NZ 3.34Å; E707-K711 WeakPolarHBondContact OE2-CE 3.37Å; E707-K711 IonicContact OE2-NZ 2.68Å; E707-K711 PolarHBondContact OE2-NZ 2.72Å
708	P	50.6	Low	75.5	Confident	98 Å²	98	60.9 Å²	60.9	64%	0.636	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	cis	-94.2	-13	-19.9	-2.8	23.8	0	0	0	112.5
709	S	52.1	Low	75.3	Confident	81 Å²	81	62.4 Å²	62.4	57%	0.566	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-17.7	-162	57.8	0	0	0	0	115.2	K711 R721	S709-K711 PolarHBondContact O-N 2.92Å; S709-K711 VanDerWaalsContact O-N 3.11Å; S709-R721 PolarHBondContact O-NH2 3.1Å
710	Q	58.5	Low	75.2	Confident	85 Å²	85	65.5 Å²	65.5	40%	0.397	36%	0.36	S	S	.	.			trans	-84	28.4	179.4	-60.4	-154.8	28.7	0	0	114.7	P712	Q710-P712 VanDerWaalsContact O-CD 3.24Å; Q710-P712 WeakPolarHBondContact O-CD 3.4Å
711	K	67.3	Low	75.3	Confident	52 Å²	52	69.1 Å²	69.1	23%	0.226	36%	0.362	C	S	.	.			trans	-104	89.7	169	-66.1	163.3	178.8	166.7	0	108.3	E707 S709 R721 Y722 T723	E707-K711 WeakPolarHBondContact OE1-CE 3.5Å; E707-K711 IonicContact OE1-NZ 3.71Å; E707-K711 PolarHBondContact OE1-NZ 3.34Å; E707-K711 WeakPolarHBondContact OE2-CE 3.37Å; E707-K711 IonicContact OE2-NZ 2.68Å; E707-K711 PolarHBondContact OE2-NZ 2.72Å; S709-K711 PolarHBondContact O-N 2.92Å; S709-K711 VanDerWaalsContact O-N 3.11Å; K711-R721 HydrophobicContact CB-CB 3.47Å; K711-R721 VanDerWaalsContact CB-CB 3.47Å; K711-R721 HydrophobicContact CD-CB 4.2Å; K711-R721 HydrophobicContact CG-CB 4.42Å; K711-R721 PolarHBondContact O-NE 2.68Å; K711-R721 PolarHBondContact O-NH2 2.99Å; K711-Y722 CarbonylContact C-O 3.53Å; K711-T723 HydrophobicContact CG-CG2 4.02Å
712	P	76.5	Confident	75.2	Confident	90 Å²	90	70.2 Å²	70.2	58%	0.584	37%	0.365	S	S	*	.			trans	-82.1	-9.6	-168.9	32.8	-37.2	0	0	0	114.5	Q710 Y722	Q710-P712 VanDerWaalsContact O-CD 3.24Å; Q710-P712 WeakPolarHBondContact O-CD 3.4Å; P712-Y722 WeakPolarHBondContact CD-O 3.24Å
713	Y	80.3	Confident	75.3	Confident	94 Å²	94	70.6 Å²	70.6	37%	0.369	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	90.6	-177.8	-59.6	-71.4	0	0	0	110.1	Y722 P725	Y713-Y722 PolarHBondContact N-O 3.48Å; Y713-Y722 PolarHBondContact O-N 3.27Å; Y713-P725 HydrophobicContact CD1-CB 3.99Å; Y713-P725 HydrophobicContact CE1-CB 3.82Å; Y713-P725 HydrophobicContact CE1-CG 4.31Å; Y713-P725 HydrophobicContact CE2-CB 4.45Å; Y713-P725 VanDerWaalsContact CE2-CD 3.5Å; Y713-P725 HydrophobicContact CE2-CG 4.4Å; Y713-P725 HydrophobicContact CG-CB 4.39Å
714	C	82.9	Confident	75.4	Confident	50 Å²	50	67 Å²	67	34%	0.338	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	151.5	175.4	-159.7	0	0	0	0	111.4	G719 Q720 L728	C714-G719 PolarHBondContact SG-O 3.28Å; C714-G719 VanDerWaalsContact SG-O 3.41Å; C714-Q720 CarbonylContact C-O 3.59Å; C714-L728 VanDerWaalsContact O-CD1 3.27Å; C714-L728 WeakPolarHBondContact O-CD1 3.27Å; C714-L728 WeakPolarHBondContact O-CD2 3.32Å
715	C	88.7	Confident	76	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.007	36%	0.364	C	S	.	.			trans	-92.9	109.6	162.6	-177.8	0	0	0	0	109.3	D717 C718 G719 Q720 L728 H731	C715-D717 PolarHBondContact O-N 2.83Å; C715-C718 PolarHBondContact O-N 3.42Å; C715-G719 PolarHBondContact O-N 2.87Å; C715-Q720 PolarHBondContact N-O 3.13Å; C715-L728 HydrophobicContact CB-CD1 3.66Å; C715-H731 VanDerWaalsContact SG-CD2 3.58Å; C715-H731 PolarHBondContact SG-NE2 3.47Å; C715-H731 VanDerWaalsContact SG-NE2 3.43Å
716	D	85.6	Confident	76.5	Confident	98 Å²	98	69.1 Å²	69.1	52%	0.524	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-26.4	-178.9	-47.4	-60.2	0	0	0	113
717	D	84	Confident	77.4	Confident	37 Å²	37	68.6 Å²	68.6	20%	0.198	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-16.9	-179.2	-52.5	-81.1	0	0	0	113.8	C715 R732 V738 L739	C715-D717 PolarHBondContact O-N 2.83Å; D717-R732 IonicContact OD1-NH2 2.88Å; D717-R732 IonicContact OD2-CZ 2.6Å; D717-R732 IonicContact OD2-NE 3.19Å; D717-R732 PolarHBondContact OD2-NE 3.42Å; D717-R732 IonicContact OD2-NH2 2.74Å; D717-R732 PolarHBondContact OD2-NH2 2.86Å; D717-V738 WeakPolarHBondContact O-CB 3.4Å; D717-V738 WeakPolarHBondContact O-CG1 3.47Å; D717-V738 WeakPolarHBondContact O-CG2 3.48Å; D717-L739 HydrophobicContact CB-CD1 4.36Å; D717-L739 HydrophobicContact CB-CD2 4.22Å; D717-L739 HydrophobicContact CB-CG 3.8Å; D717-L739 WeakPolarHBondContact OD1-CD2 3.48Å; D717-L739 WeakPolarHBondContact OD2-CD1 3.43Å
718	C	87.2	Confident	79.2	Confident	35 Å²	35	65.1 Å²	65.1	24%	0.236	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-154.3	12.6	-176.5	75.4	0	0	0	0	117.4	C715 Q720 H731 V738	C715-C718 PolarHBondContact O-N 3.42Å; C718-Q720 PolarHBondContact O-N 2.68Å; C718-H731 PolarHBondContact SG-NE2 3.21Å; C718-V738 HydrophobicContact CB-CB 4.02Å; C718-V738 HydrophobicContact CB-CG2 3.5Å
719	G	84.7	Confident	81	Confident	41 Å²	41	67.1 Å²	67.1	42%	0.423	37%	0.368	S	S	.	.			trans	70.7	-10.2	177	0	0	0	0	0	116.1	C714 C715 R721	C714-G719 PolarHBondContact SG-O 3.28Å; C714-G719 VanDerWaalsContact SG-O 3.41Å; C715-G719 PolarHBondContact O-N 2.87Å; G719-R721 WeakPolarHBondContact O-CG 3.43Å; G719-R721 PolarHBondContact O-N 3Å
720	Q	83.4	Confident	82.6	Confident	108 Å²	108	70 Å²	70	51%	0.505	37%	0.368	S	S	.	.			trans	-65.6	127	-176.8	-73.5	-66.4	-28.2	0	0	112.2	C714 C715 C718 Y722	C714-Q720 CarbonylContact C-O 3.59Å; C715-Q720 PolarHBondContact N-O 3.13Å; C718-Q720 PolarHBondContact O-N 2.68Å; Q720-Y722 HydrophobicContact CB-CE2 3.87Å; Q720-Y722 WeakPolarHBondContact O-CE2 3.27Å
721	R	85.3	Confident	84	Confident	113 Å²	113	66.4 Å²	66.4	43%	0.426	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	133.8	-171.3	-53.3	-179.2	61.4	166.6	-0.6	112.3	S709 K711 G719	S709-R721 PolarHBondContact O-NH2 3.1Å; K711-R721 HydrophobicContact CB-CB 3.47Å; K711-R721 VanDerWaalsContact CB-CB 3.47Å; K711-R721 HydrophobicContact CD-CB 4.2Å; K711-R721 HydrophobicContact CG-CB 4.42Å; K711-R721 PolarHBondContact O-NE 2.68Å; K711-R721 PolarHBondContact O-NH2 2.99Å; G719-R721 WeakPolarHBondContact O-CG 3.43Å; G719-R721 PolarHBondContact O-N 3Å
722	Y	84	Confident	84.9	Confident	47 Å²	47	69.4 Å²	69.4	18%	0.184	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	150.6	-174.7	-63.8	-76.3	0	0	0	113.3	K711 P712 Y713 Q720 N727 L728 H731	K711-Y722 CarbonylContact C-O 3.53Å; P712-Y722 WeakPolarHBondContact CD-O 3.24Å; Y713-Y722 PolarHBondContact N-O 3.48Å; Y713-Y722 PolarHBondContact O-N 3.27Å; Q720-Y722 HydrophobicContact CB-CE2 3.87Å; Q720-Y722 WeakPolarHBondContact O-CE2 3.27Å; Y722-N727 HydrophobicContact CD1-CB 3.83Å; Y722-N727 HydrophobicContact CG-CB 4.18Å; Y722-L728 HydrophobicContact CD2-CB 3.96Å; Y722-L728 HydrophobicContact CD2-CD1 4.04Å; Y722-L728 HydrophobicContact CE2-CD1 4.41Å; Y722-L728 HydrophobicContact CG-CB 4.33Å; Y722-H731 HydrophobicContact CE1-CB 4.41Å; Y722-H731 HydrophobicContact CE2-CB 3.87Å; Y722-H731 AromaticContact CE2-CD2 3.75Å; Y722-H731 AromaticContact CE2-CG 3.68Å; Y722-H731 AromaticContact CZ-CG 3.63Å; Y722-H731 AromaticContact CZ-ND1 3.75Å; Y722-H731 PolarHBondContact OH-CE1 3.22Å; Y722-H731 VanDerWaalsContact OH-CE1 3.29Å; Y722-H731 VanDerWaalsContact OH-CG 3.29Å; Y722-H731 PolarHBondContact OH-ND1 2.76Å
723	T	80.9	Confident	85.2	Confident	47 Å²	47	68.1 Å²	68.1	29%	0.288	36%	0.364	S	S	.	.	S	Bend	trans	-84.4	-8.3	177.2	53.2	0	0	0	0	113.9	K711	K711-T723 HydrophobicContact CG-CG2 4.02Å
724	S	82.2	Confident	84.9	Confident	27 Å²	27	72.1 Å²	72.1	19%	0.189	38%	0.378	C	S	.	.	S	Bend	trans	-144.8	152.1	177.4	86.1	0	0	0	0	111.2	S726 N727 L728	S724-S726 VanDerWaalsContact C-N 3.31Å; S724-S726 PolarHBondContact O-N 3.04Å; S724-N727 PolarHBondContact O-N 2.89Å; S724-N727 WeakPolarHBondContact OG-CB 3.22Å; S724-N727 PolarHBondContact OG-N 2.84Å; S724-N727 VanDerWaalsContact OG-N 3.11Å; S724-N727 PolarHBondContact OG-OD1 2.85Å; S724-L728 PolarHBondContact O-N 3.39Å
725	P	86.7	Confident	84.7	Confident	67 Å²	67	73.2 Å²	73.2	44%	0.435	38%	0.381	S	S	.	.	H	α-helix	trans	-72.1	-28.2	178.6	29.9	-32.9	0	0	0	111.6	Y713 N727 L728 H729	Y713-P725 HydrophobicContact CD1-CB 3.99Å; Y713-P725 HydrophobicContact CE1-CB 3.82Å; Y713-P725 HydrophobicContact CE1-CG 4.31Å; Y713-P725 HydrophobicContact CE2-CB 4.45Å; Y713-P725 VanDerWaalsContact CE2-CD 3.5Å; Y713-P725 HydrophobicContact CE2-CG 4.4Å; Y713-P725 HydrophobicContact CG-CB 4.39Å; P725-N727 VanDerWaalsContact C-N 3.32Å; P725-N727 PolarHBondContact O-N 3.44Å; P725-L728 PolarHBondContact O-N 2.82Å; P725-H729 WeakPolarHBondContact O-CB 3.48Å; P725-H729 PolarHBondContact O-N 3.13Å
726	S	86.8	Confident	84.6	Confident	84 Å²	84	73.3 Å²	73.3	59%	0.587	38%	0.381	S	S	*	.	H	α-helix	trans	-64.4	-37.3	175.3	-49.2	0	0	0	0	111.9	S724 H729 Y730	S724-S726 VanDerWaalsContact C-N 3.31Å; S724-S726 PolarHBondContact O-N 3.04Å; S726-H729 PolarHBondContact O-N 3.41Å; S726-Y730 VanDerWaalsContact O-CB 3.31Å; S726-Y730 WeakPolarHBondContact O-CB 3.29Å; S726-Y730 PolarHBondContact O-N 2.91Å
727	N	85.6	Confident	84.2	Confident	80 Å²	80	72.1 Å²	72.1	43%	0.428	38%	0.379	S	S	.	.	H	α-helix	trans	-69.9	-41.5	176.6	-68.2	15.6	0	0	0	110.7	Y722 S724 P725 H731	Y722-N727 HydrophobicContact CD1-CB 3.83Å; Y722-N727 HydrophobicContact CG-CB 4.18Å; S724-N727 PolarHBondContact O-N 2.89Å; S724-N727 WeakPolarHBondContact OG-CB 3.22Å; S724-N727 PolarHBondContact OG-N 2.84Å; S724-N727 VanDerWaalsContact OG-N 3.11Å; S724-N727 PolarHBondContact OG-OD1 2.85Å; P725-N727 VanDerWaalsContact C-N 3.32Å; P725-N727 PolarHBondContact O-N 3.44Å; N727-H731 VanDerWaalsContact O-CB 3.27Å; N727-H731 WeakPolarHBondContact O-CB 3.47Å; N727-H731 PolarHBondContact O-N 3.26Å
728	L	90.6	Very high	84.1	Confident	32 Å²	32	73.4 Å²	73.4	17%	0.168	39%	0.388	C	S	.	.	H	α-helix	trans	-59.6	-47.4	171.9	170.5	60.3	0	0	0	111.7	C714 C715 Y722 S724 P725 H731 R732	C714-L728 VanDerWaalsContact O-CD1 3.27Å; C714-L728 WeakPolarHBondContact O-CD1 3.27Å; C714-L728 WeakPolarHBondContact O-CD2 3.32Å; C715-L728 HydrophobicContact CB-CD1 3.66Å; Y722-L728 HydrophobicContact CD2-CB 3.96Å; Y722-L728 HydrophobicContact CD2-CD1 4.04Å; Y722-L728 HydrophobicContact CE2-CD1 4.41Å; Y722-L728 HydrophobicContact CG-CB 4.33Å; S724-L728 PolarHBondContact O-N 3.39Å; P725-L728 PolarHBondContact O-N 2.82Å; L728-H731 WeakPolarHBondContact O-CB 3.24Å; L728-H731 PolarHBondContact O-N 2.72Å; L728-R732 WeakPolarHBondContact O-CB 3.49Å; L728-R732 PolarHBondContact O-N 3.11Å
729	H	87.4	Confident	83.8	Confident	140 Å²	140	73.9 Å²	73.9	65%	0.648	39%	0.388	S	S	*	.	H	α-helix	trans	-65.2	-42.8	-179.6	-177.3	69.9	0	0	0	112.2	P725 S726 H731 R732 G733	P725-H729 WeakPolarHBondContact O-CB 3.48Å; P725-H729 PolarHBondContact O-N 3.13Å; S726-H729 PolarHBondContact O-N 3.41Å; H729-H731 VanDerWaalsContact C-N 3.31Å; H729-H731 PolarHBondContact O-N 3.11Å; H729-R732 PolarHBondContact O-N 2.78Å; H729-G733 PolarHBondContact O-N 2.96Å
730	Y	86.3	Confident	83.4	Confident	143 Å²	143	76.2 Å²	76.2	56%	0.561	39%	0.387	S	S	*	.	H	α-helix	trans	-63.4	-36.9	173.6	177.1	-107.9	0	0	0	112.3	S726 R734 N735	S726-Y730 VanDerWaalsContact O-CB 3.31Å; S726-Y730 WeakPolarHBondContact O-CB 3.29Å; S726-Y730 PolarHBondContact O-N 2.91Å; Y730-R734 PolarHBondContact O-N 2.84Å; Y730-R734 VanDerWaalsContact O-N 3.11Å; Y730-N735 WeakPolarHBondContact CE1-ND2 3.49Å
731	H	88.1	Confident	83.2	Confident	9 Å²	9	74.2 Å²	74.2	4%	0.042	38%	0.379	C	S	.	.	I	π-helix	trans	-63.6	-58	170.9	168.2	87.2	0	0	0	111.1	C715 C718 Y722 N727 L728 H729 G733 R734 N735 C736	C715-H731 VanDerWaalsContact SG-CD2 3.58Å; C715-H731 PolarHBondContact SG-NE2 3.47Å; C715-H731 VanDerWaalsContact SG-NE2 3.43Å; C718-H731 PolarHBondContact SG-NE2 3.21Å; Y722-H731 HydrophobicContact CE1-CB 4.41Å; Y722-H731 HydrophobicContact CE2-CB 3.87Å; Y722-H731 AromaticContact CE2-CD2 3.75Å; Y722-H731 AromaticContact CE2-CG 3.68Å; Y722-H731 AromaticContact CZ-CG 3.63Å; Y722-H731 AromaticContact CZ-ND1 3.75Å; Y722-H731 PolarHBondContact OH-CE1 3.22Å; Y722-H731 VanDerWaalsContact OH-CE1 3.29Å; Y722-H731 VanDerWaalsContact OH-CG 3.29Å; Y722-H731 PolarHBondContact OH-ND1 2.76Å; N727-H731 VanDerWaalsContact O-CB 3.27Å; N727-H731 WeakPolarHBondContact O-CB 3.47Å; N727-H731 PolarHBondContact O-N 3.26Å; L728-H731 WeakPolarHBondContact O-CB 3.24Å; L728-H731 PolarHBondContact O-N 2.72Å; H729-H731 VanDerWaalsContact C-N 3.31Å; H729-H731 PolarHBondContact O-N 3.11Å; H731-G733 VanDerWaalsContact C-N 3.28Å; H731-G733 PolarHBondContact O-N 3.08Å; H731-R734 PolarHBondContact O-N 3.21Å; H731-N735 CarbonylContact O-C 3.56Å; H731-N735 WeakPolarHBondContact O-CA 3.38Å; H731-N735 PolarHBondContact O-N 2.78Å; H731-C736 VanDerWaalsContact CE1-CA 3.41Å; H731-C736 WeakPolarHBondContact CE1-CA 3.39Å; H731-C736 WeakPolarHBondContact NE2-CB 3.25Å; H731-C736 PolarHBondContact O-N 2.85Å
732	R	85.8	Confident	82.8	Confident	114 Å²	114	73.1 Å²	73.1	43%	0.43	38%	0.377	S	S	.	.	I	π-helix	trans	-54.8	-42.9	-177.4	-157.3	176.3	-168.6	-150.1	-2.2	112	D717 L728 H729 L739	D717-R732 IonicContact OD1-NH2 2.88Å; D717-R732 IonicContact OD2-CZ 2.6Å; D717-R732 IonicContact OD2-NE 3.19Å; D717-R732 PolarHBondContact OD2-NE 3.42Å; D717-R732 IonicContact OD2-NH2 2.74Å; D717-R732 PolarHBondContact OD2-NH2 2.86Å; L728-R732 WeakPolarHBondContact O-CB 3.49Å; L728-R732 PolarHBondContact O-N 3.11Å; H729-R732 PolarHBondContact O-N 2.78Å; R732-L739 HydrophobicContact CB-CD1 4.34Å; R732-L739 HydrophobicContact CG-CD1 3.3Å; R732-L739 WeakPolarHBondContact O-CD1 3.48Å
733	G	82	Confident	82.4	Confident	63 Å²	63	72 Å²	72	65%	0.649	38%	0.378	S	S	*	.	I	π-helix	trans	-81.6	-17.5	-179.3	0	0	0	0	0	116.9	H729 H731	H729-G733 PolarHBondContact O-N 2.96Å; H731-G733 VanDerWaalsContact C-N 3.28Å; H731-G733 PolarHBondContact O-N 3.08Å
734	R	75.2	Confident	82.1	Confident	178 Å²	178	72.9 Å²	72.9	67%	0.672	38%	0.38	S	S	*	.	I	π-helix	trans	-142.6	-21.9	-175.7	-70.3	-168.6	177.1	-170	-0.6	117.2	Y730 H731 K740	Y730-R734 PolarHBondContact O-N 2.84Å; Y730-R734 VanDerWaalsContact O-N 3.11Å; H731-R734 PolarHBondContact O-N 3.21Å; R734-K740 WeakPolarHBondContact O-CE 3.27Å; R734-K740 PolarHBondContact O-NZ 2.82Å
735	N	78.6	Confident	81.6	Confident	74 Å²	74	79.3 Å²	79.3	40%	0.396	40%	0.404	S	S	.	.	I	π-helix	trans	-131.6	0.4	-169.8	-64.6	-49.6	0	0	0	115.6	Y730 H731 P737	Y730-N735 WeakPolarHBondContact CE1-ND2 3.49Å; H731-N735 CarbonylContact O-C 3.56Å; H731-N735 WeakPolarHBondContact O-CA 3.38Å; H731-N735 PolarHBondContact O-N 2.78Å; N735-P737 VanDerWaalsContact O-CD 3.25Å; N735-P737 WeakPolarHBondContact O-CD 3.44Å
736	C	85.8	Confident	81.1	Confident	2 Å²	2	80.3 Å²	80.3	1%	0.014	40%	0.403	C	S	.	.			trans	-67.8	116.3	170.1	179.5	0	0	0	0	110.2	H731 L739 K740	H731-C736 VanDerWaalsContact CE1-CA 3.41Å; H731-C736 WeakPolarHBondContact CE1-CA 3.39Å; H731-C736 WeakPolarHBondContact NE2-CB 3.25Å; H731-C736 PolarHBondContact O-N 2.85Å; C736-L739 HydrophobicContact CB-CB 3.99Å; C736-L739 HydrophobicContact CB-CD1 4.17Å; C736-L739 HydrophobicContact CB-CG 4.33Å; C736-L739 PolarHBondContact SG-N 3.46Å; C736-K740 WeakPolarHBondContact O-CG 3.26Å; C736-K740 PolarHBondContact O-N 3.22Å
737	P	77.9	Confident	80.3	Confident	74 Å²	74	79 Å²	79	48%	0.481	40%	0.403	S	S	.	.	H	α-helix	trans	-66.8	-39.3	179.5	-19	33.2	0	0	0	111.3	N735 K740 L741	N735-P737 VanDerWaalsContact O-CD 3.25Å; N735-P737 WeakPolarHBondContact O-CD 3.44Å; P737-K740 WeakPolarHBondContact O-CB 3.35Å; P737-K740 PolarHBondContact O-N 3.13Å; P737-L741 WeakPolarHBondContact O-CG 3.45Å; P737-L741 PolarHBondContact O-N 3.42Å
738	V	81.8	Confident	79.6	Confident	64 Å²	64	82.6 Å²	82.6	39%	0.388	42%	0.415	S	S	.	.	H	α-helix	trans	-69.5	-41.1	-177.3	-175.6	0	0	0	0	111.5	D717 C718 K740 L741 K742	D717-V738 WeakPolarHBondContact O-CB 3.4Å; D717-V738 WeakPolarHBondContact O-CG1 3.47Å; D717-V738 WeakPolarHBondContact O-CG2 3.48Å; C718-V738 HydrophobicContact CB-CB 4.02Å; C718-V738 HydrophobicContact CB-CG2 3.5Å; V738-K740 VanDerWaalsContact C-N 3.32Å; V738-K740 PolarHBondContact O-N 3.37Å; V738-L741 PolarHBondContact O-N 2.66Å; V738-K742 VanDerWaalsContact O-CB 3.22Å; V738-K742 WeakPolarHBondContact O-CB 3.47Å; V738-K742 PolarHBondContact O-N 3.45Å
739	L	81.9	Confident	78.1	Confident	45 Å²	45	84.9 Å²	84.9	24%	0.236	43%	0.427	C	S	.	.	H	α-helix	trans	-64.7	-35.2	172.9	-80.2	176	0	0	0	112.8	D717 R732 C736 A743	D717-L739 HydrophobicContact CB-CD1 4.36Å; D717-L739 HydrophobicContact CB-CD2 4.22Å; D717-L739 HydrophobicContact CB-CG 3.8Å; D717-L739 WeakPolarHBondContact OD1-CD2 3.48Å; D717-L739 WeakPolarHBondContact OD2-CD1 3.43Å; R732-L739 HydrophobicContact CB-CD1 4.34Å; R732-L739 HydrophobicContact CG-CD1 3.3Å; R732-L739 WeakPolarHBondContact O-CD1 3.48Å; C736-L739 HydrophobicContact CB-CB 3.99Å; C736-L739 HydrophobicContact CB-CD1 4.17Å; C736-L739 HydrophobicContact CB-CG 4.33Å; C736-L739 PolarHBondContact SG-N 3.46Å; L739-A743 VanDerWaalsContact O-CB 3.24Å; L739-A743 WeakPolarHBondContact O-CB 3.34Å; L739-A743 PolarHBondContact O-N 2.85Å
740	K	75.7	Confident	76.9	Confident	90 Å²	90	81.7 Å²	81.7	39%	0.391	41%	0.414	S	S	.	.	H	α-helix	trans	-63.3	-49.7	171	-73.6	176.9	-178.5	175.1	0	111	R734 C736 P737 V738 K742 A743 I744 L749	R734-K740 WeakPolarHBondContact O-CE 3.27Å; R734-K740 PolarHBondContact O-NZ 2.82Å; C736-K740 WeakPolarHBondContact O-CG 3.26Å; C736-K740 PolarHBondContact O-N 3.22Å; P737-K740 WeakPolarHBondContact O-CB 3.35Å; P737-K740 PolarHBondContact O-N 3.13Å; V738-K740 VanDerWaalsContact C-N 3.32Å; V738-K740 PolarHBondContact O-N 3.37Å; K740-K742 VanDerWaalsContact C-N 3.33Å; K740-K742 PolarHBondContact O-N 2.74Å; K740-A743 PolarHBondContact O-N 3.48Å; K740-I744 WeakPolarHBondContact O-CB 3.27Å; K740-I744 WeakPolarHBondContact O-CD1 3.46Å; K740-I744 WeakPolarHBondContact O-CG1 3.14Å; K740-I744 PolarHBondContact O-N 3.35Å; K740-L749 HydrophobicContact CB-CD2 4.43Å; K740-L749 HydrophobicContact CG-CD2 4.24Å
741	L	78.1	Confident	75.4	Confident	66 Å²	66	76.4 Å²	76.4	35%	0.346	40%	0.397	S	S	.	.	H	α-helix	trans	-62.1	-38.7	178.5	-71.5	168.1	0	0	0	112.2	P737 V738 I744 K745 Y1152	P737-L741 WeakPolarHBondContact O-CG 3.45Å; P737-L741 PolarHBondContact O-N 3.42Å; V738-L741 PolarHBondContact O-N 2.66Å; L741-I744 PolarHBondContact O-N 2.99Å; L741-K745 WeakPolarHBondContact O-CB 3.35Å; L741-K745 WeakPolarHBondContact O-CG 3.25Å; L741-K745 PolarHBondContact O-N 2.92Å; L741-Y1152 HydrophobicContact CD1-CE2 4.36Å
742	K	76.7	Confident	73.7	Confident	90 Å²	90	79.6 Å²	79.6	39%	0.391	42%	0.42	S	S	.	.	H	α-helix	trans	-66.6	-47.6	175.7	-174.7	165.2	-178.9	172.8	0	111.1	V738 K740 I744 K745 E746	V738-K742 VanDerWaalsContact O-CB 3.22Å; V738-K742 WeakPolarHBondContact O-CB 3.47Å; V738-K742 PolarHBondContact O-N 3.45Å; K740-K742 VanDerWaalsContact C-N 3.33Å; K740-K742 PolarHBondContact O-N 2.74Å; K742-I744 VanDerWaalsContact C-N 3.26Å; K742-I744 PolarHBondContact O-N 3.35Å; K742-K745 PolarHBondContact O-N 2.9Å; K742-E746 WeakPolarHBondContact CE-OE1 3.5Å; K742-E746 HydrophobicContact CG-CG 4.39Å; K742-E746 WeakPolarHBondContact CG-OE1 3.48Å; K742-E746 VanDerWaalsContact O-CB 3.31Å; K742-E746 WeakPolarHBondContact O-CB 3.23Å; K742-E746 VanDerWaalsContact O-CG 3.28Å; K742-E746 WeakPolarHBondContact O-CG 3.37Å; K742-E746 PolarHBondContact O-N 3.27Å
743	A	76.9	Confident	71.9	Confident	23 Å²	23	78 Å²	78	19%	0.19	43%	0.427	C	S	.	.	H	α-helix	trans	-64.4	-28.4	174.4	0	0	0	0	0	113.2	L739 K740 G747 K748 L749	L739-A743 VanDerWaalsContact O-CB 3.24Å; L739-A743 WeakPolarHBondContact O-CB 3.34Å; L739-A743 PolarHBondContact O-N 2.85Å; K740-A743 PolarHBondContact O-N 3.48Å; A743-G747 CarbonylContact O-C 3.57Å; A743-G747 PolarHBondContact O-N 3.32Å; A743-K748 HydrophobicContact CB-CB 4.36Å; A743-K748 PolarHBondContact O-N 2.79Å; A743-L749 HydrophobicContact CB-CB 3.6Å; A743-L749 HydrophobicContact CB-CD2 4.42Å; A743-L749 PolarHBondContact O-N 2.91Å
744	I	74	Confident	70.6	Confident	65 Å²	65	77.6 Å²	77.6	33%	0.333	41%	0.412	S	S	.	.	H	α-helix	trans	-71.7	-47.9	171.6	-69.3	160.9	0	0	0	110.8	K740 L741 K742 E746 G747 L749 P751	K740-I744 WeakPolarHBondContact O-CB 3.27Å; K740-I744 WeakPolarHBondContact O-CD1 3.46Å; K740-I744 WeakPolarHBondContact O-CG1 3.14Å; K740-I744 PolarHBondContact O-N 3.35Å; L741-I744 PolarHBondContact O-N 2.99Å; K742-I744 VanDerWaalsContact C-N 3.26Å; K742-I744 PolarHBondContact O-N 3.35Å; I744-E746 VanDerWaalsContact C-N 3.3Å; I744-E746 PolarHBondContact O-N 2.88Å; I744-G747 PolarHBondContact O-N 3.33Å; I744-G747 VanDerWaalsContact O-N 3.13Å; I744-L749 WeakPolarHBondContact CA-O 3.32Å; I744-L749 VanDerWaalsContact CG1-O 3.25Å; I744-L749 WeakPolarHBondContact CG1-O 3.39Å; I744-P751 HydrophobicContact CB-CG 4.49Å; I744-P751 HydrophobicContact CD1-CB 4.45Å; I744-P751 HydrophobicContact CD1-CG 3.99Å; I744-P751 HydrophobicContact CG1-CG 3.9Å; I744-P751 HydrophobicContact CG2-CG 3.76Å
745	K	72.4	Confident	69.7	Low	162 Å²	162	74 Å²	74	70%	0.704	40%	0.402	S	S	*	.	H	α-helix	trans	-60.8	-37.5	175.4	-76.7	-174.2	176.5	-173.1	0	112.1	N83 L741 K742 G747	N83-K745 PolarHBondContact O-NZ 3.01Å; L741-K745 WeakPolarHBondContact O-CB 3.35Å; L741-K745 WeakPolarHBondContact O-CG 3.25Å; L741-K745 PolarHBondContact O-N 2.92Å; K742-K745 PolarHBondContact O-N 2.9Å; K745-G747 VanDerWaalsContact C-N 3.29Å; K745-G747 PolarHBondContact O-N 3.01Å
746	E	76.6	Confident	68.5	Low	89 Å²	89	74.9 Å²	74.9	42%	0.416	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	3.9	177.3	-66.7	174.8	-169.8	0	0	113.6	K742 I744 K748	K742-E746 WeakPolarHBondContact CE-OE1 3.5Å; K742-E746 HydrophobicContact CG-CG 4.39Å; K742-E746 WeakPolarHBondContact CG-OE1 3.48Å; K742-E746 VanDerWaalsContact O-CB 3.31Å; K742-E746 WeakPolarHBondContact O-CB 3.23Å; K742-E746 VanDerWaalsContact O-CG 3.28Å; K742-E746 WeakPolarHBondContact O-CG 3.37Å; K742-E746 PolarHBondContact O-N 3.27Å; I744-E746 VanDerWaalsContact C-N 3.3Å; I744-E746 PolarHBondContact O-N 2.88Å; E746-K748 HydrophobicContact CB-CD 4.08Å; E746-K748 HydrophobicContact CB-CG 4.22Å; E746-K748 PolarHBondContact O-N 3.05Å; E746-K748 WeakPolarHBondContact OE2-CD 3.32Å; E746-K748 VanDerWaalsContact OE2-CE 3.3Å; E746-K748 WeakPolarHBondContact OE2-CE 3.31Å; E746-K748 IonicContact OE2-NZ 2.71Å; E746-K748 PolarHBondContact OE2-NZ 2.83Å
747	G	68	Low	67.3	Low	57 Å²	57	77.9 Å²	77.9	59%	0.588	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	-7.1	-179.4	0	0	0	0	0	116.1	A743 I744 K745 L749	A743-G747 CarbonylContact O-C 3.57Å; A743-G747 PolarHBondContact O-N 3.32Å; I744-G747 PolarHBondContact O-N 3.33Å; I744-G747 VanDerWaalsContact O-N 3.13Å; K745-G747 VanDerWaalsContact C-N 3.29Å; K745-G747 PolarHBondContact O-N 3.01Å; G747-L749 VanDerWaalsContact C-N 3.27Å; G747-L749 PolarHBondContact O-N 3.37Å
748	K	71.1	Confident	66.7	Low	155 Å²	155	80.1 Å²	80.1	67%	0.674	43%	0.427	S	S	*	.	S	Bend	trans	-68.4	-18.8	-177.9	-65.2	171.3	-171.8	166.6	0	114.2	A743 E746	A743-K748 HydrophobicContact CB-CB 4.36Å; A743-K748 PolarHBondContact O-N 2.79Å; E746-K748 HydrophobicContact CB-CD 4.08Å; E746-K748 HydrophobicContact CB-CG 4.22Å; E746-K748 PolarHBondContact O-N 3.05Å; E746-K748 WeakPolarHBondContact OE2-CD 3.32Å; E746-K748 VanDerWaalsContact OE2-CE 3.3Å; E746-K748 WeakPolarHBondContact OE2-CE 3.31Å; E746-K748 IonicContact OE2-NZ 2.71Å; E746-K748 PolarHBondContact OE2-NZ 2.83Å
749	L	59.9	Low	66.2	Low	79 Å²	79	80.6 Å²	80.6	41%	0.414	43%	0.428	S	S	.	.	S	Bend	trans	-136.4	108	177.3	-175.1	72.8	0	0	0	110.4	K740 A743 I744 G747 P751	K740-L749 HydrophobicContact CB-CD2 4.43Å; K740-L749 HydrophobicContact CG-CD2 4.24Å; A743-L749 HydrophobicContact CB-CB 3.6Å; A743-L749 HydrophobicContact CB-CD2 4.42Å; A743-L749 PolarHBondContact O-N 2.91Å; I744-L749 WeakPolarHBondContact CA-O 3.32Å; I744-L749 VanDerWaalsContact CG1-O 3.25Å; I744-L749 WeakPolarHBondContact CG1-O 3.39Å; G747-L749 VanDerWaalsContact C-N 3.27Å; G747-L749 PolarHBondContact O-N 3.37Å; L749-P751 WeakPolarHBondContact O-CD 3.26Å
750	I	61.8	Low	65.6	Low	73 Å²	73	84.2 Å²	84.2	37%	0.374	45%	0.446	S	S	.	.			trans	-70.3	125.8	173.5	-51.4	178.5	0	0	0	108.5	V754 Q755	I750-V754 HydrophobicContact CG2-CB 3.98Å; I750-V754 HydrophobicContact CG2-CG1 3.87Å; I750-Q755 HydrophobicContact CB-CG 4.05Å; I750-Q755 HydrophobicContact CG2-CG 3.71Å
751	P	55.7	Low	65.4	Low	33 Å²	33	85 Å²	85	21%	0.214	45%	0.452	C	S	.	.			trans	-57.1	140.9	175.9	-22	29.6	0	0	0	111.8	I744 L749 S753 V754 Q755	I744-P751 HydrophobicContact CB-CG 4.49Å; I744-P751 HydrophobicContact CD1-CB 4.45Å; I744-P751 HydrophobicContact CD1-CG 3.99Å; I744-P751 HydrophobicContact CG1-CG 3.9Å; I744-P751 HydrophobicContact CG2-CG 3.76Å; L749-P751 WeakPolarHBondContact O-CD 3.26Å; P751-S753 WeakPolarHBondContact CB-OG 3.47Å; P751-S753 PolarHBondContact O-N 2.92Å; P751-S753 VanDerWaalsContact O-N 3.15Å; P751-V754 HydrophobicContact CB-CB 4.3Å; P751-V754 HydrophobicContact CB-CG2 4.03Å; P751-V754 HydrophobicContact CG-CB 4.38Å; P751-V754 HydrophobicContact CG-CG2 3.91Å; P751-V754 WeakPolarHBondContact O-CA 3.2Å; P751-V754 PolarHBondContact O-N 3.29Å; P751-Q755 PolarHBondContact O-N 3.4Å
752	S	52.3	Low	65.4	Low	75 Å²	75	85 Å²	85	52%	0.524	45%	0.451	S	S	.	.	H	α-helix	trans	-60.1	-27.2	175.1	-175.5	0	0	0	0	112.4	N756	S752-N756 VanDerWaalsContact O-CB 3.25Å; S752-N756 WeakPolarHBondContact O-CB 3.18Å; S752-N756 VanDerWaalsContact O-CG 3.24Å; S752-N756 PolarHBondContact O-N 2.87Å; S752-N756 PolarHBondContact O-ND2 3.49Å; S752-N756 PolarHBondContact OG-ND2 2.84Å
753	S	47.2	Very low	65.5	Low	81 Å²	81	86.3 Å²	86.3	57%	0.566	46%	0.457	S	S	*	.	H	α-helix	trans	-60.4	-47.6	168.5	46	0	0	0	0	112.3	P751 N756 T757	P751-S753 WeakPolarHBondContact CB-OG 3.47Å; P751-S753 PolarHBondContact O-N 2.92Å; P751-S753 VanDerWaalsContact O-N 3.15Å; S753-N756 CarbonylContact O-C 3.59Å; S753-N756 PolarHBondContact O-N 2.76Å; S753-T757 WeakPolarHBondContact O-CG2 3.27Å; S753-T757 PolarHBondContact O-N 2.69Å
754	V	55.9	Low	65.6	Low	55 Å²	55	87.9 Å²	87.9	33%	0.333	47%	0.47	S	S	.	.	H	α-helix	trans	-71.7	-34.4	179.6	177.9	0	0	0	0	112	I750 P751 N756 T757 K758	I750-V754 HydrophobicContact CG2-CB 3.98Å; I750-V754 HydrophobicContact CG2-CG1 3.87Å; P751-V754 HydrophobicContact CB-CB 4.3Å; P751-V754 HydrophobicContact CB-CG2 4.03Å; P751-V754 HydrophobicContact CG-CB 4.38Å; P751-V754 HydrophobicContact CG-CG2 3.91Å; P751-V754 WeakPolarHBondContact O-CA 3.2Å; P751-V754 PolarHBondContact O-N 3.29Å; V754-N756 VanDerWaalsContact C-N 3.32Å; V754-T757 WeakPolarHBondContact CA-OG1 3.37Å; V754-T757 PolarHBondContact O-OG1 3.12Å; V754-K758 WeakPolarHBondContact O-CB 3.27Å; V754-K758 WeakPolarHBondContact O-CG 3.13Å; V754-K758 PolarHBondContact O-N 3.47Å
755	Q	56.1	Low	65.9	Low	102 Å²	102	89.6 Å²	89.6	48%	0.477	48%	0.479	S	S	.	.	H	α-helix	trans	-61.9	-42.7	169.2	-67.1	177.1	-32.4	0	0	110.8	I750 P751 L759	I750-Q755 HydrophobicContact CB-CG 4.05Å; I750-Q755 HydrophobicContact CG2-CG 3.71Å; P751-Q755 PolarHBondContact O-N 3.4Å; Q755-L759 WeakPolarHBondContact O-CB 3.29Å; Q755-L759 PolarHBondContact O-N 2.87Å
756	N	51.7	Low	66.3	Low	92 Å²	92	88.2 Å²	88.2	49%	0.492	47%	0.47	S	S	.	.	H	α-helix	trans	-71.7	-36	178.5	-77.2	-47.4	0	0	0	113.2	S752 S753 V754 L760	S752-N756 VanDerWaalsContact O-CB 3.25Å; S752-N756 WeakPolarHBondContact O-CB 3.18Å; S752-N756 VanDerWaalsContact O-CG 3.24Å; S752-N756 PolarHBondContact O-N 2.87Å; S752-N756 PolarHBondContact O-ND2 3.49Å; S752-N756 PolarHBondContact OG-ND2 2.84Å; S753-N756 CarbonylContact O-C 3.59Å; S753-N756 PolarHBondContact O-N 2.76Å; V754-N756 VanDerWaalsContact C-N 3.32Å; N756-L760 VanDerWaalsContact O-CB 3.24Å; N756-L760 WeakPolarHBondContact O-CB 3.25Å; N756-L760 PolarHBondContact O-N 3.22Å
757	T	62.3	Low	66.5	Low	65 Å²	65	86.7 Å²	86.7	40%	0.399	47%	0.472	S	S	.	.	H	α-helix	trans	-67.5	-48.8	173.8	58.1	0	0	0	0	111.1	S753 V754 L759 L760 E761	S753-T757 WeakPolarHBondContact O-CG2 3.27Å; S753-T757 PolarHBondContact O-N 2.69Å; V754-T757 WeakPolarHBondContact CA-OG1 3.37Å; V754-T757 PolarHBondContact O-OG1 3.12Å; T757-L759 VanDerWaalsContact C-N 3.26Å; T757-L759 PolarHBondContact O-N 3.43Å; T757-L760 CarbonylContact O-C 3.44Å; T757-L760 WeakPolarHBondContact O-CA 3.13Å; T757-L760 WeakPolarHBondContact O-CB 3.41Å; T757-L760 PolarHBondContact O-N 3.01Å; T757-E761 WeakPolarHBondContact O-CB 3.34Å; T757-E761 VanDerWaalsContact O-CG 3.31Å; T757-E761 WeakPolarHBondContact O-CG 3.44Å; T757-E761 PolarHBondContact O-N 2.83Å
758	K	65.1	Low	67.3	Low	121 Å²	121	88.8 Å²	88.8	53%	0.526	47%	0.473	S	S	.	.	H	α-helix	trans	-58.5	-38	174.9	-72.8	-171.4	174.1	-169.8	0	112.5	V754 L762	V754-K758 WeakPolarHBondContact O-CB 3.27Å; V754-K758 WeakPolarHBondContact O-CG 3.13Å; V754-K758 PolarHBondContact O-N 3.47Å; K758-L762 VanDerWaalsContact O-CB 3.31Å; K758-L762 WeakPolarHBondContact O-CB 3.5Å; K758-L762 VanDerWaalsContact O-CG 3.28Å; K758-L762 WeakPolarHBondContact O-CG 3.49Å; K758-L762 PolarHBondContact O-N 2.87Å
759	L	71	Confident	67.8	Low	75 Å²	75	87 Å²	87	39%	0.393	47%	0.467	S	S	.	.	H	α-helix	trans	-69	-32.5	173.8	-178.6	60.5	0	0	0	112.8	Q755 T757 K763	Q755-L759 WeakPolarHBondContact O-CB 3.29Å; Q755-L759 PolarHBondContact O-N 2.87Å; T757-L759 VanDerWaalsContact C-N 3.26Å; T757-L759 PolarHBondContact O-N 3.43Å; L759-K763 HydrophobicContact CD1-CD 4.49Å; L759-K763 HydrophobicContact CG-CD 4.25Å; L759-K763 WeakPolarHBondContact O-CB 3.49Å; L759-K763 WeakPolarHBondContact O-CD 3.25Å; L759-K763 WeakPolarHBondContact O-CG 3.32Å; L759-K763 PolarHBondContact O-N 3.34Å
760	L	69.3	Low	68.8	Low	120 Å²	120	91 Å²	91	63%	0.628	48%	0.477	S	S	*	.	H	α-helix	trans	-74.8	-40.9	176.8	-168.5	67.1	0	0	0	111.4	N756 T757 K763 A764	N756-L760 VanDerWaalsContact O-CB 3.24Å; N756-L760 WeakPolarHBondContact O-CB 3.25Å; N756-L760 PolarHBondContact O-N 3.22Å; T757-L760 CarbonylContact O-C 3.44Å; T757-L760 WeakPolarHBondContact O-CA 3.13Å; T757-L760 WeakPolarHBondContact O-CB 3.41Å; T757-L760 PolarHBondContact O-N 3.01Å; L760-K763 PolarHBondContact O-N 2.76Å; L760-A764 WeakPolarHBondContact O-CB 3.41Å; L760-A764 PolarHBondContact O-N 3.24Å
761	E	71.9	Confident	69.9	Low	108 Å²	108	94.6 Å²	94.6	51%	0.505	49%	0.49	S	S	.	.	H	α-helix	trans	-59.2	-51.3	171	-70.8	153.6	-157.9	0	0	110.6	T757 K763 A764 L765	T757-E761 WeakPolarHBondContact O-CB 3.34Å; T757-E761 VanDerWaalsContact O-CG 3.31Å; T757-E761 WeakPolarHBondContact O-CG 3.44Å; T757-E761 PolarHBondContact O-N 2.83Å; E761-K763 VanDerWaalsContact C-N 3.29Å; E761-K763 PolarHBondContact O-N 3.25Å; E761-A764 PolarHBondContact O-N 3.4Å; E761-A764 VanDerWaalsContact O-N 3.1Å; E761-L765 WeakPolarHBondContact O-CG 3.43Å; E761-L765 PolarHBondContact O-N 3.05Å
762	L	77.8	Confident	71.3	Confident	64 Å²	64	95 Å²	95	34%	0.335	50%	0.496	S	S	.	.	H	α-helix	trans	-60.9	-34.4	174.5	-77.1	167.1	0	0	0	113	K758 R766	K758-L762 VanDerWaalsContact O-CB 3.31Å; K758-L762 WeakPolarHBondContact O-CB 3.5Å; K758-L762 VanDerWaalsContact O-CG 3.28Å; K758-L762 WeakPolarHBondContact O-CG 3.49Å; K758-L762 PolarHBondContact O-N 2.87Å; L762-R766 VanDerWaalsContact O-CB 3.32Å; L762-R766 WeakPolarHBondContact O-CB 3.42Å; L762-R766 VanDerWaalsContact O-CG 3.23Å; L762-R766 WeakPolarHBondContact O-CG 2.96Å; L762-R766 PolarHBondContact O-N 3.45Å; L762-R766 VanDerWaalsContact O-N 3.12Å
763	K	78.8	Confident	72.9	Confident	119 Å²	119	95.7 Å²	95.7	52%	0.517	49%	0.493	S	S	.	.	H	α-helix	trans	-69.9	-37.6	173.4	-79.6	167	-178.5	172.1	0	112.1	L759 L760 E761 A767	L759-K763 HydrophobicContact CD1-CD 4.49Å; L759-K763 HydrophobicContact CG-CD 4.25Å; L759-K763 WeakPolarHBondContact O-CB 3.49Å; L759-K763 WeakPolarHBondContact O-CD 3.25Å; L759-K763 WeakPolarHBondContact O-CG 3.32Å; L759-K763 PolarHBondContact O-N 3.34Å; L760-K763 PolarHBondContact O-N 2.76Å; E761-K763 VanDerWaalsContact C-N 3.29Å; E761-K763 PolarHBondContact O-N 3.25Å; K763-A767 WeakPolarHBondContact O-CB 3.24Å; K763-A767 PolarHBondContact O-N 3.02Å; K763-A767 VanDerWaalsContact O-N 3.16Å
764	A	78.2	Confident	74.5	Confident	55 Å²	55	98 Å²	98	46%	0.455	50%	0.496	S	S	.	.	H	α-helix	trans	-69	-48.1	177.4	0	0	0	0	0	111.4	L760 E761 R766 A767 V768	L760-A764 WeakPolarHBondContact O-CB 3.41Å; L760-A764 PolarHBondContact O-N 3.24Å; E761-A764 PolarHBondContact O-N 3.4Å; E761-A764 VanDerWaalsContact O-N 3.1Å; A764-R766 PolarHBondContact O-N 3.13Å; A764-A767 WeakPolarHBondContact O-CA 3.45Å; A764-A767 WeakPolarHBondContact O-CB 3.46Å; A764-A767 PolarHBondContact O-N 3.49Å; A764-V768 WeakPolarHBondContact O-CG2 3.44Å; A764-V768 PolarHBondContact O-N 3.05Å
765	L	81.2	Confident	75.8	Confident	102 Å²	102	99.5 Å²	99.5	53%	0.534	50%	0.503	S	S	.	.	H	α-helix	trans	-56.8	-51.5	175.1	-69.2	171.3	0	0	0	110.9	E761 A767 V768 E769	E761-L765 WeakPolarHBondContact O-CG 3.43Å; E761-L765 PolarHBondContact O-N 3.05Å; L765-A767 PolarHBondContact O-N 3.2Å; L765-V768 PolarHBondContact O-N 2.73Å; L765-E769 WeakPolarHBondContact O-CB 3.37Å; L765-E769 WeakPolarHBondContact O-CG 3.35Å; L765-E769 PolarHBondContact O-N 3.11Å
766	R	80.8	Confident	77	Confident	133 Å²	133	102.4 Å²	102.4	50%	0.502	51%	0.51	S	S	.	.	H	α-helix	trans	-64.3	-10.5	175.1	-68.8	176.9	-172.7	166.6	3.9	115.1	L762 A764 E769 R770	L762-R766 VanDerWaalsContact O-CB 3.32Å; L762-R766 WeakPolarHBondContact O-CB 3.42Å; L762-R766 VanDerWaalsContact O-CG 3.23Å; L762-R766 WeakPolarHBondContact O-CG 2.96Å; L762-R766 PolarHBondContact O-N 3.45Å; L762-R766 VanDerWaalsContact O-N 3.12Å; A764-R766 PolarHBondContact O-N 3.13Å; R766-E769 WeakPolarHBondContact CA-OE2 3.48Å; R766-R770 WeakPolarHBondContact O-CB 3.47Å; R766-R770 PolarHBondContact O-NE 2.84Å; R766-R770 PolarHBondContact O-NH2 3.45Å
767	A	81.3	Confident	78.4	Confident	56 Å²	56	101.8 Å²	101.8	46%	0.463	51%	0.506	S	S	.	.	H	α-helix	trans	-91.5	-39	171.3	0	0	0	0	0	111.2	K763 A764 L765 K771	K763-A767 WeakPolarHBondContact O-CB 3.24Å; K763-A767 PolarHBondContact O-N 3.02Å; K763-A767 VanDerWaalsContact O-N 3.16Å; A764-A767 WeakPolarHBondContact O-CA 3.45Å; A764-A767 WeakPolarHBondContact O-CB 3.46Å; A764-A767 PolarHBondContact O-N 3.49Å; L765-A767 PolarHBondContact O-N 3.2Å; A767-K771 WeakPolarHBondContact O-CB 3.23Å; A767-K771 PolarHBondContact O-N 2.82Å
768	V	83.4	Confident	79.3	Confident	101 Å²	101	104.5 Å²	104.5	61%	0.612	51%	0.512	S	S	*	.	H	α-helix	trans	-63.7	-48.1	171.6	175	0	0	0	0	110.6	A764 L765 R770 K771 A772	A764-V768 WeakPolarHBondContact O-CG2 3.44Å; A764-V768 PolarHBondContact O-N 3.05Å; L765-V768 PolarHBondContact O-N 2.73Å; V768-R770 PolarHBondContact O-N 3.01Å; V768-K771 PolarHBondContact O-N 3.12Å; V768-K771 VanDerWaalsContact O-N 3.15Å; V768-A772 WeakPolarHBondContact O-CB 3.38Å; V768-A772 PolarHBondContact O-N 3.15Å
769	E	81.4	Confident	80	Confident	118 Å²	118	103.3 Å²	103.3	55%	0.551	51%	0.511	S	S	*	.	H	α-helix	trans	-56.8	-49.1	176.1	-70.8	167.7	161.5	0	0	111.7	L765 R766 K771 A772 L773	L765-E769 WeakPolarHBondContact O-CB 3.37Å; L765-E769 WeakPolarHBondContact O-CG 3.35Å; L765-E769 PolarHBondContact O-N 3.11Å; R766-E769 WeakPolarHBondContact CA-OE2 3.48Å; E769-K771 VanDerWaalsContact C-N 3.32Å; E769-K771 PolarHBondContact O-N 3.41Å; E769-A772 PolarHBondContact O-N 3.41Å; E769-L773 WeakPolarHBondContact O-CB 3.32Å; E769-L773 PolarHBondContact O-N 3.43Å
770	R	80.6	Confident	80.2	Confident	163 Å²	163	105.4 Å²	105.4	62%	0.615	52%	0.519	S	S	*	.	H	α-helix	trans	-63.5	-35.5	176.6	-87.9	-177.3	-75.8	-174.2	-6.3	112.7	R766 V768 L773 M774	R766-R770 WeakPolarHBondContact O-CB 3.47Å; R766-R770 PolarHBondContact O-NE 2.84Å; R766-R770 PolarHBondContact O-NH2 3.45Å; V768-R770 PolarHBondContact O-N 3.01Å; R770-L773 PolarHBondContact O-N 3Å; R770-M774 WeakPolarHBondContact O-CB 3.23Å; R770-M774 WeakPolarHBondContact O-CG 3.17Å; R770-M774 PolarHBondContact O-N 2.85Å
771	K	86.9	Confident	80.3	Confident	149 Å²	149	103.8 Å²	103.8	65%	0.648	51%	0.511	S	S	*	.	H	α-helix	trans	-67.3	-42.5	173.9	-167.4	176.2	-177.8	-178.3	0	111.5	A767 V768 E769 L773 M774 N775	A767-K771 WeakPolarHBondContact O-CB 3.23Å; A767-K771 PolarHBondContact O-N 2.82Å; V768-K771 PolarHBondContact O-N 3.12Å; V768-K771 VanDerWaalsContact O-N 3.15Å; E769-K771 VanDerWaalsContact C-N 3.32Å; E769-K771 PolarHBondContact O-N 3.41Å; K771-L773 VanDerWaalsContact C-N 3.32Å; K771-L773 PolarHBondContact O-N 3.09Å; K771-M774 PolarHBondContact O-N 3.46Å; K771-N775 WeakPolarHBondContact O-CB 3.22Å; K771-N775 PolarHBondContact O-N 3.35Å; K771-N775 PolarHBondContact O-OD1 2.75Å
772	A	85.1	Confident	80.4	Confident	41 Å²	41	102 Å²	102	34%	0.339	51%	0.505	S	S	.	.	H	α-helix	trans	-68.3	-28.6	176.3	0	0	0	0	0	113.4	V768 E769 R776	V768-A772 WeakPolarHBondContact O-CB 3.38Å; V768-A772 PolarHBondContact O-N 3.15Å; E769-A772 PolarHBondContact O-N 3.41Å; A772-R776 WeakPolarHBondContact O-CB 3.29Å; A772-R776 WeakPolarHBondContact O-CG 3.49Å; A772-R776 PolarHBondContact O-N 3.43Å; A772-R776 PolarHBondContact O-NE 3.25Å
773	L	85.5	Confident	80.1	Confident	90 Å²	90	101.1 Å²	101.1	47%	0.471	51%	0.507	S	S	.	.	H	α-helix	trans	-76.2	-44.8	173.2	-172.2	152	0	0	0	111.3	E769 R770 K771 N775 R776 L777	E769-L773 WeakPolarHBondContact O-CB 3.32Å; E769-L773 PolarHBondContact O-N 3.43Å; R770-L773 PolarHBondContact O-N 3Å; K771-L773 VanDerWaalsContact C-N 3.32Å; K771-L773 PolarHBondContact O-N 3.09Å; L773-N775 VanDerWaalsContact C-N 3.32Å; L773-N775 PolarHBondContact O-N 3.28Å; L773-R776 PolarHBondContact O-N 2.95Å; L773-L777 HydrophobicContact CD2-CD1 3.58Å; L773-L777 HydrophobicContact CD2-CG 4.08Å; L773-L777 WeakPolarHBondContact O-CG 3.11Å; L773-L777 PolarHBondContact O-N 3.49Å
774	M	80.7	Confident	79.4	Confident	128 Å²	128	100.1 Å²	100.1	63%	0.631	51%	0.507	S	S	*	.	H	α-helix	trans	-63.9	-36.2	175.7	-69.4	-67.9	-100	0	0	112.3	R770 K771 K778	R770-M774 WeakPolarHBondContact O-CB 3.23Å; R770-M774 WeakPolarHBondContact O-CG 3.17Å; R770-M774 PolarHBondContact O-N 2.85Å; K771-M774 PolarHBondContact O-N 3.46Å; M774-K778 WeakPolarHBondContact O-CB 3.47Å; M774-K778 PolarHBondContact O-N 3.33Å
775	N	83.6	Confident	78.5	Confident	88 Å²	88	101.9 Å²	101.9	47%	0.471	51%	0.509	S	S	.	.	H	α-helix	trans	-61.9	-54.7	170.1	-78.3	23.8	0	0	0	110.8	K771 L773 L777 K778 D779	K771-N775 WeakPolarHBondContact O-CB 3.22Å; K771-N775 PolarHBondContact O-N 3.35Å; K771-N775 PolarHBondContact O-OD1 2.75Å; L773-N775 VanDerWaalsContact C-N 3.32Å; L773-N775 PolarHBondContact O-N 3.28Å; N775-L777 VanDerWaalsContact C-N 3.31Å; N775-L777 PolarHBondContact O-N 2.86Å; N775-K778 CarbonylContact O-C 3.58Å; N775-K778 WeakPolarHBondContact O-CA 3.43Å; N775-K778 VanDerWaalsContact O-CB 3.31Å; N775-K778 WeakPolarHBondContact O-CB 3.5Å; N775-K778 PolarHBondContact O-N 3.43Å; N775-D779 PolarHBondContact O-N 3.18Å; N775-D779 VanDerWaalsContact O-OD2 3.11Å
776	R	80.1	Confident	77.3	Confident	163 Å²	163	101.3 Å²	101.3	62%	0.615	51%	0.506	S	S	*	.	H	α-helix	trans	-59	-37.4	-179.8	-79.3	-177.1	-74.6	179.6	-2.1	113.8	A772 L773 K778 D779 Q780	A772-R776 WeakPolarHBondContact O-CB 3.29Å; A772-R776 WeakPolarHBondContact O-CG 3.49Å; A772-R776 PolarHBondContact O-N 3.43Å; A772-R776 PolarHBondContact O-NE 3.25Å; L773-R776 PolarHBondContact O-N 2.95Å; R776-K778 VanDerWaalsContact C-N 3.34Å; R776-D779 PolarHBondContact O-N 3.22Å; R776-Q780 WeakPolarHBondContact O-CB 3.33Å; R776-Q780 WeakPolarHBondContact O-CG 3.47Å; R776-Q780 PolarHBondContact O-N 3.23Å
777	L	80.4	Confident	75.9	Confident	78 Å²	78	99.8 Å²	99.8	41%	0.408	51%	0.508	S	S	.	.	H	α-helix	trans	-66.3	-35.2	171.8	-73.6	-179.3	0	0	0	112.1	L773 N775 N781	L773-L777 HydrophobicContact CD2-CD1 3.58Å; L773-L777 HydrophobicContact CD2-CG 4.08Å; L773-L777 WeakPolarHBondContact O-CG 3.11Å; L773-L777 PolarHBondContact O-N 3.49Å; N775-L777 VanDerWaalsContact C-N 3.31Å; N775-L777 PolarHBondContact O-N 2.86Å; L777-N781 WeakPolarHBondContact O-CB 3.48Å; L777-N781 PolarHBondContact O-N 2.88Å; L777-N781 PolarHBondContact O-ND2 2.67Å
778	K	82.5	Confident	74.5	Confident	123 Å²	123	102.3 Å²	102.3	54%	0.535	52%	0.518	S	S	.	.	H	α-helix	trans	-67	-47.7	172.8	-166.8	-178	-179.6	-73	0	110.8	M774 N775 R776 Q780 N781 D782	M774-K778 WeakPolarHBondContact O-CB 3.47Å; M774-K778 PolarHBondContact O-N 3.33Å; N775-K778 CarbonylContact O-C 3.58Å; N775-K778 WeakPolarHBondContact O-CA 3.43Å; N775-K778 VanDerWaalsContact O-CB 3.31Å; N775-K778 WeakPolarHBondContact O-CB 3.5Å; N775-K778 PolarHBondContact O-N 3.43Å; R776-K778 VanDerWaalsContact C-N 3.34Å; K778-Q780 VanDerWaalsContact C-N 3.31Å; K778-Q780 PolarHBondContact O-N 2.79Å; K778-N781 CarbonylContact O-C 3.55Å; K778-N781 PolarHBondContact O-N 2.76Å; K778-N781 VanDerWaalsContact O-N 3.09Å; K778-D782 IonicContact NZ-OD1 2.65Å; K778-D782 IonicContact NZ-OD2 3.24Å; K778-D782 PolarHBondContact NZ-OD2 2.93Å; K778-D782 WeakPolarHBondContact O-CB 3.24Å; K778-D782 PolarHBondContact O-N 3.11Å
779	D	80	Confident	72.9	Confident	96 Å²	96	104.2 Å²	104.2	51%	0.513	52%	0.518	S	S	.	.	H	α-helix	trans	-60.2	-40.4	-180	-53.8	-34.4	0	0	0	111.3	N775 R776 A783	N775-D779 PolarHBondContact O-N 3.18Å; N775-D779 VanDerWaalsContact O-OD2 3.11Å; R776-D779 PolarHBondContact O-N 3.22Å; D779-A783 WeakPolarHBondContact O-CB 3.23Å; D779-A783 PolarHBondContact O-N 2.8Å
780	Q	73.6	Confident	71.4	Confident	118 Å²	118	105.3 Å²	105.3	55%	0.551	53%	0.527	S	S	*	.	H	α-helix	trans	-65.9	-40.8	172.4	-77.4	179.2	-28.4	0	0	113.2	R776 K778 N784	R776-Q780 WeakPolarHBondContact O-CB 3.33Å; R776-Q780 WeakPolarHBondContact O-CG 3.47Å; R776-Q780 PolarHBondContact O-N 3.23Å; K778-Q780 VanDerWaalsContact C-N 3.31Å; K778-Q780 PolarHBondContact O-N 2.79Å; Q780-N784 WeakPolarHBondContact O-CB 3.26Å; Q780-N784 PolarHBondContact O-N 3Å; Q780-N784 PolarHBondContact O-ND2 3.01Å
781	N	71.9	Confident	69.9	Low	87 Å²	87	104.2 Å²	104.2	47%	0.465	53%	0.534	S	S	.	.	H	α-helix	trans	-69.5	-37.7	176	-80.5	-63.6	0	0	0	112	L777 K778 N785	L777-N781 WeakPolarHBondContact O-CB 3.48Å; L777-N781 PolarHBondContact O-N 2.88Å; L777-N781 PolarHBondContact O-ND2 2.67Å; K778-N781 CarbonylContact O-C 3.55Å; K778-N781 PolarHBondContact O-N 2.76Å; K778-N781 VanDerWaalsContact O-N 3.09Å; N781-N785 VanDerWaalsContact O-CB 3.31Å; N781-N785 WeakPolarHBondContact O-CB 3.03Å; N781-N785 PolarHBondContact O-N 2.95Å; N781-N785 PolarHBondContact O-ND2 2.97Å
782	D	75.5	Confident	67.7	Low	70 Å²	70	101.1 Å²	101.1	37%	0.374	54%	0.536	S	S	.	.	H	α-helix	trans	-69	-37.3	177.2	-71.2	-19.3	0	0	0	110.7	K778 N786	K778-D782 IonicContact NZ-OD1 2.65Å; K778-D782 IonicContact NZ-OD2 3.24Å; K778-D782 PolarHBondContact NZ-OD2 2.93Å; K778-D782 WeakPolarHBondContact O-CB 3.24Å; K778-D782 PolarHBondContact O-N 3.11Å; D782-N786 VanDerWaalsContact O-CG 3.26Å; D782-N786 PolarHBondContact O-N 3.3Å; D782-N786 PolarHBondContact O-ND2 3.08Å
783	A	70.6	Confident	65.4	Low	45 Å²	45	102.6 Å²	102.6	37%	0.372	56%	0.555	S	S	.	*	H	α-helix	trans	-62.8	-56.4	170.3	0	0	0	0	0	112.3	D779 N785 N786 D787	D779-A783 WeakPolarHBondContact O-CB 3.23Å; D779-A783 PolarHBondContact O-N 2.8Å; A783-N785 PolarHBondContact O-N 3.12Å; A783-N785 VanDerWaalsContact O-N 3.14Å; A783-N786 PolarHBondContact O-N 3.01Å; A783-D787 PolarHBondContact O-N 3.1Å
784	N	64	Low	63.1	Low	98 Å²	98	107.1 Å²	107.1	52%	0.524	57%	0.574	S	S	.	*	H	α-helix	trans	-57.9	-31.5	-179.4	-69.9	-15.9	0	0	0	112.9	Q780 N786 V788	Q780-N784 WeakPolarHBondContact O-CB 3.26Å; Q780-N784 PolarHBondContact O-N 3Å; Q780-N784 PolarHBondContact O-ND2 3.01Å; N784-N786 VanDerWaalsContact C-N 3.33Å; N784-V788 WeakPolarHBondContact O-CB 3.21Å; N784-V788 VanDerWaalsContact O-CG2 3.23Å; N784-V788 WeakPolarHBondContact O-CG2 3.23Å; N784-V788 PolarHBondContact O-N 2.9Å
785	N	58.9	Low	61	Low	92 Å²	92	107.4 Å²	107.4	49%	0.492	58%	0.583	S	S	.	*	H	α-helix	trans	-79	-10.9	176.5	-82.5	-70.9	0	0	0	114.5	N781 A783 K789	N781-N785 VanDerWaalsContact O-CB 3.31Å; N781-N785 WeakPolarHBondContact O-CB 3.03Å; N781-N785 PolarHBondContact O-N 2.95Å; N781-N785 PolarHBondContact O-ND2 2.97Å; A783-N785 PolarHBondContact O-N 3.12Å; A783-N785 VanDerWaalsContact O-N 3.14Å; N785-K789 WeakPolarHBondContact O-CD 3.25Å; N785-K789 WeakPolarHBondContact O-CG 3.35Å
786	N	56.7	Low	58.8	Low	90 Å²	90	112 Å²	112	48%	0.481	60%	0.598	S	S	.	*	H	α-helix	trans	-94.5	-46.8	172.8	-67.2	-27.9	0	0	0	110.7	D782 A783 N784 V788 K789 D790	D782-N786 VanDerWaalsContact O-CG 3.26Å; D782-N786 PolarHBondContact O-N 3.3Å; D782-N786 PolarHBondContact O-ND2 3.08Å; A783-N786 PolarHBondContact O-N 3.01Å; N784-N786 VanDerWaalsContact C-N 3.33Å; N786-V788 PolarHBondContact O-N 3.33Å; N786-V788 VanDerWaalsContact O-N 3.13Å; N786-K789 WeakPolarHBondContact O-CB 3.49Å; N786-K789 PolarHBondContact O-N 3.03Å; N786-D790 PolarHBondContact O-N 3.44Å
787	D	52.1	Low	56.8	Low	102 Å²	102	112.1 Å²	112.1	55%	0.545	61%	0.606	S	S	.	*	H	α-helix	trans	-58.5	-30.3	178.1	-66.4	-38.2	0	0	0	112.8	A783 N791	A783-D787 PolarHBondContact O-N 3.1Å; D787-N791 PolarHBondContact O-ND2 2.91Å
788	V	51.2	Low	54.6	Low	109 Å²	109	117 Å²	117	66%	0.661	63%	0.626	S	S	*	*	H	α-helix	trans	-76.2	-18.7	175.5	170.8	0	0	0	0	113.3	N784 N786	N784-V788 WeakPolarHBondContact O-CB 3.21Å; N784-V788 VanDerWaalsContact O-CG2 3.23Å; N784-V788 WeakPolarHBondContact O-CG2 3.23Å; N784-V788 PolarHBondContact O-N 2.9Å; N786-V788 PolarHBondContact O-N 3.33Å; N786-V788 VanDerWaalsContact O-N 3.13Å
789	K	49.9	Very low	52.2	Low	141 Å²	141	119.6 Å²	119.6	61%	0.613	64%	0.64	S	S	*	*	H	α-helix	trans	-87	-39.3	179.3	-75.7	175.2	-176.6	163	0	113.2	N785 N786 N791 A792	N785-K789 WeakPolarHBondContact O-CD 3.25Å; N785-K789 WeakPolarHBondContact O-CG 3.35Å; N786-K789 WeakPolarHBondContact O-CB 3.49Å; N786-K789 PolarHBondContact O-N 3.03Å; K789-N791 PolarHBondContact O-N 3.44Å; K789-A792 PolarHBondContact O-N 3.15Å
790	D	50.5	Low	50.1	Low	140 Å²	140	119.6 Å²	119.6	75%	0.749	65%	0.646	S	S	*	*	H	α-helix	trans	-72.5	-14.6	-175.2	-67.1	-15.9	0	0	0	113	N786	N786-D790 PolarHBondContact O-N 3.44Å
791	N	47	Very low	48	Very low	140 Å²	140	119.2 Å²	119.2	75%	0.749	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	8.3	-180	-73.1	-75.4	0	0	0	115.1	D787 K789	D787-N791 PolarHBondContact O-ND2 2.91Å; K789-N791 PolarHBondContact O-N 3.44Å
792	A	41.9	Very low	46.3	Very low	85 Å²	85	120.3 Å²	120.3	70%	0.702	67%	0.666	S	S	*	*	S	Bend	trans	-107.2	11.6	-174.2	0	0	0	0	0	115.2	K789	K789-A792 PolarHBondContact O-N 3.15Å
793	G	37.3	Very low	44.2	Very low	72 Å²	72	123 Å²	123	74%	0.742	68%	0.68	S	S	*	*	S	Bend	trans	-94.4	-25.8	-165.9	0	0	0	0	0	118
794	E	36.1	Very low	42.5	Very low	184 Å²	184	128.7 Å²	128.7	86%	0.86	70%	0.696	S	S	*	*			trans	-138.1	147	-176.1	-57.4	-171.8	134.6	0	0	108.6
795	V	37.3	Very low	40.9	Very low	134 Å²	134	133.3 Å²	133.3	81%	0.812	71%	0.712	S	S	*	*			cis	-136.9	157.6	22.2	171.2	0	0	0	0	110.4
796	K	37.2	Very low	39.5	Very low	184 Å²	184	133.3 Å²	133.3	80%	0.8	72%	0.719	S	S	*	*			trans	-102.7	159	171.2	-69.9	177	179.4	170.2	0	112.2
797	Q	37.1	Very low	38.1	Very low	167 Å²	167	139.8 Å²	139.8	78%	0.78	74%	0.736	S	S	*	*			trans	81	138.5	173.9	-46.8	168.3	54.5	0	0	112.9
798	H	35	Very low	36.9	Very low	179 Å²	179	142 Å²	142	83%	0.829	75%	0.747	S	S	*	*			cis	-124.6	164.3	11.9	-91.6	-87.1	0	0	0	115
799	Q	32.6	Very low	35.7	Very low	178 Å²	178	141.7 Å²	141.7	83%	0.832	75%	0.75	S	S	*	*			trans	-107.4	-167.2	173.4	-114.5	-171.1	31.9	0	0	109.4
800	P	35.5	Very low	34.8	Very low	97 Å²	97	141 Å²	141	63%	0.63	76%	0.758	S	S	*	*			cis	-140.7	178.6	3	32.2	-9	0	0	0	118.1
801	S	29.2	Very low	33.7	Very low	109 Å²	109	139.5 Å²	139.5	76%	0.762	76%	0.757	S	S	*	*			trans	75.9	158.7	148.4	76.1	0	0	0	0	119
802	V	35.8	Very low	33.2	Very low	111 Å²	111	139.6 Å²	139.6	67%	0.673	76%	0.758	S	S	*	*			cis	-146.9	138.2	21	-178.3	0	0	0	0	112.4
803	N	33	Very low	32.9	Very low	125 Å²	125	139.8 Å²	139.8	67%	0.668	75%	0.754	S	S	*	*			trans	52.5	159	159.9	-71.6	-26.3	0	0	0	120.5
804	K	33.4	Very low	32.8	Very low	165 Å²	165	142.6 Å²	142.6	72%	0.717	75%	0.752	S	S	*	*			cis	154	142.2	-24.9	-102.4	-178.4	-163.2	143.7	0	106.5
805	K	30.6	Very low	32.9	Very low	196 Å²	196	139.8 Å²	139.8	85%	0.852	74%	0.743	S	S	*	*			trans	70.8	153.2	160.1	-69.9	175.1	-179.8	-178	0	116.4
806	S	29.3	Very low	32.8	Very low	91 Å²	91	139.8 Å²	139.8	64%	0.636	74%	0.738	S	S	*	*			cis	-174.2	158.8	-12	49.9	0	0	0	0	113.6
807	R	29	Very low	32.5	Very low	226 Å²	226	135.5 Å²	135.5	85%	0.853	73%	0.73	S	S	*	*			trans	71.8	132.4	154.3	-75.5	168.9	175.8	179.5	-3.9	116
808	L	26	Very low	32.1	Very low	148 Å²	148	133.5 Å²	133.5	78%	0.775	73%	0.729	S	S	*	*			cis	90.3	137.2	43.4	-173.9	81.2	0	0	0	111.9
809	S	26.3	Very low	32	Very low	103 Å²	103	128.9 Å²	128.9	72%	0.72	72%	0.717	S	S	*	*			trans	71.3	153.3	171.2	68.1	0	0	0	0	115.7
810	T	30.1	Very low	31.7	Very low	126 Å²	126	125.6 Å²	125.6	77%	0.773	71%	0.709	S	S	*	*			cis	-144	159.8	14.1	-34.3	0	0	0	0	112.5
811	C	27.9	Very low	31.3	Very low	109 Å²	109	128.1 Å²	128.1	74%	0.736	72%	0.717	S	S	*	*			trans	-69.1	166.3	165.5	-49	0	0	0	0	112.4
812	N	35.8	Very low	31.3	Very low	143 Å²	143	131.5 Å²	131.5	77%	0.765	72%	0.718	S	S	*	*				-175.6	122.6	123.2	-86.1	-8.7	0	0	0	106.9
813	S	35.5	Very low	31	Very low	88 Å²	88	132.9 Å²	132.9	62%	0.615	72%	0.72	S	S	*	*				66.6	119.9	84.1	96.9	0	0	0	0	110.2
814	D	36.8	Very low	30.8	Very low	132 Å²	132	132.1 Å²	132.1	71%	0.706	72%	0.716	S	S	*	*				-171	169	67.9	-75	-23	0	0	0	108.1
815	N	36.7	Very low	30.5	Very low	124 Å²	124	134.3 Å²	134.3	66%	0.663	72%	0.72	S	S	*	*			cis	-158	163.7	0.8	-117.8	-15.8	0	0	0	110.2
816	D	36.1	Very low	30.4	Very low	134 Å²	134	129.7 Å²	129.7	72%	0.717	71%	0.712	S	S	*	*			trans	56.3	143.2	152.8	-62.7	-41.7	0	0	0	121.4
817	C	30.8	Very low	30.6	Very low	94 Å²	94	131.7 Å²	131.7	64%	0.635	71%	0.714	S	S	*	*			cis	-154.4	135	-9.9	-121.5	0	0	0	0	107.3
818	V	29.3	Very low	30.7	Very low	125 Å²	125	128.3 Å²	128.3	76%	0.758	71%	0.706	S	S	*	*				63.2	125.2	92.5	169.7	0	0	0	0	113.4
819	S	31.6	Very low	31	Very low	83 Å²	83	131.2 Å²	131.2	58%	0.58	71%	0.706	S	S	*	*			cis	-173.7	-179.3	-4.2	57.5	0	0	0	0	113.4
820	T	27.8	Very low	31.1	Very low	108 Å²	108	130.2 Å²	130.2	66%	0.663	70%	0.7	S	S	*	*			trans	63.5	114.3	151.5	52.1	0	0	0	0	118.7
821	L	25.9	Very low	31.2	Very low	150 Å²	150	132.4 Å²	132.4	79%	0.785	70%	0.698	S	S	*	*				56.3	114.5	81.6	-63	176.2	0	0	0	114
822	K	30.6	Very low	31.4	Very low	181 Å²	181	133.2 Å²	133.2	79%	0.787	69%	0.691	S	S	*	*				172.3	128.3	109.5	-91.2	168.6	-175.5	173.3	0	114.3
823	I	29.5	Very low	31.1	Very low	140 Å²	140	133.1 Å²	133.1	72%	0.718	69%	0.691	S	S	*	*				66.7	98.5	123.7	-59.2	173.6	0	0	0	119.3
824	D	27.6	Very low	30.7	Very low	108 Å²	108	136.9 Å²	136.9	58%	0.578	70%	0.7	S	S	*	*				67.4	143.1	113.6	-156.4	13.9	0	0	0	121.8
825	R	28.4	Very low	30.4	Very low	211 Å²	211	137.3 Å²	137.3	80%	0.796	71%	0.708	S	S	*	*			trans	62.5	151.6	174.2	-68.6	153.5	-134.8	-171.3	8.1	114.6
826	S	28.3	Very low	30.1	Very low	99 Å²	99	136 Å²	136	69%	0.692	71%	0.708	S	S	*	*			cis	-162.8	166.7	-4.6	-112.7	0	0	0	0	106
827	I	31.7	Very low	29.9	Very low	133 Å²	133	139.2 Å²	139.2	68%	0.682	72%	0.716	S	S	*	*			cis	-163.8	162.2	27.7	-138.6	158.5	0	0	0	111
828	K	32.5	Very low	29.7	Very low	156 Å²	156	140.3 Å²	140.3	68%	0.678	73%	0.725	S	S	*	*			trans	2.5	146.1	144.8	-68	166.1	-170.1	166.5	0	117.7
829	R	32.4	Very low	30	Very low	209 Å²	209	139 Å²	139	79%	0.789	72%	0.719	S	S	*	*			cis	-171.2	147.4	18	-107.8	160.4	-179.2	174.7	-4.3	105.2
830	S	28.2	Very low	29.8	Very low	82 Å²	82	142.2 Å²	142.2	57%	0.573	73%	0.73	S	S	*	*			cis	118	137.5	29.5	73.2	0	0	0	0	110.2
831	K	31.4	Very low	29.7	Very low	171 Å²	171	142.4 Å²	142.4	74%	0.743	74%	0.736	S	S	*	*			trans	70.5	159.3	145.2	-71.9	169.7	156.7	-134	0	117.2
832	E	32	Very low	29.8	Very low	127 Å²	127	140.4 Å²	140.4	59%	0.593	73%	0.732	S	S	*	*			cis	-155.8	161.7	4.8	-132.2	141.5	-164.5	0	0	113
833	N	30.7	Very low	29.5	Very low	140 Å²	140	142.1 Å²	142.1	75%	0.749	74%	0.735	S	S	*	*			trans	62.4	135.1	160	-57.6	-27.4	0	0	0	119.8
834	M	26.5	Very low	29.3	Very low	167 Å²	167	142 Å²	142	82%	0.823	74%	0.736	S	S	*	*			cis	86.6	89.7	34.1	-70.4	-73.6	-160.8	0	0	115.8
835	T	31.8	Very low	29.1	Very low	141 Å²	141	143.1 Å²	143.1	87%	0.865	75%	0.747	S	S	*	*			trans	166.7	148.8	141.5	44.7	0	0	0	0	110.2
836	S	28.9	Very low	29	Very low	96 Å²	96	141.2 Å²	141.2	67%	0.671	75%	0.75	S	S	*	*			cis	-172.9	138	-31.4	53	0	0	0	0	110.2
837	K	32.2	Very low	28.7	Very low	202 Å²	202	141.4 Å²	141.4	88%	0.878	75%	0.751	S	S	*	*			trans	66.4	118.3	164.6	-62	177.2	178.8	176.1	0	119.8
838	S	27.7	Very low	28.6	Very low	117 Å²	117	140.7 Å²	140.7	82%	0.818	76%	0.756	S	S	*	*			trans	26.7	154.5	130.6	-97.1	0	0	0	0	123.3
839	P	33.5	Very low	28.2	Very low	99 Å²	99	145 Å²	145	64%	0.643	77%	0.768	S	S	*	*			cis	-132.8	-172	12	41.4	-24.2	0	0	0	116.1
840	N	28.6	Very low	27.8	Very low	149 Å²	149	140 Å²	140	80%	0.797	76%	0.763	S	S	*	*			trans	78.3	60.9	161.9	-57.5	-13.6	0	0	0	119.5
841	S	26	Very low	27.6	Very low	113 Å²	113	139.9 Å²	139.9	79%	0.79	76%	0.762	S	S	*	*				12.7	146	112	-153.5	0	0	0	0	119.7
842	P	27.6	Very low	27.4	Very low	108 Å²	108	137.7 Å²	137.7	70%	0.701	76%	0.757	S	S	*	*			cis	-138.1	176.1	-38.9	39.8	-24.2	0	0	0	114.6
843	Y	24.6	Very low	27.3	Very low	216 Å²	216	136.1 Å²	136.1	85%	0.847	75%	0.753	S	S	*	*			trans	-67.5	169.9	174.3	-90.2	-105.9	0	0	0	116.3
844	D	24.5	Very low	27.2	Very low	139 Å²	139	135 Å²	135	74%	0.743	75%	0.746	S	S	*	*	S	Bend	trans	-40.9	167.4	155.5	-58.7	-83.6	0	0	0	117.2
845	T	24.3	Very low	27.4	Very low	131 Å²	131	132.5 Å²	132.5	80%	0.804	74%	0.736	S	S	*	*			trans	74.1	80.7	155.4	-43.8	0	0	0	0	117.8
846	I	26.4	Very low	27.4	Very low	170 Å²	170	128.8 Å²	128.8	87%	0.872	71%	0.71	S	S	*	*			trans	-136.2	111.6	154.7	-59.7	-178.1	0	0	0	110.5
847	S	22	Very low	27.6	Very low	103 Å²	103	125.9 Å²	125.9	72%	0.72	70%	0.696	S	S	*	*			trans	-91.6	176.5	160.2	-45.7	0	0	0	0	109.5
848	P	28.9	Very low	27.7	Very low	119 Å²	119	120.8 Å²	120.8	77%	0.773	68%	0.678	S	S	*	*			cis	-132.2	-175.3	-9.6	42.3	-27.2	0	0	0	113.3
849	R	23.9	Very low	28.2	Very low	245 Å²	245	116.6 Å²	116.6	93%	0.925	65%	0.653	S	S	*	*			trans	-160	153.1	134.2	-110.5	-177.8	176.8	-156.2	-4.1	111.2
850	P	23.5	Very low	28.4	Very low	106 Å²	106	113 Å²	113	69%	0.688	63%	0.629	S	S	*	*			trans	-95.2	150	-157	35.9	-36.4	0	0	0	116.3	I852	P850-I852 PolarHBondContact O-N 3.3Å
851	S	24.5	Very low	29.1	Very low	79 Å²	79	110.4 Å²	110.4	55%	0.552	62%	0.615	S	S	*	*			trans	39.4	65.6	138.5	-48.2	0	0	0	0	119.1	N853	S851-N853 PolarHBondContact O-N 3.25Å
852	I	27.5	Very low	30.2	Very low	125 Å²	125	109.2 Å²	109.2	64%	0.641	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-32	164.8	-66.4	177.2	0	0	0	111.1	P850 N854 N855 I856	P850-I852 PolarHBondContact O-N 3.3Å; I852-N854 PolarHBondContact O-N 3.22Å; I852-N854 VanDerWaalsContact O-N 3.11Å; I852-N855 PolarHBondContact O-N 3.06Å; I852-I856 HydrophobicContact CG2-CD1 4.36Å; I852-I856 HydrophobicContact CG2-CG1 4.49Å
853	N	28.7	Very low	31	Very low	94 Å²	94	106.5 Å²	106.5	50%	0.503	58%	0.579	S	S	.	*	H	α-helix	trans	-60.6	-24.4	-174.1	-63	39.6	0	0	0	114.1	S851	S851-N853 PolarHBondContact O-N 3.25Å
854	N	29.2	Very low	32	Very low	115 Å²	115	97.7 Å²	97.7	62%	0.615	55%	0.554	S	S	*	*	H	α-helix	trans	-76	-28.6	176.4	-68.2	28.5	0	0	0	112.4	I852 N858	I852-N854 PolarHBondContact O-N 3.22Å; I852-N854 VanDerWaalsContact O-N 3.11Å; N854-N858 PolarHBondContact O-N 2.98Å
855	N	30.4	Very low	33.2	Very low	115 Å²	115	95 Å²	95	62%	0.615	54%	0.54	S	S	*	.	H	α-helix	trans	-80.6	-20.7	-179.5	-68.4	-7.7	0	0	0	112.6	I852 G859	I852-N855 PolarHBondContact O-N 3.06Å; N855-G859 PolarHBondContact O-N 2.81Å
856	I	32.2	Very low	34.2	Very low	63 Å²	63	93.7 Å²	93.7	32%	0.323	53%	0.526	S	S	.	.	H	α-helix	trans	-71.8	-40.9	174.1	-55	174.5	0	0	0	109.8	I852 N858 G859 V860 Q896	I852-I856 HydrophobicContact CG2-CD1 4.36Å; I852-I856 HydrophobicContact CG2-CG1 4.49Å; I856-N858 PolarHBondContact O-N 2.99Å; I856-G859 PolarHBondContact O-N 3.43Å; I856-V860 WeakPolarHBondContact O-CB 3.07Å; I856-V860 VanDerWaalsContact O-CG2 3.28Å; I856-V860 WeakPolarHBondContact O-CG2 3.48Å; I856-V860 PolarHBondContact O-N 3.29Å; I856-Q896 VanDerWaalsContact CG2-OE1 3.24Å
857	G	32.3	Very low	35	Very low	35 Å²	35	87.5 Å²	87.5	36%	0.361	49%	0.494	S	S	.	.	H	α-helix	trans	-59.3	-44.3	173.1	0	0	0	0	0	112.9	V860 N861	G857-V860 PolarHBondContact O-N 2.92Å; G857-N861 PolarHBondContact O-N 3.3Å; G857-N861 VanDerWaalsContact O-N 3.08Å
858	N	34.9	Very low	36.2	Very low	96 Å²	96	89.7 Å²	89.7	51%	0.513	49%	0.493	S	S	.	.	H	α-helix	trans	-63.1	-51.2	175.6	-71.9	8.7	0	0	0	111.8	N854 I856 V860 N861 D862	N854-N858 PolarHBondContact O-N 2.98Å; I856-N858 PolarHBondContact O-N 2.99Å; N858-V860 PolarHBondContact O-N 3.16Å; N858-V860 VanDerWaalsContact O-N 3.09Å; N858-N861 CarbonylContact O-C 3.58Å; N858-N861 WeakPolarHBondContact O-CA 3.49Å; N858-N861 WeakPolarHBondContact O-CB 3.22Å; N858-N861 PolarHBondContact O-N 2.97Å; N858-D862 PolarHBondContact O-N 2.99Å
859	G	38	Very low	37	Very low	28 Å²	28	91 Å²	91	29%	0.289	49%	0.489	S	S	.	.	H	α-helix	trans	-60.5	-23.5	179.4	0	0	0	0	0	114.4	N855 I856 D862 I863	N855-G859 PolarHBondContact O-N 2.81Å; I856-G859 PolarHBondContact O-N 3.43Å; G859-D862 WeakPolarHBondContact CA-OD2 3.3Å; G859-I863 WeakPolarHBondContact O-CD1 2.86Å; G859-I863 VanDerWaalsContact O-CG1 3.27Å; G859-I863 WeakPolarHBondContact O-CG1 3.17Å; G859-I863 PolarHBondContact O-N 2.88Å
860	V	39	Very low	37.9	Very low	24 Å²	24	83.5 Å²	83.5	15%	0.145	47%	0.467	C	S	.	.	H	α-helix	trans	-80.9	-34.8	173.6	168.5	0	0	0	0	112	I856 G857 N858 I863 G864 L900	I856-V860 WeakPolarHBondContact O-CB 3.07Å; I856-V860 VanDerWaalsContact O-CG2 3.28Å; I856-V860 WeakPolarHBondContact O-CG2 3.48Å; I856-V860 PolarHBondContact O-N 3.29Å; G857-V860 PolarHBondContact O-N 2.92Å; N858-V860 PolarHBondContact O-N 3.16Å; N858-V860 VanDerWaalsContact O-N 3.09Å; V860-I863 PolarHBondContact O-N 3.11Å; V860-G864 PolarHBondContact O-N 3.48Å; V860-G864 VanDerWaalsContact O-N 3.07Å; V860-L900 HydrophobicContact CG1-CD1 3.54Å; V860-L900 HydrophobicContact CG1-CD2 3.27Å; V860-L900 HydrophobicContact CG1-CG 4.03Å
861	N	43.3	Very low	38.8	Very low	94 Å²	94	85 Å²	85	50%	0.503	47%	0.465	S	S	.	.	H	α-helix	trans	-67.3	-38.6	168.3	-68.4	-20.3	0	0	0	111.7	G857 N858 I863 G864 N865	G857-N861 PolarHBondContact O-N 3.3Å; G857-N861 VanDerWaalsContact O-N 3.08Å; N858-N861 CarbonylContact O-C 3.58Å; N858-N861 WeakPolarHBondContact O-CA 3.49Å; N858-N861 WeakPolarHBondContact O-CB 3.22Å; N858-N861 PolarHBondContact O-N 2.97Å; N861-I863 VanDerWaalsContact C-N 3.32Å; N861-I863 PolarHBondContact O-N 3.39Å; N861-G864 CarbonylContact O-C 3.53Å; N861-G864 WeakPolarHBondContact O-CA 3.41Å; N861-G864 PolarHBondContact O-N 3.24Å; N861-N865 PolarHBondContact O-N 2.9Å
862	D	47.5	Very low	39.7	Very low	88 Å²	88	88.9 Å²	88.9	47%	0.471	48%	0.479	S	S	.	.	H	α-helix	trans	-60.7	-41.6	175.7	-60.9	-32.6	0	0	0	110.8	N858 G859 G864 N865 M866	N858-D862 PolarHBondContact O-N 2.99Å; G859-D862 WeakPolarHBondContact CA-OD2 3.3Å; D862-G864 VanDerWaalsContact C-N 3.35Å; D862-N865 PolarHBondContact O-N 2.85Å; D862-M866 WeakPolarHBondContact O-CB 3.41Å; D862-M866 WeakPolarHBondContact O-CG 3.38Å; D862-M866 PolarHBondContact O-N 2.99Å
863	I	46.2	Very low	40.9	Very low	52 Å²	52	84.4 Å²	84.4	27%	0.267	46%	0.459	S	S	.	.	H	α-helix	trans	-61.9	-41	170.9	-71.7	164.3	0	0	0	111.3	G859 V860 N861 N865 M866 I867 F883	G859-I863 WeakPolarHBondContact O-CD1 2.86Å; G859-I863 VanDerWaalsContact O-CG1 3.27Å; G859-I863 WeakPolarHBondContact O-CG1 3.17Å; G859-I863 PolarHBondContact O-N 2.88Å; V860-I863 PolarHBondContact O-N 3.11Å; N861-I863 VanDerWaalsContact C-N 3.32Å; N861-I863 PolarHBondContact O-N 3.39Å; I863-N865 PolarHBondContact O-N 3.49Å; I863-M866 PolarHBondContact O-N 3.46Å; I863-I867 HydrophobicContact CG2-CD1 3.78Å; I863-I867 HydrophobicContact CG2-CG1 4.5Å; I863-I867 WeakPolarHBondContact O-CB 3.31Å; I863-I867 WeakPolarHBondContact O-CD1 3.46Å; I863-I867 VanDerWaalsContact O-CG1 3.25Å; I863-I867 WeakPolarHBondContact O-CG1 3.36Å; I863-I867 PolarHBondContact O-N 3.25Å; I863-F883 HydrophobicContact CD1-CD2 4.28Å; I863-F883 HydrophobicContact CD1-CE2 3.86Å; I863-F883 HydrophobicContact CD1-CZ 4.14Å
864	G	44.4	Very low	41.8	Very low	31 Å²	31	83.8 Å²	83.8	32%	0.32	46%	0.462	S	S	.	.	H	α-helix	trans	-59.2	-43.9	174.8	0	0	0	0	0	113.1	V860 N861 D862 I867 Q868	V860-G864 PolarHBondContact O-N 3.48Å; V860-G864 VanDerWaalsContact O-N 3.07Å; N861-G864 CarbonylContact O-C 3.53Å; N861-G864 WeakPolarHBondContact O-CA 3.41Å; N861-G864 PolarHBondContact O-N 3.24Å; D862-G864 VanDerWaalsContact C-N 3.35Å; G864-I867 PolarHBondContact O-N 2.86Å; G864-Q868 PolarHBondContact O-N 2.95Å
865	N	49.5	Very low	42.6	Very low	83 Å²	83	85.1 Å²	85.1	44%	0.444	47%	0.465	S	S	.	.	H	α-helix	trans	-67.7	-45	176.7	-62.3	-21.2	0	0	0	111.4	N861 D862 I863 I867 Q868 E869	N861-N865 PolarHBondContact O-N 2.9Å; D862-N865 PolarHBondContact O-N 2.85Å; I863-N865 PolarHBondContact O-N 3.49Å; N865-I867 PolarHBondContact O-N 2.68Å; N865-Q868 WeakPolarHBondContact O-CB 3.28Å; N865-Q868 PolarHBondContact O-N 3.39Å; N865-E869 PolarHBondContact O-N 2.78Å
866	M	44.9	Very low	43.6	Very low	103 Å²	103	80.9 Å²	80.9	51%	0.507	44%	0.442	S	S	.	.	H	α-helix	trans	-60.5	-31.5	176.2	-74.4	-177.2	68.1	0	0	113.2	D862 I863 N870	D862-M866 WeakPolarHBondContact O-CB 3.41Å; D862-M866 WeakPolarHBondContact O-CG 3.38Å; D862-M866 PolarHBondContact O-N 2.99Å; I863-M866 PolarHBondContact O-N 3.46Å; M866-N870 PolarHBondContact O-N 3.02Å
867	I	44.1	Very low	44.4	Very low	39 Å²	39	82.7 Å²	82.7	20%	0.2	45%	0.449	C	S	.	.	H	α-helix	trans	-69.8	-38.7	173.8	-72.6	165.5	0	0	0	111.1	I863 G864 N865 E869 I876 V880 A908	I863-I867 HydrophobicContact CG2-CD1 3.78Å; I863-I867 HydrophobicContact CG2-CG1 4.5Å; I863-I867 WeakPolarHBondContact O-CB 3.31Å; I863-I867 WeakPolarHBondContact O-CD1 3.46Å; I863-I867 VanDerWaalsContact O-CG1 3.25Å; I863-I867 WeakPolarHBondContact O-CG1 3.36Å; I863-I867 PolarHBondContact O-N 3.25Å; G864-I867 PolarHBondContact O-N 2.86Å; N865-I867 PolarHBondContact O-N 2.68Å; I867-E869 VanDerWaalsContact C-N 3.35Å; I867-I876 HydrophobicContact CG1-CG2 3.88Å; I867-V880 HydrophobicContact CD1-CG2 4.05Å; I867-A908 HydrophobicContact CG2-CB 3.65Å
868	Q	47.2	Very low	45.4	Very low	149 Å²	149	84.9 Å²	84.9	70%	0.696	45%	0.452	S	S	*	.	H	α-helix	trans	-67.8	-31.5	174.6	-70.9	-176.5	-16.5	0	0	113.1	G864 N865	G864-Q868 PolarHBondContact O-N 2.95Å; N865-Q868 WeakPolarHBondContact O-CB 3.28Å; N865-Q868 PolarHBondContact O-N 3.39Å
869	E	46.6	Very low	46.3	Very low	148 Å²	148	84.7 Å²	84.7	69%	0.692	45%	0.45	S	S	*	.	H	α-helix	trans	-81.9	-20.6	-179	-70	179.3	171.6	0	0	114.1	N865 I867	N865-E869 PolarHBondContact O-N 2.78Å; I867-E869 VanDerWaalsContact C-N 3.35Å
870	N	41.7	Very low	47.1	Very low	86 Å²	86	84.8 Å²	84.8	46%	0.46	45%	0.445	S	S	.	.			trans	-144	50.3	-167	-79.5	-88.1	0	0	0	114.1	M866 N872 S873 I876	M866-N870 PolarHBondContact O-N 3.02Å; N870-N872 PolarHBondContact O-N 3.33Å; N870-S873 PolarHBondContact O-N 3.24Å; N870-S873 VanDerWaalsContact O-N 3.14Å; N870-I876 HydrophobicContact CB-CD1 3.44Å; N870-I876 VanDerWaalsContact CB-CD1 3.44Å
871	E	42.1	Very low	47.7	Very low	137 Å²	137	90 Å²	90	64%	0.64	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-26.4	-177.9	-60.5	-173.8	137.6	0	0	115.1
872	N	44.9	Very low	48.5	Very low	161 Å²	161	91.2 Å²	91.2	86%	0.861	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	4.7	-174	-69.1	-63.7	0	0	0	115.5	N870 S874	N870-N872 PolarHBondContact O-N 3.33Å; N872-S874 PolarHBondContact O-N 2.96Å
873	S	52.6	Low	48.5	Very low	31 Å²	31	90.8 Å²	90.8	22%	0.217	46%	0.462	C	S	.	.			trans	-83.9	115.6	-176.7	-176.2	0	0	0	0	113.1	N870 Q875 I876 Q877	N870-S873 PolarHBondContact O-N 3.24Å; N870-S873 VanDerWaalsContact O-N 3.14Å; S873-Q875 PolarHBondContact O-N 2.04Å; S873-Q875 PolarHBondContact OG-N 3.16Å; S873-I876 PolarHBondContact O-N 3.37Å; S873-Q877 PolarHBondContact O-N 3.07Å
874	S	45.9	Very low	48.9	Very low	81 Å²	81	92.2 Å²	92.2	57%	0.566	47%	0.47	S	S	*	.	H	α-helix	trans	-57.6	-34.4	171.7	54.4	0	0	0	0	112.6	N872 I876 Q877 D878	N872-S874 PolarHBondContact O-N 2.96Å; S874-I876 VanDerWaalsContact C-N 3.31Å; S874-I876 PolarHBondContact O-N 2.89Å; S874-Q877 PolarHBondContact O-N 3.5Å; S874-D878 PolarHBondContact O-N 3.12Å
875	Q	46.5	Very low	49.2	Very low	143 Å²	143	96.3 Å²	96.3	67%	0.668	48%	0.482	S	S	*	.	H	α-helix	trans	-63.2	-36.8	175.9	-61.2	177.4	-4.4	0	0	111.6	S873 D878 I879	S873-Q875 PolarHBondContact O-N 2.04Å; S873-Q875 PolarHBondContact OG-N 3.16Å; Q875-D878 PolarHBondContact O-N 3.13Å; Q875-I879 WeakPolarHBondContact O-CB 3.41Å; Q875-I879 WeakPolarHBondContact O-CD1 3.13Å; Q875-I879 WeakPolarHBondContact O-CG1 3.15Å; Q875-I879 PolarHBondContact O-N 3.44Å
876	I	50.9	Low	48.9	Very low	27 Å²	27	97.2 Å²	97.2	14%	0.138	48%	0.484	C	S	.	.	H	α-helix	trans	-69.9	-39.8	175.6	-65.7	-179.9	0	0	0	110.4	I867 N870 S873 S874 D878 I879 V880	I867-I876 HydrophobicContact CG1-CG2 3.88Å; N870-I876 HydrophobicContact CB-CD1 3.44Å; N870-I876 VanDerWaalsContact CB-CD1 3.44Å; S873-I876 PolarHBondContact O-N 3.37Å; S874-I876 VanDerWaalsContact C-N 3.31Å; S874-I876 PolarHBondContact O-N 2.89Å; I876-D878 VanDerWaalsContact C-N 3.33Å; I876-D878 PolarHBondContact O-N 3.05Å; I876-I879 PolarHBondContact O-N 3.19Å; I876-V880 HydrophobicContact CG2-CG2 4.34Å; I876-V880 WeakPolarHBondContact O-CB 3.01Å; I876-V880 VanDerWaalsContact O-CG2 3.29Å; I876-V880 WeakPolarHBondContact O-CG2 3.42Å; I876-V880 PolarHBondContact O-N 2.69Å
877	Q	50.7	Low	49	Very low	101 Å²	101	92.5 Å²	92.5	47%	0.472	46%	0.461	S	S	.	.	H	α-helix	trans	-59.9	-42	173.3	-64.6	-167.9	7.1	0	0	112.3	S873 S874 V880 R881	S873-Q877 PolarHBondContact O-N 3.07Å; S874-Q877 PolarHBondContact O-N 3.5Å; Q877-V880 PolarHBondContact O-N 2.69Å; Q877-R881 WeakPolarHBondContact O-CB 3.43Å; Q877-R881 VanDerWaalsContact O-CG 3.28Å; Q877-R881 WeakPolarHBondContact O-CG 3.37Å; Q877-R881 PolarHBondContact O-N 2.79Å
878	D	53.5	Low	49	Very low	80 Å²	80	97.2 Å²	97.2	43%	0.428	48%	0.478	S	S	.	.	H	α-helix	trans	-73.2	-35.1	178.2	-73.8	-29.2	0	0	0	113.1	S874 Q875 I876 R881 L882	S874-D878 PolarHBondContact O-N 3.12Å; Q875-D878 PolarHBondContact O-N 3.13Å; I876-D878 VanDerWaalsContact C-N 3.33Å; I876-D878 PolarHBondContact O-N 3.05Å; D878-R881 PolarHBondContact O-N 3.05Å; D878-R881 WeakPolarHBondContact OD1-CD 3.45Å; D878-R881 IonicContact OD1-CZ 2.9Å; D878-R881 IonicContact OD1-NE 2.69Å; D878-R881 IonicContact OD1-NH1 3.91Å; D878-R881 PolarHBondContact OD1-NH1 3.39Å; D878-L882 WeakPolarHBondContact O-CB 3.32Å; D878-L882 VanDerWaalsContact O-CG 3.27Å; D878-L882 WeakPolarHBondContact O-CG 3.44Å; D878-L882 PolarHBondContact O-N 3.02Å
879	I	53.8	Low	48.8	Very low	92 Å²	92	96.7 Å²	96.7	47%	0.472	48%	0.475	S	S	.	.	H	α-helix	trans	-60.8	-44.8	169.3	-72.3	163.8	0	0	0	110.4	Q875 I876 L882 F883	Q875-I879 WeakPolarHBondContact O-CB 3.41Å; Q875-I879 WeakPolarHBondContact O-CD1 3.13Å; Q875-I879 WeakPolarHBondContact O-CG1 3.15Å; Q875-I879 PolarHBondContact O-N 3.44Å; I876-I879 PolarHBondContact O-N 3.19Å; I879-L882 PolarHBondContact O-N 2.03Å; I879-F883 WeakPolarHBondContact O-CB 3.41Å; I879-F883 PolarHBondContact O-N 3.31Å
880	V	54	Low	48.8	Very low	31 Å²	31	91.6 Å²	91.6	19%	0.188	46%	0.456	C	S	.	.	H	α-helix	trans	-66	-41.6	177.3	169.5	0	0	0	0	111.4	I867 I876 Q877 L882 F883 L884	I867-V880 HydrophobicContact CD1-CG2 4.05Å; I876-V880 HydrophobicContact CG2-CG2 4.34Å; I876-V880 WeakPolarHBondContact O-CB 3.01Å; I876-V880 VanDerWaalsContact O-CG2 3.29Å; I876-V880 WeakPolarHBondContact O-CG2 3.42Å; I876-V880 PolarHBondContact O-N 2.69Å; Q877-V880 PolarHBondContact O-N 2.69Å; V880-L882 PolarHBondContact O-N 3.24Å; V880-F883 PolarHBondContact O-N 3.12Å; V880-L884 HydrophobicContact CG1-CD1 3.82Å; V880-L884 HydrophobicContact CG1-CG 4.44Å; V880-L884 WeakPolarHBondContact O-CB 3.36Å; V880-L884 WeakPolarHBondContact O-CD1 3.31Å; V880-L884 WeakPolarHBondContact O-CG 3.46Å; V880-L884 PolarHBondContact O-N 2.71Å
881	R	51.7	Low	48.7	Very low	132 Å²	132	92.5 Å²	92.5	50%	0.498	46%	0.461	S	S	.	.	H	α-helix	trans	-57.9	-46.1	171.7	-75.2	170.3	-173.4	126.8	12.5	111.7	Q877 D878 L884 M885	Q877-R881 WeakPolarHBondContact O-CB 3.43Å; Q877-R881 VanDerWaalsContact O-CG 3.28Å; Q877-R881 WeakPolarHBondContact O-CG 3.37Å; Q877-R881 PolarHBondContact O-N 2.79Å; D878-R881 PolarHBondContact O-N 3.05Å; D878-R881 WeakPolarHBondContact OD1-CD 3.45Å; D878-R881 IonicContact OD1-CZ 2.9Å; D878-R881 IonicContact OD1-NE 2.69Å; D878-R881 IonicContact OD1-NH1 3.91Å; D878-R881 PolarHBondContact OD1-NH1 3.39Å; R881-L884 PolarHBondContact O-N 3.22Å; R881-M885 WeakPolarHBondContact O-CB 3.44Å; R881-M885 WeakPolarHBondContact O-CG 3.27Å; R881-M885 PolarHBondContact O-N 3.45Å
882	L	59.5	Low	48.9	Very low	121 Å²	121	92 Å²	92	63%	0.634	46%	0.458	S	S	*	.	H	α-helix	trans	-64.5	-39.9	176.9	-74.4	167.6	0	0	0	111.8	D878 I879 V880 M885 H886	D878-L882 WeakPolarHBondContact O-CB 3.32Å; D878-L882 VanDerWaalsContact O-CG 3.27Å; D878-L882 WeakPolarHBondContact O-CG 3.44Å; D878-L882 PolarHBondContact O-N 3.02Å; I879-L882 PolarHBondContact O-N 2.03Å; V880-L882 PolarHBondContact O-N 3.24Å; L882-M885 PolarHBondContact O-N 3.31Å; L882-H886 WeakPolarHBondContact O-CB 3.42Å; L882-H886 PolarHBondContact O-N 3.09Å
883	F	47.6	Very low	49.1	Very low	78 Å²	78	86.5 Å²	86.5	34%	0.342	43%	0.429	S	S	.	.	H	α-helix	trans	-67.5	-42.7	178.3	-145.3	-87.5	0	0	0	111.8	I863 I879 V880 H886 A887 L897	I863-F883 HydrophobicContact CD1-CD2 4.28Å; I863-F883 HydrophobicContact CD1-CE2 3.86Å; I863-F883 HydrophobicContact CD1-CZ 4.14Å; I879-F883 WeakPolarHBondContact O-CB 3.41Å; I879-F883 PolarHBondContact O-N 3.31Å; V880-F883 PolarHBondContact O-N 3.12Å; F883-H886 PolarHBondContact O-N 2.93Å; F883-A887 WeakPolarHBondContact O-CB 3.42Å; F883-A887 PolarHBondContact O-N 3.17Å; F883-L897 HydrophobicContact CD1-CD1 4.38Å; F883-L897 HydrophobicContact CE1-CD1 4.42Å
884	L	55.2	Low	48.9	Very low	83 Å²	83	89.1 Å²	89.1	44%	0.435	43%	0.434	S	S	.	.	H	α-helix	trans	-60.9	-45.3	172.7	-75	162.7	0	0	0	111.7	V880 R881 H886 A887 Y888 L897	V880-L884 HydrophobicContact CG1-CD1 3.82Å; V880-L884 HydrophobicContact CG1-CG 4.44Å; V880-L884 WeakPolarHBondContact O-CB 3.36Å; V880-L884 WeakPolarHBondContact O-CD1 3.31Å; V880-L884 WeakPolarHBondContact O-CG 3.46Å; V880-L884 PolarHBondContact O-N 2.71Å; R881-L884 PolarHBondContact O-N 3.22Å; L884-H886 VanDerWaalsContact C-N 3.28Å; L884-H886 PolarHBondContact O-N 3.34Å; L884-A887 PolarHBondContact O-N 3.16Å; L884-Y888 PolarHBondContact O-N 2.6Å; L884-Y888 VanDerWaalsContact O-N 3.09Å; L884-L897 HydrophobicContact CD2-CD2 3.6Å
885	M	49.9	Very low	49.2	Very low	116 Å²	116	91.9 Å²	91.9	57%	0.571	44%	0.438	S	S	*	.	H	α-helix	trans	-60.5	-35.7	174.3	-81.4	-99.8	59.4	0	0	112.8	R881 L882	R881-M885 WeakPolarHBondContact O-CB 3.44Å; R881-M885 WeakPolarHBondContact O-CG 3.27Å; R881-M885 PolarHBondContact O-N 3.45Å; L882-M885 PolarHBondContact O-N 3.31Å
886	H	44.6	Very low	49.3	Very low	103 Å²	103	87.8 Å²	87.8	48%	0.477	42%	0.419	S	S	.	.	H	α-helix	trans	-79	-32.3	178.7	-137.5	-58.1	0	0	0	112.9	L882 F883 L884 Y888 Q889	L882-H886 WeakPolarHBondContact O-CB 3.42Å; L882-H886 PolarHBondContact O-N 3.09Å; F883-H886 PolarHBondContact O-N 2.93Å; L884-H886 VanDerWaalsContact C-N 3.28Å; L884-H886 PolarHBondContact O-N 3.34Å; H886-Y888 VanDerWaalsContact C-N 3.34Å; H886-Q889 PolarHBondContact O-N 3.27Å
887	A	47	Very low	49.1	Very low	4 Å²	4	88.4 Å²	88.4	3%	0.033	42%	0.422	C	S	.	.	H	α-helix	trans	-68.4	-31.6	174.1	0	0	0	0	0	112.3	F883 L884 Q889 S890 L893 L897	F883-A887 WeakPolarHBondContact O-CB 3.42Å; F883-A887 PolarHBondContact O-N 3.17Å; L884-A887 PolarHBondContact O-N 3.16Å; A887-Q889 PolarHBondContact O-N 3.39Å; A887-Q889 VanDerWaalsContact O-N 3.12Å; A887-S890 PolarHBondContact O-N 2.93Å; A887-S890 VanDerWaalsContact O-O 3.11Å; A887-L893 HydrophobicContact CB-CB 4.08Å; A887-L897 HydrophobicContact CB-CD1 4.39Å; A887-L897 HydrophobicContact CB-CD2 4.14Å
888	Y	43.8	Very low	49.1	Very low	138 Å²	138	86.9 Å²	86.9	54%	0.541	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.1	173	-166.9	-95.7	0	0	0	113.6	L884 H886	L884-Y888 PolarHBondContact O-N 2.6Å; L884-Y888 VanDerWaalsContact O-N 3.09Å; H886-Y888 VanDerWaalsContact C-N 3.34Å
889	Q	42.3	Very low	48.7	Very low	138 Å²	138	87.4 Å²	87.4	65%	0.645	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	6.8	-179.7	-60	-170.4	2.9	0	0	114.3	H886 A887	H886-Q889 PolarHBondContact O-N 3.27Å; A887-Q889 PolarHBondContact O-N 3.39Å; A887-Q889 VanDerWaalsContact O-N 3.12Å
890	S	45.8	Very low	48.2	Very low	40 Å²	40	86 Å²	86	28%	0.28	42%	0.42	S	S	.	.			trans	-148.7	115.8	-179.1	171.2	0	0	0	0	111.3	A887 E892 L893 R894	A887-S890 PolarHBondContact O-N 2.93Å; A887-S890 VanDerWaalsContact O-O 3.11Å; S890-E892 PolarHBondContact O-N 3.32Å; S890-E892 PolarHBondContact OG-N 2.87Å; S890-L893 PolarHBondContact O-N 2.74Å; S890-L893 PolarHBondContact OG-N 3.41Å; S890-R894 VanDerWaalsContact O-CB 3.25Å; S890-R894 WeakPolarHBondContact O-CB 3.4Å; S890-R894 PolarHBondContact O-N 3.36Å
891	D	41.2	Very low	47.6	Very low	106 Å²	106	88.1 Å²	88.1	57%	0.567	43%	0.433	S	S	*	.	H	α-helix	trans	-59.9	-25.5	175.4	-76	-56.6	0	0	0	113	R894 Q895	D891-R894 IonicContact OD1-NH1 3.12Å; D891-R894 PolarHBondContact OD1-NH1 2.84Å; D891-Q895 WeakPolarHBondContact O-CB 3.49Å; D891-Q895 WeakPolarHBondContact O-CG 3.33Å; D891-Q895 PolarHBondContact O-N 2.8Å
892	E	45.4	Very low	47	Very low	127 Å²	127	84.7 Å²	84.7	59%	0.593	43%	0.429	S	S	*	.	H	α-helix	trans	-73.3	-45.1	177.1	-167.3	170.7	-164.5	0	0	111.5	S890 R894 Q895 Q896	S890-E892 PolarHBondContact O-N 3.32Å; S890-E892 PolarHBondContact OG-N 2.87Å; E892-R894 VanDerWaalsContact C-N 3.33Å; E892-Q895 PolarHBondContact O-N 3.03Å; E892-Q896 PolarHBondContact O-N 3.49Å; E892-Q896 VanDerWaalsContact O-N 3.08Å
893	L	49.8	Very low	46	Very low	45 Å²	45	84.6 Å²	84.6	24%	0.236	43%	0.429	C	S	.	.	H	α-helix	trans	-65.8	-36.6	170.5	-76.3	173.1	0	0	0	111.9	A887 S890 Q896 L897	A887-L893 HydrophobicContact CB-CB 4.08Å; S890-L893 PolarHBondContact O-N 2.74Å; S890-L893 PolarHBondContact OG-N 3.41Å; L893-Q896 PolarHBondContact O-N 2.79Å; L893-L897 PolarHBondContact O-N 3.3Å
894	R	48.6	Very low	45.7	Very low	85 Å²	85	84 Å²	84	32%	0.321	44%	0.439	S	S	.	.	H	α-helix	trans	-63.6	-43.5	177.4	-174.2	176.9	170.3	-123.7	-8.7	111.5	S890 D891 E892 L897 L898 E1063	S890-R894 VanDerWaalsContact O-CB 3.25Å; S890-R894 WeakPolarHBondContact O-CB 3.4Å; S890-R894 PolarHBondContact O-N 3.36Å; D891-R894 IonicContact OD1-NH1 3.12Å; D891-R894 PolarHBondContact OD1-NH1 2.84Å; E892-R894 VanDerWaalsContact C-N 3.33Å; R894-L897 PolarHBondContact O-N 3.42Å; R894-L898 HydrophobicContact CG-CD1 4.29Å; R894-L898 WeakPolarHBondContact O-CB 3.01Å; R894-L898 WeakPolarHBondContact O-CD1 3.35Å; R894-L898 VanDerWaalsContact O-CG 3.27Å; R894-L898 WeakPolarHBondContact O-CG 3.13Å; R894-L898 PolarHBondContact O-N 2.88Å; R894-E1063 IonicContact CZ-OE1 3.88Å; R894-E1063 IonicContact NH1-OE1 3.99Å; R894-E1063 IonicContact NH2-OE1 3.71Å; R894-E1063 PolarHBondContact NH2-OE1 2.96Å; R894-E1063 IonicContact NH2-OE2 2.7Å; R894-E1063 PolarHBondContact NH2-OE2 3.37Å; R894-E1063 VanDerWaalsContact NH2-OE2 3.1Å
895	Q	52.1	Low	45	Very low	140 Å²	140	82.2 Å²	82.2	65%	0.654	43%	0.43	S	S	*	.	H	α-helix	trans	-66.1	-37.1	172.7	-76.1	-175	15.6	0	0	112.5	D891 E892 L898 S899	D891-Q895 WeakPolarHBondContact O-CB 3.49Å; D891-Q895 WeakPolarHBondContact O-CG 3.33Å; D891-Q895 PolarHBondContact O-N 2.8Å; E892-Q895 PolarHBondContact O-N 3.03Å; Q895-L898 PolarHBondContact O-N 3.23Å; Q895-S899 PolarHBondContact O-N 2.89Å
896	Q	48.4	Very low	44.6	Very low	57 Å²	57	80.4 Å²	80.4	27%	0.266	42%	0.422	S	S	.	.	H	α-helix	trans	-67	-38.8	173.5	-73.1	-173.1	-17.4	0	0	112.4	I856 E892 L893 S899 L900	I856-Q896 VanDerWaalsContact CG2-OE1 3.24Å; E892-Q896 PolarHBondContact O-N 3.49Å; E892-Q896 VanDerWaalsContact O-N 3.08Å; L893-Q896 PolarHBondContact O-N 2.79Å; Q896-S899 WeakPolarHBondContact O-CB 3.46Å; Q896-S899 PolarHBondContact O-N 2.8Å; Q896-S899 PolarHBondContact O-OG 3.38Å; Q896-L900 PolarHBondContact O-N 2.84Å
897	L	46.1	Very low	44.7	Very low	39 Å²	39	80.3 Å²	80.3	20%	0.204	43%	0.428	C	S	.	.	H	α-helix	trans	-63.8	-42.2	172.6	-119.9	75.6	0	0	0	112.1	F883 L884 A887 L893 R894 S899 L900 T901	F883-L897 HydrophobicContact CD1-CD1 4.38Å; F883-L897 HydrophobicContact CE1-CD1 4.42Å; L884-L897 HydrophobicContact CD2-CD2 3.6Å; A887-L897 HydrophobicContact CB-CD1 4.39Å; A887-L897 HydrophobicContact CB-CD2 4.14Å; L893-L897 PolarHBondContact O-N 3.3Å; R894-L897 PolarHBondContact O-N 3.42Å; L897-S899 PolarHBondContact O-N 2.82Å; L897-L900 WeakPolarHBondContact O-CA 3.09Å; L897-L900 WeakPolarHBondContact O-CB 3.23Å; L897-L900 PolarHBondContact O-N 3.2Å; L897-T901 PolarHBondContact O-N 3.08Å
898	L	50.9	Low	44.4	Very low	70 Å²	70	82.6 Å²	82.6	37%	0.366	45%	0.447	S	S	.	.	H	α-helix	trans	-64.7	-20.9	174.5	-73.6	163.9	0	0	0	113.3	R894 Q895 L900 T901 F938	R894-L898 HydrophobicContact CG-CD1 4.29Å; R894-L898 WeakPolarHBondContact O-CB 3.01Å; R894-L898 WeakPolarHBondContact O-CD1 3.35Å; R894-L898 VanDerWaalsContact O-CG 3.27Å; R894-L898 WeakPolarHBondContact O-CG 3.13Å; R894-L898 PolarHBondContact O-N 2.88Å; Q895-L898 PolarHBondContact O-N 3.23Å; L898-L900 VanDerWaalsContact C-N 3.32Å; L898-T901 PolarHBondContact O-OG1 3.1Å; L898-T901 VanDerWaalsContact O-OG1 3.05Å; L898-F938 HydrophobicContact CD2-CZ 4.28Å
899	S	45.4	Very low	44	Very low	90 Å²	90	81.6 Å²	81.6	63%	0.629	45%	0.451	S	S	*	.	H	α-helix	trans	-78.3	-16.6	169.8	79.3	0	0	0	0	113.5	Q895 Q896 L897	Q895-S899 PolarHBondContact O-N 2.89Å; Q896-S899 WeakPolarHBondContact O-CB 3.46Å; Q896-S899 PolarHBondContact O-N 2.8Å; Q896-S899 PolarHBondContact O-OG 3.38Å; L897-S899 PolarHBondContact O-N 2.82Å
900	L	44.1	Very low	43.6	Very low	63 Å²	63	80.7 Å²	80.7	33%	0.33	45%	0.45	S	S	.	.	H	α-helix	trans	-96.8	-10.7	-176.7	-122	81.6	0	0	0	114.4	V860 Q896 L897 L898 S902 L905	V860-L900 HydrophobicContact CG1-CD1 3.54Å; V860-L900 HydrophobicContact CG1-CD2 3.27Å; V860-L900 HydrophobicContact CG1-CG 4.03Å; Q896-L900 PolarHBondContact O-N 2.84Å; L897-L900 WeakPolarHBondContact O-CA 3.09Å; L897-L900 WeakPolarHBondContact O-CB 3.23Å; L897-L900 PolarHBondContact O-N 3.2Å; L898-L900 VanDerWaalsContact C-N 3.32Å; L900-S902 PolarHBondContact O-N 3.44Å; L900-L905 HydrophobicContact CB-CD1 4.23Å; L900-L905 HydrophobicContact CD2-CD1 4.48Å
901	T	40.5	Very low	43.1	Very low	75 Å²	75	84.9 Å²	84.9	46%	0.46	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	29.6	-174	42	0	0	0	0	114.8	L897 L898 N903 L905	L897-T901 PolarHBondContact O-N 3.08Å; L898-T901 PolarHBondContact O-OG1 3.1Å; L898-T901 VanDerWaalsContact O-OG1 3.05Å; T901-N903 PolarHBondContact O-N 3.22Å; T901-L905 HydrophobicContact CG2-CD1 4.44Å
902	S	38.2	Very low	42.5	Very low	61 Å²	61	85 Å²	85	43%	0.427	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	85.3	174	174.6	0	0	0	0	110.6	L900 A904 R947	L900-S902 PolarHBondContact O-N 3.44Å; S902-A904 VanDerWaalsContact C-N 3.27Å; S902-A904 PolarHBondContact O-N 3.5Å; S902-R947 PolarHBondContact OG-NH2 2.87Å
903	N	40	Very low	41.7	Very low	118 Å²	118	86.5 Å²	86.5	63%	0.631	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	-47.1	173.9	-58.6	-9	0	0	0	117.6	T901 L905 L906 T907	T901-N903 PolarHBondContact O-N 3.22Å; N903-L905 PolarHBondContact O-N 3.32Å; N903-L906 WeakPolarHBondContact O-CA 3.44Å; N903-L906 VanDerWaalsContact O-CB 3.25Å; N903-L906 WeakPolarHBondContact O-CB 3.38Å; N903-L906 PolarHBondContact O-N 3.35Å; N903-T907 PolarHBondContact O-N 3.39Å; N903-T907 PolarHBondContact O-OG1 3.1Å
904	A	40	Very low	40.5	Very low	67 Å²	67	87.3 Å²	87.3	55%	0.554	51%	0.512	S	S	*	.	H	α-helix	trans	-58.6	-44.5	-171.1	0	0	0	0	0	113.5	S902 L906 T907 A908	S902-A904 VanDerWaalsContact C-N 3.27Å; S902-A904 PolarHBondContact O-N 3.5Å; A904-L906 PolarHBondContact O-N 3Å; A904-T907 PolarHBondContact O-N 3.16Å; A904-A908 PolarHBondContact O-N 3.5Å
905	L	41	Very low	39.4	Very low	45 Å²	45	92.9 Å²	92.9	24%	0.236	54%	0.539	C	S	.	.	H	α-helix	trans	-66.5	-20.9	173.8	-102.5	165.3	0	0	0	113.8	L900 T901 N903 L909	L900-L905 HydrophobicContact CB-CD1 4.23Å; L900-L905 HydrophobicContact CD2-CD1 4.48Å; T901-L905 HydrophobicContact CG2-CD1 4.44Å; N903-L905 PolarHBondContact O-N 3.32Å; L905-L909 VanDerWaalsContact O-CD1 3.31Å; L905-L909 WeakPolarHBondContact O-CD1 3.03Å; L905-L909 VanDerWaalsContact O-CG 3.26Å; L905-L909 WeakPolarHBondContact O-CG 3.02Å
906	L	42.2	Very low	38.2	Very low	77 Å²	77	93.1 Å²	93.1	40%	0.403	55%	0.545	S	S	.	.	H	α-helix	trans	-80	-44	176.4	-126.3	71.8	0	0	0	110.6	N903 A904 A908 L909 L910 I939	N903-L906 WeakPolarHBondContact O-CA 3.44Å; N903-L906 VanDerWaalsContact O-CB 3.25Å; N903-L906 WeakPolarHBondContact O-CB 3.38Å; N903-L906 PolarHBondContact O-N 3.35Å; A904-L906 PolarHBondContact O-N 3Å; L906-A908 VanDerWaalsContact C-N 3.34Å; L906-A908 PolarHBondContact O-N 3.35Å; L906-L909 PolarHBondContact O-N 3.1Å; L906-L910 PolarHBondContact O-N 3.22Å; L906-I939 HydrophobicContact CD1-CD1 4.15Å; L906-I939 HydrophobicContact CD1-CG1 4.39Å; L906-I939 HydrophobicContact CD2-CD1 4.38Å
907	T	47	Very low	37	Very low	101 Å²	101	95 Å²	95	62%	0.62	57%	0.565	S	S	*	*	H	α-helix	trans	-60.3	-43.9	176.4	-51.5	0	0	0	0	111.2	N903 A904 L909 L910	N903-T907 PolarHBondContact O-N 3.39Å; N903-T907 PolarHBondContact O-OG1 3.1Å; A904-T907 PolarHBondContact O-N 3.16Å; T907-L909 PolarHBondContact O-N 3.18Å; T907-L909 VanDerWaalsContact O-N 3.15Å; T907-L910 PolarHBondContact O-N 3.31Å
908	A	40.1	Very low	36	Very low	52 Å²	52	100 Å²	100	43%	0.43	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.2	-4.2	178.4	0	0	0	0	0	115.3	I867 A904 L906	I867-A908 HydrophobicContact CG2-CB 3.65Å; A904-A908 PolarHBondContact O-N 3.5Å; L906-A908 VanDerWaalsContact C-N 3.34Å; L906-A908 PolarHBondContact O-N 3.35Å
909	L	34.9	Very low	34.9	Very low	118 Å²	118	105.2 Å²	105.2	62%	0.618	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.2	4.4	178.8	-69.7	176.3	0	0	0	113.5	L905 L906 T907	L905-L909 VanDerWaalsContact O-CD1 3.31Å; L905-L909 WeakPolarHBondContact O-CD1 3.03Å; L905-L909 VanDerWaalsContact O-CG 3.26Å; L905-L909 WeakPolarHBondContact O-CG 3.02Å; L906-L909 PolarHBondContact O-N 3.1Å; T907-L909 PolarHBondContact O-N 3.18Å; T907-L909 VanDerWaalsContact O-N 3.15Å
910	L	34.7	Very low	33.9	Very low	119 Å²	119	109.5 Å²	109.5	62%	0.623	62%	0.623	S	S	*	*	S	Bend	trans	-108.4	109.5	177.3	-91.5	153.8	0	0	0	110	L906 T907 T912	L906-L910 PolarHBondContact O-N 3.22Å; T907-L910 PolarHBondContact O-N 3.31Å; L910-T912 PolarHBondContact O-N 3.19Å; L910-T912 VanDerWaalsContact O-N 3.08Å
911	P	34.6	Very low	33.1	Very low	128 Å²	128	114 Å²	114	83%	0.831	65%	0.645	S	S	*	*			trans	-65.8	109.4	-176.9	-22.5	34.1	0	0	0	112.9	N913	P911-N913 PolarHBondContact O-N 2.82Å
912	T	28.4	Very low	32.4	Very low	107 Å²	107	115.1 Å²	115.1	66%	0.656	65%	0.648	S	S	*	*			trans	-80.9	100.8	173.6	36.5	0	0	0	0	110.9	L910	L910-T912 PolarHBondContact O-N 3.19Å; L910-T912 VanDerWaalsContact O-N 3.08Å
913	N	27.9	Very low	31.9	Very low	160 Å²	160	117.2 Å²	117.2	86%	0.856	66%	0.66	S	S	*	*	S	Bend	trans	68.8	104.3	164	-51.5	-41.2	0	0	0	118.5	P911	P911-N913 PolarHBondContact O-N 2.82Å
914	G	26.2	Very low	31.4	Very low	62 Å²	62	118.4 Å²	118.4	64%	0.639	67%	0.666	S	S	*	*			trans	102.4	128.6	131.3	0	0	0	0	0	118.6
915	F	24.6	Very low	31	Very low	201 Å²	201	116.6 Å²	116.6	88%	0.882	65%	0.65	S	S	*	*			trans	66.9	145	166	-52.2	-83.7	0	0	0	116.8
916	N	26.5	Very low	30.5	Very low	145 Å²	145	118.9 Å²	118.9	78%	0.775	67%	0.666	S	S	*	*			cis	-134.2	145.2	-1.9	-146.1	-8.1	0	0	0	112	N918	N916-N918 PolarHBondContact O-N 3.41Å
917	S	23.8	Very low	30	Very low	98 Å²	98	118.5 Å²	118.5	69%	0.685	67%	0.669	S	S	*	*			trans	-76.2	120.9	-172	-59.4	0	0	0	0	111.9
918	N	25.4	Very low	29.3	Very low	143 Å²	143	117.6 Å²	117.6	77%	0.765	66%	0.661	S	S	*	*	S	Bend	trans	-179.7	-24.3	142.7	-94.6	-22.8	0	0	0	115.7	N916 F920	N916-N918 PolarHBondContact O-N 3.41Å; N918-F920 PolarHBondContact O-N 3.05Å
919	M	27.2	Very low	29.3	Very low	180 Å²	180	121.1 Å²	121.1	89%	0.887	67%	0.668	S	S	*	*	S	Bend	trans	-82.1	-6.4	-168.9	-86.4	-159.6	73.8	0	0	117.8
920	F	25.6	Very low	29.4	Very low	179 Å²	179	120.2 Å²	120.2	79%	0.785	66%	0.661	S	S	*	*			trans	-120.9	75.3	178.6	-83.9	-84.6	0	0	0	112.4	N918	N918-F920 PolarHBondContact O-N 3.05Å
921	M	26.7	Very low	29.5	Very low	157 Å²	157	119.7 Å²	119.7	77%	0.773	66%	0.658	S	S	*	*			trans	-119.2	62.7	177	-75.8	-67.2	176.2	0	0	113.1
922	N	26.6	Very low	29.8	Very low	100 Å²	100	120.8 Å²	120.8	54%	0.535	65%	0.65	S	S	.	*			trans	-141.5	95.7	147.1	-169.4	-14.9	0	0	0	110.4	N924	N922-N924 PolarHBondContact O-N 3.34Å; N922-N924 VanDerWaalsContact O-N 3.13Å; N922-N924 PolarHBondContact OD1-N 3.06Å
923	P	27.6	Very low	30.5	Very low	104 Å²	104	119.8 Å²	119.8	68%	0.675	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-14	179.7	-23.5	35	0	0	0	114.9
924	N	28.6	Very low	31	Very low	143 Å²	143	117 Å²	117	77%	0.765	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	9.9	-170.7	-61.5	-3.1	0	0	0	113.2	N922 T926	N922-N924 PolarHBondContact O-N 3.34Å; N922-N924 VanDerWaalsContact O-N 3.13Å; N922-N924 PolarHBondContact OD1-N 3.06Å; N924-T926 PolarHBondContact O-N 3.28Å
925	S	31.1	Very low	31.6	Very low	30 Å²	30	118.5 Å²	118.5	21%	0.21	62%	0.618	C	S	.	*			trans	-75.1	109.2	178	69	0	0	0	0	111.3	S927 N928	S925-S927 WeakPolarHBondContact CB-OG 3.46Å; S925-S927 PolarHBondContact O-N 3.47Å; S925-S927 VanDerWaalsContact O-N 3.13Å; S925-N928 PolarHBondContact O-N 2.85Å; S925-N928 VanDerWaalsContact OG-CG 3.24Å; S925-N928 PolarHBondContact OG-ND2 3.44Å
926	T	31.5	Very low	32.5	Very low	93 Å²	93	111.3 Å²	111.3	57%	0.571	59%	0.593	S	S	*	*	H	α-helix	trans	-57.4	-24.8	174.5	45.6	0	0	0	0	112.4	N924 N928 Q930	N924-T926 PolarHBondContact O-N 3.28Å; T926-N928 PolarHBondContact O-N 2.94Å; T926-Q930 VanDerWaalsContact O-CB 3.26Å; T926-Q930 WeakPolarHBondContact O-CB 3.43Å; T926-Q930 VanDerWaalsContact O-CG 3.23Å; T926-Q930 WeakPolarHBondContact O-CG 3.49Å; T926-Q930 PolarHBondContact O-N 3.03Å
927	S	31.4	Very low	33.2	Very low	68 Å²	68	109.5 Å²	109.5	48%	0.476	58%	0.583	S	S	.	*	H	α-helix	trans	-59.6	-39.3	171.8	46.9	0	0	0	0	113.8	S925 Q930 L931	S925-S927 WeakPolarHBondContact CB-OG 3.46Å; S925-S927 PolarHBondContact O-N 3.47Å; S925-S927 VanDerWaalsContact O-N 3.13Å; S927-Q930 PolarHBondContact O-N 3.45Å; S927-L931 WeakPolarHBondContact O-CB 3.38Å; S927-L931 PolarHBondContact O-N 3.25Å
928	N	32.5	Very low	33.7	Very low	82 Å²	82	110.2 Å²	110.2	44%	0.439	57%	0.574	S	S	.	*	H	α-helix	trans	-76.1	-38	-178.7	-71	1.7	0	0	0	111.3	S925 T926 L931 F932	S925-N928 PolarHBondContact O-N 2.85Å; S925-N928 VanDerWaalsContact OG-CG 3.24Å; S925-N928 PolarHBondContact OG-ND2 3.44Å; T926-N928 PolarHBondContact O-N 2.94Å; N928-L931 PolarHBondContact O-N 3.35Å; N928-F932 PolarHBondContact O-N 3.13Å
929	Q	39.5	Very low	34.2	Very low	126 Å²	126	106.4 Å²	106.4	59%	0.589	55%	0.553	S	S	*	*	H	α-helix	trans	-66	-38.6	169.9	-73.3	-176.2	-15	0	0	111.9	F932 N933	Q929-F932 PolarHBondContact O-N 3.01Å; Q929-N933 VanDerWaalsContact O-CB 3.23Å; Q929-N933 WeakPolarHBondContact O-CB 3.11Å; Q929-N933 PolarHBondContact O-N 2.87Å; Q929-N933 PolarHBondContact O-ND2 3.32Å
930	Q	36.8	Very low	34.6	Very low	100 Å²	100	101.1 Å²	101.1	47%	0.467	53%	0.534	S	S	.	.	H	α-helix	trans	-65.8	-36.7	174.7	-78.4	176.6	5.2	0	0	112.1	T926 S927 L934	T926-Q930 VanDerWaalsContact O-CB 3.26Å; T926-Q930 WeakPolarHBondContact O-CB 3.43Å; T926-Q930 VanDerWaalsContact O-CG 3.23Å; T926-Q930 WeakPolarHBondContact O-CG 3.49Å; T926-Q930 PolarHBondContact O-N 3.03Å; S927-Q930 PolarHBondContact O-N 3.45Å; Q930-L934 VanDerWaalsContact O-CB 3.26Å; Q930-L934 WeakPolarHBondContact O-CB 3.39Å; Q930-L934 WeakPolarHBondContact O-CD1 3.36Å; Q930-L934 VanDerWaalsContact O-CG 3.24Å; Q930-L934 WeakPolarHBondContact O-CG 3.33Å; Q930-L934 PolarHBondContact O-N 3.38Å
931	L	37.7	Very low	35.1	Very low	108 Å²	108	95.9 Å²	95.9	57%	0.565	52%	0.52	S	S	*	.	H	α-helix	trans	-63.8	-48.4	173.3	-163.4	78	0	0	0	111.2	S927 N928 N933 L934 L935	S927-L931 WeakPolarHBondContact O-CB 3.38Å; S927-L931 PolarHBondContact O-N 3.25Å; N928-L931 PolarHBondContact O-N 3.35Å; L931-N933 PolarHBondContact O-N 3.44Å; L931-L934 PolarHBondContact O-N 3.29Å; L931-L935 HydrophobicContact CG-CD1 4.26Å; L931-L935 WeakPolarHBondContact O-CD1 3.28Å; L931-L935 PolarHBondContact O-N 2.92Å
932	F	40	Very low	35.3	Very low	150 Å²	150	91.9 Å²	91.9	66%	0.658	50%	0.502	S	S	*	.	H	α-helix	trans	-63.4	-41	178.2	-164.2	-90	0	0	0	112.1	N928 Q929 L935 S936	N928-F932 PolarHBondContact O-N 3.13Å; Q929-F932 PolarHBondContact O-N 3.01Å; F932-L935 PolarHBondContact O-N 3.36Å; F932-S936 VanDerWaalsContact O-CB 3.27Å; F932-S936 WeakPolarHBondContact O-CB 3.42Å; F932-S936 PolarHBondContact O-N 2.86Å
933	N	42.9	Very low	35.4	Very low	86 Å²	86	92.1 Å²	92.1	46%	0.46	51%	0.51	S	S	.	.	H	α-helix	trans	-70.1	-33.3	176.3	-69.7	-12	0	0	0	112.3	Q929 L931 N937	Q929-N933 VanDerWaalsContact O-CB 3.23Å; Q929-N933 WeakPolarHBondContact O-CB 3.11Å; Q929-N933 PolarHBondContact O-N 2.87Å; Q929-N933 PolarHBondContact O-ND2 3.32Å; L931-N933 PolarHBondContact O-N 3.44Å; N933-N937 WeakPolarHBondContact O-CB 3.4Å; N933-N937 PolarHBondContact O-N 3.13Å; N933-N937 PolarHBondContact O-ND2 3.26Å
934	L	38.9	Very low	35.4	Very low	102 Å²	102	91.6 Å²	91.6	53%	0.534	51%	0.508	S	S	.	.	H	α-helix	trans	-65.7	-45.8	172.4	-82.4	165	0	0	0	111.2	Q930 L931 F938	Q930-L934 VanDerWaalsContact O-CB 3.26Å; Q930-L934 WeakPolarHBondContact O-CB 3.39Å; Q930-L934 WeakPolarHBondContact O-CD1 3.36Å; Q930-L934 VanDerWaalsContact O-CG 3.24Å; Q930-L934 WeakPolarHBondContact O-CG 3.33Å; Q930-L934 PolarHBondContact O-N 3.38Å; L931-L934 PolarHBondContact O-N 3.29Å; L934-F938 WeakPolarHBondContact O-CB 3.5Å; L934-F938 PolarHBondContact O-N 3.12Å
935	L	39.8	Very low	35.3	Very low	93 Å²	93	91.2 Å²	91.2	49%	0.487	51%	0.511	S	S	.	.	H	α-helix	trans	-62.2	-46.8	173.1	-91.7	119	0	0	0	111.9	L931 F932 N937 F938 I939	L931-L935 HydrophobicContact CG-CD1 4.26Å; L931-L935 WeakPolarHBondContact O-CD1 3.28Å; L931-L935 PolarHBondContact O-N 2.92Å; F932-L935 PolarHBondContact O-N 3.36Å; L935-N937 PolarHBondContact O-N 3.44Å; L935-F938 PolarHBondContact O-N 3.2Å; L935-I939 WeakPolarHBondContact O-CB 3.32Å; L935-I939 WeakPolarHBondContact O-CD1 3.1Å; L935-I939 VanDerWaalsContact O-CG1 3.26Å; L935-I939 WeakPolarHBondContact O-CG1 3.41Å; L935-I939 PolarHBondContact O-N 3.31Å
936	S	41.8	Very low	35	Very low	51 Å²	51	93.5 Å²	93.5	36%	0.357	54%	0.54	S	S	.	.	H	α-helix	trans	-59.8	-44	178.2	-172.9	0	0	0	0	112.2	F932 I939 S940	F932-S936 VanDerWaalsContact O-CB 3.27Å; F932-S936 WeakPolarHBondContact O-CB 3.42Å; F932-S936 PolarHBondContact O-N 2.86Å; S936-I939 PolarHBondContact O-N 3.45Å; S936-S940 VanDerWaalsContact O-CB 3.27Å; S936-S940 WeakPolarHBondContact O-CB 3.13Å; S936-S940 PolarHBondContact O-N 3.11Å; S936-S940 PolarHBondContact O-OG 3.09Å
937	N	41.4	Very low	34.7	Very low	106 Å²	106	99.4 Å²	99.4	57%	0.567	55%	0.552	S	S	*	*	H	α-helix	trans	-68.1	-38.2	176	-72.5	-18.7	0	0	0	112.2	N933 L935 S940 S941	N933-N937 WeakPolarHBondContact O-CB 3.4Å; N933-N937 PolarHBondContact O-N 3.13Å; N933-N937 PolarHBondContact O-ND2 3.26Å; L935-N937 PolarHBondContact O-N 3.44Å; N937-S940 PolarHBondContact O-N 3.02Å; N937-S941 WeakPolarHBondContact O-CB 3.46Å; N937-S941 PolarHBondContact O-N 3.45Å; N937-S941 PolarHBondContact O-OG 3.17Å; N937-S941 VanDerWaalsContact O-OG 3.13Å
938	F	34.6	Very low	34.3	Very low	113 Å²	113	102.7 Å²	102.7	50%	0.496	57%	0.569	S	S	.	*	H	α-helix	trans	-69.9	-34.1	178	-166.1	-94.6	0	0	0	112.3	L898 L934 L935 S941 N942	L898-F938 HydrophobicContact CD2-CZ 4.28Å; L934-F938 WeakPolarHBondContact O-CB 3.5Å; L934-F938 PolarHBondContact O-N 3.12Å; L935-F938 PolarHBondContact O-N 3.2Å; F938-S941 PolarHBondContact O-OG 3.28Å; F938-N942 WeakPolarHBondContact CD1-ND2 3.22Å; F938-N942 WeakPolarHBondContact CE1-ND2 3.43Å; F938-N942 WeakPolarHBondContact CZ-ND2 3.47Å; F938-N942 WeakPolarHBondContact O-CB 3.27Å; F938-N942 PolarHBondContact O-N 3.23Å; F938-N942 PolarHBondContact O-ND2 2.89Å
939	I	35.9	Very low	34	Very low	63 Å²	63	106.8 Å²	106.8	32%	0.323	59%	0.589	S	S	.	*	H	α-helix	trans	-69.2	-46.3	170.6	-67.7	162.7	0	0	0	109.5	L906 L935 S936 S941 N942 C943	L906-I939 HydrophobicContact CD1-CD1 4.15Å; L906-I939 HydrophobicContact CD1-CG1 4.39Å; L906-I939 HydrophobicContact CD2-CD1 4.38Å; L935-I939 WeakPolarHBondContact O-CB 3.32Å; L935-I939 WeakPolarHBondContact O-CD1 3.1Å; L935-I939 VanDerWaalsContact O-CG1 3.26Å; L935-I939 WeakPolarHBondContact O-CG1 3.41Å; L935-I939 PolarHBondContact O-N 3.31Å; S936-I939 PolarHBondContact O-N 3.45Å; I939-S941 PolarHBondContact O-N 2.9Å; I939-N942 PolarHBondContact O-N 3.36Å; I939-C943 VanDerWaalsContact O-CB 3.27Å; I939-C943 WeakPolarHBondContact O-CB 3.31Å; I939-C943 PolarHBondContact O-N 2.8Å; I939-C943 PolarHBondContact O-SG 2.67Å
940	S	35.8	Very low	33.2	Very low	69 Å²	69	107.6 Å²	107.6	48%	0.483	60%	0.598	S	S	.	*	H	α-helix	trans	-64.7	-36.9	-179.2	-58.8	0	0	0	0	113.4	S936 N937 S944	S936-S940 VanDerWaalsContact O-CB 3.27Å; S936-S940 WeakPolarHBondContact O-CB 3.13Å; S936-S940 PolarHBondContact O-N 3.11Å; S936-S940 PolarHBondContact O-OG 3.09Å; N937-S940 PolarHBondContact O-N 3.02Å; S940-S944 PolarHBondContact O-OG 3.42Å; S940-S944 VanDerWaalsContact O-OG 3.11Å
941	S	35.2	Very low	32.8	Very low	69 Å²	69	110.7 Å²	110.7	48%	0.483	62%	0.617	S	S	.	*	H	α-helix	trans	-75	-40.4	178	65.7	0	0	0	0	112.6	N937 F938 I939	N937-S941 WeakPolarHBondContact O-CB 3.46Å; N937-S941 PolarHBondContact O-N 3.45Å; N937-S941 PolarHBondContact O-OG 3.17Å; N937-S941 VanDerWaalsContact O-OG 3.13Å; F938-S941 PolarHBondContact O-OG 3.28Å; I939-S941 PolarHBondContact O-N 2.9Å
942	N	31.9	Very low	32.1	Very low	74 Å²	74	112.2 Å²	112.2	40%	0.396	63%	0.626	S	S	.	*	H	α-helix	trans	-85.6	-21	-175.3	-67.9	-62.9	0	0	0	114.1	F938 I939 S944	F938-N942 WeakPolarHBondContact CD1-ND2 3.22Å; F938-N942 WeakPolarHBondContact CE1-ND2 3.43Å; F938-N942 WeakPolarHBondContact CZ-ND2 3.47Å; F938-N942 WeakPolarHBondContact O-CB 3.27Å; F938-N942 PolarHBondContact O-N 3.23Å; F938-N942 PolarHBondContact O-ND2 2.89Å; I939-N942 PolarHBondContact O-N 3.36Å; N942-S944 PolarHBondContact O-N 2.71Å; N942-S944 VanDerWaalsContact O-N 3.14Å
943	C	29	Very low	31.5	Very low	105 Å²	105	113.6 Å²	113.6	71%	0.709	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-0.6	171	-75.5	0	0	0	0	114.2	I939	I939-C943 VanDerWaalsContact O-CB 3.27Å; I939-C943 WeakPolarHBondContact O-CB 3.31Å; I939-C943 PolarHBondContact O-N 2.8Å; I939-C943 PolarHBondContact O-SG 2.67Å
944	S	26.8	Very low	30.7	Very low	92 Å²	92	114.8 Å²	114.8	64%	0.643	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108	20.4	-168.4	-61.1	0	0	0	0	115.3	S940 N942	S940-S944 PolarHBondContact O-OG 3.42Å; S940-S944 VanDerWaalsContact O-OG 3.11Å; N942-S944 PolarHBondContact O-N 2.71Å; N942-S944 VanDerWaalsContact O-N 3.14Å
945	T	27.1	Very low	30.2	Very low	135 Å²	135	117.7 Å²	117.7	83%	0.828	66%	0.656	S	S	*	*	S	Bend	trans	-158.4	136.8	166.2	3.8	0	0	0	0	112.6
946	G	24.9	Very low	29.7	Very low	79 Å²	79	117.3 Å²	117.3	81%	0.814	65%	0.654	S	S	*	*			trans	120.4	30.4	154.7	0	0	0	0	0	120.4
947	R	24.8	Very low	29.1	Very low	217 Å²	217	119.8 Å²	119.8	82%	0.819	66%	0.664	S	S	*	*			trans	-121.6	109.5	159.7	-77.8	-168.8	-176.7	175.5	4.6	112	S902	S902-R947 PolarHBondContact OG-NH2 2.87Å
948	T	22.6	Very low	28.5	Very low	137 Å²	137	117 Å²	117	84%	0.84	65%	0.652	S	S	*	*			trans	-127.7	87.6	164	53.6	0	0	0	0	108.8
949	I	26.2	Very low	28.1	Very low	167 Å²	167	117.1 Å²	117.1	86%	0.856	66%	0.658	S	S	*	*			trans	-125.6	129.7	161.9	-61.8	-179.5	0	0	0	105.3
950	N	23.6	Very low	27.6	Very low	144 Å²	144	121.2 Å²	121.2	77%	0.77	68%	0.68	S	S	*	*			trans	-70.9	143.2	-170.4	-48	-36.2	0	0	0	111.1
951	N	27.2	Very low	27	Very low	164 Å²	164	125.2 Å²	125.2	88%	0.877	70%	0.695	S	S	*	*			trans	-151.9	143.9	132.3	-95.8	-21.8	0	0	0	107.8
952	D	23.4	Very low	26.5	Very low	140 Å²	140	131.9 Å²	131.9	75%	0.749	71%	0.711	S	S	*	*			trans	-75.7	173.6	179.6	-62.8	-79.9	0	0	0	112.1
953	Q	28.1	Very low	26.2	Very low	179 Å²	179	133.5 Å²	133.5	84%	0.836	72%	0.717	S	S	*	*			trans	74.3	127.6	169.7	-57.5	153.3	9.7	0	0	115.7
954	T	25.5	Very low	26	Very low	111 Å²	111	135.7 Å²	135.7	68%	0.681	72%	0.717	S	S	*	*			cis	161.1	130.8	-25.1	31	0	0	0	0	105.8
955	H	27.6	Very low	26.2	Very low	163 Å²	163	140 Å²	140	76%	0.755	73%	0.728	S	S	*	*			trans	66.4	146.3	166.5	-65.1	-68.8	0	0	0	117.6
956	D	30.8	Very low	26.1	Very low	86 Å²	86	140.9 Å²	140.9	46%	0.46	73%	0.727	S	S	.	*			cis	-147.6	174.2	-5.2	-114.7	-30	0	0	0	113.5	P1083	D956-P1083 HydrophobicContact CB-CB 3.99Å
957	D	28.2	Very low	26.3	Very low	103 Å²	103	141.6 Å²	141.6	55%	0.551	72%	0.72	S	S	*	*			trans	-92.3	-175.9	-154.6	-132.3	-36.2	0	0	0	116.9	T1082 P1083	D957-T1082 VanDerWaalsContact O-CA 3.24Å; D957-T1082 WeakPolarHBondContact O-CA 3.34Å; D957-P1083 VanDerWaalsContact O-CD 3.22Å; D957-P1083 WeakPolarHBondContact O-CD 3.44Å; D957-P1083 WeakPolarHBondContact O-CG 3.44Å
958	S	28.7	Very low	26.4	Very low	46 Å²	46	137.2 Å²	137.2	32%	0.322	72%	0.717	S	S	.	*			trans	57.7	171	148.8	65.5	0	0	0	0	121	T1082	S958-T1082 WeakPolarHBondContact OG-CA 3.21Å; S958-T1082 PolarHBondContact OG-N 2.8Å; S958-T1082 VanDerWaalsContact OG-N 3.12Å; S958-T1082 PolarHBondContact OG-OG1 3.29Å
959	N	26.8	Very low	26.7	Very low	117 Å²	117	136.9 Å²	136.9	63%	0.626	71%	0.709	S	S	*	*			cis	-158.4	157.5	1.7	-134.8	-16.3	0	0	0	115
960	L	24.5	Very low	26.9	Very low	149 Å²	149	136 Å²	136	78%	0.78	70%	0.701	S	S	*	*			trans	64.8	154.4	147.6	-111.3	73.9	0	0	0	126.3
961	L	24.9	Very low	27	Very low	153 Å²	153	132.1 Å²	132.1	80%	0.801	68%	0.682	S	S	*	*			trans	-62.4	144.1	176.3	-72.4	54.8	0	0	0	115.5
962	Y	23.8	Very low	27.2	Very low	209 Å²	209	128.8 Å²	128.8	82%	0.82	67%	0.67	S	S	*	*			trans	-169.2	149.4	136.3	-123.3	-123.7	0	0	0	105.4
963	M	25	Very low	27.8	Very low	107 Å²	107	126.6 Å²	126.6	53%	0.527	66%	0.663	S	S	.	*			cis	159.7	134.7	-4.8	-101.8	-92.8	-86.5	0	0	105.8
964	Q	25.7	Very low	27.8	Very low	151 Å²	151	126 Å²	126	71%	0.706	66%	0.663	S	S	*	*			trans	54.4	113.8	148.5	-61.4	174.5	-40.4	0	0	122.3
965	Q	30.7	Very low	28	Very low	184 Å²	184	128.8 Å²	128.8	86%	0.86	67%	0.668	S	S	*	*				175.4	119.1	114.2	-91.2	161.8	40.3	0	0	107.5
966	N	26.2	Very low	28.3	Very low	152 Å²	152	126.3 Å²	126.3	81%	0.813	67%	0.666	S	S	*	*				51.6	130.1	67.7	-70.4	2.9	0	0	0	112.5
967	S	28.5	Very low	28.2	Very low	95 Å²	95	129.8 Å²	129.8	66%	0.664	69%	0.685	S	S	*	*			cis	-158.8	154.8	33.9	-51.2	0	0	0	0	113.3
968	T	26.6	Very low	28.2	Very low	124 Å²	124	129.3 Å²	129.3	76%	0.761	69%	0.689	S	S	*	*			trans	52.3	151.2	141.4	58.3	0	0	0	0	120.5
969	I	28.3	Very low	28.1	Very low	130 Å²	130	134.9 Å²	134.9	67%	0.667	71%	0.713	S	S	*	*			cis	-150.4	129.5	36	-71.6	174.5	0	0	0	111.3
970	E	30.2	Very low	28.2	Very low	149 Å²	149	132.7 Å²	132.7	70%	0.696	72%	0.718	S	S	*	*			trans	45.7	-170	138.4	-49.7	179.5	159.2	0	0	124.3
971	T	26.8	Very low	28.4	Very low	62 Å²	62	132.9 Å²	132.9	38%	0.38	72%	0.719	S	S	.	*			trans	170.2	179.3	-134.3	34.5	0	0	0	0	112.3	S236 K237 Y238	S236-T971 WeakPolarHBondContact O-CG2 3.33Å; K237-T971 HydrophobicContact CB-CG2 3.96Å; Y238-T971 HydrophobicContact CD2-CG2 3.52Å; Y238-T971 WeakPolarHBondContact CD2-OG1 3.48Å; Y238-T971 HydrophobicContact CE2-CG2 3.82Å
972	P	31.7	Very low	28.6	Very low	95 Å²	95	130.3 Å²	130.3	62%	0.617	71%	0.714	S	S	*	*			cis	-124.4	-156.8	-21.9	35.8	-14.5	0	0	0	110.1
973	P	35	Very low	28.7	Very low	94 Å²	94	126.1 Å²	126.1	61%	0.61	71%	0.71	S	S	*	*			trans	-102.3	158.1	-170.4	38.8	-33.2	0	0	0	116
974	M	28.4	Very low	29	Very low	166 Å²	166	129.9 Å²	129.9	82%	0.818	73%	0.726	S	S	*	*			trans	-157.7	129.9	157.5	-94.1	-121.1	132.5	0	0	115
975	Q	29.2	Very low	29.1	Very low	169 Å²	169	131.3 Å²	131.3	79%	0.79	73%	0.733	S	S	*	*			trans	59.4	143	149.7	-62.1	-166.7	-17.2	0	0	123.6
976	P	34.2	Very low	29.2	Very low	112 Å²	112	127.5 Å²	127.5	73%	0.727	72%	0.724	S	S	*	*			trans	-105.3	150.1	172.4	39.6	-32.6	0	0	0	114.3
977	N	29.9	Very low	29.2	Very low	158 Å²	158	125.7 Å²	125.7	85%	0.845	72%	0.719	S	S	*	*			trans	172.7	157.5	161.9	-99.2	-30.5	0	0	0	108.7
978	C	26.9	Very low	28.9	Very low	94 Å²	94	127.7 Å²	127.7	64%	0.635	72%	0.722	S	S	*	*			cis	-168.1	158.7	-25.6	-136.6	0	0	0	0	108.7
979	I	27.9	Very low	28.9	Very low	163 Å²	163	127.6 Å²	127.6	84%	0.836	72%	0.716	S	S	*	*			trans	65.5	135.2	159.9	-57.7	157.8	0	0	0	116.9
980	G	29	Very low	28.8	Very low	70 Å²	70	126.7 Å²	126.7	72%	0.722	72%	0.717	S	S	*	*			trans	-170.2	16.9	-176.6	0	0	0	0	0	120.8
981	L	28	Very low	28.7	Very low	154 Å²	154	129.7 Å²	129.7	81%	0.806	72%	0.722	S	S	*	*			trans	52.5	115.3	160.1	-65.6	168	0	0	0	120.6
982	S	27.9	Very low	28.8	Very low	98 Å²	98	131.3 Å²	131.3	69%	0.685	74%	0.742	S	S	*	*				81.5	145.5	124.7	-59.1	0	0	0	0	119.9
983	T	27.1	Very low	28.9	Very low	121 Å²	121	132 Å²	132	74%	0.742	75%	0.749	S	S	*	*			cis	-161.3	173.4	-8.7	17.5	0	0	0	0	110
984	E	31.4	Very low	28.8	Very low	187 Å²	187	135.6 Å²	135.6	87%	0.874	76%	0.757	S	S	*	*			trans	86.9	106.9	160	-44	-152.7	152.7	0	0	119.2
985	E	26.9	Very low	29	Very low	181 Å²	181	133.2 Å²	133.2	85%	0.846	75%	0.748	S	S	*	*			trans	-72.6	-175.9	148.8	-77	-167.5	135.6	0	0	111.1
986	P	34.2	Very low	29	Very low	104 Å²	104	132.3 Å²	132.3	68%	0.675	74%	0.738	S	S	*	*			cis	-129.6	-151.1	-43.6	33.8	-15	0	0	0	109.9
987	T	25	Very low	28.9	Very low	114 Å²	114	134 Å²	134	70%	0.699	74%	0.739	S	S	*	*			trans	80.2	129.3	155.7	5.5	0	0	0	0	119.9
988	D	23.4	Very low	28.8	Very low	137 Å²	137	133.8 Å²	133.8	73%	0.733	73%	0.727	S	S	*	*			trans	84.8	153.6	134.2	-103.3	-31.6	0	0	0	124.6
989	L	25.7	Very low	28.9	Very low	121 Å²	121	138.2 Å²	138.2	63%	0.634	73%	0.73	S	S	*	*			trans	56.6	98	159.6	-93	73	0	0	0	121
990	T	25.6	Very low	29.1	Very low	112 Å²	112	137 Å²	137	69%	0.687	73%	0.726	S	S	*	*				45.7	155.3	115.4	67.2	0	0	0	0	123.1
991	R	27.8	Very low	29.1	Very low	211 Å²	211	141.1 Å²	141.1	80%	0.796	73%	0.731	S	S	*	*			trans	111.3	81.5	148.2	-159.4	175.4	-59.6	138.8	11.3	113.8
992	A	29.4	Very low	29.3	Very low	97 Å²	97	142.5 Å²	142.5	80%	0.802	73%	0.733	S	S	*	*				86.7	118.7	65.7	0	0	0	0	0	114.6
993	S	33.5	Very low	29.6	Very low	110 Å²	110	143 Å²	143	77%	0.769	73%	0.734	S	S	*	*			trans	-135	100	163.8	36.5	0	0	0	0	109.1
994	H	33.1	Very low	30	Very low	168 Å²	168	144.5 Å²	144.5	78%	0.778	74%	0.738	S	S	*	*			trans	38.5	139.9	142.1	-60.9	170	0	0	0	120.6
995	N	32.5	Very low	29.9	Very low	116 Å²	116	141 Å²	141	62%	0.62	73%	0.734	S	S	*	*			cis	-176.3	171.2	-0.9	-105.8	-22.8	0	0	0	107.3
996	Y	29.7	Very low	30.2	Very low	150 Å²	150	138 Å²	138	59%	0.588	73%	0.73	S	S	*	*			cis	-152.6	168.8	3.3	-142.3	-73.1	0	0	0	109.1	R998	Y996-R998 HydrophobicContact CE1-CG 4.4Å; Y996-R998 PolarHBondContact OH-NH2 3.39Å; Y996-R998 VanDerWaalsContact OH-NH2 3.11Å
997	I	31.4	Very low	29.8	Very low	147 Å²	147	136.5 Å²	136.5	75%	0.754	73%	0.733	S	S	*	*			trans	92.1	94.6	161.5	-58.8	164.5	0	0	0	113.8
998	R	29.1	Very low	30.1	Very low	154 Å²	154	137.9 Å²	137.9	58%	0.581	74%	0.741	S	S	*	*				70	132.2	67.6	-68.9	-165.5	-177	-179	13.8	113	Y996	Y996-R998 HydrophobicContact CE1-CG 4.4Å; Y996-R998 PolarHBondContact OH-NH2 3.39Å; Y996-R998 VanDerWaalsContact OH-NH2 3.11Å
999	R	28.3	Very low	30.2	Very low	188 Å²	188	140 Å²	140	71%	0.709	75%	0.747	S	S	*	*			cis	-170.4	170.4	0.5	-128	177.6	-167.4	-178.5	0.2	113.1
1000	N	31.9	Very low	30.3	Very low	138 Å²	138	139.7 Å²	139.7	74%	0.738	75%	0.754	S	S	*	*			trans	82.5	116.3	151.7	-66.6	4.2	0	0	0	119.5
1001	D	29.1	Very low	30.3	Very low	155 Å²	155	139.5 Å²	139.5	83%	0.829	76%	0.757	S	S	*	*			trans	-80.5	153	166	-39.7	-104.1	0	0	0	112.8
1002	Q	31.9	Very low	30.3	Very low	184 Å²	184	136.9 Å²	136.9	86%	0.86	76%	0.757	S	S	*	*			trans	-160.7	129.9	134.6	-121.4	-168.3	22.1	0	0	111.7
1003	P	34.3	Very low	30.3	Very low	108 Å²	108	135.5 Å²	135.5	70%	0.701	74%	0.741	S	S	*	*			trans	-100.9	130.4	170.5	34.6	-28.5	0	0	0	111.7
1004	N	35.1	Very low	30.1	Very low	153 Å²	153	141.6 Å²	141.6	82%	0.818	75%	0.748	S	S	*	*			trans	-169	106.6	160.2	-104.9	-39.6	0	0	0	114.8
1005	S	29.4	Very low	30.1	Very low	114 Å²	114	139.8 Å²	139.8	80%	0.797	74%	0.739	S	S	*	*			trans	64.7	175	145.8	-127.6	0	0	0	0	117.9
1006	P	32.7	Very low	30.1	Very low	118 Å²	118	139.4 Å²	139.4	77%	0.766	74%	0.737	S	S	*	*				-132.7	158.2	-97.4	39.8	-23.1	0	0	0	116.6
1007	G	26.5	Very low	30.3	Very low	72 Å²	72	136.1 Å²	136.1	74%	0.742	74%	0.737	S	S	*	*			trans	96.9	109.5	147.9	0	0	0	0	0	117.5
1008	V	32.1	Very low	30.5	Very low	142 Å²	142	137.9 Å²	137.9	86%	0.861	73%	0.734	S	S	*	*				-141	124.4	115.5	173.4	0	0	0	0	106.9
1009	Q	25.2	Very low	30.9	Very low	181 Å²	181	134.8 Å²	134.8	85%	0.846	73%	0.728	S	S	*	*			trans	-81.6	131.6	163.4	-74.3	-178.6	-84	0	0	109
1010	C	26.8	Very low	31.2	Very low	116 Å²	116	133 Å²	133	78%	0.784	73%	0.725	S	S	*	*			trans	-132.5	121.2	155	-163.3	0	0	0	0	108.2
1011	S	25.9	Very low	31.7	Very low	108 Å²	108	132.5 Å²	132.5	76%	0.755	72%	0.718	S	S	*	*			trans	-97.3	103.2	-167.5	-59.3	0	0	0	0	110.6
1012	I	28.6	Very low	32.2	Very low	155 Å²	155	130.4 Å²	130.4	80%	0.795	71%	0.707	S	S	*	*			trans	-113.8	134.4	169	-59.5	-175.7	0	0	0	109.5
1013	S	28.3	Very low	32.8	Very low	68 Å²	68	125.6 Å²	125.6	48%	0.476	69%	0.687	S	S	.	*			trans	-51.1	156.3	-156.9	-165.9	0	0	0	0	118.8	Q1015	S1013-Q1015 PolarHBondContact O-N 3.13Å; S1013-Q1015 PolarHBondContact OG-OE1 3.11Å
1014	R	30.3	Very low	33.6	Very low	239 Å²	239	126 Å²	126	90%	0.902	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	28.6	175.1	-65.8	175.9	166.8	165.9	-6.3	114.2
1015	Q	32.4	Very low	34.5	Very low	129 Å²	129	120.5 Å²	120.5	60%	0.603	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-38.4	-170.4	-79.6	163.6	-69.4	0	0	113.5	S1013 S1017 R1018 I1019	S1013-Q1015 PolarHBondContact O-N 3.13Å; S1013-Q1015 PolarHBondContact OG-OE1 3.11Å; Q1015-S1017 PolarHBondContact O-N 2.94Å; Q1015-R1018 PolarHBondContact O-N 2.96Å; Q1015-I1019 PolarHBondContact O-N 2.93Å
1016	D	32.5	Very low	35.5	Very low	108 Å²	108	119.2 Å²	119.2	58%	0.578	64%	0.642	S	S	*	*	H	α-helix	trans	-63.5	-28.1	-176.9	-58.7	-43.2	0	0	0	113.7	R1018 I1019 F1020	D1016-R1018 VanDerWaalsContact C-N 3.26Å; D1016-R1018 PolarHBondContact O-N 3.44Å; D1016-I1019 PolarHBondContact O-N 2.73Å; D1016-F1020 PolarHBondContact O-N 3.24Å
1017	S	34.6	Very low	36.3	Very low	82 Å²	82	119.2 Å²	119.2	57%	0.573	63%	0.632	S	S	*	*	H	α-helix	trans	-66.6	-23.9	176.3	-177.6	0	0	0	0	113.6	Q1015 Q1021	Q1015-S1017 PolarHBondContact O-N 2.94Å; S1017-Q1021 WeakPolarHBondContact O-CG 3.4Å
1018	R	35.3	Very low	37.9	Very low	183 Å²	183	122.4 Å²	122.4	69%	0.691	63%	0.628	S	S	*	*	H	α-helix	trans	-82.7	-45.6	173.1	-69.4	-170.5	-179.8	-165.8	-0.8	110.4	Q1015 D1016 F1020 Q1021 D1022	Q1015-R1018 PolarHBondContact O-N 2.96Å; D1016-R1018 VanDerWaalsContact C-N 3.26Å; D1016-R1018 PolarHBondContact O-N 3.44Å; R1018-F1020 PolarHBondContact O-N 3.06Å; R1018-Q1021 CarbonylContact O-C 3.57Å; R1018-Q1021 WeakPolarHBondContact O-CA 3.43Å; R1018-Q1021 PolarHBondContact O-N 3.47Å; R1018-D1022 VanDerWaalsContact O-CG 3.23Å; R1018-D1022 PolarHBondContact O-N 3.33Å; R1018-D1022 VanDerWaalsContact O-OD2 3.12Å
1019	I	37.9	Very low	39	Very low	89 Å²	89	121.7 Å²	121.7	46%	0.456	62%	0.615	S	S	.	*	H	α-helix	trans	-53.4	-41.5	176.5	-61.7	171.4	0	0	0	111.1	Q1015 D1016 D1022 I1023	Q1015-I1019 PolarHBondContact O-N 2.93Å; D1016-I1019 PolarHBondContact O-N 2.73Å; I1019-D1022 PolarHBondContact O-N 3.36Å; I1019-I1023 HydrophobicContact CG2-CD1 3.84Å; I1019-I1023 WeakPolarHBondContact O-CB 3.38Å; I1019-I1023 WeakPolarHBondContact O-CD1 3.46Å; I1019-I1023 WeakPolarHBondContact O-CG1 3.48Å; I1019-I1023 PolarHBondContact O-N 3.23Å
1020	F	33.6	Very low	40.1	Very low	151 Å²	151	117.5 Å²	117.5	66%	0.662	60%	0.597	S	S	*	*	H	α-helix	trans	-64.6	-40.4	173.7	-105.5	-84.5	0	0	0	113.9	D1016 R1018 Q1024	D1016-F1020 PolarHBondContact O-N 3.24Å; R1018-F1020 PolarHBondContact O-N 3.06Å; F1020-Q1024 WeakPolarHBondContact O-CB 3.04Å; F1020-Q1024 PolarHBondContact O-N 2.84Å
1021	Q	42.8	Very low	41.5	Very low	127 Å²	127	117.6 Å²	117.6	59%	0.593	59%	0.588	S	S	*	*	H	α-helix	trans	-70.2	-37.5	176.7	-72.4	-179.8	-34.5	0	0	112.3	S1017 R1018 Q1024 G1025	S1017-Q1021 WeakPolarHBondContact O-CG 3.4Å; R1018-Q1021 CarbonylContact O-C 3.57Å; R1018-Q1021 WeakPolarHBondContact O-CA 3.43Å; R1018-Q1021 PolarHBondContact O-N 3.47Å; Q1021-Q1024 PolarHBondContact O-N 3.34Å; Q1021-G1025 PolarHBondContact O-N 3.37Å
1022	D	40.4	Very low	43.4	Very low	111 Å²	111	114.4 Å²	114.4	59%	0.594	57%	0.566	S	S	*	*	H	α-helix	trans	-67	-39.1	176.2	-62.3	-38.1	0	0	0	110.9	R1018 I1019 L1026	R1018-D1022 VanDerWaalsContact O-CG 3.23Å; R1018-D1022 PolarHBondContact O-N 3.33Å; R1018-D1022 VanDerWaalsContact O-OD2 3.12Å; I1019-D1022 PolarHBondContact O-N 3.36Å; D1022-L1026 VanDerWaalsContact O-CB 3.29Å; D1022-L1026 WeakPolarHBondContact O-CB 3.49Å; D1022-L1026 PolarHBondContact O-N 3.36Å
1023	I	44.3	Very low	44.6	Very low	84 Å²	84	109.4 Å²	109.4	43%	0.431	55%	0.548	S	S	.	.	H	α-helix	trans	-65.3	-46.5	171.9	-71.6	166.6	0	0	0	110.8	I1019 G1025 L1026 E1027	I1019-I1023 HydrophobicContact CG2-CD1 3.84Å; I1019-I1023 WeakPolarHBondContact O-CB 3.38Å; I1019-I1023 WeakPolarHBondContact O-CD1 3.46Å; I1019-I1023 WeakPolarHBondContact O-CG1 3.48Å; I1019-I1023 PolarHBondContact O-N 3.23Å; I1023-G1025 PolarHBondContact O-N 3.17Å; I1023-L1026 WeakPolarHBondContact O-CB 3.5Å; I1023-L1026 PolarHBondContact O-N 2.85Å; I1023-L1026 VanDerWaalsContact O-N 3.13Å; I1023-E1027 PolarHBondContact O-N 3.25Å
1024	Q	51.4	Low	45.7	Very low	116 Å²	116	112 Å²	112	54%	0.542	55%	0.553	S	S	.	*	H	α-helix	trans	-65.3	-40	-178.9	-153.7	170.3	12.7	0	0	111.6	F1020 Q1021 L1026 E1027 E1028	F1020-Q1024 WeakPolarHBondContact O-CB 3.04Å; F1020-Q1024 PolarHBondContact O-N 2.84Å; Q1021-Q1024 PolarHBondContact O-N 3.34Å; Q1024-L1026 VanDerWaalsContact C-N 3.34Å; Q1024-E1027 PolarHBondContact O-N 3.05Å; Q1024-E1028 PolarHBondContact O-N 3.05Å
1025	G	54.3	Low	47	Very low	37 Å²	37	103.9 Å²	103.9	38%	0.381	53%	0.532	S	S	.	.	H	α-helix	trans	-64.9	-34.7	171.4	0	0	0	0	0	113.2	Q1021 I1023 H1029	Q1021-G1025 PolarHBondContact O-N 3.37Å; I1023-G1025 PolarHBondContact O-N 3.17Å; G1025-H1029 VanDerWaalsContact O-CB 3.27Å; G1025-H1029 WeakPolarHBondContact O-CB 3.32Å; G1025-H1029 PolarHBondContact O-N 3.35Å
1026	L	50.1	Low	48.3	Very low	88 Å²	88	103.6 Å²	103.6	46%	0.461	53%	0.529	S	S	.	.	H	α-helix	trans	-68.1	-41	173.5	-174.5	64.3	0	0	0	111.8	D1022 I1023 Q1024 H1029 I1030	D1022-L1026 VanDerWaalsContact O-CB 3.29Å; D1022-L1026 WeakPolarHBondContact O-CB 3.49Å; D1022-L1026 PolarHBondContact O-N 3.36Å; I1023-L1026 WeakPolarHBondContact O-CB 3.5Å; I1023-L1026 PolarHBondContact O-N 2.85Å; I1023-L1026 VanDerWaalsContact O-N 3.13Å; Q1024-L1026 VanDerWaalsContact C-N 3.34Å; L1026-H1029 PolarHBondContact O-N 2.81Å; L1026-I1030 HydrophobicContact CD1-CD1 4.37Å; L1026-I1030 HydrophobicContact CG-CD1 4Å; L1026-I1030 WeakPolarHBondContact O-CB 3.06Å; L1026-I1030 VanDerWaalsContact O-CG1 3.24Å; L1026-I1030 WeakPolarHBondContact O-CG1 3.21Å; L1026-I1030 PolarHBondContact O-N 3.01Å
1027	E	48.9	Very low	49.4	Very low	117 Å²	117	105.8 Å²	105.8	55%	0.547	53%	0.53	S	S	.	.	H	α-helix	trans	-61.8	-47.8	173.2	-72.1	-171.6	149.7	0	0	111.6	I1023 Q1024 H1029 I1030 I1031	I1023-E1027 PolarHBondContact O-N 3.25Å; Q1024-E1027 PolarHBondContact O-N 3.05Å; E1027-H1029 VanDerWaalsContact C-N 3.31Å; E1027-H1029 PolarHBondContact O-N 3.02Å; E1027-I1030 PolarHBondContact O-N 3.13Å; E1027-I1031 WeakPolarHBondContact O-CB 3.15Å; E1027-I1031 VanDerWaalsContact O-CG1 3.28Å; E1027-I1031 WeakPolarHBondContact O-CG1 3.1Å; E1027-I1031 PolarHBondContact O-N 3.06Å
1028	E	59.7	Low	50	Low	139 Å²	139	106.2 Å²	106.2	65%	0.65	53%	0.526	S	S	*	.	H	α-helix	trans	-60	-39.7	174.6	-74.6	-171.3	178.1	0	0	112.2	Q1024 I1031 S1032	Q1024-E1028 PolarHBondContact O-N 3.05Å; E1028-I1031 PolarHBondContact O-N 3.03Å; E1028-S1032 VanDerWaalsContact O-CB 3.24Å; E1028-S1032 WeakPolarHBondContact O-CB 3.44Å; E1028-S1032 PolarHBondContact O-N 3.45Å
1029	H	55.2	Low	51.2	Low	128 Å²	128	105.4 Å²	105.4	59%	0.593	52%	0.523	S	S	*	.	H	α-helix	trans	-70.9	-35.5	178.5	-157.6	-132.7	0	0	0	112.3	G1025 L1026 E1027 S1032 A1033	G1025-H1029 VanDerWaalsContact O-CB 3.27Å; G1025-H1029 WeakPolarHBondContact O-CB 3.32Å; G1025-H1029 PolarHBondContact O-N 3.35Å; L1026-H1029 PolarHBondContact O-N 2.81Å; E1027-H1029 VanDerWaalsContact C-N 3.31Å; E1027-H1029 PolarHBondContact O-N 3.02Å; H1029-S1032 PolarHBondContact O-N 3.18Å; H1029-A1033 VanDerWaalsContact O-CB 3.29Å; H1029-A1033 WeakPolarHBondContact O-CB 3.39Å; H1029-A1033 PolarHBondContact O-N 3.1Å
1030	I	49.5	Very low	51.6	Low	92 Å²	92	104.5 Å²	104.5	47%	0.472	53%	0.525	S	S	.	.	H	α-helix	trans	-65.7	-45.5	171.6	-72	165.7	0	0	0	110.8	L1026 E1027 S1032 A1033 H1034	L1026-I1030 HydrophobicContact CD1-CD1 4.37Å; L1026-I1030 HydrophobicContact CG-CD1 4Å; L1026-I1030 WeakPolarHBondContact O-CB 3.06Å; L1026-I1030 VanDerWaalsContact O-CG1 3.24Å; L1026-I1030 WeakPolarHBondContact O-CG1 3.21Å; L1026-I1030 PolarHBondContact O-N 3.01Å; E1027-I1030 PolarHBondContact O-N 3.13Å; I1030-S1032 VanDerWaalsContact C-N 3.33Å; I1030-S1032 PolarHBondContact O-N 3.2Å; I1030-A1033 PolarHBondContact O-N 2.97Å; I1030-H1034 WeakPolarHBondContact O-CB 3.2Å; I1030-H1034 PolarHBondContact O-N 3.17Å
1031	I	56.3	Low	52.4	Low	118 Å²	118	101.1 Å²	101.1	61%	0.605	51%	0.513	S	S	*	.	H	α-helix	trans	-61.4	-43.7	175.7	-68.9	164.6	0	0	0	110.2	E1027 E1028 H1034 S1035	E1027-I1031 WeakPolarHBondContact O-CB 3.15Å; E1027-I1031 VanDerWaalsContact O-CG1 3.28Å; E1027-I1031 WeakPolarHBondContact O-CG1 3.1Å; E1027-I1031 PolarHBondContact O-N 3.06Å; E1028-I1031 PolarHBondContact O-N 3.03Å; I1031-H1034 PolarHBondContact O-N 3.41Å; I1031-S1035 WeakPolarHBondContact O-CB 3.44Å; I1031-S1035 PolarHBondContact O-N 2.65Å
1032	S	65.4	Low	52.8	Low	41 Å²	41	97.8 Å²	97.8	29%	0.287	50%	0.504	S	S	.	.	H	α-helix	trans	-60.6	-46.1	175	-171.8	0	0	0	0	111.6	E1028 H1029 I1030 S1035 K1036	E1028-S1032 VanDerWaalsContact O-CB 3.24Å; E1028-S1032 WeakPolarHBondContact O-CB 3.44Å; E1028-S1032 PolarHBondContact O-N 3.45Å; H1029-S1032 PolarHBondContact O-N 3.18Å; I1030-S1032 VanDerWaalsContact C-N 3.33Å; I1030-S1032 PolarHBondContact O-N 3.2Å; S1032-S1035 PolarHBondContact O-N 2.82Å; S1032-S1035 PolarHBondContact O-OG 2.82Å; S1032-K1036 WeakPolarHBondContact O-CG 3.29Å; S1032-K1036 PolarHBondContact O-N 3.2Å
1033	A	52.7	Low	53.4	Low	51 Å²	51	96.8 Å²	96.8	42%	0.421	50%	0.495	S	S	.	.	H	α-helix	trans	-63.8	-44.5	176.9	0	0	0	0	0	112.6	H1029 I1030 S1035 K1036 Y1037	H1029-A1033 VanDerWaalsContact O-CB 3.29Å; H1029-A1033 WeakPolarHBondContact O-CB 3.39Å; H1029-A1033 PolarHBondContact O-N 3.1Å; I1030-A1033 PolarHBondContact O-N 2.97Å; A1033-S1035 VanDerWaalsContact C-N 3.32Å; A1033-S1035 PolarHBondContact O-N 3.04Å; A1033-K1036 PolarHBondContact O-N 3.48Å; A1033-Y1037 WeakPolarHBondContact O-CB 3.38Å; A1033-Y1037 PolarHBondContact O-N 2.69Å
1034	H	52.4	Low	53.4	Low	123 Å²	123	94.9 Å²	94.9	57%	0.569	49%	0.493	S	S	*	.	H	α-helix	trans	-62.2	-37.9	172.8	-98.7	-138.1	0	0	0	112	I1030 I1031 N1038	I1030-H1034 WeakPolarHBondContact O-CB 3.2Å; I1030-H1034 PolarHBondContact O-N 3.17Å; I1031-H1034 PolarHBondContact O-N 3.41Å; H1034-N1038 VanDerWaalsContact O-CB 3.27Å; H1034-N1038 WeakPolarHBondContact O-CB 3.49Å; H1034-N1038 VanDerWaalsContact O-CG 3.29Å; H1034-N1038 PolarHBondContact O-N 3.2Å; H1034-N1038 PolarHBondContact O-ND2 3.36Å
1035	S	57	Low	53	Low	67 Å²	67	92.7 Å²	92.7	47%	0.469	49%	0.487	S	S	.	.	H	α-helix	trans	-64.6	-42.9	176	83.1	0	0	0	0	111.7	I1031 S1032 A1033 R1039	I1031-S1035 WeakPolarHBondContact O-CB 3.44Å; I1031-S1035 PolarHBondContact O-N 2.65Å; S1032-S1035 PolarHBondContact O-N 2.82Å; S1032-S1035 PolarHBondContact O-OG 2.82Å; A1033-S1035 VanDerWaalsContact C-N 3.32Å; A1033-S1035 PolarHBondContact O-N 3.04Å; S1035-R1039 VanDerWaalsContact O-CB 3.25Å; S1035-R1039 WeakPolarHBondContact O-CB 3.24Å; S1035-R1039 PolarHBondContact O-N 2.93Å
1036	K	60	Low	53	Low	124 Å²	124	94.6 Å²	94.6	54%	0.539	49%	0.492	S	S	.	.	H	α-helix	trans	-64.8	-48	175.5	-69.9	167.5	-177	172.9	0	111.2	S1032 A1033 N1038 R1039 S1040	S1032-K1036 WeakPolarHBondContact O-CG 3.29Å; S1032-K1036 PolarHBondContact O-N 3.2Å; A1033-K1036 PolarHBondContact O-N 3.48Å; K1036-N1038 PolarHBondContact O-N 2.94Å; K1036-R1039 WeakPolarHBondContact O-CB 3.49Å; K1036-R1039 PolarHBondContact O-N 2.96Å; K1036-S1040 PolarHBondContact O-N 2.71Å; K1036-S1040 PolarHBondContact O-OG 3.02Å
1037	Y	54.7	Low	52.8	Low	153 Å²	153	96.8 Å²	96.8	60%	0.6	50%	0.499	S	S	*	.	H	α-helix	trans	-59.8	-47.5	177.6	179.8	-96	0	0	0	112	A1033 R1039 S1040 L1041	A1033-Y1037 WeakPolarHBondContact O-CB 3.38Å; A1033-Y1037 PolarHBondContact O-N 2.69Å; Y1037-R1039 VanDerWaalsContact C-N 3.3Å; Y1037-R1039 PolarHBondContact O-N 3.16Å; Y1037-S1040 PolarHBondContact O-N 2.9Å; Y1037-L1041 HydrophobicContact CE1-CD2 4.18Å; Y1037-L1041 VanDerWaalsContact O-CB 3.23Å; Y1037-L1041 WeakPolarHBondContact O-CB 3.12Å; Y1037-L1041 PolarHBondContact O-N 2.68Å
1038	N	47.9	Very low	52.5	Low	92 Å²	92	94.5 Å²	94.5	49%	0.492	49%	0.493	S	S	.	.	H	α-helix	trans	-65.1	-34.3	176.4	-74.5	-26.4	0	0	0	112.2	H1034 K1036 S1042	H1034-N1038 VanDerWaalsContact O-CB 3.27Å; H1034-N1038 WeakPolarHBondContact O-CB 3.49Å; H1034-N1038 VanDerWaalsContact O-CG 3.29Å; H1034-N1038 PolarHBondContact O-N 3.2Å; H1034-N1038 PolarHBondContact O-ND2 3.36Å; K1036-N1038 PolarHBondContact O-N 2.94Å; N1038-S1042 WeakPolarHBondContact O-CB 3.4Å; N1038-S1042 PolarHBondContact O-N 3.15Å
1039	R	60.1	Low	51.8	Low	166 Å²	166	91.5 Å²	91.5	63%	0.626	49%	0.485	S	S	*	.	H	α-helix	trans	-65.7	-52.2	174.8	-163.9	-172.5	-169.3	134.7	6.8	111.1	S1035 K1036 Y1037 L1041 S1042 E1043	S1035-R1039 VanDerWaalsContact O-CB 3.25Å; S1035-R1039 WeakPolarHBondContact O-CB 3.24Å; S1035-R1039 PolarHBondContact O-N 2.93Å; K1036-R1039 WeakPolarHBondContact O-CB 3.49Å; K1036-R1039 PolarHBondContact O-N 2.96Å; Y1037-R1039 VanDerWaalsContact C-N 3.3Å; Y1037-R1039 PolarHBondContact O-N 3.16Å; R1039-L1041 VanDerWaalsContact C-N 3.28Å; R1039-L1041 PolarHBondContact O-N 2.82Å; R1039-S1042 CarbonylContact O-C 3.56Å; R1039-S1042 WeakPolarHBondContact O-CA 3.09Å; R1039-S1042 WeakPolarHBondContact O-CB 3.27Å; R1039-S1042 PolarHBondContact O-N 3.31Å; R1039-S1042 PolarHBondContact O-OG 2.93Å; R1039-E1043 WeakPolarHBondContact CG-OE1 3.41Å; R1039-E1043 IonicContact NE-OE1 2.69Å; R1039-E1043 PolarHBondContact NE-OE1 3.25Å; R1039-E1043 WeakPolarHBondContact O-CG 3.09Å; R1039-E1043 PolarHBondContact O-N 3.18Å
1040	S	46.9	Very low	51.3	Low	69 Å²	69	89 Å²	89	48%	0.483	48%	0.476	S	S	.	.	H	α-helix	trans	-64.3	-30.6	176.5	-59.2	0	0	0	0	112.9	K1036 Y1037 E1043 A1044	K1036-S1040 PolarHBondContact O-N 2.71Å; K1036-S1040 PolarHBondContact O-OG 3.02Å; Y1037-S1040 PolarHBondContact O-N 2.9Å; S1040-E1043 WeakPolarHBondContact CA-OE2 3.46Å; S1040-E1043 PolarHBondContact O-N 3.33Å; S1040-A1044 VanDerWaalsContact O-CB 3.25Å; S1040-A1044 WeakPolarHBondContact O-CB 3.4Å; S1040-A1044 PolarHBondContact O-N 3.09Å
1041	L	50.3	Low	51	Low	81 Å²	81	90.4 Å²	90.4	42%	0.424	48%	0.483	S	S	.	.	H	α-helix	trans	-69.4	-37.4	170.2	-174.9	62.1	0	0	0	111.6	Y1037 R1039 T1045	Y1037-L1041 HydrophobicContact CE1-CD2 4.18Å; Y1037-L1041 VanDerWaalsContact O-CB 3.23Å; Y1037-L1041 WeakPolarHBondContact O-CB 3.12Å; Y1037-L1041 PolarHBondContact O-N 2.68Å; R1039-L1041 VanDerWaalsContact C-N 3.28Å; R1039-L1041 PolarHBondContact O-N 2.82Å; L1041-T1045 HydrophobicContact CD1-CG2 4.44Å; L1041-T1045 VanDerWaalsContact O-CB 3.32Å; L1041-T1045 WeakPolarHBondContact O-CB 3.49Å; L1041-T1045 VanDerWaalsContact O-CG2 3.31Å; L1041-T1045 WeakPolarHBondContact O-CG2 3.25Å; L1041-T1045 PolarHBondContact O-N 3.41Å; L1041-T1045 PolarHBondContact O-OG1 2.96Å
1042	S	50.6	Low	50.2	Low	56 Å²	56	88.7 Å²	88.7	39%	0.392	48%	0.475	S	S	.	.	H	α-helix	trans	-68.7	-34.5	173.2	80.4	0	0	0	0	112.6	N1038 R1039 T1045 T1046	N1038-S1042 WeakPolarHBondContact O-CB 3.4Å; N1038-S1042 PolarHBondContact O-N 3.15Å; R1039-S1042 CarbonylContact O-C 3.56Å; R1039-S1042 WeakPolarHBondContact O-CA 3.09Å; R1039-S1042 WeakPolarHBondContact O-CB 3.27Å; R1039-S1042 PolarHBondContact O-N 3.31Å; R1039-S1042 PolarHBondContact O-OG 2.93Å; S1042-T1045 WeakPolarHBondContact CA-OG1 3.48Å; S1042-T1045 PolarHBondContact O-OG1 2.81Å; S1042-T1046 VanDerWaalsContact O-CB 3.23Å; S1042-T1046 WeakPolarHBondContact O-CB 3.48Å; S1042-T1046 PolarHBondContact O-N 3.18Å; S1042-T1046 PolarHBondContact O-OG1 2.79Å
1043	E	53.4	Low	49	Very low	90 Å²	90	92.2 Å²	92.2	42%	0.421	49%	0.485	S	S	.	.	H	α-helix	trans	-70.9	-50.6	176.2	-71.9	156.7	172.6	0	0	109.5	R1039 S1040 T1045 T1046 E1047	R1039-E1043 WeakPolarHBondContact CG-OE1 3.41Å; R1039-E1043 IonicContact NE-OE1 2.69Å; R1039-E1043 PolarHBondContact NE-OE1 3.25Å; R1039-E1043 WeakPolarHBondContact O-CG 3.09Å; R1039-E1043 PolarHBondContact O-N 3.18Å; S1040-E1043 WeakPolarHBondContact CA-OE2 3.46Å; S1040-E1043 PolarHBondContact O-N 3.33Å; E1043-T1045 VanDerWaalsContact C-N 3.34Å; E1043-T1045 PolarHBondContact O-N 2.99Å; E1043-T1046 CarbonylContact O-C 3.55Å; E1043-T1046 WeakPolarHBondContact O-CA 3.36Å; E1043-T1046 WeakPolarHBondContact O-CB 3.28Å; E1043-T1046 PolarHBondContact O-N 3.25Å; E1043-E1047 PolarHBondContact O-N 3.34Å
1044	A	44.2	Very low	48.1	Very low	45 Å²	45	92.8 Å²	92.8	37%	0.372	48%	0.484	S	S	.	.	H	α-helix	trans	-64.7	-32.8	176	0	0	0	0	0	113.4	S1040 T1048	S1040-A1044 VanDerWaalsContact O-CB 3.25Å; S1040-A1044 WeakPolarHBondContact O-CB 3.4Å; S1040-A1044 PolarHBondContact O-N 3.09Å; A1044-T1048 WeakPolarHBondContact O-CB 3.5Å; A1044-T1048 WeakPolarHBondContact O-CG2 3.48Å; A1044-T1048 PolarHBondContact O-N 3.42Å; A1044-T1048 PolarHBondContact O-OG1 3.07Å
1045	T	43.5	Very low	47.1	Very low	69 Å²	69	92 Å²	92	42%	0.423	48%	0.484	S	S	.	.	H	α-helix	trans	-73.4	-31.6	171.5	49.6	0	0	0	0	111.8	L1041 S1042 E1043 T1048 V1049	L1041-T1045 HydrophobicContact CD1-CG2 4.44Å; L1041-T1045 VanDerWaalsContact O-CB 3.32Å; L1041-T1045 WeakPolarHBondContact O-CB 3.49Å; L1041-T1045 VanDerWaalsContact O-CG2 3.31Å; L1041-T1045 WeakPolarHBondContact O-CG2 3.25Å; L1041-T1045 PolarHBondContact O-N 3.41Å; L1041-T1045 PolarHBondContact O-OG1 2.96Å; S1042-T1045 WeakPolarHBondContact CA-OG1 3.48Å; S1042-T1045 PolarHBondContact O-OG1 2.81Å; E1043-T1045 VanDerWaalsContact C-N 3.34Å; E1043-T1045 PolarHBondContact O-N 2.99Å; T1045-T1048 WeakPolarHBondContact CA-OG1 3.35Å; T1045-T1048 PolarHBondContact O-OG1 3.05Å; T1045-V1049 VanDerWaalsContact O-CB 3.22Å; T1045-V1049 WeakPolarHBondContact O-CB 3.28Å; T1045-V1049 WeakPolarHBondContact O-CG2 3.47Å; T1045-V1049 PolarHBondContact O-N 2.92Å
1046	T	53.3	Low	45.9	Very low	78 Å²	78	93.4 Å²	93.4	48%	0.479	48%	0.484	S	S	.	.	H	α-helix	trans	-70.8	-41.9	173.4	-61.7	0	0	0	0	111.6	S1042 E1043 V1049 N1050	S1042-T1046 VanDerWaalsContact O-CB 3.23Å; S1042-T1046 WeakPolarHBondContact O-CB 3.48Å; S1042-T1046 PolarHBondContact O-N 3.18Å; S1042-T1046 PolarHBondContact O-OG1 2.79Å; E1043-T1046 CarbonylContact O-C 3.55Å; E1043-T1046 WeakPolarHBondContact O-CA 3.36Å; E1043-T1046 WeakPolarHBondContact O-CB 3.28Å; E1043-T1046 PolarHBondContact O-N 3.25Å; T1046-V1049 PolarHBondContact O-N 2.76Å; T1046-N1050 VanDerWaalsContact O-CB 3.29Å; T1046-N1050 WeakPolarHBondContact O-CB 3.34Å; T1046-N1050 PolarHBondContact O-N 3.19Å; T1046-N1050 PolarHBondContact O-ND2 3.28Å
1047	E	47.3	Very low	44.6	Very low	133 Å²	133	95.4 Å²	95.4	62%	0.621	49%	0.488	S	S	*	.	H	α-helix	trans	-61.5	-49.8	171.6	-73.6	-170.4	141.7	0	0	111.4	E1043 V1049 N1050 L1051	E1043-E1047 PolarHBondContact O-N 3.34Å; E1047-V1049 PolarHBondContact O-N 3.2Å; E1047-N1050 CarbonylContact O-C 3.53Å; E1047-N1050 PolarHBondContact O-N 3.4Å; E1047-N1050 VanDerWaalsContact O-N 3.12Å; E1047-L1051 WeakPolarHBondContact O-CB 3.34Å; E1047-L1051 WeakPolarHBondContact O-CG 2.95Å; E1047-L1051 PolarHBondContact O-N 3.28Å
1048	T	41.9	Very low	43.4	Very low	69 Å²	69	90.1 Å²	90.1	42%	0.423	47%	0.467	S	S	.	.	H	α-helix	trans	-65.2	-37	178	49.4	0	0	0	0	112.2	A1044 T1045 N1050 L1051 I1052	A1044-T1048 WeakPolarHBondContact O-CB 3.5Å; A1044-T1048 WeakPolarHBondContact O-CG2 3.48Å; A1044-T1048 PolarHBondContact O-N 3.42Å; A1044-T1048 PolarHBondContact O-OG1 3.07Å; T1045-T1048 WeakPolarHBondContact CA-OG1 3.35Å; T1045-T1048 PolarHBondContact O-OG1 3.05Å; T1048-N1050 VanDerWaalsContact C-N 3.35Å; T1048-N1050 PolarHBondContact O-N 3.12Å; T1048-L1051 PolarHBondContact O-N 3.39Å; T1048-I1052 VanDerWaalsContact O-CB 3.23Å; T1048-I1052 WeakPolarHBondContact O-CB 3.31Å; T1048-I1052 VanDerWaalsContact O-CD1 3.32Å; T1048-I1052 WeakPolarHBondContact O-CD1 3.41Å; T1048-I1052 WeakPolarHBondContact O-CG1 3.39Å; T1048-I1052 PolarHBondContact O-N 3.11Å
1049	V	44.1	Very low	42.5	Very low	77 Å²	77	91.5 Å²	91.5	47%	0.467	47%	0.471	S	S	.	.	H	α-helix	trans	-64	-37.3	171	164.8	0	0	0	0	111.9	T1045 T1046 E1047 I1052 K1053	T1045-V1049 VanDerWaalsContact O-CB 3.22Å; T1045-V1049 WeakPolarHBondContact O-CB 3.28Å; T1045-V1049 WeakPolarHBondContact O-CG2 3.47Å; T1045-V1049 PolarHBondContact O-N 2.92Å; T1046-V1049 PolarHBondContact O-N 2.76Å; E1047-V1049 PolarHBondContact O-N 3.2Å; V1049-I1052 PolarHBondContact O-N 3.02Å; V1049-K1053 WeakPolarHBondContact O-CG 3.15Å; V1049-K1053 PolarHBondContact O-N 3.01Å
1050	N	45.1	Very low	41.2	Very low	75 Å²	75	87.6 Å²	87.6	40%	0.401	47%	0.469	S	S	.	.	H	α-helix	trans	-72.8	-34.7	176.8	-73	-25.7	0	0	0	112.6	T1046 E1047 T1048 I1052 K1053 P1054	T1046-N1050 VanDerWaalsContact O-CB 3.29Å; T1046-N1050 WeakPolarHBondContact O-CB 3.34Å; T1046-N1050 PolarHBondContact O-N 3.19Å; T1046-N1050 PolarHBondContact O-ND2 3.28Å; E1047-N1050 CarbonylContact O-C 3.53Å; E1047-N1050 PolarHBondContact O-N 3.4Å; E1047-N1050 VanDerWaalsContact O-N 3.12Å; T1048-N1050 VanDerWaalsContact C-N 3.35Å; T1048-N1050 PolarHBondContact O-N 3.12Å; N1050-I1052 VanDerWaalsContact C-N 3.32Å; N1050-K1053 PolarHBondContact OD1-NZ 3.32Å; N1050-P1054 WeakPolarHBondContact O-CD 3.33Å
1051	L	43	Very low	40.4	Very low	122 Å²	122	87.9 Å²	87.9	64%	0.639	47%	0.465	S	S	*	.	H	α-helix	trans	-67.7	-31.3	169.3	-72.7	162.5	0	0	0	112.2	E1047 T1048	E1047-L1051 WeakPolarHBondContact O-CB 3.34Å; E1047-L1051 WeakPolarHBondContact O-CG 2.95Å; E1047-L1051 PolarHBondContact O-N 3.28Å; T1048-L1051 PolarHBondContact O-N 3.39Å
1052	I	41.2	Very low	39.4	Very low	82 Å²	82	87.8 Å²	87.8	42%	0.421	47%	0.47	S	S	.	.	H	α-helix	trans	-82.2	-28.6	178.7	-71.7	165.2	0	0	0	112.2	T1048 V1049 N1050 L1055 M1056	T1048-I1052 VanDerWaalsContact O-CB 3.23Å; T1048-I1052 WeakPolarHBondContact O-CB 3.31Å; T1048-I1052 VanDerWaalsContact O-CD1 3.32Å; T1048-I1052 WeakPolarHBondContact O-CD1 3.41Å; T1048-I1052 WeakPolarHBondContact O-CG1 3.39Å; T1048-I1052 PolarHBondContact O-N 3.11Å; V1049-I1052 PolarHBondContact O-N 3.02Å; N1050-I1052 VanDerWaalsContact C-N 3.32Å; I1052-L1055 CarbonylContact O-C 3.4Å; I1052-L1055 WeakPolarHBondContact O-CA 3.49Å; I1052-L1055 WeakPolarHBondContact O-CB 3.35Å; I1052-L1055 PolarHBondContact O-N 3.07Å; I1052-M1056 HydrophobicContact CG2-CG 3.56Å; I1052-M1056 HydrophobicContact CG2-SD 4.34Å; I1052-M1056 WeakPolarHBondContact O-CG 3.17Å; I1052-M1056 PolarHBondContact O-N 3.33Å
1053	K	39.9	Very low	38.3	Very low	115 Å²	115	91.3 Å²	91.3	50%	0.5	48%	0.481	S	S	.	.	H	α-helix	trans	-51.3	-48.9	177.2	-89.6	171.6	-171.2	161.4	0	113.6	V1049 N1050 M1056 R1057	V1049-K1053 WeakPolarHBondContact O-CG 3.15Å; V1049-K1053 PolarHBondContact O-N 3.01Å; N1050-K1053 PolarHBondContact OD1-NZ 3.32Å; K1053-M1056 PolarHBondContact O-N 3.42Å; K1053-R1057 PolarHBondContact O-N 3.14Å; K1053-R1057 VanDerWaalsContact O-N 3.08Å
1054	P	32.4	Very low	37	Very low	63 Å²	63	94.8 Å²	94.8	41%	0.409	49%	0.49	S	S	.	.	H	α-helix	trans	-61.4	-39.9	173.2	-25.5	34.4	0	0	0	113.4	N1050 R1057 Y1058	N1050-P1054 WeakPolarHBondContact O-CD 3.33Å; P1054-R1057 PolarHBondContact O-N 3.43Å; P1054-Y1058 PolarHBondContact O-N 2.98Å
1055	L	31.4	Very low	36.2	Very low	106 Å²	106	98.6 Å²	98.6	56%	0.555	51%	0.508	S	S	*	.	H	α-helix	trans	-67.5	-37.3	179.8	-59.8	175	0	0	0	111.8	I1052 Y1058 H1059	I1052-L1055 CarbonylContact O-C 3.4Å; I1052-L1055 WeakPolarHBondContact O-CA 3.49Å; I1052-L1055 WeakPolarHBondContact O-CB 3.35Å; I1052-L1055 PolarHBondContact O-N 3.07Å; L1055-Y1058 PolarHBondContact O-N 3.2Å; L1055-H1059 PolarHBondContact O-N 3.02Å
1056	M	32.9	Very low	35.4	Very low	97 Å²	97	101.3 Å²	101.3	48%	0.478	53%	0.527	S	S	.	.	H	α-helix	trans	-66	-42.3	173.3	-68.3	-73.9	-79.1	0	0	111.5	I1052 K1053 Y1058 H1059 S1060	I1052-M1056 HydrophobicContact CG2-CG 3.56Å; I1052-M1056 HydrophobicContact CG2-SD 4.34Å; I1052-M1056 WeakPolarHBondContact O-CG 3.17Å; I1052-M1056 PolarHBondContact O-N 3.33Å; K1053-M1056 PolarHBondContact O-N 3.42Å; M1056-Y1058 VanDerWaalsContact C-N 3.28Å; M1056-Y1058 PolarHBondContact O-N 3.23Å; M1056-H1059 PolarHBondContact O-N 2.96Å; M1056-S1060 PolarHBondContact O-N 3.28Å; M1056-S1060 PolarHBondContact O-OG 2.85Å
1057	R	33.3	Very low	34.1	Very low	166 Å²	166	102.8 Å²	102.8	63%	0.626	54%	0.541	S	S	*	.	H	α-helix	trans	-59.6	-38.7	172.4	-74	-177.4	178.6	-176.5	0.4	112	K1053 P1054	K1053-R1057 PolarHBondContact O-N 3.14Å; K1053-R1057 VanDerWaalsContact O-N 3.08Å; P1054-R1057 PolarHBondContact O-N 3.43Å
1058	Y	28.6	Very low	33	Very low	42 Å²	42	103.4 Å²	103.4	17%	0.165	55%	0.548	C	S	.	.	H	α-helix	trans	-67.2	-40.2	174.8	-97.7	-70.3	0	0	0	113.3	F173 P305 L306 P1054 L1055 M1056 L1061	F173-Y1058 HydrophobicContact CE1-CE1 4.47Å; F173-Y1058 HydrophobicContact CZ-CD1 4.35Å; F173-Y1058 HydrophobicContact CZ-CE1 4.24Å; P305-Y1058 WeakPolarHBondContact CG-OH 3.27Å; L306-Y1058 HydrophobicContact CD1-CD1 4.11Å; L306-Y1058 HydrophobicContact CD1-CE1 3.93Å; L306-Y1058 HydrophobicContact CD2-CD1 3.62Å; L306-Y1058 HydrophobicContact CD2-CE1 3.99Å; L306-Y1058 HydrophobicContact CD2-CG 4.49Å; L306-Y1058 HydrophobicContact CG-CD1 3.89Å; L306-Y1058 HydrophobicContact CG-CE1 3.71Å; P1054-Y1058 PolarHBondContact O-N 2.98Å; L1055-Y1058 PolarHBondContact O-N 3.2Å; M1056-Y1058 VanDerWaalsContact C-N 3.28Å; M1056-Y1058 PolarHBondContact O-N 3.23Å; Y1058-L1061 PolarHBondContact O-N 2.86Å
1059	H	29.8	Very low	32.4	Very low	121 Å²	121	107.7 Å²	107.7	56%	0.56	57%	0.567	S	S	*	*	H	α-helix	trans	-65.2	-44.5	177	-105.9	-87.4	0	0	0	112.3	L1055 M1056 L1061 S1062	L1055-H1059 PolarHBondContact O-N 3.02Å; M1056-H1059 PolarHBondContact O-N 2.96Å; H1059-L1061 PolarHBondContact O-N 3.31Å; H1059-L1061 VanDerWaalsContact O-N 3.11Å; H1059-S1062 WeakPolarHBondContact O-CB 3.48Å; H1059-S1062 PolarHBondContact O-N 3Å; H1059-S1062 PolarHBondContact O-OG 3.43Å
1060	S	31.3	Very low	31.5	Very low	84 Å²	84	110.3 Å²	110.3	59%	0.587	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-8.6	-179.5	-59.6	0	0	0	0	115	M1056	M1056-S1060 PolarHBondContact O-N 3.28Å; M1056-S1060 PolarHBondContact O-OG 2.85Å
1061	L	31.2	Very low	30.6	Very low	75 Å²	75	117.7 Å²	117.7	39%	0.393	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.2	-5.1	172.9	-70.6	171	0	0	0	113.3	F173 Y1058 H1059	F173-L1061 HydrophobicContact CE2-CB 3.61Å; F173-L1061 HydrophobicContact CZ-CB 3.83Å; F173-L1061 HydrophobicContact CZ-CD1 3.98Å; Y1058-L1061 PolarHBondContact O-N 2.86Å; H1059-L1061 PolarHBondContact O-N 3.31Å; H1059-L1061 VanDerWaalsContact O-N 3.11Å
1062	S	28.4	Very low	29.7	Very low	78 Å²	78	118.6 Å²	118.6	55%	0.545	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.4	-19.2	-179.1	69	0	0	0	0	114.1	H1059 R1064	H1059-S1062 WeakPolarHBondContact O-CB 3.48Å; H1059-S1062 PolarHBondContact O-N 3Å; H1059-S1062 PolarHBondContact O-OG 3.43Å; S1062-R1064 VanDerWaalsContact C-N 3.26Å; S1062-R1064 PolarHBondContact O-N 3.25Å; S1062-R1064 VanDerWaalsContact O-N 3.12Å
1063	E	27.5	Very low	29	Very low	130 Å²	130	120.5 Å²	120.5	61%	0.607	62%	0.622	S	S	*	*			trans	-87.5	49.7	177.4	-56.5	-152.7	110.1	0	0	113.1	R894	R894-E1063 IonicContact CZ-OE1 3.88Å; R894-E1063 IonicContact NH1-OE1 3.99Å; R894-E1063 IonicContact NH2-OE1 3.71Å; R894-E1063 PolarHBondContact NH2-OE1 2.96Å; R894-E1063 IonicContact NH2-OE2 2.7Å; R894-E1063 PolarHBondContact NH2-OE2 3.37Å; R894-E1063 VanDerWaalsContact NH2-OE2 3.1Å
1064	R	27.5	Very low	28.4	Very low	164 Å²	164	123 Å²	123	62%	0.619	63%	0.632	S	S	*	*			trans	-101.4	98.3	170.5	-157.9	175	-65.3	-168.3	1.3	109.6	S1062	S1062-R1064 VanDerWaalsContact C-N 3.26Å; S1062-R1064 PolarHBondContact O-N 3.25Å; S1062-R1064 VanDerWaalsContact O-N 3.12Å
1065	V	26	Very low	28	Very low	124 Å²	124	125.7 Å²	125.7	75%	0.752	65%	0.648	S	S	*	*			trans	-53.8	126.9	-177.4	178.1	0	0	0	0	111.1	S1067	V1065-S1067 PolarHBondContact O-N 3.5Å
1066	P	26.5	Very low	27.8	Very low	127 Å²	127	126.6 Å²	126.6	83%	0.825	66%	0.658	S	S	*	*			trans	-68	93.8	175.6	-21.8	34.4	0	0	0	112.1	N1068	P1066-N1068 PolarHBondContact O-N 3.45Å; P1066-N1068 VanDerWaalsContact O-N 3.09Å
1067	S	26	Very low	27.5	Very low	109 Å²	109	127.3 Å²	127.3	76%	0.762	67%	0.673	S	S	*	*			trans	-71.3	98.7	178.2	57.1	0	0	0	0	111.6	V1065	V1065-S1067 PolarHBondContact O-N 3.5Å
1068	N	25.8	Very low	27.3	Very low	145 Å²	145	124 Å²	124	78%	0.775	68%	0.675	S	S	*	*			trans	-158	89.6	165.4	-118.8	-22.9	0	0	0	113.1	P1066	P1066-N1068 PolarHBondContact O-N 3.45Å; P1066-N1068 VanDerWaalsContact O-N 3.09Å
1069	I	27.8	Very low	27.4	Very low	159 Å²	159	128.6 Å²	128.6	82%	0.815	71%	0.708	S	S	*	*			trans	-135.3	108.1	160.2	-61.1	-177.5	0	0	0	107.3
1070	D	26.3	Very low	27.6	Very low	133 Å²	133	127 Å²	127	71%	0.711	71%	0.708	S	S	*	*			trans	-68.1	128.6	-176.5	-88.5	-59.6	0	0	0	113.8
1071	W	25	Very low	27.7	Very low	230 Å²	230	127.9 Å²	127.9	87%	0.871	71%	0.71	S	S	*	*			trans	-139.6	83.3	154.3	-81.6	94.3	0	0	0	111
1072	N	24.4	Very low	27.7	Very low	141 Å²	141	127.1 Å²	127.1	75%	0.754	71%	0.709	S	S	*	*			trans	-98	99.4	-177.2	-174.1	-6.4	0	0	0	112.2
1073	T	26.9	Very low	28.2	Very low	121 Å²	121	126.3 Å²	126.3	74%	0.742	70%	0.702	S	S	*	*			trans	-162.2	112.6	151.4	24.8	0	0	0	0	113.8
1074	K	27.1	Very low	28.4	Very low	167 Å²	167	127 Å²	127	73%	0.726	71%	0.709	S	S	*	*			trans	48.9	100.7	142.1	-63.1	-174.7	175.4	-175.3	0	120.9
1075	T	24.9	Very low	28.6	Very low	121 Å²	121	125.7 Å²	125.7	74%	0.742	71%	0.713	S	S	*	*				15.3	123.7	116.6	57.9	0	0	0	0	119.2
1076	T	26.4	Very low	28.9	Very low	125 Å²	125	127.4 Å²	127.4	77%	0.767	72%	0.717	S	S	*	*				169.7	134.9	105.1	40.7	0	0	0	0	112.2
1077	S	26.4	Very low	29.1	Very low	112 Å²	112	127.9 Å²	127.9	78%	0.783	71%	0.712	S	S	*	*			trans	55.3	145.3	154	50.4	0	0	0	0	120.8
1078	S	30.5	Very low	29.5	Very low	97 Å²	97	131.7 Å²	131.7	68%	0.678	72%	0.718	S	S	*	*			cis	-173.6	134.1	-7.9	45.6	0	0	0	0	113.5
1079	T	29.4	Very low	29.7	Very low	138 Å²	138	133.6 Å²	133.6	85%	0.847	72%	0.722	S	S	*	*			trans	66.4	149.4	147.8	48.9	0	0	0	0	123.5
1080	P	35	Very low	30.1	Very low	86 Å²	86	130.5 Å²	130.5	56%	0.558	71%	0.712	S	S	*	*			trans	-121.8	-171.4	-171.5	45.1	-31.6	0	0	0	115.2
1081	T	31.9	Very low	30	Very low	103 Å²	103	134 Å²	134	63%	0.632	72%	0.717	S	S	*	*			trans	-176.3	114.6	154.4	-80.3	0	0	0	0	116.5
1082	T	31.2	Very low	30.4	Very low	60 Å²	60	132 Å²	132	37%	0.368	72%	0.717	S	S	.	*				60	142.5	120.6	-16.3	0	0	0	0	124.9	D957 S958	D957-T1082 VanDerWaalsContact O-CA 3.24Å; D957-T1082 WeakPolarHBondContact O-CA 3.34Å; S958-T1082 WeakPolarHBondContact OG-CA 3.21Å; S958-T1082 PolarHBondContact OG-N 2.8Å; S958-T1082 VanDerWaalsContact OG-N 3.12Å; S958-T1082 PolarHBondContact OG-OG1 3.29Å
1083	P	38.8	Very low	30.6	Very low	61 Å²	61	132.8 Å²	132.8	40%	0.396	72%	0.716	S	S	.	*			trans	-126.9	-159.2	-158.5	44.5	-25.8	0	0	0	115.5	D956 D957	D956-P1083 HydrophobicContact CB-CB 3.99Å; D957-P1083 VanDerWaalsContact O-CD 3.22Å; D957-P1083 WeakPolarHBondContact O-CD 3.44Å; D957-P1083 WeakPolarHBondContact O-CG 3.44Å
1084	N	33.4	Very low	30.9	Very low	144 Å²	144	135 Å²	135	77%	0.77	72%	0.717	S	S	*	*			trans	-176	130.5	146.3	-97.7	-32.7	0	0	0	119.9
1085	I	32.1	Very low	31.1	Very low	137 Å²	137	134.6 Å²	134.6	70%	0.703	72%	0.718	S	S	*	*			trans	14.7	136	144.3	-3.9	176.4	0	0	0	124.2
1086	L	31.1	Very low	31.4	Very low	159 Å²	159	134.4 Å²	134.4	83%	0.832	72%	0.719	S	S	*	*				176.3	152.8	107.4	-94	177.5	0	0	0	117.9
1087	L	30.9	Very low	31.8	Very low	138 Å²	138	137.3 Å²	137.3	72%	0.723	72%	0.724	S	S	*	*			trans	-58.8	152.4	-173.3	-76.3	65.9	0	0	0	119.1
1088	Q	34.6	Very low	31.9	Very low	189 Å²	189	140.9 Å²	140.9	88%	0.883	73%	0.728	S	S	*	*				-179.2	173.6	110	-95.9	169.2	28	0	0	114.8
1089	Q	29.1	Very low	32	Very low	185 Å²	185	144.7 Å²	144.7	86%	0.864	74%	0.735	S	S	*	*			trans	-124.8	-155.8	-177.5	-61.3	-174.2	-18.4	0	0	111
1090	P	36	Very low	32	Very low	94 Å²	94	145.3 Å²	145.3	61%	0.61	73%	0.728	S	S	*	*				-122.2	-174.9	-77.1	30.4	-10.9	0	0	0	114.9
1091	Y	25.3	Very low	31.8	Very low	207 Å²	207	147.9 Å²	147.9	81%	0.812	73%	0.733	S	S	*	*			trans	72.9	128.7	168.6	-61.5	-80.4	0	0	0	120.3
1092	H	33.7	Very low	31.7	Very low	186 Å²	186	150.1 Å²	150.1	86%	0.861	74%	0.736	S	S	*	*				-176.8	173.3	107.2	-109.2	-84.5	0	0	0	114.7
1093	H	28.3	Very low	31.7	Very low	159 Å²	159	152.4 Å²	152.4	74%	0.736	75%	0.752	S	S	*	*			trans	-70.2	155.4	-177	-78.6	-29.3	0	0	0	116.4
1094	H	33.5	Very low	31.2	Very low	167 Å²	167	157.5 Å²	157.5	77%	0.773	78%	0.775	S	S	*	*				162.3	157.3	112.6	-87.5	-78.5	0	0	0	108.5
1095	Q	30.9	Very low	30.8	Very low	159 Å²	159	155.8 Å²	155.8	74%	0.743	77%	0.765	S	S	*	*			cis	169.6	144.1	-24.4	-174.6	171.7	8.4	0	0	104.5
1096	P	30.4	Very low	30.5	Very low	117 Å²	117	158.6 Å²	158.6	76%	0.76	77%	0.768	S	S	*	*			trans	-105.5	158.9	-165.8	38.7	-35.6	0	0	0	116.6
1097	Q	34.3	Very low	30.2	Very low	186 Å²	186	155.4 Å²	155.4	87%	0.869	76%	0.759	S	S	*	*			trans	-143.5	130.6	165.1	-66.9	-179.5	-33.4	0	0	107
1098	Q	29	Very low	30.1	Very low	187 Å²	187	156.6 Å²	156.6	87%	0.874	76%	0.761	S	S	*	*				88.3	108.2	51.6	-86.8	-161.9	-18.6	0	0	115.2
1099	E	32.3	Very low	29.9	Very low	176 Å²	176	154.6 Å²	154.6	82%	0.822	76%	0.756	S	S	*	*			trans	-173.1	108.7	146.9	-103.9	167.2	-171.4	0	0	107.5
1100	Q	31	Very low	29.7	Very low	151 Å²	151	152.1 Å²	152.1	71%	0.706	75%	0.749	S	S	*	*				79.7	106.3	92.3	-74.5	-164.3	-63.4	0	0	114.9
1101	E	29.1	Very low	29.5	Very low	140 Å²	140	153 Å²	153	65%	0.654	76%	0.757	S	S	*	*				84.2	142.7	89.4	-77.6	-170.9	109.8	0	0	113.6
1102	Q	30.6	Very low	29.6	Very low	150 Å²	150	149.3 Å²	149.3	70%	0.701	75%	0.75	S	S	*	*			cis	-154.2	171.4	5.3	-116	177.3	37.6	0	0	110.4
1103	P	31.5	Very low	29.4	Very low	108 Å²	108	147 Å²	147	70%	0.701	74%	0.744	S	S	*	*			trans	-96.6	180	178.4	39.6	-34.1	0	0	0	113.6
1104	I	28.6	Very low	29.5	Very low	169 Å²	169	144.5 Å²	144.5	87%	0.867	74%	0.736	S	S	*	*			trans	177.1	177.4	153.2	-94	152.9	0	0	0	111.5
1105	N	25.2	Very low	29.3	Very low	107 Å²	107	144.4 Å²	144.4	57%	0.572	73%	0.734	S	S	*	*				-155.7	170.7	-123.7	-168.9	3.5	0	0	0	112.3
1106	Y	25.7	Very low	29.4	Very low	197 Å²	197	143.3 Å²	143.3	77%	0.773	73%	0.733	S	S	*	*			trans	66.1	163.8	169.9	-51.9	-62	0	0	0	117
1107	S	25	Very low	29.4	Very low	92 Å²	92	142.6 Å²	142.6	64%	0.643	73%	0.731	S	S	*	*			cis	-157.5	-176.2	-23	-118.1	0	0	0	0	110.9
1108	E	27.8	Very low	29.6	Very low	162 Å²	162	138.7 Å²	138.7	76%	0.757	72%	0.722	S	S	*	*			trans	-37.7	153.6	171.9	-58.7	120.8	127.9	0	0	117.8
1109	D	30.2	Very low	29.7	Very low	147 Å²	147	136.3 Å²	136.3	79%	0.786	72%	0.715	S	S	*	*				-173.5	170.1	99.2	-126	-30.9	0	0	0	118.4
1110	L	26.2	Very low	29.6	Very low	134 Å²	134	133.4 Å²	133.4	70%	0.702	71%	0.709	S	S	*	*			trans	-62.3	146.8	-170	-67.3	149.1	0	0	0	120.1	I1112	L1110-I1112 HydrophobicContact CD2-CD1 4.3Å
1111	S	30.9	Very low	29.6	Very low	112 Å²	112	131.4 Å²	131.4	78%	0.783	71%	0.708	S	S	*	*				167.9	122.8	125.5	42.2	0	0	0	0	110.7
1112	I	26.9	Very low	29.4	Very low	130 Å²	130	132.6 Å²	132.6	67%	0.667	71%	0.713	S	S	*	*			cis	92.7	128.1	46.8	-67.6	167.4	0	0	0	113.3	L1110	L1110-I1112 HydrophobicContact CD2-CD1 4.3Å
1113	N	31	Very low	29.5	Very low	136 Å²	136	133.8 Å²	133.8	73%	0.727	72%	0.719	S	S	*	*			trans	96.1	147.6	170.5	-66.7	-44.1	0	0	0	120.2
1114	N	29.1	Very low	29.2	Very low	108 Å²	108	134.3 Å²	134.3	58%	0.578	73%	0.725	S	S	*	*			cis	-173	167.2	-38	-135.1	-37.6	0	0	0	111.5
1115	F	29.9	Very low	29.4	Very low	165 Å²	165	131.2 Å²	131.2	72%	0.724	72%	0.718	S	S	*	*			trans	61.9	156.1	162	-53.8	-46.8	0	0	0	118.3
1116	N	32.3	Very low	29.6	Very low	135 Å²	135	131.3 Å²	131.3	72%	0.722	73%	0.727	S	S	*	*			cis	-152	142.4	-20.9	-100.2	-20.6	0	0	0	106.6
1117	S	30.4	Very low	29.8	Very low	103 Å²	103	127.1 Å²	127.1	72%	0.72	73%	0.727	S	S	*	*				79.6	153.2	70	-117.3	0	0	0	0	114.1
1118	P	38.9	Very low	30.1	Very low	104 Å²	104	128.3 Å²	128.3	68%	0.675	73%	0.73	S	S	*	*				-131.4	-118.5	-99.5	38.6	-18.5	0	0	0	114.9
1119	D	30.8	Very low	30.2	Very low	136 Å²	136	127.2 Å²	127.2	73%	0.727	73%	0.728	S	S	*	*			trans	73	145.3	172.3	-59.1	-23.8	0	0	0	117.6
1120	T	31.4	Very low	30.1	Very low	115 Å²	115	125.3 Å²	125.3	71%	0.706	72%	0.722	S	S	*	*			cis	-158.8	164	-2.2	9.9	0	0	0	0	112.3
1121	T	29.2	Very low	30.4	Very low	110 Å²	110	127.4 Å²	127.4	68%	0.675	73%	0.728	S	S	*	*			trans	8.9	157.6	146	61.2	0	0	0	0	121.9
1122	E	26.6	Very low	30.3	Very low	165 Å²	165	133.8 Å²	133.8	77%	0.771	74%	0.735	S	S	*	*			cis	-171.5	-162.6	-6.2	-109	174.9	-171.9	0	0	108.7
1123	Q	32.1	Very low	30.3	Very low	175 Å²	175	131.2 Å²	131.2	82%	0.818	73%	0.728	S	S	*	*			trans	74.1	110	166.1	-53	-178	9.4	0	0	114.9
1124	S	25.5	Very low	30.2	Very low	119 Å²	119	131.7 Å²	131.7	83%	0.832	73%	0.73	S	S	*	*			cis	81.6	89.8	17.3	100.6	0	0	0	0	116.9
1125	S	32.7	Very low	30.2	Very low	103 Å²	103	132 Å²	132	72%	0.72	73%	0.728	S	S	*	*			trans	-150.7	108.9	156.5	58	0	0	0	0	106.5
1126	S	29.6	Very low	30.1	Very low	110 Å²	110	133 Å²	133	77%	0.769	74%	0.735	S	S	*	*				52.9	127.8	98.8	73.6	0	0	0	0	112.6
1127	S	30.4	Very low	29.8	Very low	109 Å²	109	131.6 Å²	131.6	76%	0.762	74%	0.735	S	S	*	*			cis	-179.6	166.3	37.5	54.9	0	0	0	0	107.7
1128	V	30.4	Very low	29.8	Very low	117 Å²	117	133.3 Å²	133.3	71%	0.709	74%	0.736	S	S	*	*			cis	-164.7	140.6	1.1	105	0	0	0	0	108.3
1129	I	30.5	Very low	29.2	Very low	139 Å²	139	136.9 Å²	136.9	71%	0.713	75%	0.749	S	S	*	*				32.7	131.4	126.7	-68.1	172.4	0	0	0	117.9
1130	T	28.1	Very low	29.1	Very low	107 Å²	107	137 Å²	137	66%	0.656	75%	0.754	S	S	*	*			cis	-167.8	171.9	3	20.7	0	0	0	0	113
1131	Q	32.9	Very low	28.9	Very low	177 Å²	177	136 Å²	136	83%	0.827	75%	0.752	S	S	*	*			trans	76.8	102.4	146.2	-80.6	163.6	-15.1	0	0	122.3
1132	R	28.4	Very low	29	Very low	246 Å²	246	136.4 Å²	136.4	93%	0.928	76%	0.758	S	S	*	*			trans	6.3	132.4	141.6	-62.5	175	175.4	166.9	-3.1	120.1
1133	S	27.1	Very low	29.1	Very low	76 Å²	76	133.1 Å²	133.1	53%	0.531	75%	0.749	S	S	.	*				-161.5	-167.7	102.1	-155.6	0	0	0	0	111.5	T581	T581-S1133 WeakPolarHBondContact O-CB 3.31Å; T581-S1133 PolarHBondContact O-OG 3.31Å
1134	L	28.7	Very low	28.9	Very low	146 Å²	146	131.9 Å²	131.9	76%	0.764	75%	0.748	S	S	*	*			trans	-120.5	134.7	-177.9	-78.6	153.1	0	0	0	111.7	T581 S582	T581-L1134 CarbonylContact C-O 3.58Å; S582-L1134 PolarHBondContact N-O 2.79Å
1135	Q	28.4	Very low	29.3	Very low	115 Å²	115	131.5 Å²	131.5	54%	0.537	74%	0.744	S	S	.	*			trans	-156.7	149.3	158.9	-117	171.6	-8.2	0	0	111.7
1136	H	27.6	Very low	29.2	Very low	187 Å²	187	134.5 Å²	134.5	87%	0.866	75%	0.752	S	S	*	*			trans	-102.4	119.4	-172.1	-81.8	-122	0	0	0	113.4
1137	S	26.9	Very low	29.2	Very low	104 Å²	104	139.1 Å²	139.1	73%	0.727	75%	0.753	S	S	*	*			trans	-172.2	148.7	151.5	60.1	0	0	0	0	108.4
1138	N	28.9	Very low	29.2	Very low	140 Å²	140	141.2 Å²	141.2	75%	0.749	75%	0.75	S	S	*	*			cis	-128.1	121.2	20.9	-60.1	-60.2	0	0	0	112.2
1139	L	26.2	Very low	29	Very low	179 Å²	179	142.7 Å²	142.7	94%	0.937	75%	0.748	S	S	*	*			trans	-84.4	130.2	146.4	-94	69.3	0	0	0	106.8
1140	V	30.3	Very low	29	Very low	137 Å²	137	139.7 Å²	139.7	83%	0.83	74%	0.739	S	S	*	*			trans	-103.2	113	168	179	0	0	0	0	107.9
1141	S	27	Very low	29	Very low	95 Å²	95	137.6 Å²	137.6	66%	0.664	73%	0.729	S	S	*	*			trans	-70.4	137.3	176.9	49	0	0	0	0	111.6	T1143	S1141-T1143 PolarHBondContact O-N 3.16Å
1142	C	30.2	Very low	28.7	Very low	118 Å²	118	136.8 Å²	136.8	80%	0.797	72%	0.719	S	S	*	*			trans	-80	108.3	156	-163.2	0	0	0	0	107.6
1143	T	29.3	Very low	28.8	Very low	97 Å²	97	130.7 Å²	130.7	60%	0.595	71%	0.709	S	S	*	*			trans	-70.7	172.5	157.4	54.7	0	0	0	0	109.2	S1141	S1141-T1143 PolarHBondContact O-N 3.16Å
1144	D	28.6	Very low	28.9	Very low	148 Å²	148	131.1 Å²	131.1	79%	0.791	72%	0.718	S	S	*	*			trans	77.1	46.6	176.9	-44.4	5	0	0	0	113.9
1145	C	33.3	Very low	28.8	Very low	112 Å²	112	133.4 Å²	133.4	76%	0.757	72%	0.722	S	S	*	*			trans	-142	86.2	165.6	-79.8	0	0	0	0	109.6
1146	D	31.6	Very low	28.8	Very low	166 Å²	166	138.8 Å²	138.8	89%	0.888	74%	0.737	S	S	*	*			trans	-64.3	148.7	177.9	-67	-54.3	0	0	0	112.4
1147	R	28.8	Very low	28.8	Very low	207 Å²	207	134.4 Å²	134.4	78%	0.781	72%	0.723	S	S	*	*			trans	-77.4	167.9	173.4	-66	175.3	162.9	166.2	-7.5	109.3
1148	E	30.1	Very low	29	Very low	152 Å²	152	136.8 Å²	136.8	71%	0.71	72%	0.722	S	S	*	*				-134.4	172.5	76.5	-76.6	-62.1	103.3	0	0	114.4
1149	F	27.2	Very low	29	Very low	149 Å²	149	138.1 Å²	138.1	65%	0.654	72%	0.724	S	S	*	*			trans	-52.2	177.1	-172.2	-76.5	-106	0	0	0	118
1150	S	29.5	Very low	29.3	Very low	75 Å²	75	134.8 Å²	134.8	52%	0.524	71%	0.711	S	S	.	*			cis	-146.1	171.6	9.2	-151.4	0	0	0	0	115.5
1151	S	27.7	Very low	29.5	Very low	64 Å²	64	138 Å²	138	45%	0.448	71%	0.714	S	S	.	*			trans	-8.8	129.7	170.1	60	0	0	0	0	121.5
1152	Y	27.7	Very low	29.6	Very low	160 Å²	160	137.3 Å²	137.3	63%	0.627	71%	0.709	S	S	*	*				-142.5	114.4	127	-147.4	-92.6	0	0	0	109.9	N83 L741	N83-Y1152 PolarHBondContact OD1-OH 3.11Å; L741-Y1152 HydrophobicContact CD1-CE2 4.36Å
1153	T	30.6	Very low	29.9	Very low	117 Å²	117	139.5 Å²	139.5	72%	0.718	71%	0.707	S	S	*	*			trans	-90.2	170.3	-166.3	27.9	0	0	0	0	114
1154	A	29.1	Very low	30.2	Very low	85 Å²	85	142.8 Å²	142.8	70%	0.702	72%	0.716	S	S	*	*			trans	-71	147.8	-162.7	0	0	0	0	0	115.5
1155	F	25.7	Very low	30.4	Very low	195 Å²	195	140.1 Å²	140.1	86%	0.855	71%	0.709	S	S	*	*			trans	-143	75.5	140.3	-110.6	-69.2	0	0	0	111.3	V1157	F1155-V1157 HydrophobicContact CD1-CG2 3.67Å; F1155-V1157 HydrophobicContact CE1-CG2 4Å
1156	R	27.6	Very low	30.5	Very low	228 Å²	228	140.8 Å²	140.8	86%	0.86	71%	0.709	S	S	*	*			trans	-92.7	96.5	155.7	-94.6	-170.6	173.8	-174.8	-0.7	107.5	H1158	R1156-H1158 PolarHBondContact O-N 2.88Å
1157	V	29.2	Very low	30.7	Very low	94 Å²	94	138.3 Å²	138.3	57%	0.57	70%	0.701	S	S	*	*			trans	-72.4	98.5	168.9	-175.1	0	0	0	0	108.4	F1155 H1159	F1155-V1157 HydrophobicContact CD1-CG2 3.67Å; F1155-V1157 HydrophobicContact CE1-CG2 4Å; V1157-H1159 PolarHBondContact O-N 3.17Å
1158	H	30	Very low	30.9	Very low	154 Å²	154	134.8 Å²	134.8	71%	0.713	70%	0.697	S	S	*	*			trans	-81.2	89.4	168.2	-134.2	-84.4	0	0	0	107.8	R1156 T1160	R1156-H1158 PolarHBondContact O-N 2.88Å; H1158-T1160 VanDerWaalsContact C-N 3.25Å; H1158-T1160 PolarHBondContact O-N 2.81Å
1159	H	29.6	Very low	31	Very low	168 Å²	168	138 Å²	138	78%	0.778	70%	0.703	S	S	*	*			trans	-72.4	81.3	177.4	-108.4	-56	0	0	0	110.8	V1157 K1161	V1157-H1159 PolarHBondContact O-N 3.17Å; H1159-K1161 PolarHBondContact O-N 3.29Å
1160	T	31.5	Very low	31.5	Very low	109 Å²	109	139 Å²	139	67%	0.669	71%	0.71	S	S	*	*			trans	-74.1	104.4	167.7	47.9	0	0	0	0	109.4	H1158	H1158-T1160 VanDerWaalsContact C-N 3.25Å; H1158-T1160 PolarHBondContact O-N 2.81Å
1161	K	35.1	Very low	31.7	Very low	206 Å²	206	142.3 Å²	142.3	90%	0.896	72%	0.716	S	S	*	*			trans	-85.3	114.6	159.3	-75.2	-168.7	173.6	-170.7	0	108.6	H1159	H1159-K1161 PolarHBondContact O-N 3.29Å
1162	S	29.7	Very low	32	Very low	79 Å²	79	145.6 Å²	145.6	55%	0.552	73%	0.725	S	S	*	*			trans	-130.9	165.1	168.3	56.2	0	0	0	0	109.4
1163	H	35.7	Very low	32.4	Very low	164 Å²	164	144.4 Å²	144.4	76%	0.759	73%	0.725	S	S	*	*			trans	69.8	136.9	-172	-44.6	-74.7	0	0	0	112.2
1164	Q	36	Very low	32.6	Very low	166 Å²	166	145.2 Å²	145.2	78%	0.776	72%	0.72	S	S	*	*			cis	-147.9	122.2	2.5	-111	146.5	0	0	0	106.2
1165	S	32.5	Very low	32.9	Very low	93 Å²	93	148.2 Å²	148.2	65%	0.65	72%	0.719	S	S	*	*				88.9	128.7	83.1	69.8	0	0	0	0	115.6
1166	T	34.6	Very low	33.3	Very low	125 Å²	125	142.9 Å²	142.9	77%	0.767	71%	0.706	S	S	*	*			trans	65	148.6	158.3	54.1	0	0	0	0	118.1
1167	T	36	Very low	33.7	Very low	115 Å²	115	139.4 Å²	139.4	71%	0.706	70%	0.7	S	S	*	*			cis	-160.2	158.5	0.3	1.8	0	0	0	0	112.5
1168	N	33	Very low	34	Very low	133 Å²	133	141 Å²	141	71%	0.711	71%	0.705	S	S	*	*			trans	64.8	132.5	161.6	-68.4	-38.9	0	0	0	119.5
1169	R	32.6	Very low	34	Very low	220 Å²	220	138.7 Å²	138.7	83%	0.83	70%	0.698	S	S	*	*				76.1	111.1	56.4	-102.4	-179.6	178.9	176.5	0.3	111.9
1170	Q	37.1	Very low	34.1	Very low	169 Å²	169	136.7 Å²	136.7	79%	0.79	69%	0.689	S	S	*	*				-176.2	155.4	75.4	-91	-176.9	-32.7	0	0	114.9
1171	H	35.7	Very low	34	Very low	144 Å²	144	140.7 Å²	140.7	67%	0.667	69%	0.692	S	S	*	*			trans	66	126.6	145.1	-83.2	-105.3	0	0	0	126.2
1172	H	34	Very low	33.9	Very low	134 Å²	134	139 Å²	139	62%	0.62	68%	0.684	S	S	*	*			trans	76.6	116.9	141.4	-79.5	22.2	0	0	0	119.1
1173	Q	34.7	Very low	33.8	Very low	134 Å²	134	139.5 Å²	139.5	63%	0.626	69%	0.688	S	S	*	*				80.9	139.6	82.3	-74.5	-178.9	4.3	0	0	112.1
1174	Q	35.4	Very low	33.6	Very low	134 Å²	134	139 Å²	139	63%	0.626	69%	0.691	S	S	*	*			cis	-165.3	163.2	10.6	-129.7	165.2	12.1	0	0	113
1175	H	36	Very low	33.3	Very low	148 Å²	148	135.6 Å²	135.6	69%	0.685	69%	0.685	S	S	*	*			trans	62.2	139.8	164.8	-57.6	-62	0	0	0	118.8
1176	S	32.7	Very low	33.6	Very low	83 Å²	83	138.4 Å²	138.4	58%	0.58	69%	0.688	S	S	*	*			cis	80.7	134.5	32	-155.6	0	0	0	0	112.7
1177	H	36.6	Very low	33.6	Very low	156 Å²	156	141.9 Å²	141.9	72%	0.722	69%	0.687	S	S	*	*			cis	-130.7	165.9	23.5	-75	-102.3	0	0	0	111.7
1178	N	34.6	Very low	33.5	Very low	128 Å²	128	142.8 Å²	142.8	68%	0.684	69%	0.688	S	S	*	*				60.7	139.3	54.1	-98.8	-18.6	0	0	0	113.2
1179	N	30.4	Very low	33.3	Very low	105 Å²	105	143 Å²	143	56%	0.561	69%	0.688	S	S	*	*			cis	-169.8	152.1	4.2	-142.3	-27.7	0	0	0	111.4
1180	Q	32.3	Very low	33.4	Very low	125 Å²	125	135.3 Å²	135.3	58%	0.584	67%	0.665	S	S	*	*			trans	62.2	174.7	152.5	-74.9	161.5	46.8	0	0	117.2
1181	R	29.6	Very low	33	Very low	194 Å²	194	134.9 Å²	134.9	73%	0.732	66%	0.661	S	S	*	*			cis	-158.9	169.2	-15.4	-109.3	162.2	-178.5	166.4	-2.7	104.4
1182	K	32.2	Very low	32.9	Very low	171 Å²	171	134.4 Å²	134.4	74%	0.743	66%	0.661	S	S	*	*			cis	-164.7	168.9	20	-135.2	165.2	-174.7	179.3	0	110
1183	S	28.2	Very low	32.8	Very low	89 Å²	89	134.4 Å²	134.4	62%	0.622	66%	0.663	S	S	*	*			trans	-25.2	137.2	161.1	54.3	0	0	0	0	119.3
1184	N	31.2	Very low	32.7	Very low	154 Å²	154	134.4 Å²	134.4	82%	0.824	67%	0.665	S	S	*	*				-162.8	126	112.9	-93.1	-24.6	0	0	0	109
1185	S	30.3	Very low	32.6	Very low	94 Å²	94	134.5 Å²	134.5	66%	0.657	67%	0.667	S	S	*	*				88.9	93.3	59	-174.8	0	0	0	0	112.7
1186	Q	38.3	Very low	32.4	Very low	152 Å²	152	133.6 Å²	133.6	71%	0.71	67%	0.666	S	S	*	*			trans	-172.3	131.3	137.1	-99.1	159.1	68.9	0	0	109.3
1187	R	34.1	Very low	32.3	Very low	197 Å²	197	137 Å²	137	74%	0.743	67%	0.672	S	S	*	*				61.9	135	100.7	-62.8	-176.1	-168.7	144.3	-5.4	114
1188	N	33.7	Very low	32	Very low	135 Å²	135	135.6 Å²	135.6	72%	0.722	67%	0.668	S	S	*	*			cis	-156.2	174.6	3.2	-116.1	-1.4	0	0	0	113.9
1189	L	30.6	Very low	31.8	Very low	137 Å²	137	136.2 Å²	136.2	72%	0.717	67%	0.667	S	S	*	*			trans	-55.4	163.7	-174.9	-65.2	64.4	0	0	0	117.1
1190	T	33.5	Very low	32	Very low	58 Å²	58	138.8 Å²	138.8	36%	0.356	68%	0.676	S	S	.	*			trans	71.3	107.7	156.4	65.5	0	0	0	0	119.1	N381 N383	N381-T1190 PolarHBondContact ND2-O 3.2Å; N381-T1190 PolarHBondContact OD1-O 2.91Å; N383-T1190 HydrophobicContact CB-CG2 4.01Å
1191	K	29.6	Very low	31.9	Very low	160 Å²	160	140.1 Å²	140.1	70%	0.696	68%	0.684	S	S	*	*				-107.5	0	108.8	170.7	146.8	-68.5	-173	0	107.4	N381 K382 N383	N381-K1191 WeakPolarHBondContact OD1-CA 3.46Å; N381-K1191 WeakPolarHBondContact OD1-CB 3.29Å; N381-K1191 WeakPolarHBondContact OD1-CE 3.45Å; K382-K1191 VanDerWaalsContact C-OXT 3.26Å; K382-K1191 WeakPolarHBondContact CA-OXT 3.29Å; K382-K1191 PolarHBondContact N-OXT 3.11Å; N383-K1191 PolarHBondContact N-OXT 2.62Å; N383-K1191 PolarHBondContact OD1-O 3.31Å

Retrieved 1,191 of 1,191 residues in 196.6 ms (Link to these results)

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