A0A3Q0KMD1_SCHMA Loading...

Putative hunchback protein

AlphaFold DB , UniProt , Accession A0A3Q0KMD1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,178 aa.

						>A0A3Q0KMD1_SCHMA|A0A3Q0KMD1
MGDFSSIDRSELSESSNMYLELNNEPQFHPLWCILPSKNGTSNHMPYSTPCKENHQNNSESMDNRSYNTNSVPRVSDVNTLDNCEQTVPSISINASLAQNKSFSLCTSNGGNIPNKNVHNVDDTKLHQNNGISEMTTKQTVKSSESPIIQNIISPQFPTNEFSLTSIESQQYDINNCQISSLNRMNSQTKTTTTDQSDRQQNMSTEELFPEGHPSAQSSYQEEQFINIDCCSRFDVSGVDNKQTSAIVNTVHTMNGAQQYTETNSDNFLLKHNHSCGLSDYKGNLNQYPCPQPELNISASYPITSIHNNTDEHTSLEISSETQRALESSNSTPPSAENTDIHCQEKSNLLLTPSHHSPLTKTTLNNQMITSNWTKSDQWNTNCSVSNHQANERQNAYCFKKDTNEHVFLDYTDANSTVIQSPDAFTDDRTGHSIVSSDAQSSGDESDEEMSLVNFEHFTNSMQPNHAGLYFCHLCDFAGSDRQEFQDHLLSHYDYKCLKCDYTSHFHSDVPPENFSGKTIRSIRSKLQRCKQCDFVTDTKDEFWRHLRIHIKEDKRLECHLCCFITEYKHHLEYHMRNHMGSKPYKCPKCNYECVNKSMLNSHMKSHSNVYPYRCANCHYATKYCHSLKLHLTKHEHKPAVVLNSDGSLPPYDNTVELMNVKRGPNIRHGNSKSHCRRRNSSESTKTRMKGSSALKYISEKATLVSTTSKCSTSENTTPNKEYQNQTMENANSMNIPMDVNCDSSFNRSQLMSGFQTFVTTESNNISFSNSTLSTPVLFPTLTSANTIPVKFMETVNSITSDSIPITSSFSDSPITNSNTIMNSYSNPIGCNSNGIEEQCVTVTSDPFLNYSVSAYSSMVAFMAAMQCGDLSRAHLISSSSTNLSELTDLNFTPSNSICTTDIPHTIPSIEFCKNTVTTSLTSSNCSNYIQTKVSELNYPIINSSNLNTNTKITHSINELNHSSICSSSTPSNIVTLSNKDQFLQRKEIPLQESMEIIETNKELNKNLEKTKMIMSNKTGCNDIESALDLSSASCNKKSIDCDTFHRPIEYDYKLNTSEINEQNLQIIRNEKSIGKSHLIESQTVKSSIIPSSSPSSSSSSTLIDNNLNNNNHNNNKDSSDFSHECRFCEIRFRQRTLYDIHMGFHSHSDPYLCNRCGHQSNDSVEFFTHLGEEAHYS
					

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	35.5	Very low	34.4	Very low	243 Å²	243	147.9 Å²	147.9	100%	1.197	80%	0.795	S	S	*	*				0	115.8	0	-75.4	178.8	165.1	0	0	105.8
2	G	42.8	Very low	34.1	Very low	65 Å²	65	149.3 Å²	149.3	67%	0.67	80%	0.801	S	S	*	*			trans	74.2	100.6	-170.3	0	0	0	0	0	110.6
3	D	32.8	Very low	33.7	Very low	135 Å²	135	144.8 Å²	144.8	72%	0.722	79%	0.788	S	S	*	*			cis	85.1	133.6	26.4	-48.4	-60.4	0	0	0	114.8
4	F	34.3	Very low	33.4	Very low	192 Å²	192	146 Å²	146	84%	0.842	79%	0.785	S	S	*	*			trans	70.8	107.7	173.6	-58.8	-70.7	0	0	0	116.7
5	S	33.1	Very low	33.3	Very low	97 Å²	97	142.4 Å²	142.4	68%	0.678	78%	0.776	S	S	*	*				85.3	141.3	61.3	74.3	0	0	0	0	113.5
6	S	34	Very low	32.9	Very low	101 Å²	101	139.9 Å²	139.9	71%	0.706	77%	0.773	S	S	*	*			cis	-174.4	168.2	-2.7	-103.5	0	0	0	0	111.1
7	I	33.2	Very low	32.7	Very low	169 Å²	169	140.6 Å²	140.6	87%	0.867	78%	0.775	S	S	*	*			trans	74.1	138	157.7	-67.4	148	0	0	0	117.8
8	D	33.2	Very low	32.3	Very low	132 Å²	132	141.9 Å²	141.9	71%	0.706	78%	0.777	S	S	*	*			cis	-167.5	162.1	-27.2	-171.6	24.8	0	0	0	110.4
9	R	30.9	Very low	32	Very low	213 Å²	213	145.7 Å²	145.7	80%	0.804	78%	0.78	S	S	*	*			trans	91.1	132.8	163.2	-57.8	-170.8	171.3	-177.5	-6.2	121.8
10	S	35.1	Very low	31.8	Very low	106 Å²	106	145.1 Å²	145.1	74%	0.741	78%	0.776	S	S	*	*			trans	64.6	78.5	159.9	39.3	0	0	0	0	118.3
11	E	33.5	Very low	31.6	Very low	174 Å²	174	145.9 Å²	145.9	81%	0.813	78%	0.775	S	S	*	*				39.8	119.6	112.5	-61.5	168.7	162.6	0	0	117.3
12	L	30.3	Very low	31.3	Very low	165 Å²	165	140.8 Å²	140.8	86%	0.864	75%	0.752	S	S	*	*				57.4	131.1	58.3	-56.6	172.2	0	0	0	113.3
13	S	28.7	Very low	30.6	Very low	90 Å²	90	143.8 Å²	143.8	63%	0.629	75%	0.753	S	S	*	*			cis	-153.5	-169.9	-18.4	68	0	0	0	0	107.1
14	E	30.8	Very low	30.5	Very low	162 Å²	162	145.4 Å²	145.4	76%	0.757	76%	0.761	S	S	*	*			cis	-152.2	178.6	18.3	-159.7	48.8	-90.2	0	0	111
15	S	31.1	Very low	30.5	Very low	92 Å²	92	143.8 Å²	143.8	64%	0.643	76%	0.756	S	S	*	*			trans	-116.4	137.2	171.8	65.9	0	0	0	0	112.8
16	S	27.5	Very low	30.4	Very low	103 Å²	103	144.7 Å²	144.7	72%	0.72	76%	0.76	S	S	*	*			trans	172.9	156.4	148.1	-84.6	0	0	0	0	113
17	N	28.3	Very low	30.3	Very low	152 Å²	152	146.3 Å²	146.3	81%	0.813	76%	0.756	S	S	*	*			trans	67.7	146.9	165.7	-54.7	-31.2	0	0	0	117.6
18	M	27.1	Very low	30.1	Very low	164 Å²	164	146.8 Å²	146.8	81%	0.808	75%	0.752	S	S	*	*			cis	-157.1	162.9	-37.7	-143.4	178.5	76.3	0	0	107.8
19	Y	25.2	Very low	30	Very low	214 Å²	214	146.9 Å²	146.9	84%	0.839	75%	0.748	S	S	*	*			trans	-62.1	139.5	173.5	-88.7	-113.6	0	0	0	111.8
20	L	28	Very low	29.8	Very low	132 Å²	132	141.4 Å²	141.4	69%	0.691	74%	0.74	S	S	*	*				177.8	131.5	124.8	-92.9	162.5	0	0	0	110.7
21	E	28.3	Very low	29.6	Very low	163 Å²	163	143 Å²	143	76%	0.762	74%	0.74	S	S	*	*			trans	34.5	135.4	132.4	-73	164.3	-142.5	0	0	120.3
22	L	29.2	Very low	29.4	Very low	135 Å²	135	146.5 Å²	146.5	71%	0.707	75%	0.746	S	S	*	*			cis	-158.4	176.1	24.8	-112.5	151.2	0	0	0	112.6	N24	L22-N24 PolarHBondContact O-N 3.2Å
23	N	28.7	Very low	29.3	Very low	129 Å²	129	144.5 Å²	144.5	69%	0.69	74%	0.744	S	S	*	*			trans	-53.7	125.2	-176.3	-65.1	-39	0	0	0	115.8
24	N	29.3	Very low	29.5	Very low	169 Å²	169	146.7 Å²	146.7	90%	0.904	75%	0.747	S	S	*	*			trans	-99.4	62.5	169.5	-88.5	-54.6	0	0	0	112.3	L22	L22-N24 PolarHBondContact O-N 3.2Å
25	E	33.9	Very low	29.7	Very low	158 Å²	158	146.5 Å²	146.5	74%	0.738	75%	0.751	S	S	*	*			trans	-79.6	157.4	158.4	-80.1	-152.8	123.4	0	0	110.8	Q27	E25-Q27 VanDerWaalsContact C-N 3.3Å; E25-Q27 PolarHBondContact O-N 3.31Å
26	P	32.5	Very low	29.9	Very low	116 Å²	116	147.9 Å²	147.9	75%	0.753	76%	0.757	S	S	*	*			trans	-71.7	81.8	179.5	30.2	-36.1	0	0	0	112.1	F28	P26-F28 PolarHBondContact O-N 2.79Å; P26-F28 VanDerWaalsContact O-N 3.1Å
27	Q	32.1	Very low	30.1	Very low	135 Å²	135	148.7 Å²	148.7	63%	0.631	76%	0.763	S	S	*	*			trans	-57	111.6	175.1	-61.4	-179.9	11.6	0	0	110.8	E25 H29	E25-Q27 VanDerWaalsContact C-N 3.3Å; E25-Q27 PolarHBondContact O-N 3.31Å; Q27-H29 PolarHBondContact O-N 3.48Å; Q27-H29 PolarHBondContact OE1-CD2 3.26Å; Q27-H29 VanDerWaalsContact OE1-CD2 3.27Å
28	F	27.9	Very low	30.5	Very low	179 Å²	179	148.5 Å²	148.5	79%	0.785	76%	0.755	S	S	*	*			trans	-75.5	73.4	163.6	-94.1	-84.4	0	0	0	109.3	P26 P30	P26-F28 PolarHBondContact O-N 2.79Å; P26-F28 VanDerWaalsContact O-N 3.1Å; F28-P30 WeakPolarHBondContact O-CD 3.49Å
29	H	31.5	Very low	30.6	Very low	134 Å²	134	148.5 Å²	148.5	62%	0.62	76%	0.758	S	S	*	*			trans	-60.7	121.1	-171.7	-142.6	-69.2	0	0	0	111.2	Q27	Q27-H29 PolarHBondContact O-N 3.48Å; Q27-H29 PolarHBondContact OE1-CD2 3.26Å; Q27-H29 VanDerWaalsContact OE1-CD2 3.27Å
30	P	27.7	Very low	30.9	Very low	97 Å²	97	141.5 Å²	141.5	63%	0.63	75%	0.751	S	S	*	*			trans	-73.4	174.5	159.7	33.9	-33.9	0	0	0	109.7	F28	F28-P30 WeakPolarHBondContact O-CD 3.49Å
31	L	29.6	Very low	31.1	Very low	141 Å²	141	141.7 Å²	141.7	74%	0.738	76%	0.758	S	S	*	*			trans	72.1	115	-178.8	-47.6	168.5	0	0	0	115
32	W	30.1	Very low	31.1	Very low	247 Å²	247	138.1 Å²	138.1	94%	0.936	75%	0.751	S	S	*	*			trans	-149.1	72.6	134.7	-115.2	34	0	0	0	108.6
33	C	27.5	Very low	31	Very low	123 Å²	123	138.4 Å²	138.4	83%	0.831	75%	0.753	S	S	*	*			trans	-91.5	101.1	166.9	-70.9	0	0	0	0	108.8
34	I	33.4	Very low	31.2	Very low	136 Å²	136	140.4 Å²	140.4	70%	0.697	76%	0.758	S	S	*	*			trans	-115.4	103.6	168	-60.6	-179.5	0	0	0	107.7
35	L	34.6	Very low	31.3	Very low	158 Å²	158	140.6 Å²	140.6	83%	0.827	76%	0.755	S	S	*	*			trans	-69	159.9	165.1	-62.2	168.5	0	0	0	108.7
36	P	34.8	Very low	31.5	Very low	121 Å²	121	138.1 Å²	138.1	79%	0.786	75%	0.753	S	S	*	*				-146.2	157.1	97.8	38	-24	0	0	0	116.6
37	S	33.4	Very low	31.6	Very low	120 Å²	120	142.9 Å²	142.9	84%	0.839	76%	0.758	S	S	*	*			trans	74.1	145.7	150.6	-148.3	0	0	0	0	120.3
38	K	34.7	Very low	31.5	Very low	148 Å²	148	141.9 Å²	141.9	64%	0.643	77%	0.766	S	S	*	*			trans	-108.9	142.2	173.8	-59.7	161.6	-176.3	161.7	0	108.1
39	N	31	Very low	32.1	Very low	164 Å²	164	139.6 Å²	139.6	88%	0.877	77%	0.766	S	S	*	*			trans	-164.8	139.9	134.6	-88.9	-35.9	0	0	0	105.8
40	G	29.9	Very low	32.4	Very low	67 Å²	67	138.7 Å²	138.7	69%	0.691	77%	0.772	S	S	*	*				83.1	107.7	73.7	0	0	0	0	0	108.2
41	T	33	Very low	32.4	Very low	136 Å²	136	140.6 Å²	140.6	83%	0.834	79%	0.786	S	S	*	*			cis	-149.8	160.8	20.2	47.6	0	0	0	0	113.9
42	S	27.9	Very low	32.5	Very low	87 Å²	87	143.6 Å²	143.6	61%	0.608	79%	0.794	S	S	*	*			trans	-30.6	146.2	163.8	52.5	0	0	0	0	117.8
43	N	28.4	Very low	32.7	Very low	142 Å²	142	140.8 Å²	140.8	76%	0.759	79%	0.791	S	S	*	*				-177.2	151.5	104	-88.6	-32.6	0	0	0	115
44	H	31.1	Very low	32.7	Very low	171 Å²	171	140.9 Å²	140.9	79%	0.792	78%	0.783	S	S	*	*			trans	65.7	95.4	162.5	-67.6	-64.6	0	0	0	122.9
45	M	33.2	Very low	32.6	Very low	172 Å²	172	141.5 Å²	141.5	85%	0.847	78%	0.783	S	S	*	*				3.8	164	109.9	-86	176.6	67.3	0	0	120.4
46	P	36.7	Very low	32.6	Very low	107 Å²	107	141.5 Å²	141.5	70%	0.695	78%	0.778	S	S	*	*			cis	-138.6	-164.3	12.6	36.4	-13.7	0	0	0	116
47	Y	35.9	Very low	32.4	Very low	216 Å²	216	141.7 Å²	141.7	85%	0.847	77%	0.773	S	S	*	*			trans	-59.9	157.5	155.4	-87.8	-108.3	0	0	0	112.6
48	S	30.2	Very low	32.3	Very low	114 Å²	114	143 Å²	143	80%	0.797	77%	0.771	S	S	*	*	S	Bend	trans	68.8	159.7	158.6	54.3	0	0	0	0	119.7
49	T	39.3	Very low	32	Very low	130 Å²	130	139.9 Å²	139.9	80%	0.798	77%	0.768	S	S	*	*			trans	-58.2	166.4	-179.9	50	0	0	0	0	115.7
50	P	37.9	Very low	32.1	Very low	115 Å²	115	140.9 Å²	140.9	75%	0.747	77%	0.767	S	S	*	*			cis	-129	-173	-17.2	39.3	-23.2	0	0	0	112.9
51	C	27.5	Very low	32.4	Very low	137 Å²	137	142.1 Å²	142.1	93%	0.926	77%	0.765	S	S	*	*			trans	-126.8	155.4	166.4	-69.1	0	0	0	0	112.5
52	K	32.6	Very low	32.5	Very low	204 Å²	204	143.7 Å²	143.7	89%	0.887	77%	0.765	S	S	*	*			trans	-119.1	141.5	-175	-71.8	-176.3	176	-176.2	0	112.7
53	E	34.6	Very low	32.7	Very low	189 Å²	189	145.2 Å²	145.2	88%	0.883	77%	0.766	S	S	*	*			trans	-136.6	149.8	147.1	-76.1	-170.9	173.2	0	0	107.4
54	N	27.4	Very low	32.7	Very low	125 Å²	125	142.9 Å²	142.9	67%	0.668	75%	0.754	S	S	*	*			cis	-154.2	162.1	-32.2	-154.4	-11.1	0	0	0	108.5
55	H	30.3	Very low	32.8	Very low	148 Å²	148	144.5 Å²	144.5	69%	0.685	75%	0.753	S	S	*	*			trans	67.3	135.6	168.8	-68.4	-69.5	0	0	0	122.3
56	Q	34.2	Very low	32.6	Very low	158 Å²	158	140.7 Å²	140.7	74%	0.738	74%	0.743	S	S	*	*			trans	81	96.3	141.6	-72.2	170.1	-4.7	0	0	122.2
57	N	30.6	Very low	32.5	Very low	126 Å²	126	145.3 Å²	145.3	67%	0.674	75%	0.748	S	S	*	*				74.1	116.6	120.2	-58.2	-1.7	0	0	0	121
58	N	31.4	Very low	32.2	Very low	147 Å²	147	141 Å²	141	79%	0.786	74%	0.74	S	S	*	*			trans	68.3	154	134.5	-60.3	8.6	0	0	0	118.8
59	S	29.7	Very low	32.1	Very low	83 Å²	83	140.6 Å²	140.6	58%	0.58	73%	0.733	S	S	*	*			cis	-173.8	144.2	-27.9	49.5	0	0	0	0	107.1
60	E	33.4	Very low	31.7	Very low	185 Å²	185	141.6 Å²	141.6	86%	0.864	73%	0.733	S	S	*	*			trans	63.6	162	167.1	-67.5	156.1	-152.3	0	0	115.4
61	S	34.4	Very low	31.5	Very low	92 Å²	92	141.5 Å²	141.5	64%	0.643	74%	0.735	S	S	*	*			cis	-163.3	163.8	-32.2	59	0	0	0	0	108.9
62	M	35.6	Very low	31.8	Very low	170 Å²	170	141.6 Å²	141.6	84%	0.837	73%	0.731	S	S	*	*			trans	64	153.9	150	-77.2	-172.9	155.1	0	0	120
63	D	32	Very low	31.9	Very low	118 Å²	118	137.7 Å²	137.7	63%	0.631	73%	0.726	S	S	*	*			cis	-166.7	173.3	-29.7	-151.1	-11.1	0	0	0	110.7
64	N	29.3	Very low	31.5	Very low	94 Å²	94	139.6 Å²	139.6	50%	0.503	73%	0.726	S	S	.	*			trans	65.3	124.7	149	-81	-68.8	0	0	0	123
65	R	32.3	Very low	31.7	Very low	205 Å²	205	140.1 Å²	140.1	77%	0.774	73%	0.733	S	S	*	*			trans	72.1	120.8	137.4	-60.4	165.6	-160.7	-163.5	0	118.3
66	S	29.8	Very low	31.6	Very low	91 Å²	91	137 Å²	137	64%	0.636	73%	0.728	S	S	*	*			cis	75.6	119.6	44.1	82.9	0	0	0	0	115.5
67	Y	33.6	Very low	31.2	Very low	204 Å²	204	136.8 Å²	136.8	80%	0.8	73%	0.732	S	S	*	*			trans	-175.1	143.2	133.3	-100.3	-60.1	0	0	0	113.7
68	N	29.5	Very low	31.2	Very low	126 Å²	126	137.5 Å²	137.5	67%	0.674	74%	0.741	S	S	*	*			trans	33.6	116.4	147.4	-69.5	11.2	0	0	0	120.8
69	T	28.5	Very low	30.9	Very low	106 Å²	106	137 Å²	137	65%	0.65	74%	0.738	S	S	*	*				60.6	120.4	73.4	68.6	0	0	0	0	116.1
70	N	30.7	Very low	31	Very low	150 Å²	150	139.4 Å²	139.4	80%	0.802	75%	0.749	S	S	*	*				178.9	163.2	124.5	-92.8	-20.8	0	0	0	115.7
71	S	34.9	Very low	30.7	Very low	114 Å²	114	137.2 Å²	137.2	80%	0.797	74%	0.743	S	S	*	*			trans	63.1	93.5	152.1	49.2	0	0	0	0	121.6
72	V	34.2	Very low	30.6	Very low	139 Å²	139	138.8 Å²	138.8	84%	0.842	74%	0.744	S	S	*	*			trans	-73.7	148.1	144.3	163.8	0	0	0	0	109.1
73	P	32.8	Very low	30.2	Very low	121 Å²	121	137.1 Å²	137.1	79%	0.786	74%	0.738	S	S	*	*				-151.5	167.4	105.5	39	-20	0	0	0	118.2
74	R	27.7	Very low	30.1	Very low	229 Å²	229	137 Å²	137	86%	0.864	75%	0.745	S	S	*	*			trans	-76.1	155.3	170.3	-59.6	162	162.6	165.3	-10.5	113.1
75	V	31.8	Very low	30	Very low	136 Å²	136	140.8 Å²	140.8	82%	0.824	76%	0.76	S	S	*	*			trans	-150.4	111.5	139.8	-178.1	0	0	0	0	104.3
76	S	26.8	Very low	30.2	Very low	82 Å²	82	139.3 Å²	139.3	57%	0.573	76%	0.762	S	S	*	*			cis	75.8	112.9	50	76.9	0	0	0	0	115.2
77	D	26.1	Very low	30.3	Very low	155 Å²	155	141.2 Å²	141.2	83%	0.829	77%	0.77	S	S	*	*			trans	32.4	129.8	147.8	-38.7	-41.9	0	0	0	120.9
78	V	31.4	Very low	30	Very low	141 Å²	141	137.4 Å²	137.4	86%	0.855	77%	0.768	S	S	*	*				-177.3	150.6	126.2	141.2	0	0	0	0	111.9
79	N	24.7	Very low	30.1	Very low	136 Å²	136	136.4 Å²	136.4	73%	0.727	77%	0.768	S	S	*	*			trans	-80.1	146	179.4	-30.4	-82.6	0	0	0	113.5
80	T	32.6	Very low	30	Very low	134 Å²	134	136.8 Å²	136.8	82%	0.822	78%	0.775	S	S	*	*			trans	-161.6	125.1	135.2	26.1	0	0	0	0	106.5
81	L	26.4	Very low	30	Very low	139 Å²	139	137 Å²	137	73%	0.728	78%	0.775	S	S	*	*				74.2	144.3	59.2	-97.5	82.6	0	0	0	115.6
82	D	31.5	Very low	29.6	Very low	125 Å²	125	136.5 Å²	136.5	67%	0.668	77%	0.771	S	S	*	*			trans	72	119.8	169.7	-55.7	-45.9	0	0	0	118.4
83	N	26.8	Very low	29.4	Very low	134 Å²	134	137.1 Å²	137.1	72%	0.717	77%	0.768	S	S	*	*			cis	93.9	105.9	35.7	-70.5	-41.2	0	0	0	113.4
84	C	30.7	Very low	29.1	Very low	116 Å²	116	138.6 Å²	138.6	78%	0.784	77%	0.769	S	S	*	*			trans	-177.3	105.4	142.6	-92.6	0	0	0	0	105.8
85	E	27.6	Very low	29.2	Very low	174 Å²	174	131.6 Å²	131.6	81%	0.813	76%	0.761	S	S	*	*				73.3	150.1	63.7	-67.3	-154.8	132.8	0	0	115
86	Q	36.5	Very low	29	Very low	173 Å²	173	129.8 Å²	129.8	81%	0.808	75%	0.754	S	S	*	*			trans	89.4	122.2	178	-56.6	172	45.2	0	0	115.8
87	T	31.1	Very low	29	Very low	132 Å²	132	131.3 Å²	131.3	81%	0.81	76%	0.755	S	S	*	*			cis	-154.6	149	-10.8	-8.9	0	0	0	0	112.5
88	V	27.9	Very low	29.3	Very low	124 Å²	124	126.6 Å²	126.6	75%	0.752	74%	0.738	S	S	*	*			trans	-71.9	167.3	163.9	-121.4	0	0	0	0	109.9
89	P	32.4	Very low	29.3	Very low	104 Å²	104	124.8 Å²	124.8	68%	0.675	72%	0.72	S	S	*	*			cis	-141	161.8	37.6	41.2	-21.9	0	0	0	118.6
90	S	25.5	Very low	29.5	Very low	115 Å²	115	123.7 Å²	123.7	80%	0.804	71%	0.714	S	S	*	*			trans	-76	142	155.8	38.7	0	0	0	0	111.3
91	I	30.8	Very low	29.3	Very low	154 Å²	154	125.6 Å²	125.6	79%	0.79	71%	0.711	S	S	*	*			trans	-132.7	127.4	170.8	-64.6	-179.7	0	0	0	108.5
92	S	26	Very low	29.4	Very low	104 Å²	104	123.4 Å²	123.4	73%	0.727	71%	0.707	S	S	*	*			trans	-94.6	157.3	170	50.4	0	0	0	0	110.8
93	I	30.5	Very low	29.3	Very low	151 Å²	151	127 Å²	127	77%	0.774	72%	0.717	S	S	*	*			trans	176.3	123.5	143.7	-92.1	150.8	0	0	0	111
94	N	25.6	Very low	29.4	Very low	152 Å²	152	124.9 Å²	124.9	81%	0.813	71%	0.713	S	S	*	*			trans	13.6	152.5	146.9	-43.6	-24.7	0	0	0	123.7
95	A	29.5	Very low	29.3	Very low	83 Å²	83	126.7 Å²	126.7	69%	0.686	71%	0.714	S	S	*	*			trans	111	108.2	130.7	0	0	0	0	0	121.6
96	S	27.9	Very low	29.3	Very low	97 Å²	97	123.4 Å²	123.4	68%	0.678	71%	0.709	S	S	*	*				66.6	135.5	116.2	-50.5	0	0	0	0	124.7
97	L	27.2	Very low	29	Very low	114 Å²	114	120.7 Å²	120.7	60%	0.597	71%	0.705	S	S	*	*			trans	59.7	149	136.9	-92.6	60.8	0	0	0	121	N330 S331	L97-N330 WeakPolarHBondContact O-CB 3.32Å; L97-N330 PolarHBondContact O-ND2 3.26Å; L97-S331 VanDerWaalsContact CA-OG 3.31Å; L97-S331 WeakPolarHBondContact CA-OG 3.3Å; L97-S331 PolarHBondContact N-OG 3.41Å
98	A	32.5	Very low	29.1	Very low	57 Å²	57	118.9 Å²	118.9	47%	0.471	70%	0.698	S	S	.	*			cis	-145.4	168.8	-0.5	0	0	0	0	0	113.6	N330 S331	A98-N330 VanDerWaalsContact N-CB 3.26Å; A98-N330 CarbonylContact O-C 3.58Å; A98-N330 WeakPolarHBondContact O-CA 3.36Å; A98-N330 PolarHBondContact O-N 3.38Å; A98-N330 VanDerWaalsContact O-N 3.12Å; A98-S331 CarbonylContact C-O 3.57Å; A98-S331 WeakPolarHBondContact CA-O 3.39Å; A98-S331 PolarHBondContact O-N 3.48Å
99	Q	31.3	Very low	29.2	Very low	102 Å²	102	120.8 Å²	120.8	48%	0.477	70%	0.704	S	S	.	*			trans	-69.8	-179	-170.9	-118.4	172.9	23	0	0	116.6	S331	Q99-S331 WeakPolarHBondContact CA-O 3.36Å; Q99-S331 WeakPolarHBondContact CB-O 3.49Å; Q99-S331 WeakPolarHBondContact CG-O 3.49Å; Q99-S331 PolarHBondContact N-O 3.47Å
100	N	28.4	Very low	29.2	Very low	114 Å²	114	120 Å²	120	61%	0.61	71%	0.714	S	S	*	*			trans	94.3	151.7	160.8	-53.5	-81.4	0	0	0	117.3
101	K	30	Very low	29.4	Very low	174 Å²	174	117.8 Å²	117.8	76%	0.757	71%	0.709	S	S	*	*			cis	-164.6	155.2	-21.8	-112.8	175.2	-177.5	122.6	0	111.4
102	S	28.8	Very low	29.5	Very low	92 Å²	92	117.9 Å²	117.9	64%	0.643	71%	0.712	S	S	*	*			trans	3.9	131.6	153.3	60.3	0	0	0	0	122.5
103	F	29.3	Very low	29.6	Very low	200 Å²	200	119.7 Å²	119.7	88%	0.877	71%	0.712	S	S	*	*			trans	-160.8	96.2	134	-95.5	-80.6	0	0	0	106.7
104	S	28	Very low	29.7	Very low	90 Å²	90	117.9 Å²	117.9	63%	0.629	71%	0.709	S	S	*	*				59.7	122.6	75.2	80.1	0	0	0	0	115.5
105	L	28	Very low	29.9	Very low	155 Å²	155	116.6 Å²	116.6	81%	0.812	70%	0.703	S	S	*	*			trans	-165	127.3	137.5	-129.3	82.9	0	0	0	111.7
106	C	27.9	Very low	30.1	Very low	105 Å²	105	121.7 Å²	121.7	71%	0.709	71%	0.709	S	S	*	*			trans	58.3	143.3	140.6	-66.7	0	0	0	0	121.8
107	T	30.3	Very low	30.3	Very low	116 Å²	116	122.5 Å²	122.5	71%	0.712	71%	0.706	S	S	*	*			cis	-162.5	146.4	3.5	1	0	0	0	0	113.4
108	S	33.7	Very low	30.3	Very low	94 Å²	94	121.7 Å²	121.7	66%	0.657	71%	0.706	S	S	*	*			trans	62.2	148.3	143.6	65.7	0	0	0	0	121.5
109	N	30.1	Very low	30.4	Very low	164 Å²	164	126.7 Å²	126.7	88%	0.877	72%	0.719	S	S	*	*			cis	-166.2	139	-13.6	-104.7	-13.6	0	0	0	111.3
110	G	31.2	Very low	30.3	Very low	86 Å²	86	127.4 Å²	127.4	89%	0.887	73%	0.726	S	S	*	*			trans	76.6	142.1	155	0	0	0	0	0	118.4
111	G	31.1	Very low	30.5	Very low	69 Å²	69	127.3 Å²	127.3	71%	0.711	73%	0.729	S	S	*	*			cis	174.4	165.9	-7.6	0	0	0	0	0	114.7
112	N	31.8	Very low	30.7	Very low	157 Å²	157	125.3 Å²	125.3	84%	0.84	73%	0.727	S	S	*	*			trans	60.2	91	166.7	-54.9	-13.6	0	0	0	117.5
113	I	28.8	Very low	31	Very low	142 Å²	142	127.4 Å²	127.4	73%	0.728	73%	0.731	S	S	*	*				33.2	115.7	57.3	-55	178.8	0	0	0	111.2
114	P	33.2	Very low	31.3	Very low	112 Å²	112	120.9 Å²	120.9	73%	0.727	71%	0.707	S	S	*	*				-153.5	140.7	70.1	38.5	-17.2	0	0	0	120.4
115	N	28	Very low	31.6	Very low	125 Å²	125	124.3 Å²	124.3	67%	0.668	71%	0.711	S	S	*	*				32.6	135.7	121.3	-45.9	-14.9	0	0	0	121.4
116	K	35.2	Very low	31.8	Very low	190 Å²	190	122.9 Å²	122.9	83%	0.826	70%	0.703	S	S	*	*				163	151	107	-86.5	171.7	-177.4	-179	0	110.3
117	N	30.6	Very low	32.1	Very low	115 Å²	115	124.7 Å²	124.7	62%	0.615	70%	0.701	S	S	*	*			cis	-154.6	134.6	-21.5	-110.1	12.1	0	0	0	105.5
118	V	28.8	Very low	32.4	Very low	97 Å²	97	125.7 Å²	125.7	59%	0.588	70%	0.698	S	S	*	*				53.8	106.7	86.9	-173.1	0	0	0	0	113.7
119	H	33.1	Very low	32.4	Very low	162 Å²	162	126.9 Å²	126.9	75%	0.75	70%	0.697	S	S	*	*			trans	152.5	150	134.8	-81.3	-59.2	0	0	0	110.8
120	N	29.7	Very low	32.4	Very low	117 Å²	117	126.7 Å²	126.7	63%	0.626	70%	0.696	S	S	*	*			cis	167.9	152.2	-33.6	-111.7	41.8	0	0	0	107.4
121	V	32.8	Very low	32.4	Very low	111 Å²	111	126.4 Å²	126.4	67%	0.673	69%	0.693	S	S	*	*			trans	67.2	142.3	139.4	165.5	0	0	0	0	118.6
122	D	35.1	Very low	32.5	Very low	132 Å²	132	130.7 Å²	130.7	71%	0.706	70%	0.698	S	S	*	*			cis	-166.4	168.8	-25.6	-86.7	-24	0	0	0	104.6
123	D	34	Very low	32.3	Very low	136 Å²	136	129 Å²	129	73%	0.727	70%	0.698	S	S	*	*				-172	119.6	114.4	-130.6	-36.4	0	0	0	114.4	K125	D123-K125 IonicContact OD1-NZ 3.34Å; D123-K125 PolarHBondContact OD1-NZ 3.39Å
124	T	35.3	Very low	32.3	Very low	63 Å²	63	131.1 Å²	131.1	39%	0.387	71%	0.705	S	S	.	*			trans	-51.3	162.5	166.2	55.3	0	0	0	0	116.8	D340	T124-D340 WeakPolarHBondContact CG2-OD2 3.46Å
125	K	35.8	Very low	32.2	Very low	162 Å²	162	135.1 Å²	135.1	70%	0.704	72%	0.717	S	S	*	*			trans	142.5	146.4	131.8	-79.1	147.3	-160	130.2	0	114.8	D123	D123-K125 IonicContact OD1-NZ 3.34Å; D123-K125 PolarHBondContact OD1-NZ 3.39Å
126	L	31.6	Very low	32.3	Very low	125 Å²	125	135.6 Å²	135.6	65%	0.654	72%	0.724	S	S	*	*			cis	-172.2	144.5	-24.6	-150.6	80	0	0	0	109.7
127	H	34.9	Very low	32.1	Very low	143 Å²	143	133 Å²	133	66%	0.662	72%	0.724	S	S	*	*			trans	65.6	156.7	151	-76.2	-172.1	0	0	0	119.8
128	Q	35.7	Very low	32.3	Very low	137 Å²	137	136.5 Å²	136.5	64%	0.64	73%	0.734	S	S	*	*			cis	-159.8	152.6	-3.2	-121.5	168.1	-10.2	0	0	114.6
129	N	33.8	Very low	32.5	Very low	119 Å²	119	140 Å²	140	64%	0.636	74%	0.744	S	S	*	*			trans	63.4	101.4	143.9	-62.6	-17.2	0	0	0	124
130	N	31	Very low	32.1	Very low	160 Å²	160	138 Å²	138	86%	0.856	74%	0.743	S	S	*	*				44.4	132.3	111	-56.5	-5.1	0	0	0	122.3
131	G	31.2	Very low	32	Very low	81 Å²	81	138.1 Å²	138.1	84%	0.835	75%	0.748	S	S	*	*			trans	-168.9	47	175.2	0	0	0	0	0	117.7
132	I	31.9	Very low	31.7	Very low	159 Å²	159	142 Å²	142	82%	0.815	76%	0.756	S	S	*	*			trans	-32.9	139.7	176.9	-27.1	175.6	0	0	0	116.9
133	S	27.7	Very low	31.5	Very low	120 Å²	120	141.2 Å²	141.2	84%	0.839	76%	0.761	S	S	*	*				168.9	155.5	123.5	-73.6	0	0	0	0	115.6
134	E	28.6	Very low	31.3	Very low	188 Å²	188	138.9 Å²	138.9	88%	0.879	76%	0.755	S	S	*	*			trans	-81.2	161	-173.3	-51.4	163	113.9	0	0	114.7
135	M	30.7	Very low	31.1	Very low	196 Å²	196	144 Å²	144	97%	0.966	77%	0.774	S	S	*	*			trans	-161.6	157	142.9	-113	-179.5	-155	0	0	113.6
136	T	30.3	Very low	30.7	Very low	134 Å²	134	142.1 Å²	142.1	82%	0.822	78%	0.782	S	S	*	*			trans	-109.7	131.9	-166.7	56.4	0	0	0	0	115.5
137	T	32.5	Very low	30.7	Very low	135 Å²	135	141 Å²	141	83%	0.828	78%	0.782	S	S	*	*			trans	-157.3	119.4	151.3	22.7	0	0	0	0	108
138	K	34.9	Very low	30.5	Very low	190 Å²	190	141.4 Å²	141.4	83%	0.826	79%	0.788	S	S	*	*				56.7	113.3	74.7	-76	-170.6	176.5	178.7	0	115.7
139	Q	31.1	Very low	30.4	Very low	170 Å²	170	141.5 Å²	141.5	79%	0.794	79%	0.791	S	S	*	*			trans	70	94.8	142.2	-79.3	179.3	-35.1	0	0	120.9
140	T	26.6	Very low	30.2	Very low	120 Å²	120	143.1 Å²	143.1	74%	0.736	80%	0.795	S	S	*	*				58	127.2	116.1	51	0	0	0	0	122.3
141	V	26.1	Very low	30.1	Very low	119 Å²	119	141.6 Å²	141.6	72%	0.721	79%	0.787	S	S	*	*			trans	96.2	124.1	136.6	166.4	0	0	0	0	118.8
142	K	26.2	Very low	30	Very low	194 Å²	194	144.4 Å²	144.4	84%	0.843	78%	0.781	S	S	*	*			trans	66	90.3	165.8	-71	161.9	-172.3	179.8	0	118
143	S	31.9	Very low	30.1	Very low	115 Å²	115	144 Å²	144	80%	0.804	78%	0.779	S	S	*	*				-98.3	126.9	121.9	48	0	0	0	0	107.6
144	S	29.7	Very low	30.2	Very low	87 Å²	87	143.1 Å²	143.1	61%	0.608	77%	0.773	S	S	*	*			cis	89.7	122.7	35.1	79	0	0	0	0	113.6
145	E	32.1	Very low	30.4	Very low	169 Å²	169	140.1 Å²	140.1	79%	0.79	77%	0.769	S	S	*	*			trans	45.2	99.7	160.4	-69.1	113.1	-114.3	0	0	120	P147	E145-P147 WeakPolarHBondContact O-CD 3.1Å
146	S	27.1	Very low	30.5	Very low	124 Å²	124	139.5 Å²	139.5	87%	0.867	76%	0.764	S	S	*	*			trans	-70.1	130.8	143.8	54.5	0	0	0	0	111.5
147	P	31.7	Very low	30.4	Very low	100 Å²	100	142 Å²	142	65%	0.649	76%	0.764	S	S	*	*			trans	-111.8	154.7	162.1	3.1	20.8	0	0	0	112	E145	E145-P147 WeakPolarHBondContact O-CD 3.1Å
148	I	29.7	Very low	30.4	Very low	153 Å²	153	141.5 Å²	141.5	79%	0.785	76%	0.763	S	S	*	*				49	118	128.1	-57.7	170.8	0	0	0	116.1
149	I	33	Very low	30	Very low	139 Å²	139	138 Å²	138	71%	0.713	76%	0.758	S	S	*	*			cis	-157.6	132.3	17.1	-107.9	163.6	0	0	0	106.1
150	Q	30.1	Very low	29.8	Very low	153 Å²	153	136.5 Å²	136.5	72%	0.715	76%	0.755	S	S	*	*				60	122.9	84.1	-105.8	-176.6	-5.1	0	0	117.3
151	N	29.7	Very low	29.9	Very low	128 Å²	128	137.1 Å²	137.1	68%	0.684	75%	0.75	S	S	*	*			trans	70.2	160.5	153.5	-56.5	-14	0	0	0	120
152	I	28.8	Very low	30.1	Very low	140 Å²	140	140 Å²	140	72%	0.718	75%	0.753	S	S	*	*			cis	-161	172	-29.8	-89.8	157.8	0	0	0	103.3
153	I	32.7	Very low	30.2	Very low	150 Å²	150	135.1 Å²	135.1	77%	0.769	74%	0.743	S	S	*	*			trans	116.9	117.3	156	-57.4	-177	0	0	0	114.9
154	S	31.3	Very low	30	Very low	102 Å²	102	136.4 Å²	136.4	71%	0.713	74%	0.74	S	S	*	*			trans	-80.8	162.3	173	-59.9	0	0	0	0	112.2
155	P	32.3	Very low	30.1	Very low	124 Å²	124	138 Å²	138	81%	0.805	75%	0.747	S	S	*	*			trans	-66.7	149.6	-173.3	27.6	-36.8	0	0	0	114
156	Q	32.6	Very low	30	Very low	183 Å²	183	134 Å²	134	86%	0.855	74%	0.737	S	S	*	*			trans	-105.8	142.5	171.5	-68	-172.6	-7.4	0	0	111.5
157	F	27.8	Very low	30	Very low	188 Å²	188	134.3 Å²	134.3	83%	0.825	73%	0.728	S	S	*	*			trans	-85.7	154.2	174.5	-71	-102.5	0	0	0	111.7
158	P	32.5	Very low	30	Very low	124 Å²	124	137.5 Å²	137.5	81%	0.805	73%	0.734	S	S	*	*			trans	-102.6	111.7	152.5	33.8	-24.3	0	0	0	110.9
159	T	26.5	Very low	29.9	Very low	116 Å²	116	134.1 Å²	134.1	71%	0.712	72%	0.724	S	S	*	*			trans	-139	160.9	160.9	51	0	0	0	0	108.7
160	N	26.7	Very low	29.9	Very low	139 Å²	139	134.9 Å²	134.9	74%	0.743	73%	0.725	S	S	*	*			trans	76.8	147.1	-158	-62.9	21.7	0	0	0	111.7
161	E	29.8	Very low	29.9	Very low	133 Å²	133	133 Å²	133	62%	0.621	72%	0.716	S	S	*	*			cis	-155.1	155.4	11.5	-138.9	157.3	-116	0	0	112.3
162	F	30.3	Very low	29.9	Very low	178 Å²	178	135.2 Å²	135.2	78%	0.781	72%	0.716	S	S	*	*			trans	58.8	167.1	161.4	-66.7	-52.4	0	0	0	117.7
163	S	27.6	Very low	29.9	Very low	92 Å²	92	133.8 Å²	133.8	64%	0.643	71%	0.71	S	S	*	*				-133.8	-169.4	-57	-51.4	0	0	0	0	106.5
164	L	29.1	Very low	29.8	Very low	142 Å²	142	132.7 Å²	132.7	74%	0.743	70%	0.704	S	S	*	*			cis	-172.9	157.6	16	-129.9	161.8	0	0	0	104.2
165	T	29.9	Very low	29.8	Very low	121 Å²	121	133.2 Å²	133.2	74%	0.742	70%	0.699	S	S	*	*			trans	61.8	146.5	162.6	59.2	0	0	0	0	118.7
166	S	30.3	Very low	29.7	Very low	85 Å²	85	133.4 Å²	133.4	59%	0.594	69%	0.693	S	S	*	*			cis	-167.2	155.5	-11.4	-104.6	0	0	0	0	110.5
167	I	28.2	Very low	29.5	Very low	130 Å²	130	128.9 Å²	128.9	67%	0.667	68%	0.681	S	S	*	*				40.7	126.9	126.7	-50.7	169.4	0	0	0	116.5
168	E	30.7	Very low	29.7	Very low	167 Å²	167	127.8 Å²	127.8	78%	0.78	68%	0.678	S	S	*	*			cis	-148	133	28.3	-128.4	130.4	-147.7	0	0	106.6
169	S	29.1	Very low	29.7	Very low	83 Å²	83	128.6 Å²	128.6	58%	0.58	67%	0.674	S	S	*	*				89.1	136.3	72	-73.3	0	0	0	0	115.7
170	Q	32.9	Very low	29.8	Very low	155 Å²	155	128.1 Å²	128.1	72%	0.724	68%	0.676	S	S	*	*				78.9	140.1	128.3	-72.3	171.3	12.1	0	0	119.2
171	Q	30	Very low	30.1	Very low	112 Å²	112	126.7 Å²	126.7	52%	0.523	68%	0.677	S	S	.	*			cis	-169.7	176.9	-8.8	-138.4	162.8	-14.8	0	0	111.2
172	Y	28.2	Very low	30.1	Very low	176 Å²	176	126.8 Å²	126.8	69%	0.69	68%	0.681	S	S	*	*			trans	71.8	147.5	148.1	-68.2	-40	0	0	0	117.7
173	D	30.4	Very low	30.2	Very low	110 Å²	110	125.4 Å²	125.4	59%	0.588	68%	0.682	S	S	*	*			cis	-159.8	163.2	4.1	-130.9	-18	0	0	0	116.2
174	I	29.7	Very low	30.3	Very low	126 Å²	126	129.9 Å²	129.9	65%	0.646	68%	0.684	S	S	*	*			trans	58.3	135.4	141	-78.1	164.3	0	0	0	119.7
175	N	31.5	Very low	30.5	Very low	113 Å²	113	129.9 Å²	129.9	60%	0.604	68%	0.682	S	S	*	*			cis	-168.4	155.2	-1.3	-118.9	-12.4	0	0	0	113.4
176	N	29.7	Very low	30.5	Very low	128 Å²	128	130.2 Å²	130.2	68%	0.684	68%	0.679	S	S	*	*			trans	59.1	152.9	141.9	-64	-20.5	0	0	0	121.3
177	C	29.7	Very low	30.6	Very low	89 Å²	89	130.2 Å²	130.2	60%	0.601	68%	0.68	S	S	*	*			cis	-143.8	142.7	2.9	-119.2	0	0	0	0	109.5
178	Q	31.4	Very low	30.9	Very low	164 Å²	164	131.6 Å²	131.6	77%	0.766	68%	0.683	S	S	*	*				56.1	137.5	101.4	-58.3	-175.9	-3.4	0	0	115.3
179	I	31.8	Very low	30.8	Very low	141 Å²	141	128.9 Å²	128.9	72%	0.723	68%	0.678	S	S	*	*			cis	-146	133.1	24	-58.4	170.5	0	0	0	107.1
180	S	28.3	Very low	30.9	Very low	106 Å²	106	133.9 Å²	133.9	74%	0.741	69%	0.689	S	S	*	*				52.8	147.9	89	-21.6	0	0	0	0	115.9
181	S	32.9	Very low	30.7	Very low	110 Å²	110	131.8 Å²	131.8	77%	0.769	69%	0.687	S	S	*	*			cis	-155.3	162.6	19.9	-71.1	0	0	0	0	114.4
182	L	30.9	Very low	30.7	Very low	134 Å²	134	131.6 Å²	131.6	70%	0.702	69%	0.694	S	S	*	*			trans	-47.4	158.4	170.1	-74.5	62.4	0	0	0	116.4
183	N	31.6	Very low	30.7	Very low	149 Å²	149	129.2 Å²	129.2	80%	0.797	70%	0.698	S	S	*	*				173.6	163.1	109.2	-86.8	-47.6	0	0	0	112.4
184	R	29.3	Very low	30.9	Very low	186 Å²	186	129.9 Å²	129.9	70%	0.702	71%	0.706	S	S	*	*			cis	180	158.8	-41.7	-144	-176.2	-173	-155.9	3.8	107.9
185	M	33.1	Very low	31.1	Very low	142 Å²	142	129.6 Å²	129.6	70%	0.7	71%	0.706	S	S	*	*			trans	70.1	153.3	160.8	-62.8	-179.7	-61	0	0	115.9
186	N	31.8	Very low	31.4	Very low	128 Å²	128	131.3 Å²	131.3	68%	0.684	71%	0.711	S	S	*	*			cis	-167	148.7	-9.4	-114.6	-14.4	0	0	0	111.5
187	S	30.5	Very low	31.7	Very low	86 Å²	86	129.5 Å²	129.5	60%	0.601	71%	0.708	S	S	*	*			trans	64.1	163.2	137.7	-67.3	0	0	0	0	119.5
188	Q	34.8	Very low	32	Very low	159 Å²	159	130.4 Å²	130.4	74%	0.743	71%	0.707	S	S	*	*			cis	-156.9	136.7	-7.8	-119.6	157.5	52.4	0	0	111.6
189	T	28.5	Very low	32.3	Very low	110 Å²	110	131.1 Å²	131.1	68%	0.675	70%	0.702	S	S	*	*			trans	24.8	152.4	137.5	67.1	0	0	0	0	123.8
190	K	32.5	Very low	32.6	Very low	187 Å²	187	131.2 Å²	131.2	81%	0.813	70%	0.7	S	S	*	*			trans	94.9	147.8	156.1	-65.3	-179.2	-178.7	176.3	0	117.7
191	T	28.1	Very low	33	Very low	111 Å²	111	133 Å²	133	68%	0.681	70%	0.697	S	S	*	*			cis	177.1	171.2	-41.2	35.5	0	0	0	0	108.5
192	T	29.6	Very low	32.8	Very low	109 Å²	109	133.8 Å²	133.8	67%	0.669	69%	0.692	S	S	*	*			trans	70.1	110.2	146.5	38.1	0	0	0	0	121.3
193	T	29.6	Very low	32.8	Very low	126 Å²	126	135.3 Å²	135.3	77%	0.773	70%	0.697	S	S	*	*			trans	64	161.4	133.9	57.5	0	0	0	0	118.9
194	T	33.4	Very low	32.7	Very low	123 Å²	123	131.9 Å²	131.9	76%	0.755	69%	0.685	S	S	*	*			cis	-160.5	172.8	13.8	-11.4	0	0	0	0	107.1
195	D	34.9	Very low	32.6	Very low	121 Å²	121	128 Å²	128	65%	0.647	68%	0.683	S	S	*	*			cis	-163.2	-177.5	0.4	-157.7	-0.3	0	0	0	110.1
196	Q	37.9	Very low	32.4	Very low	149 Å²	149	129.7 Å²	129.7	70%	0.696	69%	0.689	S	S	*	*			trans	67.3	118.9	153.2	-72.9	151.4	51.2	0	0	118.4
197	S	34.9	Very low	32.2	Very low	90 Å²	90	131.5 Å²	131.5	63%	0.629	69%	0.693	S	S	*	*				79.8	145	62.4	89.9	0	0	0	0	112.5
198	D	36.8	Very low	32.2	Very low	107 Å²	107	134 Å²	134	57%	0.572	70%	0.699	S	S	*	*			cis	-160.3	174.8	25.5	-89.2	-59.4	0	0	0	109.1
199	R	37.1	Very low	31.9	Very low	179 Å²	179	135.9 Å²	135.9	68%	0.675	71%	0.705	S	S	*	*			cis	-168.1	149.9	-2.6	-117	165.2	-133.4	169.1	18.1	111.5
200	Q	38.1	Very low	32.4	Very low	144 Å²	144	135.4 Å²	135.4	67%	0.673	70%	0.704	S	S	*	*			trans	58.4	155.1	137	-68.1	165.1	-18	0	0	121
201	Q	35.6	Very low	32.2	Very low	144 Å²	144	136 Å²	136	67%	0.673	71%	0.709	S	S	*	*			cis	-158.9	144.1	-6.4	-123.9	156.8	0.4	0	0	113.9
202	N	30.3	Very low	32.4	Very low	126 Å²	126	134.3 Å²	134.3	67%	0.674	71%	0.714	S	S	*	*			trans	31.9	133.4	135.9	-63.5	16.1	0	0	0	124.4
203	M	30.4	Very low	32.5	Very low	165 Å²	165	137.8 Å²	137.8	81%	0.813	72%	0.723	S	S	*	*			trans	71.1	154.6	130.2	-70.5	178.3	67.8	0	0	120.4
204	S	30	Very low	32.7	Very low	77 Å²	77	137.8 Å²	137.8	54%	0.538	73%	0.725	S	S	.	*			cis	-168.9	171.4	-18.7	54.7	0	0	0	0	111.1
205	T	26	Very low	32.4	Very low	106 Å²	106	137.4 Å²	137.4	65%	0.65	73%	0.727	S	S	*	*			trans	62.3	142.7	149.7	40.9	0	0	0	0	120.9
206	E	30	Very low	32.2	Very low	177 Å²	177	136.1 Å²	136.1	83%	0.827	73%	0.733	S	S	*	*			trans	65.1	155.3	156.7	-72.4	156.2	-154	0	0	116.7
207	E	27.3	Very low	31.6	Very low	165 Å²	165	138.4 Å²	138.4	77%	0.771	74%	0.744	S	S	*	*			cis	-155.6	175.8	-33	-142.3	-176	-161.2	0	0	107.4
208	L	30.7	Very low	31.1	Very low	139 Å²	139	138.9 Å²	138.9	73%	0.728	75%	0.747	S	S	*	*			trans	57.9	114.9	166.3	-88.3	66.1	0	0	0	120.7
209	F	28.8	Very low	30.5	Very low	199 Å²	199	138.2 Å²	138.2	87%	0.873	75%	0.751	S	S	*	*				14.7	160.5	108.8	-81.1	-63.8	0	0	0	121.3
210	P	37.9	Very low	29.9	Very low	100 Å²	100	139.3 Å²	139.3	65%	0.649	76%	0.756	S	S	*	*			cis	-145	-173.3	-7.2	39.5	-18.2	0	0	0	117.2
211	E	28.3	Very low	29.3	Very low	198 Å²	198	140.5 Å²	140.5	93%	0.925	76%	0.762	S	S	*	*			trans	66.1	148.7	153.8	-52.7	-137.9	145.8	0	0	121.8
212	G	33.2	Very low	28.8	Very low	76 Å²	76	141.6 Å²	141.6	78%	0.784	77%	0.767	S	S	*	*			trans	165.3	27.9	179.5	0	0	0	0	0	118.7
213	H	32.2	Very low	28.9	Very low	183 Å²	183	144.6 Å²	144.6	85%	0.847	78%	0.777	S	S	*	*			trans	-65.2	150.7	173	-88.2	-63.6	0	0	0	111.9
214	P	33.3	Very low	28.7	Very low	126 Å²	126	144.2 Å²	144.2	82%	0.818	77%	0.773	S	S	*	*				-152.6	-179.6	78.2	41.7	-21.8	0	0	0	117.7
215	S	27.3	Very low	28.5	Very low	115 Å²	115	150.7 Å²	150.7	80%	0.804	79%	0.792	S	S	*	*			trans	-103.3	144.1	179.9	-43.2	0	0	0	0	113.1
216	A	30.2	Very low	28.5	Very low	93 Å²	93	151.5 Å²	151.5	77%	0.769	79%	0.791	S	S	*	*			trans	-160.5	148.3	155.3	0	0	0	0	0	108.4
217	Q	25.4	Very low	28.3	Very low	197 Å²	197	150.3 Å²	150.3	92%	0.921	79%	0.79	S	S	*	*			cis	81.1	55.9	28.6	-68.4	-160.6	-37.1	0	0	117.9
218	S	24.4	Very low	28.3	Very low	100 Å²	100	148.6 Å²	148.6	70%	0.699	79%	0.785	S	S	*	*			trans	-165.1	136.5	147.9	45.6	0	0	0	0	107.2
219	S	23.1	Very low	28.1	Very low	93 Å²	93	142.6 Å²	142.6	65%	0.65	75%	0.754	S	S	*	*			cis	69	131.5	48.5	79.6	0	0	0	0	113.6
220	Y	25.2	Very low	28	Very low	202 Å²	202	138.3 Å²	138.3	79%	0.792	75%	0.747	S	S	*	*			trans	66.4	143.6	-167.9	-52.3	-85.8	0	0	0	113.9
221	Q	26.5	Very low	27.6	Very low	169 Å²	169	137.4 Å²	137.4	79%	0.79	74%	0.742	S	S	*	*			cis	-147.5	169.8	-5.3	-142.9	156.6	-9.7	0	0	111.1
222	E	24.7	Very low	27.5	Very low	167 Å²	167	132 Å²	132	78%	0.78	73%	0.726	S	S	*	*			trans	-72.5	133	178.2	-58.7	163.9	106.8	0	0	111.9
223	E	31.3	Very low	27.2	Very low	189 Å²	189	139.3 Å²	139.3	88%	0.883	73%	0.73	S	S	*	*			trans	-124.9	136.1	157.9	-72.7	-155.7	139.1	0	0	110.9
224	Q	26.3	Very low	26.9	Very low	157 Å²	157	140.8 Å²	140.8	73%	0.734	74%	0.735	S	S	*	*			trans	-102.8	108.2	-161.1	-63.8	171.2	-7.1	0	0	111.4	I226	Q224-I226 PolarHBondContact O-N 2.7Å; Q224-I226 VanDerWaalsContact O-N 3.12Å
225	F	27.3	Very low	26.5	Very low	214 Å²	214	141.7 Å²	141.7	94%	0.939	73%	0.733	S	S	*	*			trans	-81.6	92.5	162.7	-90.2	-81	0	0	0	110.8	N227	F225-N227 PolarHBondContact O-N 2.89Å
226	I	25.5	Very low	26.5	Very low	123 Å²	123	141.5 Å²	141.5	63%	0.631	73%	0.726	S	S	*	*			trans	-50.3	126.8	-178.8	-60.8	154.8	0	0	0	111.2	Q224 I228	Q224-I226 PolarHBondContact O-N 2.7Å; Q224-I226 VanDerWaalsContact O-N 3.12Å; I226-I228 HydrophobicContact CG2-CD1 4.18Å; I226-I228 HydrophobicContact CG2-CG1 3.51Å
227	N	25.4	Very low	26.4	Very low	152 Å²	152	142.3 Å²	142.3	81%	0.813	73%	0.727	S	S	*	*			trans	-116.7	147.5	145.7	-129.6	-38.8	0	0	0	108.5	F225	F225-N227 PolarHBondContact O-N 2.89Å
228	I	27.8	Very low	26.5	Very low	129 Å²	129	135.8 Å²	135.8	66%	0.662	71%	0.712	S	S	*	*			trans	-103.5	139.8	-162.9	-64.1	-176.1	0	0	0	112.3	I226	I226-I228 HydrophobicContact CG2-CD1 4.18Å; I226-I228 HydrophobicContact CG2-CG1 3.51Å
229	D	26.3	Very low	26.9	Very low	13 Å²	13	138 Å²	138	7%	0.07	72%	0.721	C	S	.	*			trans	-111.2	122.6	-166.9	-81.3	21.4	0	0	0	112.1	E683 S684 T685	D229-E683 VanDerWaalsContact OD1-CB 3.3Å; D229-E683 WeakPolarHBondContact OD1-CB 3.41Å; D229-S684 PolarHBondContact OD2-N 2.94Å; D229-T685 WeakPolarHBondContact CB-O 3.38Å; D229-T685 VanDerWaalsContact CG-N 3.33Å; D229-T685 WeakPolarHBondContact OD2-CA 3.5Å; D229-T685 WeakPolarHBondContact OD2-CB 3.39Å; D229-T685 PolarHBondContact OD2-N 2.97Å; D229-T685 PolarHBondContact OD2-OG1 3.2Å
230	C	26.9	Very low	27.2	Very low	108 Å²	108	140 Å²	140	73%	0.73	72%	0.724	S	S	*	*			trans	-164.6	133.2	160	-120.1	0	0	0	0	110.5	S684	C230-S684 VanDerWaalsContact C-CB 3.48Å
231	C	29.2	Very low	27.4	Very low	81 Å²	81	136.2 Å²	136.2	55%	0.547	72%	0.718	S	S	.	*			cis	-162.5	162.5	-14.8	-154.6	0	0	0	0	110.8	S684	C231-S684 PolarHBondContact N-OG 3.2Å
232	S	26.6	Very low	27.6	Very low	85 Å²	85	136.6 Å²	136.6	59%	0.594	72%	0.717	S	S	*	*			trans	-81.5	147.6	173.9	65.2	0	0	0	0	113.8
233	R	25.6	Very low	28.1	Very low	229 Å²	229	137.1 Å²	137.1	86%	0.864	72%	0.719	S	S	*	*			trans	42	117.3	150.4	-66.3	178.1	175.3	144.1	-2.5	118.1
234	F	26.7	Very low	28	Very low	214 Å²	214	133.8 Å²	133.8	94%	0.939	71%	0.712	S	S	*	*			trans	-147.7	131.8	139.2	-105	-72.5	0	0	0	111.9
235	D	24.1	Very low	28.1	Very low	145 Å²	145	131.6 Å²	131.6	78%	0.775	71%	0.714	S	S	*	*			trans	-91.1	145.9	173.8	-98.4	-58.7	0	0	0	111.7
236	V	28.4	Very low	28.3	Very low	111 Å²	111	126 Å²	126	67%	0.673	71%	0.707	S	S	*	*			trans	28.9	104.9	150.4	-168.7	0	0	0	0	118.1
237	S	27.7	Very low	28.6	Very low	111 Å²	111	128 Å²	128	78%	0.776	72%	0.717	S	S	*	*				168.6	136.8	110.8	47.6	0	0	0	0	115.1
238	G	27.8	Very low	29	Very low	60 Å²	60	126.4 Å²	126.4	62%	0.619	71%	0.713	S	S	*	*			trans	64	117.9	144.6	0	0	0	0	0	120.3
239	V	32.8	Very low	29.3	Very low	145 Å²	145	126.7 Å²	126.7	88%	0.879	72%	0.716	S	S	*	*				177.6	147.3	101.9	154.7	0	0	0	0	108.1
240	D	29.3	Very low	29.7	Very low	135 Å²	135	130.2 Å²	130.2	72%	0.722	74%	0.738	S	S	*	*			trans	-89.2	171	-168.3	-49.9	-82.3	0	0	0	115.2
241	N	29.9	Very low	30.1	Very low	123 Å²	123	132.1 Å²	132.1	66%	0.658	75%	0.746	S	S	*	*			trans	79.6	118.8	147.8	-77.3	-64.7	0	0	0	121.3
242	K	29.3	Very low	30.4	Very low	177 Å²	177	135.1 Å²	135.1	77%	0.77	75%	0.752	S	S	*	*			trans	65.5	112.3	132.4	-60.1	167.7	-178	171.7	0	119.5
243	Q	35.1	Very low	30.7	Very low	178 Å²	178	136.1 Å²	136.1	83%	0.832	75%	0.754	S	S	*	*				169.1	105.2	121.4	-92.8	166.8	10.4	0	0	109.5
244	T	29.1	Very low	31.1	Very low	119 Å²	119	133.7 Å²	133.7	73%	0.73	76%	0.755	S	S	*	*				74	100.9	93.8	57	0	0	0	0	117
245	S	28.9	Very low	31.4	Very low	112 Å²	112	131.2 Å²	131.2	78%	0.783	75%	0.751	S	S	*	*				69.8	120.5	121.1	-50	0	0	0	0	123.3
246	A	31.8	Very low	31.8	Very low	95 Å²	95	127.2 Å²	127.2	79%	0.785	75%	0.745	S	S	*	*				79.5	178.9	129.9	0	0	0	0	0	120.3
247	I	31.5	Very low	31.9	Very low	165 Å²	165	126.6 Å²	126.6	85%	0.846	75%	0.752	S	S	*	*			trans	79.8	116.3	-172	-55.9	172.4	0	0	0	111.3
248	V	33.7	Very low	32.2	Very low	119 Å²	119	129 Å²	129	72%	0.721	75%	0.751	S	S	*	*			cis	-159.7	166	1.7	97.7	0	0	0	0	107
249	N	35.4	Very low	32.3	Very low	136 Å²	136	131.8 Å²	131.8	73%	0.727	75%	0.747	S	S	*	*			cis	-140.8	-135.2	28.7	-152.2	6.9	0	0	0	115.7
250	T	33.9	Very low	32.1	Very low	87 Å²	87	133.8 Å²	133.8	53%	0.534	74%	0.74	S	S	.	*			trans	-167	134.6	-136.5	-58.2	0	0	0	0	112.4
251	V	35.8	Very low	31.9	Very low	147 Å²	147	131.7 Å²	131.7	89%	0.891	73%	0.733	S	S	*	*			trans	179.1	142.4	138.2	165.3	0	0	0	0	107.6
252	H	34.2	Very low	31.8	Very low	144 Å²	144	133.6 Å²	133.6	67%	0.667	74%	0.737	S	S	*	*			cis	-166.5	124.9	-46.2	-145.9	-82.4	0	0	0	109.1
253	T	33.9	Very low	31.8	Very low	106 Å²	106	130 Å²	130	65%	0.65	73%	0.731	S	S	*	*			trans	41.7	131.8	153.9	56.3	0	0	0	0	121.2
254	M	34.3	Very low	31.4	Very low	178 Å²	178	128.5 Å²	128.5	88%	0.877	73%	0.728	S	S	*	*				-175.3	176	64.2	-75.1	-170.5	-168.8	0	0	110.8
255	N	32.2	Very low	31.4	Very low	162 Å²	162	126.6 Å²	126.6	87%	0.866	72%	0.72	S	S	*	*			cis	-178.7	149.5	-44	-155.2	10.8	0	0	0	109.1
256	G	32.8	Very low	31.5	Very low	62 Å²	62	126.7 Å²	126.7	64%	0.639	71%	0.712	S	S	*	*			trans	98.5	127.8	175.5	0	0	0	0	0	114.9
257	A	31.1	Very low	31.5	Very low	98 Å²	98	128.7 Å²	128.7	81%	0.81	71%	0.709	S	S	*	*			cis	72.2	143.9	35.6	0	0	0	0	0	112.9
258	Q	33.6	Very low	31.4	Very low	162 Å²	162	128 Å²	128	76%	0.757	70%	0.7	S	S	*	*			cis	-148.2	171	19.4	-62.7	174.4	-96	0	0	108.9
259	Q	29.8	Very low	31.1	Very low	117 Å²	117	128.5 Å²	128.5	55%	0.547	70%	0.698	S	S	.	*			cis	-173.6	-177.2	-17.1	-102.8	173.2	-121.9	0	0	108.3
260	Y	28.3	Very low	30.9	Very low	187 Å²	187	127.8 Å²	127.8	73%	0.733	69%	0.694	S	S	*	*			trans	77.5	149	157.1	-62	-64.8	0	0	0	119.3
261	T	25.9	Very low	31	Very low	92 Å²	92	131.2 Å²	131.2	56%	0.564	70%	0.701	S	S	*	*			cis	-176.7	158	-41	21	0	0	0	0	108.9
262	E	27.5	Very low	30.8	Very low	162 Å²	162	131.3 Å²	131.3	76%	0.757	69%	0.692	S	S	*	*			trans	65.4	151.7	149.6	-69.4	157.6	-142.5	0	0	117
263	T	29.5	Very low	30.7	Very low	103 Å²	103	130.8 Å²	130.8	63%	0.632	69%	0.694	S	S	*	*			cis	-163.1	160.8	-13.4	22	0	0	0	0	108.3
264	N	26.5	Very low	30.4	Very low	145 Å²	145	133.5 Å²	133.5	78%	0.775	70%	0.699	S	S	*	*			trans	50.1	144.8	137.5	-63.2	-3.3	0	0	0	121.6
265	S	28.9	Very low	30.1	Very low	79 Å²	79	129.8 Å²	129.8	55%	0.552	69%	0.691	S	S	*	*			cis	-172.7	-173.9	-8.6	49.2	0	0	0	0	109.5
266	D	31	Very low	29.7	Very low	115 Å²	115	128.6 Å²	128.6	62%	0.615	69%	0.693	S	S	*	*			trans	53.8	104.9	149	-50	-38.7	0	0	0	118.4
267	N	31.5	Very low	29.6	Very low	137 Å²	137	129.3 Å²	129.3	73%	0.733	70%	0.7	S	S	*	*				163.8	141	100	-85.7	-63.7	0	0	0	111.1
268	F	29.5	Very low	29.3	Very low	150 Å²	150	133.4 Å²	133.4	66%	0.658	71%	0.708	S	S	*	*			cis	-169.4	132.4	-18.1	-141.8	-145.7	0	0	0	108.3
269	L	28.4	Very low	29.1	Very low	129 Å²	129	131 Å²	131	68%	0.675	71%	0.709	S	S	*	*			trans	61	159.3	153.8	-52.3	-179.7	0	0	0	116.9
270	L	31	Very low	29	Very low	122 Å²	122	132.8 Å²	132.8	64%	0.639	72%	0.722	S	S	*	*			cis	-165.2	149.1	9.1	-149.5	57.7	0	0	0	106
271	K	36	Very low	29.1	Very low	158 Å²	158	135 Å²	135	69%	0.687	73%	0.731	S	S	*	*			cis	-149.5	142.3	-3.5	-123.8	163.8	-173.9	159.2	0	105.8
272	H	30.9	Very low	29.2	Very low	149 Å²	149	140.4 Å²	140.4	69%	0.69	75%	0.747	S	S	*	*				49.4	137.9	104.6	-71.8	-97.3	0	0	0	116.5
273	N	32	Very low	29.4	Very low	133 Å²	133	136.6 Å²	136.6	71%	0.711	75%	0.751	S	S	*	*			cis	-153.4	142	27.7	-105.7	-23.8	0	0	0	108.5
274	H	28.6	Very low	29.4	Very low	163 Å²	163	139 Å²	139	76%	0.755	76%	0.76	S	S	*	*			cis	55.6	120.1	46.1	-87.1	-71.5	0	0	0	113.3
275	S	26.9	Very low	29.5	Very low	101 Å²	101	138.1 Å²	138.1	71%	0.706	75%	0.754	S	S	*	*			cis	-165.9	-178.7	28.7	-86.8	0	0	0	0	112.3
276	C	25	Very low	29.6	Very low	136 Å²	136	139.9 Å²	139.9	92%	0.919	76%	0.758	S	S	*	*			trans	-47	149.3	174.3	-50.4	0	0	0	0	116
277	G	29.5	Very low	29.6	Very low	77 Å²	77	142 Å²	142	79%	0.794	76%	0.764	S	S	*	*			trans	-152.8	109.8	164.1	0	0	0	0	0	111.7
278	L	25.5	Very low	29.5	Very low	184 Å²	184	145.8 Å²	145.8	96%	0.963	77%	0.77	S	S	*	*			trans	-84.8	123.5	172.1	-83.6	159.3	0	0	0	110
279	S	29.7	Very low	29.8	Very low	112 Å²	112	144.4 Å²	144.4	78%	0.783	78%	0.775	S	S	*	*			trans	-162.3	121.1	159.7	58.1	0	0	0	0	111.5
280	D	26	Very low	29.6	Very low	154 Å²	154	142.6 Å²	142.6	82%	0.824	77%	0.773	S	S	*	*			trans	-60.6	142.8	161.8	-50.6	-96.2	0	0	0	110.6
281	Y	30.7	Very low	29.7	Very low	233 Å²	233	142.5 Å²	142.5	91%	0.914	78%	0.779	S	S	*	*			trans	-157.5	150.1	139.8	-118.4	-78.1	0	0	0	112.5
282	K	29.7	Very low	29.5	Very low	207 Å²	207	143.1 Å²	143.1	90%	0.9	79%	0.785	S	S	*	*			trans	-78.7	134.6	-177.1	-60.5	165.8	-179	172.9	0	110.9
283	G	31.1	Very low	29.5	Very low	82 Å²	82	141.4 Å²	141.4	85%	0.845	79%	0.787	S	S	*	*			trans	-142.9	105.8	176	0	0	0	0	0	111.3
284	N	29.1	Very low	29.5	Very low	152 Å²	152	144.4 Å²	144.4	81%	0.813	80%	0.797	S	S	*	*			trans	-94.6	157.5	-160.8	-137	1.9	0	0	0	113.8
285	L	27.5	Very low	29.4	Very low	127 Å²	127	144 Å²	144	67%	0.665	80%	0.799	S	S	*	*			trans	80.4	145.1	149	-104.8	69.7	0	0	0	122.8
286	N	31.6	Very low	29.4	Very low	117 Å²	117	145.9 Å²	145.9	63%	0.626	80%	0.802	S	S	*	*			trans	75.5	145.1	150.9	-62.2	-5.3	0	0	0	120.9
287	Q	30.9	Very low	29.4	Very low	160 Å²	160	146 Å²	146	75%	0.748	79%	0.791	S	S	*	*			cis	-171.3	151.4	-36.8	-118.2	164.1	3.5	0	0	109.7
288	Y	30.7	Very low	29.3	Very low	216 Å²	216	147.8 Å²	147.8	85%	0.847	79%	0.792	S	S	*	*			trans	-20.6	161.6	153.2	-72	-75	0	0	0	118.6
289	P	35.9	Very low	29.6	Very low	120 Å²	120	143 Å²	143	78%	0.779	78%	0.779	S	S	*	*			cis	-151.1	179.9	43.3	43.3	-21.8	0	0	0	120.6
290	C	24	Very low	29.7	Very low	92 Å²	92	143.4 Å²	143.4	62%	0.622	78%	0.782	S	S	*	*			trans	-75.4	148.4	166.3	175	0	0	0	0	111.9	Q292	C290-Q292 PolarHBondContact O-N 2.92Å
291	P	32.6	Very low	29.9	Very low	120 Å²	120	146 Å²	146	78%	0.779	78%	0.781	S	S	*	*			trans	-77.5	109.8	168.9	31	-33	0	0	0	112.1
292	Q	30.9	Very low	30.1	Very low	170 Å²	170	140.6 Å²	140.6	79%	0.794	78%	0.775	S	S	*	*			trans	-93.7	152.5	162.2	-75.5	-82.9	-94.2	0	0	110.3	C290	C290-Q292 PolarHBondContact O-N 2.92Å
293	P	31.9	Very low	30	Very low	114 Å²	114	137.2 Å²	137.2	74%	0.74	77%	0.765	S	S	*	*			trans	-98.5	120.2	179.9	35.1	-29.2	0	0	0	112.9
294	E	31.2	Very low	30	Very low	195 Å²	195	139.8 Å²	139.8	91%	0.911	77%	0.765	S	S	*	*			trans	-138.4	161.8	164.2	-72.6	-158.5	148.9	0	0	111.8
295	L	26.5	Very low	29.9	Very low	154 Å²	154	137.3 Å²	137.3	81%	0.806	76%	0.759	S	S	*	*			trans	-98	152.2	-170	-50.3	92.8	0	0	0	112.1
296	N	26.8	Very low	30.1	Very low	142 Å²	142	138.1 Å²	138.1	76%	0.759	76%	0.763	S	S	*	*				179.7	138.6	112.9	-97	-39	0	0	0	117.6
297	I	26.8	Very low	30	Very low	137 Å²	137	140 Å²	140	70%	0.703	77%	0.767	S	S	*	*			trans	72.2	119.4	137.2	-63.5	164.9	0	0	0	121.5
298	S	26.2	Very low	29.9	Very low	115 Å²	115	137.8 Å²	137.8	80%	0.804	76%	0.761	S	S	*	*			trans	73.9	145.1	154.1	77.4	0	0	0	0	118.5
299	A	31.5	Very low	29.7	Very low	85 Å²	85	133.6 Å²	133.6	70%	0.702	75%	0.753	S	S	*	*			cis	-150.7	159.2	13.7	0	0	0	0	0	115.4
300	S	33.2	Very low	29.4	Very low	119 Å²	119	132.5 Å²	132.5	83%	0.832	74%	0.744	S	S	*	*			trans	76.1	119.3	150.6	-56.2	0	0	0	0	122.4
301	Y	30.2	Very low	29.7	Very low	209 Å²	209	134.3 Å²	134.3	82%	0.82	75%	0.748	S	S	*	*			trans	-94.6	177	161.9	-71.3	-97.1	0	0	0	111.5
302	P	33.7	Very low	29.6	Very low	120 Å²	120	135.5 Å²	135.5	78%	0.779	74%	0.743	S	S	*	*				-131.7	154.1	88.1	37	-26.6	0	0	0	112.8
303	I	27.5	Very low	29.7	Very low	135 Å²	135	134.7 Å²	134.7	69%	0.692	74%	0.739	S	S	*	*			cis	88.5	100.7	31	-59.7	168.1	0	0	0	115.3
304	T	31.3	Very low	29.7	Very low	136 Å²	136	135.2 Å²	135.2	83%	0.834	74%	0.74	S	S	*	*			trans	-177.5	133.1	133.6	30	0	0	0	0	107.3
305	S	26.7	Very low	29.6	Very low	100 Å²	100	130.4 Å²	130.4	70%	0.699	73%	0.728	S	S	*	*			cis	95.5	153.2	19.3	-159.8	0	0	0	0	115.7
306	I	31.2	Very low	29.8	Very low	145 Å²	145	130.8 Å²	130.8	74%	0.744	73%	0.73	S	S	*	*			trans	96.7	97.2	-170.8	-58.3	165.5	0	0	0	112.2
307	H	30.3	Very low	29.9	Very low	155 Å²	155	132 Å²	132	72%	0.718	73%	0.731	S	S	*	*				73.2	141.5	83.2	-71.9	-64.8	0	0	0	113.3
308	N	28.4	Very low	30.1	Very low	115 Å²	115	133.4 Å²	133.4	62%	0.615	74%	0.739	S	S	*	*			cis	-161.8	152	11.4	-123.9	-0.6	0	0	0	112.4
309	N	27.3	Very low	30.2	Very low	128 Å²	128	132.7 Å²	132.7	68%	0.684	73%	0.733	S	S	*	*				41.7	149	121.8	-69	29.7	0	0	0	121.5
310	T	30.1	Very low	30.3	Very low	97 Å²	97	132.8 Å²	132.8	60%	0.595	73%	0.729	S	S	*	*			cis	-173	158.5	12.9	13.7	0	0	0	0	112.5
311	D	29.2	Very low	30.3	Very low	130 Å²	130	134.8 Å²	134.8	70%	0.695	73%	0.725	S	S	*	*			trans	62.3	155.5	139.1	-55.4	-13.1	0	0	0	121.6
312	E	30.6	Very low	30.5	Very low	144 Å²	144	130.2 Å²	130.2	67%	0.673	72%	0.719	S	S	*	*			cis	-165.7	157.6	-8.2	-117	177	-171.7	0	0	111.5
313	H	34.1	Very low	30.5	Very low	153 Å²	153	130.4 Å²	130.4	71%	0.708	71%	0.71	S	S	*	*			trans	51.1	160	147.3	-69.2	-47.4	0	0	0	122.6
314	T	31.5	Very low	30.8	Very low	126 Å²	126	134.5 Å²	134.5	77%	0.773	72%	0.716	S	S	*	*			cis	-152.8	160.5	1.1	-4.1	0	0	0	0	112.9
315	S	29.6	Very low	30.9	Very low	93 Å²	93	131.6 Å²	131.6	65%	0.65	71%	0.706	S	S	*	*			trans	-76.2	162.8	-179.8	-24.6	0	0	0	0	116.6
316	L	30.5	Very low	31.2	Very low	163 Å²	163	133.9 Å²	133.9	85%	0.853	71%	0.71	S	S	*	*				176	169.3	113.8	-96.5	166.9	0	0	0	115.8
317	E	27.2	Very low	31.2	Very low	166 Å²	166	134 Å²	134	78%	0.776	71%	0.707	S	S	*	*			trans	-88.5	174.5	-168	-50.6	165.5	135.4	0	0	115
318	I	31.9	Very low	31.4	Very low	168 Å²	168	131.5 Å²	131.5	86%	0.862	71%	0.707	S	S	*	*				176.7	158.9	119.6	-89.4	159.4	0	0	0	113.2
319	S	29	Very low	31.6	Very low	99 Å²	99	130.6 Å²	130.6	69%	0.692	71%	0.71	S	S	*	*			trans	-84.6	158.6	-159	-44.1	0	0	0	0	120
320	S	33.4	Very low	31.7	Very low	88 Å²	88	129.4 Å²	129.4	62%	0.615	70%	0.704	S	S	*	*				61.6	152.7	129	73.8	0	0	0	0	125
321	E	31.6	Very low	31.8	Very low	161 Å²	161	126.3 Å²	126.3	75%	0.752	69%	0.686	S	S	*	*			trans	66.4	159.8	152.3	-73.6	155.5	122.2	0	0	117.6
322	T	35	Very low	32	Very low	113 Å²	113	124.7 Å²	124.7	69%	0.693	68%	0.68	S	S	*	*			cis	-157.3	165.1	0.1	21.1	0	0	0	0	107.9
323	Q	34.7	Very low	32.4	Very low	123 Å²	123	122.4 Å²	122.4	58%	0.575	68%	0.678	S	S	*	*			cis	-173.6	152.5	-24.8	-111.5	-177.2	29.4	0	0	109.2
324	R	32.9	Very low	32.2	Very low	221 Å²	221	120.4 Å²	120.4	83%	0.834	68%	0.679	S	S	*	*			trans	67.2	171.7	162.6	-65.1	175.9	-99.1	173.4	-5.2	115.1
325	A	33.7	Very low	32	Very low	75 Å²	75	119.5 Å²	119.5	62%	0.62	68%	0.678	S	S	*	*			cis	-158.6	145.8	15.9	0	0	0	0	0	114.8
326	L	32.1	Very low	32	Very low	148 Å²	148	119.6 Å²	119.6	78%	0.775	68%	0.684	S	S	*	*			trans	65.4	157.5	137.7	-57.1	164.9	0	0	0	118.9
327	E	32.8	Very low	31.9	Very low	149 Å²	149	119.8 Å²	119.8	70%	0.696	68%	0.681	S	S	*	*			cis	-159.9	151.4	7	-139.9	150.1	-136.6	0	0	114.2
328	S	33.3	Very low	32.1	Very low	101 Å²	101	118 Å²	118	71%	0.706	68%	0.676	S	S	*	*			trans	63.6	122.3	148.3	74.8	0	0	0	0	120.4
329	S	33.2	Very low	32.1	Very low	97 Å²	97	115.2 Å²	115.2	68%	0.678	67%	0.668	S	S	*	*				91	141.3	64	83.5	0	0	0	0	114.3
330	N	29.5	Very low	32.1	Very low	103 Å²	103	116 Å²	116	55%	0.551	66%	0.664	S	S	*	*			cis	-152.2	-123.1	-3.9	-107.5	-3.2	0	0	0	113	L97 A98	L97-N330 WeakPolarHBondContact O-CB 3.32Å; L97-N330 PolarHBondContact O-ND2 3.26Å; A98-N330 VanDerWaalsContact N-CB 3.26Å; A98-N330 CarbonylContact O-C 3.58Å; A98-N330 WeakPolarHBondContact O-CA 3.36Å; A98-N330 PolarHBondContact O-N 3.38Å; A98-N330 VanDerWaalsContact O-N 3.12Å
331	S	32	Very low	32	Very low	32 Å²	32	118.6 Å²	118.6	22%	0.224	67%	0.669	C	S	.	*			trans	-129.7	164.2	-135.2	78.5	0	0	0	0	120.3	L97 A98 Q99	L97-S331 VanDerWaalsContact CA-OG 3.31Å; L97-S331 WeakPolarHBondContact CA-OG 3.3Å; L97-S331 PolarHBondContact N-OG 3.41Å; A98-S331 CarbonylContact C-O 3.57Å; A98-S331 WeakPolarHBondContact CA-O 3.39Å; A98-S331 PolarHBondContact O-N 3.48Å; Q99-S331 WeakPolarHBondContact CA-O 3.36Å; Q99-S331 WeakPolarHBondContact CB-O 3.49Å; Q99-S331 WeakPolarHBondContact CG-O 3.49Å; Q99-S331 PolarHBondContact N-O 3.47Å
332	T	32.9	Very low	31.9	Very low	95 Å²	95	118.1 Å²	118.1	58%	0.583	67%	0.667	S	S	*	*			trans	47.4	151.3	142.4	48.8	0	0	0	0	124.9
333	P	38.5	Very low	31.5	Very low	96 Å²	96	117.3 Å²	117.3	62%	0.623	67%	0.665	S	S	*	*			trans	-98.5	-162.4	179.9	42.1	-36.2	0	0	0	113.5
334	P	31.8	Very low	31.3	Very low	112 Å²	112	118.3 Å²	118.3	73%	0.727	67%	0.669	S	S	*	*				-150.6	157.7	110.6	42.4	-27.6	0	0	0	118.3
335	S	26.1	Very low	31.1	Very low	107 Å²	107	114 Å²	114	75%	0.748	66%	0.659	S	S	*	*			trans	47.2	150.9	137.5	68.8	0	0	0	0	125.7
336	A	29.4	Very low	30.9	Very low	95 Å²	95	118.4 Å²	118.4	79%	0.785	66%	0.664	S	S	*	*			trans	84.2	147.5	156.5	0	0	0	0	0	116.2
337	E	29.6	Very low	30.8	Very low	166 Å²	166	115.8 Å²	115.8	78%	0.776	66%	0.658	S	S	*	*			cis	-141.4	161.3	12.6	-74.2	-176.2	127.7	0	0	113.5
338	N	30.7	Very low	30.6	Very low	129 Å²	129	115.3 Å²	115.3	69%	0.69	66%	0.66	S	S	*	*			trans	43.5	121.4	144.4	-53.2	-15.3	0	0	0	120.8
339	T	31	Very low	30.4	Very low	110 Å²	110	117.6 Å²	117.6	68%	0.675	66%	0.664	S	S	*	*			cis	83.2	104	49.2	66.2	0	0	0	0	116.9
340	D	30.5	Very low	30.2	Very low	115 Å²	115	119.2 Å²	119.2	62%	0.615	66%	0.664	S	S	*	*			trans	177.1	143.2	134.5	-87.7	-23.2	0	0	0	108.6	T124	T124-D340 WeakPolarHBondContact CG2-OD2 3.46Å
341	I	30.8	Very low	30.2	Very low	142 Å²	142	121.1 Å²	121.1	73%	0.728	67%	0.673	S	S	*	*			cis	108.6	125	8.4	-61.1	173.5	0	0	0	115.3
342	H	30.3	Very low	30	Very low	151 Å²	151	125.5 Å²	125.5	70%	0.699	70%	0.699	S	S	*	*			trans	86.6	89.9	162.2	-123.1	-111.3	0	0	0	123
343	C	26.3	Very low	29.9	Very low	96 Å²	96	125.5 Å²	125.5	65%	0.649	70%	0.701	S	S	*	*				60.1	153.6	111.4	-64	0	0	0	0	125.1
344	Q	30.9	Very low	29.6	Very low	144 Å²	144	126 Å²	126	67%	0.673	71%	0.706	S	S	*	*			trans	76.5	106.4	146.7	-80.6	179	-42.1	0	0	119.2
345	E	27.5	Very low	29.6	Very low	130 Å²	130	127.2 Å²	127.2	61%	0.607	70%	0.702	S	S	*	*				75.8	99.8	94.8	-83.3	-172	-120.2	0	0	113.2
346	K	30.6	Very low	29.7	Very low	169 Å²	169	129.8 Å²	129.8	74%	0.735	70%	0.702	S	S	*	*				-174.6	150.4	74.1	-98.5	151.2	179.3	84.8	0	113.2
347	S	29.5	Very low	29.7	Very low	93 Å²	93	129.9 Å²	129.9	65%	0.65	70%	0.697	S	S	*	*			trans	14.6	122.5	152.5	59	0	0	0	0	120.3
348	N	29.5	Very low	29.8	Very low	139 Å²	139	127.8 Å²	127.8	74%	0.743	70%	0.698	S	S	*	*				178.6	133.3	103.6	-94.9	-33.6	0	0	0	114.2
349	L	28.5	Very low	29.7	Very low	148 Å²	148	128.6 Å²	128.6	78%	0.775	70%	0.701	S	S	*	*			trans	64.5	146.7	150.3	-55.2	170.6	0	0	0	116.8
350	L	28.3	Very low	29.7	Very low	132 Å²	132	129.4 Å²	129.4	69%	0.691	71%	0.706	S	S	*	*			cis	-161	165.5	3.9	-119.9	163.6	0	0	0	109.6
351	L	29.4	Very low	29.7	Very low	142 Å²	142	133.3 Å²	133.3	74%	0.743	72%	0.718	S	S	*	*			trans	66.7	102.5	164.7	-56.2	146.7	0	0	0	116.6
352	T	29	Very low	29.7	Very low	124 Å²	124	132.4 Å²	132.4	76%	0.761	72%	0.719	S	S	*	*				68.7	147	56.8	72.9	0	0	0	0	115.8
353	P	30.8	Very low	29.7	Very low	96 Å²	96	131 Å²	131	62%	0.623	72%	0.721	S	S	*	*			cis	-123.4	164.2	2.3	35.9	-18.6	0	0	0	114.1
354	S	30.8	Very low	29.9	Very low	105 Å²	105	134 Å²	134	73%	0.734	73%	0.73	S	S	*	*				160.9	153.1	91	-62.2	0	0	0	0	109.2
355	H	32	Very low	29.8	Very low	138 Å²	138	133.3 Å²	133.3	64%	0.639	73%	0.731	S	S	*	*			cis	-150	113.9	-26.6	-119.5	-85.9	0	0	0	109.2
356	H	29	Very low	29.9	Very low	162 Å²	162	133.5 Å²	133.5	75%	0.75	74%	0.736	S	S	*	*			trans	58.5	110.5	147	-77.3	-90.7	0	0	0	124.3
357	S	29.7	Very low	30	Very low	97 Å²	97	133 Å²	133	68%	0.678	74%	0.736	S	S	*	*				-71.5	172.1	124.9	-45	0	0	0	0	110.8
358	P	31.2	Very low	30.1	Very low	122 Å²	122	136.6 Å²	136.6	79%	0.792	75%	0.745	S	S	*	*				-146.6	171.5	100.8	39	-24.3	0	0	0	115.6
359	L	27.6	Very low	30.1	Very low	146 Å²	146	138 Å²	138	76%	0.764	75%	0.751	S	S	*	*			trans	-87.7	173.1	171.8	-77.3	81.1	0	0	0	112.4
360	T	30.8	Very low	30.1	Very low	127 Å²	127	136 Å²	136	78%	0.779	74%	0.744	S	S	*	*			trans	71.8	117.1	149	38	0	0	0	0	121.1
361	K	30.8	Very low	30.1	Very low	196 Å²	196	135 Å²	135	85%	0.852	75%	0.749	S	S	*	*			trans	23.7	118.6	136.5	-70.6	-179.2	171	179.8	0	118.2
362	T	31.8	Very low	30	Very low	123 Å²	123	133.2 Å²	133.2	76%	0.755	74%	0.74	S	S	*	*				169.8	117.6	99.5	-67	0	0	0	0	111.9
363	T	29.1	Very low	29.9	Very low	123 Å²	123	139.6 Å²	139.6	76%	0.755	75%	0.75	S	S	*	*			trans	38.2	106.7	149.2	-43	0	0	0	0	121.3
364	L	31.6	Very low	29.9	Very low	159 Å²	159	140.1 Å²	140.1	83%	0.832	75%	0.752	S	S	*	*				-161.5	161.1	115.8	-143.5	80.9	0	0	0	112.7
365	N	28.3	Very low	29.8	Very low	129 Å²	129	144.9 Å²	144.9	69%	0.69	76%	0.759	S	S	*	*			trans	-68.9	145.2	179.6	-50.9	-46.7	0	0	0	113.4
366	N	30.4	Very low	29.5	Very low	134 Å²	134	143 Å²	143	72%	0.717	76%	0.762	S	S	*	*				176.7	121.5	98.6	-90.3	-41.5	0	0	0	114.8
367	Q	32.8	Very low	29.6	Very low	158 Å²	158	142 Å²	142	74%	0.738	76%	0.762	S	S	*	*			trans	54.3	138.9	137.8	-55.8	-175.2	-6.1	0	0	122.4
368	M	30.5	Very low	29.5	Very low	169 Å²	169	145.5 Å²	145.5	83%	0.833	77%	0.767	S	S	*	*			trans	69.2	128.5	169.3	-46.2	-173	-167.2	0	0	115.5
369	I	29.8	Very low	29.3	Very low	168 Å²	168	151.8 Å²	151.8	86%	0.862	78%	0.776	S	S	*	*			cis	-101.3	122.8	5	-62.2	171.7	0	0	0	110.7
370	T	28.5	Very low	29.2	Very low	105 Å²	105	151.7 Å²	151.7	64%	0.644	78%	0.776	S	S	*	*			trans	-105.7	122.7	159.5	52	0	0	0	0	109.6	N372	T370-N372 VanDerWaalsContact CB-OD1 3.3Å; T370-N372 WeakPolarHBondContact CB-OD1 3.42Å; T370-N372 PolarHBondContact O-N 2.9Å; T370-N372 PolarHBondContact OG1-OD1 3Å
371	S	29.3	Very low	29	Very low	113 Å²	113	151.1 Å²	151.1	79%	0.79	77%	0.772	S	S	*	*			trans	-92.5	84.5	160.1	59.2	0	0	0	0	108.1	W373	S371-W373 PolarHBondContact O-N 3.29Å
372	N	26.4	Very low	28.9	Very low	103 Å²	103	148.7 Å²	148.7	55%	0.551	77%	0.769	S	S	*	*			trans	-58.1	128.8	-177.5	-65.3	-17.5	0	0	0	111.5	T370 T374	T370-N372 VanDerWaalsContact CB-OD1 3.3Å; T370-N372 WeakPolarHBondContact CB-OD1 3.42Å; T370-N372 PolarHBondContact O-N 2.9Å; T370-N372 PolarHBondContact OG1-OD1 3Å; N372-T374 HydrophobicContact CB-CG2 4.21Å
373	W	27	Very low	28.5	Very low	259 Å²	259	148.1 Å²	148.1	98%	0.981	77%	0.769	S	S	*	*			trans	-118.6	79.6	144.4	-84	67.6	0	0	0	106.9	S371	S371-W373 PolarHBondContact O-N 3.29Å
374	T	30.7	Very low	28.5	Very low	106 Å²	106	147.1 Å²	147.1	65%	0.65	77%	0.766	S	S	*	*			trans	-71.5	159	176.3	36.5	0	0	0	0	111.3	N372	N372-T374 HydrophobicContact CB-CG2 4.21Å
375	K	29.6	Very low	28.4	Very low	206 Å²	206	145.8 Å²	145.8	90%	0.896	77%	0.765	S	S	*	*	S	Bend	trans	-63.9	165.3	162.2	-74.2	-177.7	173.4	-178.4	0	110.5
376	S	25.4	Very low	28.4	Very low	99 Å²	99	145 Å²	145	69%	0.692	77%	0.769	S	S	*	*			trans	70.4	142.8	-172.3	-104.4	0	0	0	0	113.2
377	D	30.8	Very low	28.2	Very low	141 Å²	141	145.4 Å²	145.4	75%	0.754	77%	0.771	S	S	*	*			cis	-132.4	176.5	15.8	-89.3	-54.4	0	0	0	115.6
378	Q	27.4	Very low	28.1	Very low	169 Å²	169	145.1 Å²	145.1	79%	0.79	77%	0.77	S	S	*	*			trans	-58.7	134.9	176.8	-54.1	160.3	-4.3	0	0	113
379	W	26.4	Very low	28.2	Very low	254 Å²	254	145 Å²	145	96%	0.962	77%	0.767	S	S	*	*			trans	-141.2	95.6	134.7	-79.2	-18.7	0	0	0	106.1
380	N	26.8	Very low	28.2	Very low	145 Å²	145	141.5 Å²	141.5	78%	0.775	76%	0.763	S	S	*	*				71.1	121.9	73.7	-162.6	15.4	0	0	0	112.5
381	T	26.2	Very low	28.1	Very low	114 Å²	114	144.2 Å²	144.2	70%	0.699	77%	0.774	S	S	*	*			trans	-75.4	140.1	-169.2	45.4	0	0	0	0	113.8
382	N	28.5	Very low	28.2	Very low	145 Å²	145	147.2 Å²	147.2	78%	0.775	78%	0.775	S	S	*	*			trans	-176.8	136.3	134.8	-88.2	-29.7	0	0	0	108.4
383	C	24.3	Very low	28.3	Very low	112 Å²	112	152.6 Å²	152.6	76%	0.757	79%	0.788	S	S	*	*				54.5	122.2	78.2	-81.4	0	0	0	0	113
384	S	29	Very low	28.8	Very low	101 Å²	101	148.9 Å²	148.9	71%	0.706	78%	0.781	S	S	*	*			cis	-159.9	155.3	6.1	-67.1	0	0	0	0	113.3
385	V	27.6	Very low	28.6	Very low	132 Å²	132	148.8 Å²	148.8	80%	0.8	78%	0.777	S	S	*	*			trans	32.9	114	136.2	-177.9	0	0	0	0	119.3
386	S	28.9	Very low	28.8	Very low	112 Å²	112	143.5 Å²	143.5	78%	0.783	77%	0.772	S	S	*	*				165.5	151.3	111.8	47.1	0	0	0	0	116.2
387	N	26	Very low	29.1	Very low	142 Å²	142	145.6 Å²	145.6	76%	0.759	77%	0.765	S	S	*	*			trans	-30.1	145.8	168.2	-53.7	-24.4	0	0	0	116.5
388	H	31.3	Very low	29	Very low	152 Å²	152	144.8 Å²	144.8	70%	0.704	77%	0.77	S	S	*	*				-162.9	141.2	71.9	-118.6	-99.3	0	0	0	115.7
389	Q	31.5	Very low	29.2	Very low	168 Å²	168	144.5 Å²	144.5	79%	0.785	77%	0.766	S	S	*	*			trans	35.9	137.3	142.7	-75.6	175.8	-27.6	0	0	123.7
390	A	31.1	Very low	29.5	Very low	94 Å²	94	140.6 Å²	140.6	78%	0.777	76%	0.756	S	S	*	*			trans	119.3	109.7	130.2	0	0	0	0	0	117.5
391	N	25.8	Very low	29.7	Very low	161 Å²	161	142.4 Å²	142.4	86%	0.861	76%	0.757	S	S	*	*			trans	11.4	115.8	148	-60.2	-15.8	0	0	0	119.3
392	E	31.4	Very low	30	Very low	177 Å²	177	143.4 Å²	143.4	83%	0.827	76%	0.758	S	S	*	*				-154.2	149.7	125	-118.9	166.7	-146.8	0	0	111.3
393	R	29.3	Very low	30.2	Very low	215 Å²	215	140.9 Å²	140.9	81%	0.811	75%	0.748	S	S	*	*			trans	-93.8	115.6	-175.1	-73.7	172.5	166.4	167	-10.1	110.7
394	Q	35.8	Very low	30.4	Very low	181 Å²	181	143.1 Å²	143.1	85%	0.846	75%	0.752	S	S	*	*			trans	-158.7	147.6	164.1	-114.9	154.2	77.9	0	0	112.6	A396	Q394-A396 PolarHBondContact O-N 3.34Å; Q394-A396 VanDerWaalsContact O-N 3.14Å
395	N	28.1	Very low	30.5	Very low	104 Å²	104	145.7 Å²	145.7	56%	0.556	75%	0.753	S	S	*	*			trans	-75.8	96.9	-172.4	-80.1	-28.3	0	0	0	112.6
396	A	33.5	Very low	30.5	Very low	95 Å²	95	147.4 Å²	147.4	79%	0.785	75%	0.752	S	S	*	*			trans	-109.5	78.4	174.3	0	0	0	0	0	112	Q394 C398	Q394-A396 PolarHBondContact O-N 3.34Å; Q394-A396 VanDerWaalsContact O-N 3.14Å; A396-C398 PolarHBondContact O-N 3.38Å
397	Y	32.3	Very low	30.6	Very low	143 Å²	143	146.9 Å²	146.9	56%	0.561	74%	0.744	S	S	*	*			trans	-76.6	85.9	177.2	-86.2	-70.2	0	0	0	112.5	F399 L557	Y397-F399 PolarHBondContact O-N 2.78Å; Y397-L557 HydrophobicContact CE2-CD2 3.75Å; Y397-L557 VanDerWaalsContact OH-CD2 3.3Å; Y397-L557 WeakPolarHBondContact OH-CD2 3.45Å
398	C	28.5	Very low	30.6	Very low	125 Å²	125	148 Å²	148	85%	0.845	74%	0.742	S	S	*	*			trans	-69.4	107	166.8	-109	0	0	0	0	110.7	A396 K400	A396-C398 PolarHBondContact O-N 3.38Å; C398-K400 PolarHBondContact O-N 2.85Å
399	F	30.1	Very low	30.5	Very low	163 Å²	163	146.6 Å²	146.6	72%	0.715	74%	0.74	S	S	*	*			trans	-73.4	91.2	171.1	-80.1	-90.3	0	0	0	110.6	Y397	Y397-F399 PolarHBondContact O-N 2.78Å
400	K	34.1	Very low	30.4	Very low	172 Å²	172	145.1 Å²	145.1	75%	0.748	74%	0.737	S	S	*	*			trans	-62.2	142.9	156.9	-83	-167.8	173.4	-174	0	109.5	C398 D402	C398-K400 PolarHBondContact O-N 2.85Å; K400-D402 VanDerWaalsContact C-N 3.34Å; K400-D402 PolarHBondContact O-N 2.98Å
401	K	30.2	Very low	30.4	Very low	183 Å²	183	149 Å²	149	80%	0.796	73%	0.733	S	S	*	*			trans	-97.2	58.3	-167.4	-164.2	-168.5	175.5	-170	0	110.6	T403	K401-T403 HydrophobicContact CG-CG2 4.35Å; K401-T403 PolarHBondContact O-N 2.82Å
402	D	33.2	Very low	30.8	Very low	135 Å²	135	147 Å²	147	72%	0.722	73%	0.726	S	S	*	*			trans	-79.2	84.9	-172	-54.9	-23.3	0	0	0	110.1	K400 N404	K400-D402 VanDerWaalsContact C-N 3.34Å; K400-D402 PolarHBondContact O-N 2.98Å; D402-N404 VanDerWaalsContact C-N 3.32Å; D402-N404 PolarHBondContact O-N 2.92Å
403	T	31.7	Very low	30.7	Very low	91 Å²	91	145.5 Å²	145.5	56%	0.558	72%	0.724	S	S	*	*			trans	-79.2	71.4	-176.6	48.1	0	0	0	0	112.4	K401 E405	K401-T403 HydrophobicContact CG-CG2 4.35Å; K401-T403 PolarHBondContact O-N 2.82Å; T403-E405 PolarHBondContact O-N 2.94Å
404	N	29.2	Very low	31.1	Very low	159 Å²	159	139.3 Å²	139.3	85%	0.85	72%	0.719	S	S	*	*			trans	-75.4	66.9	161.7	-84	-5.7	0	0	0	110.4	D402 H406	D402-N404 VanDerWaalsContact C-N 3.32Å; D402-N404 PolarHBondContact O-N 2.92Å; N404-H406 PolarHBondContact O-N 2.95Å
405	E	30.4	Very low	31	Very low	156 Å²	156	138.6 Å²	138.6	73%	0.729	72%	0.721	S	S	*	*			trans	-79.5	65.4	175.9	-71	-162.9	151.3	0	0	111.7	T403 V407	T403-E405 PolarHBondContact O-N 2.94Å; E405-V407 HydrophobicContact CB-CG2 4.23Å; E405-V407 PolarHBondContact O-N 3.21Å
406	H	29.2	Very low	31.1	Very low	167 Å²	167	139.4 Å²	139.4	77%	0.773	74%	0.735	S	S	*	*			trans	-71.3	76.1	159.5	-92.2	-70.9	0	0	0	110.1	N404 F408	N404-H406 PolarHBondContact O-N 2.95Å; H406-F408 PolarHBondContact O-N 2.89Å
407	V	29.2	Very low	31	Very low	102 Å²	102	141.4 Å²	141.4	62%	0.618	74%	0.737	S	S	*	*			trans	-71.4	79.7	169.6	175.5	0	0	0	0	107.9	E405 L409	E405-V407 HydrophobicContact CB-CG2 4.23Å; E405-V407 PolarHBondContact O-N 3.21Å; V407-L409 VanDerWaalsContact C-N 3.26Å; V407-L409 HydrophobicContact CG1-CD1 4.08Å; V407-L409 HydrophobicContact CG1-CG 3.91Å; V407-L409 PolarHBondContact O-N 3.46Å
408	F	27.3	Very low	30.9	Very low	165 Å²	165	140.4 Å²	140.4	72%	0.724	75%	0.746	S	S	*	*			trans	-69.3	86.9	170.4	-121.4	-86	0	0	0	109.2	H406 D410	H406-F408 PolarHBondContact O-N 2.89Å; F408-D410 PolarHBondContact O-N 2.96Å
409	L	29.1	Very low	31	Very low	123 Å²	123	142.4 Å²	142.4	64%	0.644	75%	0.746	S	S	*	*			trans	-77.7	92.9	165.2	-81.7	163.6	0	0	0	108	V407 Y411	V407-L409 VanDerWaalsContact C-N 3.26Å; V407-L409 HydrophobicContact CG1-CD1 4.08Å; V407-L409 HydrophobicContact CG1-CG 3.91Å; V407-L409 PolarHBondContact O-N 3.46Å; L409-Y411 HydrophobicContact CB-CD2 4.45Å; L409-Y411 HydrophobicContact CD2-CD2 4.12Å; L409-Y411 HydrophobicContact CD2-CE2 4.2Å; L409-Y411 PolarHBondContact O-N 3.19Å
410	D	28.4	Very low	31	Very low	137 Å²	137	142.9 Å²	142.9	73%	0.733	75%	0.751	S	S	*	*			trans	-69.6	64.2	167.8	-71.2	-44	0	0	0	110.6	F408	F408-D410 PolarHBondContact O-N 2.96Å
411	Y	32.5	Very low	30.8	Very low	175 Å²	175	139 Å²	139	69%	0.686	75%	0.746	S	S	*	*			trans	-88	103	162.5	-95.9	-92.9	0	0	0	108.2	L409 D413	L409-Y411 HydrophobicContact CB-CD2 4.45Å; L409-Y411 HydrophobicContact CD2-CD2 4.12Å; L409-Y411 HydrophobicContact CD2-CE2 4.2Å; L409-Y411 PolarHBondContact O-N 3.19Å; Y411-D413 VanDerWaalsContact C-N 3.25Å; Y411-D413 PolarHBondContact O-N 3.38Å
412	T	32.5	Very low	31.1	Very low	118 Å²	118	136.6 Å²	136.6	72%	0.724	75%	0.749	S	S	*	*			trans	-79.1	76.6	171.7	55.9	0	0	0	0	109.8	A414	T412-A414 PolarHBondContact O-N 3.23Å
413	D	31.2	Very low	31	Very low	147 Å²	147	136.7 Å²	136.7	79%	0.786	75%	0.749	S	S	*	*			trans	-67.7	124.5	173.1	-81.4	-27.4	0	0	0	110.6	Y411	Y411-D413 VanDerWaalsContact C-N 3.25Å; Y411-D413 PolarHBondContact O-N 3.38Å
414	A	36.1	Very low	31	Very low	84 Å²	84	136.5 Å²	136.5	69%	0.694	76%	0.757	S	S	*	*			trans	-135.6	66.5	177.4	0	0	0	0	0	110	T412	T412-A414 PolarHBondContact O-N 3.23Å
415	N	33.3	Very low	31	Very low	166 Å²	166	137.5 Å²	137.5	89%	0.888	75%	0.754	S	S	*	*			trans	-177.5	118.6	140.6	-89.8	-27.9	0	0	0	111
416	S	30.5	Very low	31	Very low	122 Å²	122	134.7 Å²	134.7	85%	0.853	75%	0.747	S	S	*	*			trans	-87.9	133	-179.8	-40.5	0	0	0	0	112.2
417	T	32.3	Very low	31.1	Very low	137 Å²	137	133 Å²	133	84%	0.84	74%	0.744	S	S	*	*			trans	-151.1	101.2	153.7	4	0	0	0	0	113.7
418	V	29.4	Very low	31.3	Very low	121 Å²	121	133.3 Å²	133.3	73%	0.733	74%	0.742	S	S	*	*			trans	-0.5	125.8	146.5	-175.1	0	0	0	0	117.5	Q420	V418-Q420 HydrophobicContact CG1-CG 4.03Å
419	I	30.3	Very low	31.7	Very low	168 Å²	168	134.5 Å²	134.5	86%	0.862	74%	0.742	S	S	*	*			trans	-127.8	147.6	142.7	-63.1	-176.3	0	0	0	107.3
420	Q	31.5	Very low	32	Very low	172 Å²	172	135.2 Å²	135.2	80%	0.804	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-96	162.6	-159.3	-65	160.1	-79.1	0	0	114.7	V418	V418-Q420 HydrophobicContact CG1-CG 4.03Å
421	S	30.3	Very low	32.1	Very low	92 Å²	92	131.7 Å²	131.7	64%	0.643	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-61.1	164.8	171.4	-40.5	0	0	0	0	113.5
422	P	36.2	Very low	32.1	Very low	132 Å²	132	132.8 Å²	132.8	86%	0.857	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-96.1	122.4	134	-11.3	28.8	0	0	0	109.8
423	D	30.1	Very low	31.9	Very low	137 Å²	137	132.1 Å²	132.1	73%	0.733	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-70.3	150.7	170	-50.6	-82.2	0	0	0	111.1
424	A	32.1	Very low	31.9	Very low	87 Å²	87	133.2 Å²	133.2	72%	0.719	76%	0.763	S	S	*	*				170.4	129.6	101.9	0	0	0	0	0	114.5
425	F	29.4	Very low	31.7	Very low	180 Å²	180	134.5 Å²	134.5	79%	0.789	76%	0.762	S	S	*	*				33.4	138	129.2	-67.9	-96.8	0	0	0	121.7
426	T	30.2	Very low	31.8	Very low	96 Å²	96	132.1 Å²	132.1	59%	0.589	76%	0.758	S	S	*	*			cis	-172.7	-176.2	-14.9	20.4	0	0	0	0	107.5
427	D	31.4	Very low	32.1	Very low	131 Å²	131	131.6 Å²	131.6	70%	0.701	76%	0.755	S	S	*	*			trans	74.2	149.4	145.4	-69.8	-15.2	0	0	0	117.4
428	D	33.7	Very low	32.2	Very low	110 Å²	110	132.7 Å²	132.7	59%	0.588	76%	0.755	S	S	*	*			cis	178.4	164.6	-22.2	-130.7	14.9	0	0	0	104.1
429	R	35.7	Very low	32.5	Very low	189 Å²	189	131.9 Å²	131.9	71%	0.713	76%	0.761	S	S	*	*			cis	-168.5	175.4	-14.6	-140.8	178.9	-159.9	117.9	-3.6	106.6
430	T	35	Very low	32.7	Very low	138 Å²	138	133 Å²	133	85%	0.847	76%	0.763	S	S	*	*			trans	63	146.1	159.2	56.5	0	0	0	0	119.4
431	G	30.9	Very low	32.9	Very low	63 Å²	63	129.9 Å²	129.9	65%	0.649	76%	0.76	S	S	*	*			cis	143	135.7	-13.6	0	0	0	0	0	115.1
432	H	32	Very low	33.1	Very low	199 Å²	199	131.4 Å²	131.4	92%	0.921	77%	0.771	S	S	*	*			trans	-151.6	121.6	162.4	-83.4	6	0	0	0	105.8
433	S	28.6	Very low	32.9	Very low	103 Å²	103	128.5 Å²	128.5	72%	0.72	76%	0.764	S	S	*	*			cis	102.1	86.1	20.2	-162	0	0	0	0	114.9
434	I	31.5	Very low	33	Very low	171 Å²	171	129.4 Å²	129.4	88%	0.877	77%	0.769	S	S	*	*			trans	-145.5	94.8	156.2	-52.3	178.6	0	0	0	104.3
435	V	30.9	Very low	32.9	Very low	111 Å²	111	135.2 Å²	135.2	67%	0.673	78%	0.782	S	S	*	*				83.7	125.1	59.7	178.2	0	0	0	0	113
436	S	35	Very low	33.1	Very low	115 Å²	115	131 Å²	131	80%	0.804	77%	0.774	S	S	*	*			trans	86.1	132.1	-175.7	-35.6	0	0	0	0	114.7
437	S	38.2	Very low	33.2	Very low	112 Å²	112	134.6 Å²	134.6	78%	0.783	79%	0.79	S	S	*	*			cis	-160.2	156.8	-7.4	45.1	0	0	0	0	111.5
438	D	33.7	Very low	33.3	Very low	159 Å²	159	136.1 Å²	136.1	85%	0.85	79%	0.793	S	S	*	*			trans	-79.4	148.8	-162.1	-46.4	-102.9	0	0	0	117.3
439	A	36.9	Very low	33.5	Very low	104 Å²	104	139.6 Å²	139.6	86%	0.86	81%	0.806	S	S	*	*			trans	-152.9	146.4	152.9	0	0	0	0	0	109.7
440	Q	32.8	Very low	33.7	Very low	191 Å²	191	136.6 Å²	136.6	89%	0.893	80%	0.801	S	S	*	*			trans	-128.6	122.9	-169.3	-65.2	177.9	-36.2	0	0	113.9
441	S	35.7	Very low	34.1	Very low	108 Å²	108	132.4 Å²	132.4	76%	0.755	78%	0.777	S	S	*	*			trans	-172.1	121.6	150.5	52.9	0	0	0	0	107.8
442	S	35.1	Very low	34.9	Very low	124 Å²	124	134.7 Å²	134.7	87%	0.867	77%	0.774	S	S	*	*				68.7	95.8	52.7	81.6	0	0	0	0	113.7
443	G	32.7	Very low	35.3	Very low	70 Å²	70	129.5 Å²	129.5	72%	0.722	76%	0.756	S	S	*	*			trans	162.5	118.1	172.1	0	0	0	0	0	112.8
444	D	32.7	Very low	36.1	Very low	156 Å²	156	128 Å²	128	83%	0.834	74%	0.74	S	S	*	*			trans	44.3	112.7	152.4	-51.3	-24	0	0	0	120.7	S446	D444-S446 PolarHBondContact O-N 3.48Å
445	E	28.7	Very low	37.1	Very low	210 Å²	210	121 Å²	121	98%	0.981	70%	0.704	S	S	*	*			trans	-70.1	112.1	163.9	-66.5	-178.1	146.4	0	0	110.5
446	S	34.4	Very low	38.2	Very low	90 Å²	90	121.3 Å²	121.3	63%	0.629	70%	0.698	S	S	*	*			trans	-146.3	151	163.1	62.6	0	0	0	0	109.9	D444 E448	D444-S446 PolarHBondContact O-N 3.48Å; S446-E448 VanDerWaalsContact C-N 3.32Å; S446-E448 PolarHBondContact O-N 2.94Å
447	D	32.1	Very low	39.2	Very low	172 Å²	172	122.3 Å²	122.3	92%	0.92	69%	0.689	S	S	*	*			trans	-70.5	81.3	-176.1	-59.9	-74.1	0	0	0	111.5	E449	D447-E449 PolarHBondContact O-N 2.95Å
448	E	33.8	Very low	39.8	Very low	163 Å²	163	120.5 Å²	120.5	76%	0.762	67%	0.667	S	S	*	*			trans	-67.8	94.5	176	-75.3	-137.5	141.5	0	0	111.6	S446 M450	S446-E448 VanDerWaalsContact C-N 3.32Å; S446-E448 PolarHBondContact O-N 2.94Å; E448-M450 PolarHBondContact O-N 3.15Å; E448-M450 VanDerWaalsContact O-N 3.16Å
449	E	37.5	Very low	41.1	Very low	184 Å²	184	113 Å²	113	86%	0.86	63%	0.627	S	S	*	*			trans	-45.8	115.5	165.4	-175.2	173.4	-132.9	0	0	110.1	D447 S451	D447-E449 PolarHBondContact O-N 2.95Å; E449-S451 PolarHBondContact O-N 3.4Å
450	M	39.8	Very low	42.3	Very low	125 Å²	125	111.8 Å²	111.8	62%	0.616	61%	0.606	S	S	*	*			trans	-65.5	96.9	-171.7	-177.3	164.9	-74.6	0	0	111.1	E448 N454	E448-M450 PolarHBondContact O-N 3.15Å; E448-M450 VanDerWaalsContact O-N 3.16Å; M450-N454 HydrophobicContact CG-CB 3.95Å
451	S	43.1	Very low	43.7	Very low	50 Å²	50	106.1 Å²	106.1	35%	0.35	59%	0.588	S	S	.	*			trans	-59	153.5	-178.7	76.3	0	0	0	0	112.1	E449 V453 N454 F455	E449-S451 PolarHBondContact O-N 3.4Å; S451-V453 PolarHBondContact O-N 3.34Å; S451-V453 VanDerWaalsContact O-N 3.11Å; S451-N454 WeakPolarHBondContact O-CA 3.26Å; S451-N454 WeakPolarHBondContact O-CB 3.37Å; S451-N454 PolarHBondContact O-N 3.08Å; S451-N454 PolarHBondContact OG-N 3.35Å; S451-F455 PolarHBondContact O-N 2.97Å
452	L	48.1	Very low	45	Very low	112 Å²	112	104.1 Å²	104.1	59%	0.586	57%	0.568	S	S	*	*	H	α-helix	trans	-55.7	-30.5	176	-67.3	170.8	0	0	0	112.3	F455 E456	L452-F455 PolarHBondContact O-N 3.27Å; L452-E456 PolarHBondContact O-N 3.05Å
453	V	40	Very low	46.3	Very low	89 Å²	89	106.2 Å²	106.2	54%	0.539	56%	0.563	S	S	.	*	H	α-helix	trans	-66.1	-37.9	175.8	-172	0	0	0	0	111.5	S451 H457	S451-V453 PolarHBondContact O-N 3.34Å; S451-V453 VanDerWaalsContact O-N 3.11Å; V453-H457 WeakPolarHBondContact O-CB 3.32Å; V453-H457 PolarHBondContact O-N 2.9Å
454	N	45	Very low	48.2	Very low	72 Å²	72	105 Å²	105	39%	0.385	54%	0.543	S	S	.	.	H	α-helix	trans	-72.3	-36.1	175.6	-68.6	-7.5	0	0	0	111.4	M450 S451 H457 F458	M450-N454 HydrophobicContact CG-CB 3.95Å; S451-N454 WeakPolarHBondContact O-CA 3.26Å; S451-N454 WeakPolarHBondContact O-CB 3.37Å; S451-N454 PolarHBondContact O-N 3.08Å; S451-N454 PolarHBondContact OG-N 3.35Å; N454-H457 PolarHBondContact O-N 3.5Å; N454-F458 WeakPolarHBondContact O-CB 3.42Å; N454-F458 PolarHBondContact O-N 3.02Å
455	F	53.8	Low	50	Low	25 Å²	25	101 Å²	101	11%	0.11	52%	0.521	C	S	.	.	H	α-helix	trans	-65.9	-42.7	172.8	-178.2	-93.7	0	0	0	112.3	S451 L452 F458 T459 L489 L490 Y493	S451-F455 PolarHBondContact O-N 2.97Å; L452-F455 PolarHBondContact O-N 3.27Å; F455-F458 PolarHBondContact O-N 3.24Å; F455-T459 HydrophobicContact CD1-CG2 4.2Å; F455-T459 HydrophobicContact CD2-CG2 4.43Å; F455-T459 HydrophobicContact CE1-CG2 3.73Å; F455-T459 HydrophobicContact CE2-CG2 4Å; F455-T459 HydrophobicContact CZ-CG2 3.62Å; F455-T459 WeakPolarHBondContact O-CG2 3.38Å; F455-T459 PolarHBondContact O-N 3.16Å; F455-T459 PolarHBondContact O-OG1 2.66Å; F455-L489 HydrophobicContact CE2-CB 4.25Å; F455-L489 HydrophobicContact CZ-CB 3.97Å; F455-L490 HydrophobicContact CD1-CD2 4.25Å; F455-L490 HydrophobicContact CE1-CD2 3.5Å; F455-L490 HydrophobicContact CE1-CG 3.96Å; F455-L490 HydrophobicContact CE2-CD2 4.29Å; F455-L490 HydrophobicContact CZ-CD2 3.53Å; F455-L490 HydrophobicContact CZ-CG 3.85Å; F455-Y493 HydrophobicContact CD2-CD2 4.27Å; F455-Y493 HydrophobicContact CD2-CE2 4.23Å; F455-Y493 AromaticContact CE2-CD2 3.67Å; F455-Y493 HydrophobicContact CE2-CD2 3.67Å; F455-Y493 AromaticContact CE2-CE2 3.68Å; F455-Y493 HydrophobicContact CE2-CE2 3.68Å
456	E	53.6	Low	51.7	Low	116 Å²	116	101.2 Å²	101.2	54%	0.542	52%	0.522	S	S	.	.	H	α-helix	trans	-59.5	-51	170.9	-77.4	-177.5	-168.5	0	0	110.6	L452 F458 T459 N460	L452-E456 PolarHBondContact O-N 3.05Å; E456-F458 VanDerWaalsContact C-N 3.32Å; E456-F458 PolarHBondContact O-N 3.49Å; E456-T459 PolarHBondContact O-N 3.38Å; E456-T459 PolarHBondContact O-OG1 2.91Å; E456-N460 WeakPolarHBondContact O-CB 3.43Å; E456-N460 PolarHBondContact O-N 2.99Å; E456-N460 PolarHBondContact O-ND2 3.24Å; E456-N460 VanDerWaalsContact O-ND2 3.1Å; E456-N460 PolarHBondContact O-OD1 2.88Å
457	H	55.4	Low	53.5	Low	136 Å²	136	100.5 Å²	100.5	63%	0.63	52%	0.522	S	S	*	.	H	α-helix	trans	-57.4	-41.5	177	-100	-82.8	0	0	0	113.5	V453 N454 S461	V453-H457 WeakPolarHBondContact O-CB 3.32Å; V453-H457 PolarHBondContact O-N 2.9Å; N454-H457 PolarHBondContact O-N 3.5Å; H457-S461 WeakPolarHBondContact O-CB 3.45Å; H457-S461 PolarHBondContact O-N 3.5Å; H457-S461 VanDerWaalsContact O-N 3.11Å
458	F	51.7	Low	55.6	Low	74 Å²	74	94.1 Å²	94.1	33%	0.325	50%	0.497	S	S	.	.	H	α-helix	trans	-64.8	-52.8	177.2	-177	-100.2	0	0	0	111.6	N454 F455 E456 N460 S461 M462 H473	N454-F458 WeakPolarHBondContact O-CB 3.42Å; N454-F458 PolarHBondContact O-N 3.02Å; F455-F458 PolarHBondContact O-N 3.24Å; E456-F458 VanDerWaalsContact C-N 3.32Å; E456-F458 PolarHBondContact O-N 3.49Å; F458-N460 VanDerWaalsContact C-N 3.27Å; F458-N460 PolarHBondContact O-N 2.93Å; F458-S461 WeakPolarHBondContact O-CB 3.35Å; F458-S461 PolarHBondContact O-N 3.29Å; F458-S461 PolarHBondContact O-OG 2.89Å; F458-M462 HydrophobicContact CD2-CE 4.19Å; F458-M462 HydrophobicContact CE1-CE 4.28Å; F458-M462 HydrophobicContact CE2-CE 3.71Å; F458-M462 HydrophobicContact CZ-CE 3.76Å; F458-H473 AromaticContact CE1-CE1 3.82Å; F458-H473 AromaticContact CZ-CE1 3.95Å
459	T	60.9	Low	57.8	Low	2 Å²	2	89.2 Å²	89.2	1%	0.012	48%	0.476	C	S	.	.	H	α-helix	trans	-65.9	-28.8	178.8	57.3	0	0	0	0	113.2	F455 E456 S461 Q486 L489	F455-T459 HydrophobicContact CD1-CG2 4.2Å; F455-T459 HydrophobicContact CD2-CG2 4.43Å; F455-T459 HydrophobicContact CE1-CG2 3.73Å; F455-T459 HydrophobicContact CE2-CG2 4Å; F455-T459 HydrophobicContact CZ-CG2 3.62Å; F455-T459 WeakPolarHBondContact O-CG2 3.38Å; F455-T459 PolarHBondContact O-N 3.16Å; F455-T459 PolarHBondContact O-OG1 2.66Å; E456-T459 PolarHBondContact O-N 3.38Å; E456-T459 PolarHBondContact O-OG1 2.91Å; T459-S461 VanDerWaalsContact C-N 3.31Å; T459-Q486 HydrophobicContact CG2-CG 4.22Å; T459-Q486 PolarHBondContact OG1-NE2 3.35Å; T459-L489 HydrophobicContact CG2-CD1 3.64Å
460	N	62.3	Low	59.7	Low	78 Å²	78	82 Å²	82	42%	0.417	44%	0.441	S	S	.	.	H	α-helix	trans	-73.9	-19.7	173.6	-65	-17.1	0	0	0	113.3	E456 F458 R482	E456-N460 WeakPolarHBondContact O-CB 3.43Å; E456-N460 PolarHBondContact O-N 2.99Å; E456-N460 PolarHBondContact O-ND2 3.24Å; E456-N460 VanDerWaalsContact O-ND2 3.1Å; E456-N460 PolarHBondContact O-OD1 2.88Å; F458-N460 VanDerWaalsContact C-N 3.27Å; F458-N460 PolarHBondContact O-N 2.93Å; N460-R482 PolarHBondContact OD1-NH2 3.37Å
461	S	61.2	Low	61.3	Low	72 Å²	72	81.4 Å²	81.4	50%	0.503	44%	0.435	S	S	.	.	H	α-helix	trans	-85	-19.8	178.1	75.5	0	0	0	0	114.1	H457 F458 T459 Q463	H457-S461 WeakPolarHBondContact O-CB 3.45Å; H457-S461 PolarHBondContact O-N 3.5Å; H457-S461 VanDerWaalsContact O-N 3.11Å; F458-S461 WeakPolarHBondContact O-CB 3.35Å; F458-S461 PolarHBondContact O-N 3.29Å; F458-S461 PolarHBondContact O-OG 2.89Å; T459-S461 VanDerWaalsContact C-N 3.31Å; S461-Q463 PolarHBondContact O-N 3.19Å
462	M	63.3	Low	62.9	Low	67 Å²	67	79.7 Å²	79.7	33%	0.33	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-73.3	118.5	-176.2	-67.5	-65.2	130.3	0	0	111.4	F458 F485	F458-M462 HydrophobicContact CD2-CE 4.19Å; F458-M462 HydrophobicContact CE1-CE 4.28Å; F458-M462 HydrophobicContact CE2-CE 3.71Å; F458-M462 HydrophobicContact CZ-CE 3.76Å; M462-F485 HydrophobicContact CB-CE1 4.08Å; M462-F485 HydrophobicContact CG-CE1 4.28Å
463	Q	62.5	Low	64	Low	167 Å²	167	79.5 Å²	79.5	78%	0.78	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-85.3	140.1	170.8	-64.9	-77.7	-85.6	0	0	109.9	S461	S461-Q463 PolarHBondContact O-N 3.19Å
464	P	72.8	Confident	65.4	Low	46 Å²	46	79.2 Å²	79.2	30%	0.299	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-67	159.9	166.2	30.3	-33.8	0	0	0	110.7	L469 Y470	P464-L469 CarbonylContact C-O 3.6Å; P464-L469 WeakPolarHBondContact CA-O 3.42Å; P464-Y470 HydrophobicContact CB-CD1 4.27Å; P464-Y470 HydrophobicContact CB-CD2 4.24Å; P464-Y470 HydrophobicContact CB-CE1 4.15Å; P464-Y470 HydrophobicContact CB-CE2 4.11Å; P464-Y470 HydrophobicContact CB-CG 4.3Å; P464-Y470 HydrophobicContact CG-CE1 4.3Å; P464-Y470 HydrophobicContact CG-CE2 4.44Å
465	N	70.4	Confident	67	Low	70 Å²	70	78.4 Å²	78.4	37%	0.374	41%	0.413	S	S	.	.			trans	-71.7	179.3	178.7	82.4	-14	0	0	0	112.6	A467 G468 L469 F471	N465-A467 PolarHBondContact O-N 3.34Å; N465-A467 WeakPolarHBondContact OD1-CA 3.26Å; N465-A467 WeakPolarHBondContact OD1-CB 3.47Å; N465-A467 PolarHBondContact OD1-N 2.67Å; N465-G468 PolarHBondContact O-N 3.11Å; N465-G468 PolarHBondContact OD1-N 2.89Å; N465-L469 PolarHBondContact N-O 3.05Å; N465-L469 PolarHBondContact OD1-N 3.18Å; N465-F471 HydrophobicContact CB-CD2 4.48Å; N465-F471 HydrophobicContact CB-CE2 4.09Å; N465-F471 VanDerWaalsContact ND2-CE2 3.32Å; N465-F471 WeakPolarHBondContact ND2-CE2 3.5Å
466	H	65.1	Low	68.2	Low	215 Å²	215	85.6 Å²	85.6	100%	0.995	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-10.9	176.5	-64.2	-54.5	0	0	0	115.7
467	A	71.3	Confident	69.4	Low	76 Å²	76	83.2 Å²	83.2	63%	0.628	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	6.3	175.1	0	0	0	0	0	113.2	N465	N465-A467 PolarHBondContact O-N 3.34Å; N465-A467 WeakPolarHBondContact OD1-CA 3.26Å; N465-A467 WeakPolarHBondContact OD1-CB 3.47Å; N465-A467 PolarHBondContact OD1-N 2.67Å
468	G	76.1	Confident	70.6	Confident	38 Å²	38	79 Å²	79	39%	0.392	43%	0.429	S	S	.	.	S	Bend	trans	81	11.8	-180	0	0	0	0	0	115.1	N465	N465-G468 PolarHBondContact O-N 3.11Å; N465-G468 PolarHBondContact OD1-N 2.89Å
469	L	79.5	Confident	71.9	Confident	60 Å²	60	75.6 Å²	75.6	31%	0.314	42%	0.415	S	S	.	.			trans	-100.4	136.6	-176.8	-59.9	177.4	0	0	0	112.2	P464 N465 F471 G479	P464-L469 CarbonylContact C-O 3.6Å; P464-L469 WeakPolarHBondContact CA-O 3.42Å; N465-L469 PolarHBondContact N-O 3.05Å; N465-L469 PolarHBondContact OD1-N 3.18Å; L469-F471 HydrophobicContact CB-CD2 4.42Å; L469-F471 HydrophobicContact CB-CE2 3.63Å; L469-F471 HydrophobicContact CB-CZ 4.11Å; L469-F471 HydrophobicContact CD1-CZ 4.28Å; L469-G479 WeakPolarHBondContact CA-O 3.48Å
470	Y	78.1	Confident	72.7	Confident	33 Å²	33	79.6 Å²	79.6	13%	0.129	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	135.4	169.2	-63	-91.4	0	0	0	109.9	P464 A478 G479 R482 F485	P464-Y470 HydrophobicContact CB-CD1 4.27Å; P464-Y470 HydrophobicContact CB-CD2 4.24Å; P464-Y470 HydrophobicContact CB-CE1 4.15Å; P464-Y470 HydrophobicContact CB-CE2 4.11Å; P464-Y470 HydrophobicContact CB-CG 4.3Å; P464-Y470 HydrophobicContact CG-CE1 4.3Å; P464-Y470 HydrophobicContact CG-CE2 4.44Å; Y470-A478 CarbonylContact O-C 3.53Å; Y470-A478 VanDerWaalsContact O-CA 3.26Å; Y470-A478 WeakPolarHBondContact O-CA 3.33Å; Y470-G479 PolarHBondContact N-O 3.14Å; Y470-G479 PolarHBondContact O-N 2.81Å; Y470-R482 HydrophobicContact CE1-CB 4.48Å; Y470-R482 HydrophobicContact CE1-CG 4.47Å; Y470-R482 HydrophobicContact CE2-CB 3.88Å; Y470-F485 VanDerWaalsContact CB-CG 3.45Å; Y470-F485 AromaticContact CD1-CD1 3.72Å; Y470-F485 HydrophobicContact CD1-CD1 3.72Å; Y470-F485 HydrophobicContact CD1-CE1 4.09Å; Y470-F485 HydrophobicContact CD1-CG 4.29Å; Y470-F485 HydrophobicContact CD2-CB 4.47Å; Y470-F485 HydrophobicContact CG-CB 4.08Å; Y470-F485 AromaticContact CG-CD1 3.91Å; Y470-F485 HydrophobicContact CG-CD1 3.91Å; Y470-F485 AromaticContact CG-CG 4Å; Y470-F485 HydrophobicContact CG-CG 4Å
471	F	73.8	Confident	73.4	Confident	111 Å²	111	79.7 Å²	79.7	49%	0.487	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	136.3	-179.5	-71.5	-98.1	0	0	0	111	N465 L469 A478 F485	N465-F471 HydrophobicContact CB-CD2 4.48Å; N465-F471 HydrophobicContact CB-CE2 4.09Å; N465-F471 VanDerWaalsContact ND2-CE2 3.32Å; N465-F471 WeakPolarHBondContact ND2-CE2 3.5Å; L469-F471 HydrophobicContact CB-CD2 4.42Å; L469-F471 HydrophobicContact CB-CE2 3.63Å; L469-F471 HydrophobicContact CB-CZ 4.11Å; L469-F471 HydrophobicContact CD1-CZ 4.28Å; F471-A478 HydrophobicContact CD1-CB 3.87Å; F471-A478 HydrophobicContact CE1-CB 3.62Å; F471-A478 HydrophobicContact CG-CB 4.49Å; F471-A478 HydrophobicContact CZ-CB 4.04Å; F471-F485 VanDerWaalsContact C-CE2 3.47Å; F471-F485 VanDerWaalsContact O-CE2 3.24Å; F471-F485 WeakPolarHBondContact O-CE2 3.41Å; F471-F485 WeakPolarHBondContact O-CZ 3.24Å
472	C	76	Confident	74.3	Confident	14 Å²	14	80.8 Å²	80.8	10%	0.095	44%	0.437	C	S	.	.			trans	-75	140	169.7	-165.1	0	0	0	0	110.7	L474 C475 F477 F485 H488 H492	C472-L474 VanDerWaalsContact C-N 3.31Å; C472-L474 PolarHBondContact SG-N 2.99Å; C472-L474 VanDerWaalsContact SG-N 3.42Å; C472-C475 WeakPolarHBondContact CB-O 3.43Å; C472-F477 HydrophobicContact CB-CB 4.09Å; C472-F477 PolarHBondContact N-O 2.94Å; C472-F485 HydrophobicContact CB-CE2 4.4Å; C472-H488 WeakPolarHBondContact CB-NE2 3.47Å; C472-H488 PolarHBondContact SG-NE2 3.14Å; C472-H492 PolarHBondContact SG-NE2 3.39Å; C472-H492 VanDerWaalsContact SG-NE2 3.44Å
473	H	70.2	Confident	74.9	Confident	109 Å²	109	82.5 Å²	82.5	51%	0.505	44%	0.444	S	S	.	.	S	Bend	trans	-88.5	-1.7	174.9	65.5	-82	0	0	0	112.5	F458	F458-H473 AromaticContact CE1-CE1 3.82Å; F458-H473 AromaticContact CZ-CE1 3.95Å
474	L	71.3	Confident	75.6	Confident	83 Å²	83	79 Å²	79	44%	0.435	43%	0.428	S	S	.	.	S	Bend	trans	-113.9	-17.8	-175.1	-57.4	174.6	0	0	0	113.4	C472 H492	C472-L474 VanDerWaalsContact C-N 3.31Å; C472-L474 PolarHBondContact SG-N 2.99Å; C472-L474 VanDerWaalsContact SG-N 3.42Å; L474-H492 VanDerWaalsContact CB-CE1 3.45Å; L474-H492 WeakPolarHBondContact CB-CE1 3.47Å; L474-H492 WeakPolarHBondContact CB-ND1 3.49Å; L474-H492 HydrophobicContact CD1-CB 3.57Å
475	C	77.1	Confident	75.9	Confident	54 Å²	54	77 Å²	77	37%	0.365	41%	0.414	S	S	.	.	S	Bend	trans	-161.7	175.7	170.6	70.3	0	0	0	0	112	C472 F477 H488 H492	C472-C475 WeakPolarHBondContact CB-O 3.43Å; C475-F477 PolarHBondContact O-N 3.42Å; C475-H488 PolarHBondContact SG-CE1 3.17Å; C475-H488 PolarHBondContact SG-NE2 3.03Å; C475-H488 VanDerWaalsContact SG-NE2 3.39Å; C475-H492 VanDerWaalsContact SG-CE1 3.55Å; C475-H492 PolarHBondContact SG-NE2 3.45Å
476	D	78.6	Confident	76.1	Confident	176 Å²	176	75.3 Å²	75.3	94%	0.941	40%	0.404	S	S	*	.	S	Bend	trans	-68.3	22.4	-175.6	-54.3	-37.5	0	0	0	115.9
477	F	80.1	Confident	76.5	Confident	67 Å²	67	69 Å²	69	29%	0.294	38%	0.377	S	S	.	.			trans	-79.4	129.9	178.6	-179.6	-90.9	0	0	0	111.3	C472 C475 E484 H488	C472-F477 HydrophobicContact CB-CB 4.09Å; C472-F477 PolarHBondContact N-O 2.94Å; C475-F477 PolarHBondContact O-N 3.42Å; F477-E484 HydrophobicContact CZ-CB 4.44Å; F477-H488 VanDerWaalsContact CB-CE1 3.48Å; F477-H488 WeakPolarHBondContact CB-CE1 3.5Å; F477-H488 VanDerWaalsContact CB-NE2 3.33Å; F477-H488 WeakPolarHBondContact CB-NE2 3.36Å; F477-H488 HydrophobicContact CD1-CB 3.84Å; F477-H488 AromaticContact CD1-CD2 3.37Å; F477-H488 WeakPolarHBondContact CD1-CD2 3.37Å; F477-H488 AromaticContact CD1-CG 3.4Å; F477-H488 HydrophobicContact CD2-CB 4.45Å; F477-H488 AromaticContact CD2-CG 3.89Å; F477-H488 AromaticContact CD2-ND1 3.74Å; F477-H488 HydrophobicContact CE1-CB 3.64Å; F477-H488 AromaticContact CE1-CG 3.76Å; F477-H488 HydrophobicContact CE2-CB 4.28Å; F477-H488 HydrophobicContact CG-CB 4.24Å; F477-H488 AromaticContact CG-CD2 3.55Å; F477-H488 AromaticContact CG-CE1 3.76Å; F477-H488 AromaticContact CG-CG 3.46Å; F477-H488 VanDerWaalsContact CG-CG 3.46Å; F477-H488 AromaticContact CG-ND1 3.6Å; F477-H488 AromaticContact CG-NE2 3.74Å; F477-H488 HydrophobicContact CZ-CB 3.88Å
478	A	79.9	Confident	76.8	Confident	48 Å²	48	66.6 Å²	66.6	40%	0.397	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	118.2	168.7	0	0	0	0	0	109.5	Y470 F471	Y470-A478 CarbonylContact O-C 3.53Å; Y470-A478 VanDerWaalsContact O-CA 3.26Å; Y470-A478 WeakPolarHBondContact O-CA 3.33Å; F471-A478 HydrophobicContact CD1-CB 3.87Å; F471-A478 HydrophobicContact CE1-CB 3.62Å; F471-A478 HydrophobicContact CG-CB 4.49Å; F471-A478 HydrophobicContact CZ-CB 4.04Å
479	G	79.1	Confident	76.5	Confident	2 Å²	2	64.9 Å²	64.9	2%	0.021	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	145.9	178.8	0	0	0	0	0	111.7	L469 Y470	L469-G479 WeakPolarHBondContact CA-O 3.48Å; Y470-G479 PolarHBondContact N-O 3.14Å; Y470-G479 PolarHBondContact O-N 2.81Å
480	S	78.2	Confident	76.2	Confident	86 Å²	86	64.2 Å²	64.2	60%	0.601	33%	0.332	S	S	*	.	S	Bend	trans	-84.5	-28.3	171.9	34.9	0	0	0	0	112.5	E484	S480-E484 PolarHBondContact N-OE2 3.24Å; S480-E484 PolarHBondContact OG-OE2 3.4Å
481	D	77.8	Confident	75.7	Confident	80 Å²	80	65.3 Å²	65.3	43%	0.428	34%	0.344	S	S	.	.	S	Bend	trans	-109.1	156.7	176.8	176.7	51	0	0	0	112.8	Q483 E484 F485	D481-Q483 WeakPolarHBondContact OD2-CA 3.45Å; D481-Q483 WeakPolarHBondContact OD2-CB 3.11Å; D481-Q483 PolarHBondContact OD2-N 3.34Å; D481-E484 HydrophobicContact CB-CB 4.32Å; D481-E484 HydrophobicContact CB-CG 3.98Å; D481-E484 PolarHBondContact N-OE2 2.87Å; D481-E484 PolarHBondContact OD2-N 2.84Å; D481-F485 WeakPolarHBondContact O-CB 3.45Å; D481-F485 PolarHBondContact O-N 3.4Å; D481-F485 VanDerWaalsContact O-N 3.14Å
482	R	78.3	Confident	75.4	Confident	95 Å²	95	63 Å²	63	36%	0.358	34%	0.335	S	S	.	.	H	α-helix	trans	-76.3	-30.9	178.4	-177.3	168.5	163.8	-173.7	-6.4	112.8	N460 Y470 F485 Q486	N460-R482 PolarHBondContact OD1-NH2 3.37Å; Y470-R482 HydrophobicContact CE1-CB 4.48Å; Y470-R482 HydrophobicContact CE1-CG 4.47Å; Y470-R482 HydrophobicContact CE2-CB 3.88Å; R482-F485 PolarHBondContact O-N 3.31Å; R482-Q486 WeakPolarHBondContact O-CB 3.37Å; R482-Q486 WeakPolarHBondContact O-CG 3.41Å; R482-Q486 PolarHBondContact O-N 3.23Å
483	Q	76.5	Confident	74.6	Confident	102 Å²	102	66.5 Å²	66.5	48%	0.477	35%	0.346	S	S	.	.	H	α-helix	trans	-70.5	-44.7	173.5	-165.8	65.3	55.4	0	0	109.9	D481 F485 Q486 D487	D481-Q483 WeakPolarHBondContact OD2-CA 3.45Å; D481-Q483 WeakPolarHBondContact OD2-CB 3.11Å; D481-Q483 PolarHBondContact OD2-N 3.34Å; Q483-F485 PolarHBondContact O-N 2.81Å; Q483-Q486 PolarHBondContact O-N 2.92Å; Q483-D487 PolarHBondContact NE2-OD1 3.1Å; Q483-D487 WeakPolarHBondContact O-CB 3.1Å; Q483-D487 PolarHBondContact O-N 2.91Å
484	E	78	Confident	73.5	Confident	95 Å²	95	65.9 Å²	65.9	44%	0.444	35%	0.347	S	S	.	.	H	α-helix	trans	-51.4	-43.5	170.1	-67.7	-179.9	142.2	0	0	111.6	F477 S480 D481 H488	F477-E484 HydrophobicContact CZ-CB 4.44Å; S480-E484 PolarHBondContact N-OE2 3.24Å; S480-E484 PolarHBondContact OG-OE2 3.4Å; D481-E484 HydrophobicContact CB-CB 4.32Å; D481-E484 HydrophobicContact CB-CG 3.98Å; D481-E484 PolarHBondContact N-OE2 2.87Å; D481-E484 PolarHBondContact OD2-N 2.84Å; E484-H488 WeakPolarHBondContact O-CB 3.47Å; E484-H488 PolarHBondContact O-N 3.35Å
485	F	79.3	Confident	72	Confident	4 Å²	4	67.4 Å²	67.4	2%	0.018	35%	0.348	C	S	.	.	H	α-helix	trans	-71.2	-39.3	178.7	-179.1	-122.4	0	0	0	114	M462 Y470 F471 C472 D481 R482 Q483 L489	M462-F485 HydrophobicContact CB-CE1 4.08Å; M462-F485 HydrophobicContact CG-CE1 4.28Å; Y470-F485 VanDerWaalsContact CB-CG 3.45Å; Y470-F485 AromaticContact CD1-CD1 3.72Å; Y470-F485 HydrophobicContact CD1-CD1 3.72Å; Y470-F485 HydrophobicContact CD1-CE1 4.09Å; Y470-F485 HydrophobicContact CD1-CG 4.29Å; Y470-F485 HydrophobicContact CD2-CB 4.47Å; Y470-F485 HydrophobicContact CG-CB 4.08Å; Y470-F485 AromaticContact CG-CD1 3.91Å; Y470-F485 HydrophobicContact CG-CD1 3.91Å; Y470-F485 AromaticContact CG-CG 4Å; Y470-F485 HydrophobicContact CG-CG 4Å; F471-F485 VanDerWaalsContact C-CE2 3.47Å; F471-F485 VanDerWaalsContact O-CE2 3.24Å; F471-F485 WeakPolarHBondContact O-CE2 3.41Å; F471-F485 WeakPolarHBondContact O-CZ 3.24Å; C472-F485 HydrophobicContact CB-CE2 4.4Å; D481-F485 WeakPolarHBondContact O-CB 3.45Å; D481-F485 PolarHBondContact O-N 3.4Å; D481-F485 VanDerWaalsContact O-N 3.14Å; R482-F485 PolarHBondContact O-N 3.31Å; Q483-F485 PolarHBondContact O-N 2.81Å; F485-L489 HydrophobicContact CD1-CD1 4.16Å; F485-L489 HydrophobicContact CD2-CG 4.44Å; F485-L489 HydrophobicContact CE1-CD1 3.64Å; F485-L489 HydrophobicContact CE2-CD1 4.02Å; F485-L489 HydrophobicContact CE2-CD2 4.44Å; F485-L489 HydrophobicContact CE2-CG 4.04Å; F485-L489 HydrophobicContact CZ-CD1 3.57Å; F485-L489 HydrophobicContact CZ-CD2 4.49Å; F485-L489 HydrophobicContact CZ-CG 4.1Å; F485-L489 WeakPolarHBondContact O-CB 3.45Å; F485-L489 WeakPolarHBondContact O-CG 3.46Å; F485-L489 PolarHBondContact O-N 3.22Å
486	Q	74	Confident	70.2	Confident	34 Å²	34	71.9 Å²	71.9	16%	0.159	36%	0.361	C	S	.	.	H	α-helix	trans	-68.5	-47	175.5	-79.4	-179.3	-40	0	0	111.3	T459 R482 Q483 H488 L489 L490	T459-Q486 HydrophobicContact CG2-CG 4.22Å; T459-Q486 PolarHBondContact OG1-NE2 3.35Å; R482-Q486 WeakPolarHBondContact O-CB 3.37Å; R482-Q486 WeakPolarHBondContact O-CG 3.41Å; R482-Q486 PolarHBondContact O-N 3.23Å; Q483-Q486 PolarHBondContact O-N 2.92Å; Q486-H488 VanDerWaalsContact C-N 3.25Å; Q486-H488 PolarHBondContact O-N 2.68Å; Q486-L489 PolarHBondContact O-N 3Å; Q486-L489 VanDerWaalsContact O-N 3.12Å; Q486-L490 WeakPolarHBondContact O-CB 3.45Å; Q486-L490 VanDerWaalsContact O-CG 3.25Å; Q486-L490 WeakPolarHBondContact O-CG 3.34Å; Q486-L490 PolarHBondContact O-N 3.5Å
487	D	73.9	Confident	68.2	Low	82 Å²	82	66 Å²	66	44%	0.439	33%	0.332	S	S	.	.	H	α-helix	trans	-60.3	-37.8	175.4	-69.4	4.8	0	0	0	111	Q483 L490 S491	Q483-D487 PolarHBondContact NE2-OD1 3.1Å; Q483-D487 WeakPolarHBondContact O-CB 3.1Å; Q483-D487 PolarHBondContact O-N 2.91Å; D487-L490 PolarHBondContact O-N 2.95Å; D487-S491 PolarHBondContact O-N 3.46Å
488	H	77	Confident	66.1	Low	26 Å²	26	71 Å²	71	12%	0.12	36%	0.362	C	S	.	.	H	α-helix	trans	-65.8	-45.8	171.8	175.5	66	0	0	0	112.8	C472 C475 F477 E484 Q486 L490 S491 H492	C472-H488 WeakPolarHBondContact CB-NE2 3.47Å; C472-H488 PolarHBondContact SG-NE2 3.14Å; C475-H488 PolarHBondContact SG-CE1 3.17Å; C475-H488 PolarHBondContact SG-NE2 3.03Å; C475-H488 VanDerWaalsContact SG-NE2 3.39Å; F477-H488 VanDerWaalsContact CB-CE1 3.48Å; F477-H488 WeakPolarHBondContact CB-CE1 3.5Å; F477-H488 VanDerWaalsContact CB-NE2 3.33Å; F477-H488 WeakPolarHBondContact CB-NE2 3.36Å; F477-H488 HydrophobicContact CD1-CB 3.84Å; F477-H488 AromaticContact CD1-CD2 3.37Å; F477-H488 WeakPolarHBondContact CD1-CD2 3.37Å; F477-H488 AromaticContact CD1-CG 3.4Å; F477-H488 HydrophobicContact CD2-CB 4.45Å; F477-H488 AromaticContact CD2-CG 3.89Å; F477-H488 AromaticContact CD2-ND1 3.74Å; F477-H488 HydrophobicContact CE1-CB 3.64Å; F477-H488 AromaticContact CE1-CG 3.76Å; F477-H488 HydrophobicContact CE2-CB 4.28Å; F477-H488 HydrophobicContact CG-CB 4.24Å; F477-H488 AromaticContact CG-CD2 3.55Å; F477-H488 AromaticContact CG-CE1 3.76Å; F477-H488 AromaticContact CG-CG 3.46Å; F477-H488 VanDerWaalsContact CG-CG 3.46Å; F477-H488 AromaticContact CG-ND1 3.6Å; F477-H488 AromaticContact CG-NE2 3.74Å; F477-H488 HydrophobicContact CZ-CB 3.88Å; E484-H488 WeakPolarHBondContact O-CB 3.47Å; E484-H488 PolarHBondContact O-N 3.35Å; Q486-H488 VanDerWaalsContact C-N 3.25Å; Q486-H488 PolarHBondContact O-N 2.68Å; H488-L490 VanDerWaalsContact C-N 3.28Å; H488-L490 PolarHBondContact O-N 3.26Å; H488-S491 WeakPolarHBondContact O-CA 3.44Å; H488-S491 VanDerWaalsContact O-CB 3.3Å; H488-S491 WeakPolarHBondContact O-CB 3.43Å; H488-S491 PolarHBondContact O-N 2.93Å; H488-S491 PolarHBondContact O-OG 3.39Å; H488-H492 AromaticContact CD2-NE2 3.97Å; H488-H492 AromaticContact CE1-CD2 3.93Å; H488-H492 AromaticContact CE1-NE2 3.26Å; H488-H492 PolarHBondContact CE1-NE2 2.94Å; H488-H492 VanDerWaalsContact CE1-NE2 3.26Å; H488-H492 AromaticContact NE2-CD2 3.57Å; H488-H492 AromaticContact NE2-NE2 2.95Å; H488-H492 PolarHBondContact NE2-NE2 3.16Å; H488-H492 PolarHBondContact O-CD2 3.3Å
489	L	70.2	Confident	64.2	Low	1 Å²	1	76 Å²	76	1%	0.005	37%	0.374	C	S	.	.	H	α-helix	trans	-60.7	-39.3	175.4	-79.2	173.7	0	0	0	111.5	F455 T459 F485 Q486 S491 H492 Y493	F455-L489 HydrophobicContact CE2-CB 4.25Å; F455-L489 HydrophobicContact CZ-CB 3.97Å; T459-L489 HydrophobicContact CG2-CD1 3.64Å; F485-L489 HydrophobicContact CD1-CD1 4.16Å; F485-L489 HydrophobicContact CD2-CG 4.44Å; F485-L489 HydrophobicContact CE1-CD1 3.64Å; F485-L489 HydrophobicContact CE2-CD1 4.02Å; F485-L489 HydrophobicContact CE2-CD2 4.44Å; F485-L489 HydrophobicContact CE2-CG 4.04Å; F485-L489 HydrophobicContact CZ-CD1 3.57Å; F485-L489 HydrophobicContact CZ-CD2 4.49Å; F485-L489 HydrophobicContact CZ-CG 4.1Å; F485-L489 WeakPolarHBondContact O-CB 3.45Å; F485-L489 WeakPolarHBondContact O-CG 3.46Å; F485-L489 PolarHBondContact O-N 3.22Å; Q486-L489 PolarHBondContact O-N 3Å; Q486-L489 VanDerWaalsContact O-N 3.12Å; L489-S491 PolarHBondContact O-N 3.26Å; L489-S491 VanDerWaalsContact O-N 3.16Å; L489-H492 WeakPolarHBondContact O-CB 3.18Å; L489-H492 PolarHBondContact O-N 2.95Å; L489-Y493 WeakPolarHBondContact O-CD2 3.15Å
490	L	71.8	Confident	62.4	Low	47 Å²	47	77.2 Å²	77.2	25%	0.246	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-12.4	172.9	-65.5	170.2	0	0	0	113.5	F455 Q486 D487 H488 Y495	F455-L490 HydrophobicContact CD1-CD2 4.25Å; F455-L490 HydrophobicContact CE1-CD2 3.5Å; F455-L490 HydrophobicContact CE1-CG 3.96Å; F455-L490 HydrophobicContact CE2-CD2 4.29Å; F455-L490 HydrophobicContact CZ-CD2 3.53Å; F455-L490 HydrophobicContact CZ-CG 3.85Å; Q486-L490 WeakPolarHBondContact O-CB 3.45Å; Q486-L490 VanDerWaalsContact O-CG 3.25Å; Q486-L490 WeakPolarHBondContact O-CG 3.34Å; Q486-L490 PolarHBondContact O-N 3.5Å; D487-L490 PolarHBondContact O-N 2.95Å; H488-L490 VanDerWaalsContact C-N 3.28Å; H488-L490 PolarHBondContact O-N 3.26Å; L490-Y495 HydrophobicContact CD2-CE2 3.95Å
491	S	68.6	Low	60.4	Low	55 Å²	55	78.3 Å²	78.3	39%	0.385	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-15.5	168.4	79.9	0	0	0	0	114	D487 H488 L489 H505	D487-S491 PolarHBondContact O-N 3.46Å; H488-S491 WeakPolarHBondContact O-CA 3.44Å; H488-S491 VanDerWaalsContact O-CB 3.3Å; H488-S491 WeakPolarHBondContact O-CB 3.43Å; H488-S491 PolarHBondContact O-N 2.93Å; H488-S491 PolarHBondContact O-OG 3.39Å; L489-S491 PolarHBondContact O-N 3.26Å; L489-S491 VanDerWaalsContact O-N 3.16Å; S491-H505 PolarHBondContact O-CE1 3.44Å
492	H	67.9	Low	58.2	Low	64 Å²	64	81.5 Å²	81.5	30%	0.296	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-22.8	171.7	-68.1	-85.7	0	0	0	113.3	C472 L474 C475 H488 L489	C472-H492 PolarHBondContact SG-NE2 3.39Å; C472-H492 VanDerWaalsContact SG-NE2 3.44Å; L474-H492 VanDerWaalsContact CB-CE1 3.45Å; L474-H492 WeakPolarHBondContact CB-CE1 3.47Å; L474-H492 WeakPolarHBondContact CB-ND1 3.49Å; L474-H492 HydrophobicContact CD1-CB 3.57Å; C475-H492 VanDerWaalsContact SG-CE1 3.55Å; C475-H492 PolarHBondContact SG-NE2 3.45Å; H488-H492 AromaticContact CD2-NE2 3.97Å; H488-H492 AromaticContact CE1-CD2 3.93Å; H488-H492 AromaticContact CE1-NE2 3.26Å; H488-H492 PolarHBondContact CE1-NE2 2.94Å; H488-H492 VanDerWaalsContact CE1-NE2 3.26Å; H488-H492 AromaticContact NE2-CD2 3.57Å; H488-H492 AromaticContact NE2-NE2 2.95Å; H488-H492 PolarHBondContact NE2-NE2 3.16Å; H488-H492 PolarHBondContact O-CD2 3.3Å; L489-H492 WeakPolarHBondContact O-CB 3.18Å; L489-H492 PolarHBondContact O-N 2.95Å
493	Y	58.2	Low	56.2	Low	87 Å²	87	79.4 Å²	79.4	34%	0.341	39%	0.386	S	S	.	.	S	Bend	trans	-100	108.4	-178.2	-63.2	-74.9	0	0	0	111.5	F455 L489 Y495	F455-Y493 HydrophobicContact CD2-CD2 4.27Å; F455-Y493 HydrophobicContact CD2-CE2 4.23Å; F455-Y493 AromaticContact CE2-CD2 3.67Å; F455-Y493 HydrophobicContact CE2-CD2 3.67Å; F455-Y493 AromaticContact CE2-CE2 3.68Å; F455-Y493 HydrophobicContact CE2-CE2 3.68Å; L489-Y493 WeakPolarHBondContact O-CD2 3.15Å; Y493-Y495 PolarHBondContact O-N 3.39Å; Y493-Y495 VanDerWaalsContact O-N 3.08Å
494	D	47.8	Very low	54.4	Low	96 Å²	96	75.8 Å²	75.8	51%	0.513	37%	0.372	S	S	.	.			trans	-65	101.3	-178.9	-118	-31.1	0	0	0	111.7	K496 T503	D494-K496 PolarHBondContact O-N 2.87Å; D494-T503 HydrophobicContact CB-CG2 3.81Å; D494-T503 VanDerWaalsContact CG-CB 3.47Å; D494-T503 VanDerWaalsContact CG-OG1 3.3Å; D494-T503 WeakPolarHBondContact OD1-CB 3.49Å; D494-T503 PolarHBondContact OD1-OG1 3.48Å
495	Y	40.4	Very low	52.4	Low	115 Å²	115	75.9 Å²	75.9	45%	0.451	37%	0.372	S	S	.	.			trans	-66.2	93.3	174.9	-89.6	-74.1	0	0	0	111.3	L490 Y493 C497 T503 S504	L490-Y495 HydrophobicContact CD2-CE2 3.95Å; Y493-Y495 PolarHBondContact O-N 3.39Å; Y493-Y495 VanDerWaalsContact O-N 3.08Å; Y495-C497 PolarHBondContact O-N 2.87Å; Y495-T503 VanDerWaalsContact O-CA 3.32Å; Y495-T503 WeakPolarHBondContact O-CA 3.48Å; Y495-S504 PolarHBondContact O-N 2.96Å; Y495-S504 VanDerWaalsContact O-N 3.08Å
496	K	39.2	Very low	50.2	Low	148 Å²	148	84.5 Å²	84.5	64%	0.643	41%	0.41	S	S	*	.	B	Isolated β-bridge	trans	-72.7	122.1	179.2	-167	175.1	-176.5	177.9	0	111.7	D494 L498 T503	D494-K496 PolarHBondContact O-N 2.87Å; K496-L498 PolarHBondContact O-N 3.12Å; K496-T503 HydrophobicContact CB-CG2 4.03Å; K496-T503 HydrophobicContact CG-CG2 4.24Å
497	C	35.9	Very low	48.1	Very low	51 Å²	51	90.7 Å²	90.7	35%	0.345	44%	0.439	S	S	.	.			trans	-66.4	118.6	176.8	176.9	0	0	0	0	111.4	Y495 K499 C500 Y502	Y495-C497 PolarHBondContact O-N 2.87Å; C497-K499 PolarHBondContact O-N 2.95Å; C497-K499 PolarHBondContact SG-N 3.35Å; C497-C500 WeakPolarHBondContact CB-O 3.36Å; C497-C500 PolarHBondContact O-N 2.86Å; C497-Y502 WeakPolarHBondContact CB-O 3.45Å; C497-Y502 PolarHBondContact N-O 2.83Å
498	L	37	Very low	46.2	Very low	173 Å²	173	91.4 Å²	91.4	91%	0.906	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	5.5	175.5	-68.8	164.5	0	0	0	114.9	K496	K496-L498 PolarHBondContact O-N 3.12Å
499	K	39	Very low	44.2	Very low	152 Å²	152	97.3 Å²	97.3	66%	0.661	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.3	-7.9	-177.2	-64.7	-179.5	-178.7	173.8	0	114.7	C497 R677	C497-K499 PolarHBondContact O-N 2.95Å; C497-K499 PolarHBondContact SG-N 3.35Å; K499-R677 WeakPolarHBondContact O-CD 3.25Å; K499-R677 PolarHBondContact O-NH1 2.97Å
500	C	41	Very low	42.2	Very low	28 Å²	28	103.3 Å²	103.3	19%	0.189	52%	0.519	C	S	.	.	S	Bend	trans	-169.9	160.4	168.8	54.3	0	0	0	0	109.5	C497 Y502	C497-C500 WeakPolarHBondContact CB-O 3.36Å; C497-C500 PolarHBondContact O-N 2.86Å; C500-Y502 PolarHBondContact O-N 3.17Å
501	D	36.4	Very low	40.3	Very low	110 Å²	110	106.4 Å²	106.4	59%	0.588	54%	0.542	S	S	*	.	S	Bend	trans	-69.4	21.1	-172.2	-39.5	-73.8	0	0	0	115.7
502	Y	32.5	Very low	38.6	Very low	146 Å²	146	110 Å²	110	57%	0.573	56%	0.564	S	S	*	*			trans	-85.1	114.3	176.8	-172.5	-108.8	0	0	0	109.1	C497 C500	C497-Y502 WeakPolarHBondContact CB-O 3.45Å; C497-Y502 PolarHBondContact N-O 2.83Å; C500-Y502 PolarHBondContact O-N 3.17Å
503	T	34.7	Very low	36.6	Very low	51 Å²	51	115.1 Å²	115.1	31%	0.313	59%	0.588	S	S	.	*	B	Isolated β-bridge	trans	-84.5	150	162	62.5	0	0	0	0	109.4	D494 Y495 K496	D494-T503 HydrophobicContact CB-CG2 3.81Å; D494-T503 VanDerWaalsContact CG-CB 3.47Å; D494-T503 VanDerWaalsContact CG-OG1 3.3Å; D494-T503 WeakPolarHBondContact OD1-CB 3.49Å; D494-T503 PolarHBondContact OD1-OG1 3.48Å; Y495-T503 VanDerWaalsContact O-CA 3.32Å; Y495-T503 WeakPolarHBondContact O-CA 3.48Å; K496-T503 HydrophobicContact CB-CG2 4.03Å; K496-T503 HydrophobicContact CG-CG2 4.24Å
504	S	38.7	Very low	35.2	Very low	26 Å²	26	118 Å²	118	18%	0.182	61%	0.609	C	S	.	*			trans	-153.7	117.9	178.6	61.8	0	0	0	0	114	Y495 F506	Y495-S504 PolarHBondContact O-N 2.96Å; Y495-S504 VanDerWaalsContact O-N 3.08Å; S504-F506 PolarHBondContact O-N 3.07Å
505	H	37.5	Very low	34.3	Very low	97 Å²	97	123 Å²	123	45%	0.449	63%	0.627	S	S	.	*	S	Bend	trans	-68.9	118.2	153.5	-42	-72	0	0	0	108.2	S491	S491-H505 PolarHBondContact O-CE1 3.44Å
506	F	32.7	Very low	34	Very low	185 Å²	185	122.9 Å²	122.9	81%	0.811	64%	0.643	S	S	*	*	S	Bend	trans	67.3	153.4	179.4	-55.8	-86.4	0	0	0	117.2	S504	S504-F506 PolarHBondContact O-N 3.07Å
507	H	29.4	Very low	33.5	Very low	165 Å²	165	118.7 Å²	118.7	76%	0.764	64%	0.642	S	S	*	*			trans	-139.4	159.9	-171.6	-162.1	-79.2	0	0	0	109.3
508	S	33.3	Very low	33.5	Very low	97 Å²	97	126.2 Å²	126.2	68%	0.678	67%	0.669	S	S	*	*			trans	76	143.8	-170.6	81	0	0	0	0	114.7
509	D	34.9	Very low	33.3	Very low	150 Å²	150	124.5 Å²	124.5	80%	0.802	67%	0.666	S	S	*	*			cis	-151.1	179.4	-3.8	-124.8	-17.7	0	0	0	114.7
510	V	29.9	Very low	32.9	Very low	126 Å²	126	125 Å²	125	76%	0.764	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-86.2	134.7	-164.2	-177.9	0	0	0	0	115.2
511	P	30.3	Very low	32.8	Very low	112 Å²	112	134 Å²	134	73%	0.727	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-78.7	135.3	170.7	-11.7	28.2	0	0	0	113.6
512	P	34.4	Very low	32.4	Very low	130 Å²	130	134.2 Å²	134.2	84%	0.844	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-83.1	165.3	-178	33.3	-36.4	0	0	0	114.8
513	E	25.3	Very low	32.5	Very low	172 Å²	172	134.6 Å²	134.6	80%	0.804	73%	0.725	S	S	*	*			trans	-89.9	175.3	-176	-57.5	-167.7	133.3	0	0	114.6
514	N	28.7	Very low	32.5	Very low	148 Å²	148	141.4 Å²	141.4	79%	0.791	75%	0.745	S	S	*	*			trans	80.6	97.8	168.8	-54.3	-67.4	0	0	0	118.2
515	F	29.7	Very low	32.5	Very low	200 Å²	200	144.8 Å²	144.8	88%	0.877	77%	0.768	S	S	*	*			trans	-149.5	108.9	141.2	-134.3	-87.9	0	0	0	111.7
516	S	33.5	Very low	33.4	Very low	113 Å²	113	148.8 Å²	148.8	79%	0.79	78%	0.784	S	S	*	*			trans	-79.9	174.5	172.4	60.5	0	0	0	0	110.7
517	G	29.6	Very low	35.3	Very low	61 Å²	61	143.8 Å²	143.8	63%	0.629	77%	0.765	S	S	*	*			trans	-165.1	165.4	-178.9	0	0	0	0	0	115.1
518	K	34.9	Very low	37.6	Very low	208 Å²	208	138.8 Å²	138.8	90%	0.904	74%	0.743	S	S	*	*			trans	-174.5	161.6	172.5	-93.6	143.5	-175.2	-177.4	0	104.8
519	T	32.6	Very low	39.9	Very low	137 Å²	137	141.3 Å²	141.3	84%	0.84	74%	0.737	S	S	*	*			cis	-134.2	179.6	22.5	45.3	0	0	0	0	113
520	I	31.1	Very low	42.4	Very low	162 Å²	162	134.5 Å²	134.5	83%	0.831	70%	0.701	S	S	*	*			trans	-90.6	146.4	179.4	-60.8	152.3	0	0	0	110.5
521	R	38	Very low	44.9	Very low	217 Å²	217	138.7 Å²	138.7	82%	0.819	71%	0.709	S	S	*	*			trans	-145.2	104.2	153.5	-81	-159.7	174	171.8	-0.2	114.2
522	S	29.6	Very low	47.4	Very low	116 Å²	116	139.3 Å²	139.3	81%	0.811	70%	0.702	S	S	*	*			trans	51.4	149.7	143.1	-144	0	0	0	0	122.7
523	I	33.5	Very low	49.9	Very low	154 Å²	154	135.4 Å²	135.4	79%	0.79	68%	0.678	S	S	*	*			trans	-69.4	134.5	176.9	-59.2	160.7	0	0	0	110.5
524	R	35.4	Very low	52.8	Low	194 Å²	194	134.7 Å²	134.7	73%	0.732	68%	0.68	S	S	*	*			trans	-168.6	-179.9	153.2	-104.7	148.9	-165.5	-158.2	-0.7	109.4	H875	R524-H875 PolarHBondContact NH2-NE2 2.94Å
525	S	38.2	Very low	55.6	Low	96 Å²	96	130.9 Å²	130.9	67%	0.671	66%	0.656	S	S	*	*	S	Bend	trans	-47.4	168.2	-178.1	-41	0	0	0	0	114.1	L527	S525-L527 PolarHBondContact O-N 3.34Å
526	K	56.6	Low	58.3	Low	181 Å²	181	124 Å²	124	79%	0.787	63%	0.63	S	S	*	*	S	Bend	trans	-68	41.6	-170.7	-158.6	-179.3	-177.5	172.6	0	115.7	Q528	K526-Q528 PolarHBondContact O-NE2 3.37Å
527	L	73.6	Confident	60.8	Low	80 Å²	80	119 Å²	119	42%	0.419	60%	0.595	S	S	.	*			trans	-70.3	129.1	-177.4	-62.1	169.1	0	0	0	111.1	S525 R529 V536 T537 D538	S525-L527 PolarHBondContact O-N 3.34Å; L527-R529 PolarHBondContact O-N 3.42Å; L527-V536 HydrophobicContact CB-CG1 3.57Å; L527-V536 HydrophobicContact CD1-CG1 4.02Å; L527-V536 HydrophobicContact CD2-CG1 4.26Å; L527-V536 HydrophobicContact CG-CG1 4.16Å; L527-T537 CarbonylContact C-O 3.51Å; L527-T537 VanDerWaalsContact CA-O 3.23Å; L527-T537 WeakPolarHBondContact CA-O 3.28Å; L527-D538 HydrophobicContact CD2-CB 3.92Å
528	Q	77.5	Confident	63.4	Low	61 Å²	61	119.7 Å²	119.7	29%	0.285	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.1	107	174.2	-50.9	-52.2	-67	0	0	108.9	K526 V536 T537 F543	K526-Q528 PolarHBondContact O-NE2 3.37Å; Q528-V536 WeakPolarHBondContact O-CA 3.3Å; Q528-T537 HydrophobicContact CB-CG2 4.32Å; Q528-T537 PolarHBondContact N-O 2.87Å; Q528-T537 PolarHBondContact O-N 2.6Å; Q528-F543 HydrophobicContact CB-CB 3.7Å; Q528-F543 HydrophobicContact CB-CD1 4.4Å; Q528-F543 HydrophobicContact CB-CD2 3.58Å; Q528-F543 HydrophobicContact CB-CE2 4.29Å; Q528-F543 HydrophobicContact CB-CG 3.64Å; Q528-F543 HydrophobicContact CG-CB 4.22Å; Q528-F543 HydrophobicContact CG-CG 4.37Å
529	R	81.3	Confident	65.7	Low	149 Å²	149	111.8 Å²	111.8	56%	0.562	55%	0.553	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.8	136.5	175.6	176.1	178.3	-68.4	149.5	5.2	111.1	L527 F535 V536	L527-R529 PolarHBondContact O-N 3.42Å; R529-F535 WeakPolarHBondContact CA-O 3.48Å; R529-V536 HydrophobicContact CB-CG2 3.96Å; R529-V536 HydrophobicContact CG-CG2 3.94Å
530	C	86.1	Confident	68.1	Low	7 Å²	7	111.9 Å²	111.9	5%	0.047	54%	0.542	C	S	.	.			trans	-68	146.3	170.3	-171	0	0	0	0	112.4	Q532 F535 H546 H550	C530-Q532 PolarHBondContact SG-N 3.3Å; C530-Q532 VanDerWaalsContact SG-N 3.37Å; C530-F535 HydrophobicContact CB-CB 4.25Å; C530-F535 PolarHBondContact N-O 2.91Å; C530-H546 WeakPolarHBondContact CB-NE2 3.45Å; C530-H546 PolarHBondContact SG-NE2 3.1Å; C530-H550 PolarHBondContact SG-CD2 2.95Å; C530-H550 PolarHBondContact SG-NE2 3.22Å
531	K	82.7	Confident	70.6	Confident	214 Å²	214	108.3 Å²	108.3	93%	0.93	53%	0.525	S	S	*	.	S	Bend	trans	-86.1	-10.7	175.7	-66.4	-179.9	-177.2	171.6	0	113.8
532	Q	82.6	Confident	73	Confident	125 Å²	125	101.1 Å²	101.1	58%	0.584	50%	0.5	S	S	*	.	S	Bend	trans	-116.5	-8.7	-173.2	-66.5	-171.1	19.4	0	0	113.6	C530 H550	C530-Q532 PolarHBondContact SG-N 3.3Å; C530-Q532 VanDerWaalsContact SG-N 3.37Å; Q532-H550 VanDerWaalsContact CB-CE1 3.44Å; Q532-H550 WeakPolarHBondContact CB-CE1 3.37Å; Q532-H550 WeakPolarHBondContact CB-ND1 3.26Å; Q532-H550 PolarHBondContact OE1-ND1 3.07Å
533	C	87.2	Confident	75.8	Confident	49 Å²	49	97.2 Å²	97.2	33%	0.331	47%	0.469	S	S	.	.	S	Bend	trans	-156.1	177	168.8	74.3	0	0	0	0	110.7	F535 H546 H550	C533-F535 PolarHBondContact O-N 3Å; C533-F535 VanDerWaalsContact O-N 3.17Å; C533-F535 VanDerWaalsContact SG-CB 3.56Å; C533-F535 PolarHBondContact SG-N 2.91Å; C533-F535 VanDerWaalsContact SG-N 3.44Å; C533-H546 PolarHBondContact SG-CE1 3.48Å; C533-H550 PolarHBondContact SG-NE2 3.03Å
534	D	87.3	Confident	78.5	Confident	157 Å²	157	93 Å²	93	84%	0.84	44%	0.443	S	S	*	.	S	Bend	trans	-76.4	10.1	-178.7	-60.4	-64.5	0	0	0	115.3	V536	D534-V536 PolarHBondContact O-N 2.81Å
535	F	86.8	Confident	81	Confident	68 Å²	68	90.2 Å²	90.2	30%	0.298	43%	0.433	S	S	.	.			trans	-63.9	134.5	177.3	-177.2	-93.8	0	0	0	112.2	R529 C530 C533 T537 H546	R529-F535 WeakPolarHBondContact CA-O 3.48Å; C530-F535 HydrophobicContact CB-CB 4.25Å; C530-F535 PolarHBondContact N-O 2.91Å; C533-F535 PolarHBondContact O-N 3Å; C533-F535 VanDerWaalsContact O-N 3.17Å; C533-F535 VanDerWaalsContact SG-CB 3.56Å; C533-F535 PolarHBondContact SG-N 2.91Å; C533-F535 VanDerWaalsContact SG-N 3.44Å; F535-T537 HydrophobicContact CE1-CG2 3.6Å; F535-T537 HydrophobicContact CZ-CG2 4.16Å; F535-H546 WeakPolarHBondContact CB-CE1 3.46Å; F535-H546 HydrophobicContact CD1-CB 3.68Å; F535-H546 AromaticContact CD1-CD2 3.33Å; F535-H546 WeakPolarHBondContact CD1-CD2 3.3Å; F535-H546 AromaticContact CD1-CG 3.22Å; F535-H546 AromaticContact CD1-ND1 3.7Å; F535-H546 AromaticContact CD1-NE2 3.87Å; F535-H546 AromaticContact CD2-ND1 3.87Å; F535-H546 HydrophobicContact CE1-CB 3.44Å; F535-H546 VanDerWaalsContact CE1-CB 3.44Å; F535-H546 AromaticContact CE1-CG 3.57Å; F535-H546 HydrophobicContact CE2-CB 4.47Å; F535-H546 HydrophobicContact CG-CB 4.28Å; F535-H546 AromaticContact CG-CD2 3.79Å; F535-H546 AromaticContact CG-CE1 3.69Å; F535-H546 AromaticContact CG-CG 3.54Å; F535-H546 AromaticContact CG-ND1 3.47Å; F535-H546 WeakPolarHBondContact CG-ND1 3.37Å; F535-H546 AromaticContact CG-NE2 3.88Å; F535-H546 HydrophobicContact CZ-CB 3.89Å
536	V	85.9	Confident	83.4	Confident	54 Å²	54	86.3 Å²	86.3	33%	0.327	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	134.3	-179.4	-176.8	0	0	0	0	109.1	L527 Q528 R529 D534	L527-V536 HydrophobicContact CB-CG1 3.57Å; L527-V536 HydrophobicContact CD1-CG1 4.02Å; L527-V536 HydrophobicContact CD2-CG1 4.26Å; L527-V536 HydrophobicContact CG-CG1 4.16Å; Q528-V536 WeakPolarHBondContact O-CA 3.3Å; R529-V536 HydrophobicContact CB-CG2 3.96Å; R529-V536 HydrophobicContact CG-CG2 3.94Å; D534-V536 PolarHBondContact O-N 2.81Å
537	T	86.8	Confident	84.9	Confident	8 Å²	8	79.1 Å²	79.1	5%	0.049	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	158.2	175.3	172.4	0	0	0	0	109.8	L527 Q528 F535 T539 E542 F543	L527-T537 CarbonylContact C-O 3.51Å; L527-T537 VanDerWaalsContact CA-O 3.23Å; L527-T537 WeakPolarHBondContact CA-O 3.28Å; Q528-T537 HydrophobicContact CB-CG2 4.32Å; Q528-T537 PolarHBondContact N-O 2.87Å; Q528-T537 PolarHBondContact O-N 2.6Å; F535-T537 HydrophobicContact CE1-CG2 3.6Å; F535-T537 HydrophobicContact CZ-CG2 4.16Å; T537-T539 VanDerWaalsContact CG2-O 3.32Å; T537-T539 WeakPolarHBondContact CG2-O 3.5Å; T537-T539 PolarHBondContact OG1-N 3.1Å; T537-T539 VanDerWaalsContact OG1-N 3.17Å; T537-T539 PolarHBondContact OG1-OG1 3.08Å; T537-E542 HydrophobicContact CG2-CB 3.91Å; T537-E542 PolarHBondContact OG1-OE2 2.9Å; T537-F543 HydrophobicContact CG2-CB 3.82Å
538	D	83.3	Confident	85.7	Confident	76 Å²	76	79.4 Å²	79.4	41%	0.406	37%	0.369	S	S	.	.	S	Bend	trans	-82.7	-23.6	171	68.8	-46.6	0	0	0	113.2	L527 R1134	L527-D538 HydrophobicContact CD2-CB 3.92Å; D538-R1134 IonicContact OD2-CZ 3.48Å; D538-R1134 IonicContact OD2-NH1 2.65Å; D538-R1134 PolarHBondContact OD2-NH1 2.93Å; D538-R1134 IonicContact OD2-NH2 2.67Å; D538-R1134 PolarHBondContact OD2-NH2 3.38Å
539	T	82.7	Confident	86.2	Confident	42 Å²	42	82.7 Å²	82.7	26%	0.258	39%	0.387	S	S	.	.	S	Bend	trans	-93.7	153.5	-176.3	73	0	0	0	0	113	T537 E542	T537-T539 VanDerWaalsContact CG2-O 3.32Å; T537-T539 WeakPolarHBondContact CG2-O 3.5Å; T537-T539 PolarHBondContact OG1-N 3.1Å; T537-T539 VanDerWaalsContact OG1-N 3.17Å; T537-T539 PolarHBondContact OG1-OG1 3.08Å; T539-E542 VanDerWaalsContact OG1-CB 3.26Å; T539-E542 WeakPolarHBondContact OG1-CB 3.46Å; T539-E542 WeakPolarHBondContact OG1-CG 3.3Å; T539-E542 PolarHBondContact OG1-N 3.23Å
540	K	83.1	Confident	86.5	Confident	139 Å²	139	77.4 Å²	77.4	60%	0.604	37%	0.369	S	S	*	.	H	α-helix	trans	-74.3	-39.2	175	-69.7	179.6	-178.9	173.7	0	111.9	F543 W544	K540-F543 WeakPolarHBondContact O-CB 3.47Å; K540-F543 PolarHBondContact O-N 2.81Å; K540-F543 VanDerWaalsContact O-N 3.12Å; K540-W544 PolarHBondContact O-N 3.16Å
541	D	85	Confident	86.5	Confident	87 Å²	87	77.7 Å²	77.7	47%	0.465	37%	0.37	S	S	.	.	H	α-helix	trans	-74.6	-32.3	-169.2	-53.9	-70	0	0	0	111.7	R545 C563	D541-R545 WeakPolarHBondContact O-CB 3.48Å; D541-R545 PolarHBondContact O-N 3.13Å; D541-C563 HydrophobicContact CB-CB 4.16Å
542	E	87.7	Confident	86.6	Confident	66 Å²	66	75 Å²	75	31%	0.308	36%	0.358	S	S	.	.	H	α-helix	trans	-67.1	-36	166.7	-69.1	-162	126	0	0	113.2	T537 T539 R545 H546	T537-E542 HydrophobicContact CG2-CB 3.91Å; T537-E542 PolarHBondContact OG1-OE2 2.9Å; T539-E542 VanDerWaalsContact OG1-CB 3.26Å; T539-E542 WeakPolarHBondContact OG1-CB 3.46Å; T539-E542 WeakPolarHBondContact OG1-CG 3.3Å; T539-E542 PolarHBondContact OG1-N 3.23Å; E542-R545 PolarHBondContact O-N 3.22Å; E542-R545 IonicContact OE1-CZ 3.62Å; E542-R545 IonicContact OE1-NH2 3.57Å; E542-R545 PolarHBondContact OE1-NH2 3.3Å; E542-H546 WeakPolarHBondContact O-CB 3.44Å; E542-H546 PolarHBondContact O-N 2.85Å
543	F	89.3	Confident	86.7	Confident	35 Å²	35	75.5 Å²	75.5	15%	0.154	36%	0.361	C	S	.	.	H	α-helix	trans	-65.5	-44	176.9	171.7	-98.4	0	0	0	111.4	Q528 T537 K540 H546 L547	Q528-F543 HydrophobicContact CB-CB 3.7Å; Q528-F543 HydrophobicContact CB-CD1 4.4Å; Q528-F543 HydrophobicContact CB-CD2 3.58Å; Q528-F543 HydrophobicContact CB-CE2 4.29Å; Q528-F543 HydrophobicContact CB-CG 3.64Å; Q528-F543 HydrophobicContact CG-CB 4.22Å; Q528-F543 HydrophobicContact CG-CG 4.37Å; T537-F543 HydrophobicContact CG2-CB 3.82Å; K540-F543 WeakPolarHBondContact O-CB 3.47Å; K540-F543 PolarHBondContact O-N 2.81Å; K540-F543 VanDerWaalsContact O-N 3.12Å; F543-H546 PolarHBondContact O-N 3.23Å; F543-L547 HydrophobicContact CD1-CD1 4.03Å; F543-L547 HydrophobicContact CE1-CD1 3.46Å; F543-L547 VanDerWaalsContact CE1-CD1 3.46Å; F543-L547 HydrophobicContact CE1-CG 4.34Å; F543-L547 HydrophobicContact CE2-CD1 4.41Å; F543-L547 HydrophobicContact CZ-CD1 3.69Å; F543-L547 HydrophobicContact CZ-CG 4.26Å; F543-L547 WeakPolarHBondContact O-CG 3.1Å; F543-L547 PolarHBondContact O-N 2.8Å
544	W	89.3	Confident	86.5	Confident	65 Å²	65	79.5 Å²	79.5	25%	0.246	38%	0.379	C	S	.	.	H	α-helix	trans	-67.8	-40.4	173.1	-58.9	119.2	0	0	0	112.3	K540 H546 L547 C563 F564 I565	K540-W544 PolarHBondContact O-N 3.16Å; W544-H546 VanDerWaalsContact C-N 3.26Å; W544-H546 PolarHBondContact O-N 3.09Å; W544-L547 HydrophobicContact CE3-CD1 3.59Å; W544-L547 HydrophobicContact CZ3-CD1 3.69Å; W544-L547 PolarHBondContact O-N 3.11Å; W544-C563 HydrophobicContact CB-CB 4.46Å; W544-C563 WeakPolarHBondContact CB-O 3.17Å; W544-F564 HydrophobicContact CD2-CD2 4.02Å; W544-F564 AromaticContact CE2-CD2 3.78Å; W544-F564 HydrophobicContact CE3-CD2 4.04Å; W544-F564 HydrophobicContact CE3-CE2 4.37Å; W544-F564 AromaticContact CH2-CD2 3.72Å; W544-F564 HydrophobicContact CH2-CD2 3.72Å; W544-F564 AromaticContact CH2-CE2 3.5Å; W544-F564 HydrophobicContact CH2-CE2 3.5Å; W544-F564 VanDerWaalsContact CH2-CE2 3.5Å; W544-F564 AromaticContact CZ2-CD2 3.65Å; W544-F564 HydrophobicContact CZ2-CD2 3.65Å; W544-F564 AromaticContact CZ2-CE2 3.84Å; W544-F564 HydrophobicContact CZ2-CE2 3.84Å; W544-F564 AromaticContact CZ3-CD2 3.9Å; W544-F564 HydrophobicContact CZ3-CD2 3.9Å; W544-F564 AromaticContact CZ3-CE2 3.78Å; W544-F564 HydrophobicContact CZ3-CE2 3.78Å; W544-I565 HydrophobicContact CB-CG2 4.39Å; W544-I565 HydrophobicContact CE3-CG2 4.37Å; W544-I565 WeakPolarHBondContact CZ3-O 3.26Å; W544-I565 VanDerWaalsContact O-CG2 3.26Å; W544-I565 WeakPolarHBondContact O-CG2 3.48Å
545	R	87.8	Confident	86.4	Confident	136 Å²	136	76.8 Å²	76.8	51%	0.513	36%	0.359	S	S	.	.	H	α-helix	trans	-55.6	-42.3	171.8	170	168	74.6	155.2	-1.8	111.9	D541 E542 R548	D541-R545 WeakPolarHBondContact O-CB 3.48Å; D541-R545 PolarHBondContact O-N 3.13Å; E542-R545 PolarHBondContact O-N 3.22Å; E542-R545 IonicContact OE1-CZ 3.62Å; E542-R545 IonicContact OE1-NH2 3.57Å; E542-R545 PolarHBondContact OE1-NH2 3.3Å; R545-R548 WeakPolarHBondContact O-CB 2.96Å
546	H	89.1	Confident	86.4	Confident	14 Å²	14	76.5 Å²	76.5	7%	0.065	36%	0.356	C	S	.	.	H	α-helix	trans	-69.2	-39.3	177.9	164.1	68.3	0	0	0	112.5	C530 C533 F535 E542 F543 W544 R548 I549 H550	C530-H546 WeakPolarHBondContact CB-NE2 3.45Å; C530-H546 PolarHBondContact SG-NE2 3.1Å; C533-H546 PolarHBondContact SG-CE1 3.48Å; F535-H546 WeakPolarHBondContact CB-CE1 3.46Å; F535-H546 HydrophobicContact CD1-CB 3.68Å; F535-H546 AromaticContact CD1-CD2 3.33Å; F535-H546 WeakPolarHBondContact CD1-CD2 3.3Å; F535-H546 AromaticContact CD1-CG 3.22Å; F535-H546 AromaticContact CD1-ND1 3.7Å; F535-H546 AromaticContact CD1-NE2 3.87Å; F535-H546 AromaticContact CD2-ND1 3.87Å; F535-H546 HydrophobicContact CE1-CB 3.44Å; F535-H546 VanDerWaalsContact CE1-CB 3.44Å; F535-H546 AromaticContact CE1-CG 3.57Å; F535-H546 HydrophobicContact CE2-CB 4.47Å; F535-H546 HydrophobicContact CG-CB 4.28Å; F535-H546 AromaticContact CG-CD2 3.79Å; F535-H546 AromaticContact CG-CE1 3.69Å; F535-H546 AromaticContact CG-CG 3.54Å; F535-H546 AromaticContact CG-ND1 3.47Å; F535-H546 WeakPolarHBondContact CG-ND1 3.37Å; F535-H546 AromaticContact CG-NE2 3.88Å; F535-H546 HydrophobicContact CZ-CB 3.89Å; E542-H546 WeakPolarHBondContact O-CB 3.44Å; E542-H546 PolarHBondContact O-N 2.85Å; F543-H546 PolarHBondContact O-N 3.23Å; W544-H546 VanDerWaalsContact C-N 3.26Å; W544-H546 PolarHBondContact O-N 3.09Å; H546-R548 PolarHBondContact O-N 2.96Å; H546-I549 WeakPolarHBondContact O-CB 3.37Å; H546-I549 WeakPolarHBondContact O-CG1 3.48Å; H546-I549 PolarHBondContact O-N 3.26Å; H546-H550 AromaticContact CE1-CD2 3.47Å; H546-H550 PolarHBondContact CE1-CD2 2.86Å; H546-H550 VanDerWaalsContact CE1-CD2 3.47Å; H546-H550 AromaticContact CE1-NE2 3.26Å; H546-H550 PolarHBondContact CE1-NE2 2.97Å; H546-H550 VanDerWaalsContact CE1-NE2 3.26Å; H546-H550 AromaticContact NE2-CD2 3.21Å; H546-H550 PolarHBondContact NE2-CD2 3.29Å; H546-H550 AromaticContact NE2-NE2 3.25Å; H546-H550 PolarHBondContact NE2-NE2 2.67Å
547	L	88.2	Confident	86.6	Confident	29 Å²	29	74.8 Å²	74.8	15%	0.152	35%	0.345	C	S	.	.	H	α-helix	trans	-60.5	-17.8	178.7	-78.4	174.1	0	0	0	114.1	F543 W544 I549 H550 I551 I565	F543-L547 HydrophobicContact CD1-CD1 4.03Å; F543-L547 HydrophobicContact CE1-CD1 3.46Å; F543-L547 VanDerWaalsContact CE1-CD1 3.46Å; F543-L547 HydrophobicContact CE1-CG 4.34Å; F543-L547 HydrophobicContact CE2-CD1 4.41Å; F543-L547 HydrophobicContact CZ-CD1 3.69Å; F543-L547 HydrophobicContact CZ-CG 4.26Å; F543-L547 WeakPolarHBondContact O-CG 3.1Å; F543-L547 PolarHBondContact O-N 2.8Å; W544-L547 HydrophobicContact CE3-CD1 3.59Å; W544-L547 HydrophobicContact CZ3-CD1 3.69Å; W544-L547 PolarHBondContact O-N 3.11Å; L547-I549 PolarHBondContact O-N 3.28Å; L547-H550 HydrophobicContact CD2-CB 4.47Å; L547-H550 PolarHBondContact O-N 3.5Å; L547-I551 HydrophobicContact CB-CD1 4.36Å; L547-I551 PolarHBondContact O-N 2.92Å; L547-I565 HydrophobicContact CB-CG2 3.98Å
548	R	89.5	Confident	86.7	Confident	87 Å²	87	79.2 Å²	79.2	33%	0.328	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-33.9	167.6	-76.3	-169.8	-87.2	-93.2	13	113.3	R545 H546 H550 R556 I565	R545-R548 WeakPolarHBondContact O-CB 2.96Å; H546-R548 PolarHBondContact O-N 2.96Å; R548-H550 VanDerWaalsContact C-N 3.26Å; R548-H550 PolarHBondContact O-N 3.46Å; R548-R556 VanDerWaalsContact O-CZ 3.28Å; R548-R556 PolarHBondContact O-NE 3.27Å; R548-R556 VanDerWaalsContact O-NE 3.1Å; R548-R556 PolarHBondContact O-NH2 3.25Å; R548-I565 HydrophobicContact CB-CD1 4.5Å; R548-I565 HydrophobicContact CG-CD1 3.54Å
549	I	88.4	Confident	87.1	Confident	130 Å²	130	76.1 Å²	76.1	67%	0.667	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-29.6	179.1	-55.8	173	0	0	0	111	H546 L547	H546-I549 WeakPolarHBondContact O-CB 3.37Å; H546-I549 WeakPolarHBondContact O-CG1 3.48Å; H546-I549 PolarHBondContact O-N 3.26Å; L547-I549 PolarHBondContact O-N 3.28Å
550	H	87.2	Confident	87.3	Confident	38 Å²	38	81.3 Å²	81.3	18%	0.176	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-31.1	-173	-75.5	-64.1	0	0	0	114.4	C530 Q532 C533 H546 L547 R548	C530-H550 PolarHBondContact SG-CD2 2.95Å; C530-H550 PolarHBondContact SG-NE2 3.22Å; Q532-H550 VanDerWaalsContact CB-CE1 3.44Å; Q532-H550 WeakPolarHBondContact CB-CE1 3.37Å; Q532-H550 WeakPolarHBondContact CB-ND1 3.26Å; Q532-H550 PolarHBondContact OE1-ND1 3.07Å; C533-H550 PolarHBondContact SG-NE2 3.03Å; H546-H550 AromaticContact CE1-CD2 3.47Å; H546-H550 PolarHBondContact CE1-CD2 2.86Å; H546-H550 VanDerWaalsContact CE1-CD2 3.47Å; H546-H550 AromaticContact CE1-NE2 3.26Å; H546-H550 PolarHBondContact CE1-NE2 2.97Å; H546-H550 VanDerWaalsContact CE1-NE2 3.26Å; H546-H550 AromaticContact NE2-CD2 3.21Å; H546-H550 PolarHBondContact NE2-CD2 3.29Å; H546-H550 AromaticContact NE2-NE2 3.25Å; H546-H550 PolarHBondContact NE2-NE2 2.67Å; L547-H550 HydrophobicContact CD2-CB 4.47Å; L547-H550 PolarHBondContact O-N 3.5Å; R548-H550 VanDerWaalsContact C-N 3.26Å; R548-H550 PolarHBondContact O-N 3.46Å
551	I	87.4	Confident	87.5	Confident	12 Å²	12	79.2 Å²	79.2	6%	0.062	37%	0.365	C	S	.	.	S	Bend	trans	-83.2	122.7	176.7	-59.8	163.2	0	0	0	108.4	L547 E553 R556 I565 E567	L547-I551 HydrophobicContact CB-CD1 4.36Å; L547-I551 PolarHBondContact O-N 2.92Å; I551-E553 PolarHBondContact O-N 3.26Å; I551-R556 HydrophobicContact CB-CG 4.11Å; I551-R556 HydrophobicContact CG2-CB 4.43Å; I551-R556 HydrophobicContact CG2-CG 3.69Å; I551-R556 PolarHBondContact O-NE 2.73Å; I551-R556 PolarHBondContact O-NH2 2.69Å; I551-I565 HydrophobicContact CD1-CD1 4.33Å; I551-I565 HydrophobicContact CD1-CG1 3.95Å; I551-I565 HydrophobicContact CD1-CG2 4.07Å; I551-E567 HydrophobicContact CG2-CB 3.92Å
552	K	84.5	Confident	87.6	Confident	158 Å²	158	77.5 Å²	77.5	69%	0.687	36%	0.36	S	S	*	.			trans	-55.4	137	174.5	-68.9	-167.5	176.1	-167.2	0	110.3	D554 K555 R556	K552-D554 VanDerWaalsContact C-N 3.34Å; K552-D554 PolarHBondContact O-N 3.02Å; K552-K555 CarbonylContact O-C 3.39Å; K552-K555 WeakPolarHBondContact O-CA 3.09Å; K552-K555 PolarHBondContact O-N 3.1Å; K552-R556 PolarHBondContact O-N 2.87Å
553	E	83.4	Confident	87.6	Confident	136 Å²	136	77 Å²	77	64%	0.636	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-52.6	-48.2	-171.4	-162.4	136.4	161.7	0	0	113.1	I551 K555 R556	I551-E553 PolarHBondContact O-N 3.26Å; E553-K555 PolarHBondContact O-N 2.88Å; E553-R556 WeakPolarHBondContact O-CB 3.46Å; E553-R556 PolarHBondContact O-N 2.81Å; E553-R556 IonicContact OE1-NH1 3.95Å; E553-R556 IonicContact OE2-CZ 3.01Å; E553-R556 IonicContact OE2-NH1 3.83Å; E553-R556 PolarHBondContact OE2-NH1 2.9Å; E553-R556 IonicContact OE2-NH2 2.7Å
554	D	83.7	Confident	87.6	Confident	133 Å²	133	76.7 Å²	76.7	71%	0.711	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-66.1	-4.6	-179.6	-34.9	-78.9	0	0	0	114.1	K552	K552-D554 VanDerWaalsContact C-N 3.34Å; K552-D554 PolarHBondContact O-N 3.02Å
555	K	84.3	Confident	87.7	Confident	100 Å²	100	73.6 Å²	73.6	44%	0.435	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-121.8	7.8	176.9	-58.7	-165.1	177.8	-167.5	0	113	K552 E553 L557 E567	K552-K555 CarbonylContact O-C 3.39Å; K552-K555 WeakPolarHBondContact O-CA 3.09Å; K552-K555 PolarHBondContact O-N 3.1Å; E553-K555 PolarHBondContact O-N 2.88Å; K555-L557 PolarHBondContact O-N 3.37Å; K555-E567 WeakPolarHBondContact O-CA 3.43Å
556	R	88.9	Confident	87.8	Confident	62 Å²	62	67.8 Å²	67.8	23%	0.234	33%	0.33	C	S	.	.			trans	-73.7	109.3	179.4	-73.3	-177	-168.9	139.4	9.9	111.1	R548 I551 K552 E553 I565	R548-R556 VanDerWaalsContact O-CZ 3.28Å; R548-R556 PolarHBondContact O-NE 3.27Å; R548-R556 VanDerWaalsContact O-NE 3.1Å; R548-R556 PolarHBondContact O-NH2 3.25Å; I551-R556 HydrophobicContact CB-CG 4.11Å; I551-R556 HydrophobicContact CG2-CB 4.43Å; I551-R556 HydrophobicContact CG2-CG 3.69Å; I551-R556 PolarHBondContact O-NE 2.73Å; I551-R556 PolarHBondContact O-NH2 2.69Å; K552-R556 PolarHBondContact O-N 2.87Å; E553-R556 WeakPolarHBondContact O-CB 3.46Å; E553-R556 PolarHBondContact O-N 2.81Å; E553-R556 IonicContact OE1-NH1 3.95Å; E553-R556 IonicContact OE2-CZ 3.01Å; E553-R556 IonicContact OE2-NH1 3.83Å; E553-R556 PolarHBondContact OE2-NH1 2.9Å; E553-R556 IonicContact OE2-NH2 2.7Å; R556-I565 HydrophobicContact CB-CD1 4.01Å; R556-I565 HydrophobicContact CG-CD1 3.91Å
557	L	89.4	Confident	87.9	Confident	17 Å²	17	71.2 Å²	71.2	9%	0.089	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	105.7	172.9	-56.5	-178.2	0	0	0	108.8	Y397 K555 I565 T566 K569 L572	Y397-L557 HydrophobicContact CE2-CD2 3.75Å; Y397-L557 VanDerWaalsContact OH-CD2 3.3Å; Y397-L557 WeakPolarHBondContact OH-CD2 3.45Å; K555-L557 PolarHBondContact O-N 3.37Å; L557-I565 WeakPolarHBondContact O-CA 3.5Å; L557-T566 HydrophobicContact CB-CG2 4.12Å; L557-T566 WeakPolarHBondContact CB-O 3.27Å; L557-T566 PolarHBondContact N-O 2.96Å; L557-T566 PolarHBondContact O-N 2.85Å; L557-K569 HydrophobicContact CD1-CB 4.11Å; L557-L572 HydrophobicContact CB-CB 4.48Å; L557-L572 HydrophobicContact CB-CD2 3.94Å
558	E	89.5	Confident	87.9	Confident	102 Å²	102	75.3 Å²	75.3	48%	0.477	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	154.9	-177.4	66.9	-167.9	164.1	0	0	112.4	F564 I565	E558-F564 WeakPolarHBondContact CA-O 3.36Å; E558-I565 HydrophobicContact CB-CG1 4.34Å
559	C	89.9	Confident	87.9	Confident	10 Å²	10	77.2 Å²	77.2	7%	0.068	37%	0.37	C	S	.	.			trans	-85.5	130.5	171	-177.2	0	0	0	0	110.5	L561 F564 L572 H575 M576	C559-L561 PolarHBondContact O-N 3.05Å; C559-L561 PolarHBondContact SG-N 3.35Å; C559-F564 HydrophobicContact CB-CB 4.13Å; C559-F564 PolarHBondContact N-O 3.31Å; C559-L572 HydrophobicContact CB-CD1 4.21Å; C559-H575 WeakPolarHBondContact CB-NE2 3.24Å; C559-H575 PolarHBondContact SG-NE2 3.38Å; C559-M576 HydrophobicContact CB-SD 4.41Å; C559-M576 PolarHBondContact SG-SD 2.94Å
560	H	88.1	Confident	87.9	Confident	152 Å²	152	75.1 Å²	75.1	70%	0.704	36%	0.358	S	S	*	.	S	Bend	trans	-79.8	8.1	173.8	68.8	78.5	0	0	0	113.8	M576	H560-M576 VanDerWaalsContact NE2-CE 3.28Å; H560-M576 WeakPolarHBondContact NE2-CE 3.41Å
561	L	86.6	Confident	88	Confident	94 Å²	94	77.2 Å²	77.2	49%	0.492	37%	0.367	S	S	.	.	S	Bend	trans	-124	-12.8	-179	-58.1	175.1	0	0	0	113.9	C559 M576 H579	C559-L561 PolarHBondContact O-N 3.05Å; C559-L561 PolarHBondContact SG-N 3.35Å; L561-M576 HydrophobicContact CD1-CE 3.98Å; L561-M576 HydrophobicContact CG-CE 4.5Å; L561-H579 HydrophobicContact CD1-CB 3.57Å
562	C	87.9	Confident	88.2	Confident	52 Å²	52	77.9 Å²	77.9	35%	0.351	37%	0.371	S	S	.	.	S	Bend	trans	-159.8	172.9	172.6	75.9	0	0	0	0	111.4	F564 H575	C562-F564 PolarHBondContact O-N 2.65Å; C562-H575 PolarHBondContact SG-CE1 3.13Å; C562-H575 PolarHBondContact SG-NE2 2.91Å
563	C	87.3	Confident	88.4	Confident	56 Å²	56	72.9 Å²	72.9	38%	0.378	35%	0.35	S	S	.	.	S	Bend	trans	-66.1	-0.9	-175	-63.1	0	0	0	0	116.3	D541 W544	D541-C563 HydrophobicContact CB-CB 4.16Å; W544-C563 HydrophobicContact CB-CB 4.46Å; W544-C563 WeakPolarHBondContact CB-O 3.17Å
564	F	89.8	Confident	88.7	Confident	27 Å²	27	70 Å²	70	12%	0.118	33%	0.334	C	S	.	.			trans	-59.6	135.6	-176.4	178.5	-94.8	0	0	0	113	W544 E558 C559 C562 T566 L572 H575	W544-F564 HydrophobicContact CD2-CD2 4.02Å; W544-F564 AromaticContact CE2-CD2 3.78Å; W544-F564 HydrophobicContact CE3-CD2 4.04Å; W544-F564 HydrophobicContact CE3-CE2 4.37Å; W544-F564 AromaticContact CH2-CD2 3.72Å; W544-F564 HydrophobicContact CH2-CD2 3.72Å; W544-F564 AromaticContact CH2-CE2 3.5Å; W544-F564 HydrophobicContact CH2-CE2 3.5Å; W544-F564 VanDerWaalsContact CH2-CE2 3.5Å; W544-F564 AromaticContact CZ2-CD2 3.65Å; W544-F564 HydrophobicContact CZ2-CD2 3.65Å; W544-F564 AromaticContact CZ2-CE2 3.84Å; W544-F564 HydrophobicContact CZ2-CE2 3.84Å; W544-F564 AromaticContact CZ3-CD2 3.9Å; W544-F564 HydrophobicContact CZ3-CD2 3.9Å; W544-F564 AromaticContact CZ3-CE2 3.78Å; W544-F564 HydrophobicContact CZ3-CE2 3.78Å; E558-F564 WeakPolarHBondContact CA-O 3.36Å; C559-F564 HydrophobicContact CB-CB 4.13Å; C559-F564 PolarHBondContact N-O 3.31Å; C562-F564 PolarHBondContact O-N 2.65Å; F564-T566 HydrophobicContact CE1-CG2 3.9Å; F564-T566 HydrophobicContact CZ-CG2 4.32Å; F564-L572 HydrophobicContact CD1-CD1 4.26Å; F564-L572 HydrophobicContact CE1-CD1 4.38Å; F564-H575 VanDerWaalsContact CB-CE1 3.48Å; F564-H575 WeakPolarHBondContact CB-CE1 3.37Å; F564-H575 HydrophobicContact CD1-CB 4.05Å; F564-H575 AromaticContact CD1-CD2 3.59Å; F564-H575 AromaticContact CD1-CG 3.53Å; F564-H575 AromaticContact CD1-ND1 3.81Å; F564-H575 AromaticContact CD1-NE2 3.91Å; F564-H575 AromaticContact CD2-ND1 3.89Å; F564-H575 HydrophobicContact CE1-CB 3.77Å; F564-H575 AromaticContact CE1-CG 3.78Å; F564-H575 AromaticContact CG-CD2 4Å; F564-H575 AromaticContact CG-CE1 3.64Å; F564-H575 AromaticContact CG-CG 3.86Å; F564-H575 AromaticContact CG-ND1 3.62Å; F564-H575 AromaticContact CG-NE2 3.85Å; F564-H575 HydrophobicContact CZ-CB 4.17Å
565	I	91.1	Very high	88.9	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	144.2	175.8	-168.2	173	0	0	0	111.3	W544 L547 R548 I551 R556 L557 E558	W544-I565 HydrophobicContact CB-CG2 4.39Å; W544-I565 HydrophobicContact CE3-CG2 4.37Å; W544-I565 WeakPolarHBondContact CZ3-O 3.26Å; W544-I565 VanDerWaalsContact O-CG2 3.26Å; W544-I565 WeakPolarHBondContact O-CG2 3.48Å; L547-I565 HydrophobicContact CB-CG2 3.98Å; R548-I565 HydrophobicContact CB-CD1 4.5Å; R548-I565 HydrophobicContact CG-CD1 3.54Å; I551-I565 HydrophobicContact CD1-CD1 4.33Å; I551-I565 HydrophobicContact CD1-CG1 3.95Å; I551-I565 HydrophobicContact CD1-CG2 4.07Å; R556-I565 HydrophobicContact CB-CD1 4.01Å; R556-I565 HydrophobicContact CG-CD1 3.91Å; L557-I565 WeakPolarHBondContact O-CA 3.5Å; E558-I565 HydrophobicContact CB-CG1 4.34Å
566	T	90.2	Very high	89.1	Confident	14 Å²	14	61.5 Å²	61.5	9%	0.086	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	169.3	178.2	-163.6	0	0	0	0	111.5	L557 F564 Y568 H571 L572	L557-T566 HydrophobicContact CB-CG2 4.12Å; L557-T566 WeakPolarHBondContact CB-O 3.27Å; L557-T566 PolarHBondContact N-O 2.96Å; L557-T566 PolarHBondContact O-N 2.85Å; F564-T566 HydrophobicContact CE1-CG2 3.9Å; F564-T566 HydrophobicContact CZ-CG2 4.32Å; T566-Y568 WeakPolarHBondContact CG2-O 3.04Å; T566-H571 HydrophobicContact CG2-CB 3.94Å; T566-L572 HydrophobicContact CG2-CB 4.08Å
567	E	91.1	Very high	89.1	Confident	86 Å²	86	61.7 Å²	61.7	40%	0.402	29%	0.292	S	S	.	.	S	Bend	trans	-102.5	-0.7	172.3	70.1	-169.5	135.5	0	0	113	I551 K555	I551-E567 HydrophobicContact CG2-CB 3.92Å; K555-E567 WeakPolarHBondContact O-CA 3.43Å
568	Y	88.4	Confident	89	Confident	115 Å²	115	65.6 Å²	65.6	45%	0.451	31%	0.313	S	S	.	.			trans	-121	117.3	-170.5	-61	-72.4	0	0	0	112.1	T566 H570 H571 L572	T566-Y568 WeakPolarHBondContact CG2-O 3.04Å; Y568-H570 VanDerWaalsContact C-N 3.32Å; Y568-H570 PolarHBondContact O-N 3.45Å; Y568-H571 AromaticContact CD2-CE1 3.69Å; Y568-H571 AromaticContact CD2-ND1 3.4Å; Y568-H571 WeakPolarHBondContact CD2-ND1 3.44Å; Y568-H571 AromaticContact CG-ND1 3.83Å; Y568-H571 WeakPolarHBondContact O-CB 3.41Å; Y568-H571 PolarHBondContact O-N 3.37Å; Y568-L572 PolarHBondContact O-N 3.13Å
569	K	89.6	Confident	88.8	Confident	127 Å²	127	64.6 Å²	64.6	55%	0.552	31%	0.309	S	S	*	.	H	α-helix	trans	-50.6	-48	-178.2	-168.7	-173.9	-176.2	-112	0	113.1	L557 H571 L572 E573	L557-K569 HydrophobicContact CD1-CB 4.11Å; K569-H571 VanDerWaalsContact C-N 3.28Å; K569-H571 PolarHBondContact O-N 2.8Å; K569-L572 PolarHBondContact O-N 2.94Å; K569-E573 VanDerWaalsContact CE-OE1 3.26Å; K569-E573 WeakPolarHBondContact CE-OE1 3.44Å; K569-E573 HydrophobicContact CG-CG 4.46Å; K569-E573 WeakPolarHBondContact CG-OE1 3.11Å; K569-E573 IonicContact NZ-OE1 2.89Å; K569-E573 PolarHBondContact NZ-OE1 2.91Å; K569-E573 WeakPolarHBondContact O-CG 3.32Å; K569-E573 PolarHBondContact O-N 2.88Å
570	H	88	Confident	88.6	Confident	86 Å²	86	71.1 Å²	71.1	40%	0.398	34%	0.34	S	S	.	.	H	α-helix	trans	-63.9	-28.7	-179.8	64.3	-98.7	0	0	0	113.5	Y568 Y574	Y568-H570 VanDerWaalsContact C-N 3.32Å; Y568-H570 PolarHBondContact O-N 3.45Å; H570-Y574 HydrophobicContact CB-CE2 4.28Å; H570-Y574 WeakPolarHBondContact O-CB 3.44Å; H570-Y574 WeakPolarHBondContact O-CD2 3.49Å; H570-Y574 PolarHBondContact O-N 3.1Å
571	H	88.9	Confident	88.3	Confident	81 Å²	81	66.4 Å²	66.4	38%	0.375	33%	0.332	S	S	.	.	H	α-helix	trans	-70	-39.7	172.4	-72.4	155.9	0	0	0	111.4	T566 Y568 K569 H575	T566-H571 HydrophobicContact CG2-CB 3.94Å; Y568-H571 AromaticContact CD2-CE1 3.69Å; Y568-H571 AromaticContact CD2-ND1 3.4Å; Y568-H571 WeakPolarHBondContact CD2-ND1 3.44Å; Y568-H571 AromaticContact CG-ND1 3.83Å; Y568-H571 WeakPolarHBondContact O-CB 3.41Å; Y568-H571 PolarHBondContact O-N 3.37Å; K569-H571 VanDerWaalsContact C-N 3.28Å; K569-H571 PolarHBondContact O-N 2.8Å; H571-H575 WeakPolarHBondContact O-CB 3.32Å; H571-H575 PolarHBondContact O-N 3.26Å
572	L	90.9	Very high	88.2	Confident	26 Å²	26	64.3 Å²	64.3	14%	0.136	33%	0.325	C	S	.	.	H	α-helix	trans	-66.5	-41.6	173.5	-176.2	60.1	0	0	0	110.9	L557 C559 F564 T566 Y568 K569 H575 M576	L557-L572 HydrophobicContact CB-CB 4.48Å; L557-L572 HydrophobicContact CB-CD2 3.94Å; C559-L572 HydrophobicContact CB-CD1 4.21Å; F564-L572 HydrophobicContact CD1-CD1 4.26Å; F564-L572 HydrophobicContact CE1-CD1 4.38Å; T566-L572 HydrophobicContact CG2-CB 4.08Å; Y568-L572 PolarHBondContact O-N 3.13Å; K569-L572 PolarHBondContact O-N 2.94Å; L572-H575 CarbonylContact O-C 3.51Å; L572-H575 WeakPolarHBondContact O-CB 3.22Å; L572-H575 PolarHBondContact O-N 3.5Å; L572-H575 VanDerWaalsContact O-N 3.13Å; L572-M576 HydrophobicContact CD1-CG 4.04Å; L572-M576 HydrophobicContact CD1-SD 4.24Å; L572-M576 HydrophobicContact CG-CG 4.18Å; L572-M576 WeakPolarHBondContact O-CB 3.17Å; L572-M576 VanDerWaalsContact O-CG 3.3Å; L572-M576 WeakPolarHBondContact O-CG 3.19Å; L572-M576 PolarHBondContact O-N 3.44Å
573	E	89	Confident	88.1	Confident	54 Å²	54	66.6 Å²	66.6	25%	0.252	33%	0.329	S	S	.	.	H	α-helix	trans	-59.5	-48.5	175.2	-69.8	168.3	177.5	0	0	112.4	K569 H575 M576 R577	K569-E573 VanDerWaalsContact CE-OE1 3.26Å; K569-E573 WeakPolarHBondContact CE-OE1 3.44Å; K569-E573 HydrophobicContact CG-CG 4.46Å; K569-E573 WeakPolarHBondContact CG-OE1 3.11Å; K569-E573 IonicContact NZ-OE1 2.89Å; K569-E573 PolarHBondContact NZ-OE1 2.91Å; K569-E573 WeakPolarHBondContact O-CG 3.32Å; K569-E573 PolarHBondContact O-N 2.88Å; E573-H575 PolarHBondContact O-N 2.89Å; E573-M576 PolarHBondContact O-N 3.23Å; E573-R577 WeakPolarHBondContact O-CG 3.44Å; E573-R577 PolarHBondContact O-N 3.49Å
574	Y	89.8	Confident	88.2	Confident	75 Å²	75	67.3 Å²	67.3	29%	0.294	33%	0.333	S	S	.	.	H	α-helix	trans	-65.1	-29	174.7	-61.8	-36	0	0	0	112.8	H570 N578 N596	H570-Y574 HydrophobicContact CB-CE2 4.28Å; H570-Y574 WeakPolarHBondContact O-CB 3.44Å; H570-Y574 WeakPolarHBondContact O-CD2 3.49Å; H570-Y574 PolarHBondContact O-N 3.1Å; Y574-N578 PolarHBondContact O-ND2 2.97Å; Y574-N596 HydrophobicContact CD1-CB 3.89Å; Y574-N596 HydrophobicContact CD2-CB 4.46Å; Y574-N596 HydrophobicContact CE1-CB 3.61Å; Y574-N596 HydrophobicContact CE2-CB 4.23Å; Y574-N596 HydrophobicContact CG-CB 4.33Å
575	H	88.8	Confident	88.2	Confident	30 Å²	30	69.4 Å²	69.4	14%	0.139	34%	0.341	C	S	.	.	H	α-helix	trans	-71.2	-50.9	175.4	174	78.7	0	0	0	111.4	C559 C562 F564 H571 L572 E573 R577 N578 H579	C559-H575 WeakPolarHBondContact CB-NE2 3.24Å; C559-H575 PolarHBondContact SG-NE2 3.38Å; C562-H575 PolarHBondContact SG-CE1 3.13Å; C562-H575 PolarHBondContact SG-NE2 2.91Å; F564-H575 VanDerWaalsContact CB-CE1 3.48Å; F564-H575 WeakPolarHBondContact CB-CE1 3.37Å; F564-H575 HydrophobicContact CD1-CB 4.05Å; F564-H575 AromaticContact CD1-CD2 3.59Å; F564-H575 AromaticContact CD1-CG 3.53Å; F564-H575 AromaticContact CD1-ND1 3.81Å; F564-H575 AromaticContact CD1-NE2 3.91Å; F564-H575 AromaticContact CD2-ND1 3.89Å; F564-H575 HydrophobicContact CE1-CB 3.77Å; F564-H575 AromaticContact CE1-CG 3.78Å; F564-H575 AromaticContact CG-CD2 4Å; F564-H575 AromaticContact CG-CE1 3.64Å; F564-H575 AromaticContact CG-CG 3.86Å; F564-H575 AromaticContact CG-ND1 3.62Å; F564-H575 AromaticContact CG-NE2 3.85Å; F564-H575 HydrophobicContact CZ-CB 4.17Å; H571-H575 WeakPolarHBondContact O-CB 3.32Å; H571-H575 PolarHBondContact O-N 3.26Å; L572-H575 CarbonylContact O-C 3.51Å; L572-H575 WeakPolarHBondContact O-CB 3.22Å; L572-H575 PolarHBondContact O-N 3.5Å; L572-H575 VanDerWaalsContact O-N 3.13Å; E573-H575 PolarHBondContact O-N 2.89Å; H575-R577 VanDerWaalsContact C-N 3.26Å; H575-R577 PolarHBondContact O-N 3.17Å; H575-N578 WeakPolarHBondContact O-CB 3.42Å; H575-N578 PolarHBondContact O-N 3.12Å; H575-N578 PolarHBondContact O-ND2 2.97Å; H575-N578 VanDerWaalsContact O-ND2 3.13Å; H575-H579 AromaticContact CE1-NE2 3.76Å; H575-H579 AromaticContact NE2-CD2 3.58Å; H575-H579 AromaticContact NE2-NE2 3.35Å; H575-H579 PolarHBondContact NE2-NE2 3.06Å
576	M	88.2	Confident	88.1	Confident	25 Å²	25	75.6 Å²	75.6	12%	0.123	37%	0.367	C	S	.	.	H	α-helix	trans	-59.3	-34.2	177.3	-67.8	-53.7	-66.7	0	0	112.4	C559 H560 L561 L572 E573 N578 H579 M580	C559-M576 HydrophobicContact CB-SD 4.41Å; C559-M576 PolarHBondContact SG-SD 2.94Å; H560-M576 VanDerWaalsContact NE2-CE 3.28Å; H560-M576 WeakPolarHBondContact NE2-CE 3.41Å; L561-M576 HydrophobicContact CD1-CE 3.98Å; L561-M576 HydrophobicContact CG-CE 4.5Å; L572-M576 HydrophobicContact CD1-CG 4.04Å; L572-M576 HydrophobicContact CD1-SD 4.24Å; L572-M576 HydrophobicContact CG-CG 4.18Å; L572-M576 WeakPolarHBondContact O-CB 3.17Å; L572-M576 VanDerWaalsContact O-CG 3.3Å; L572-M576 WeakPolarHBondContact O-CG 3.19Å; L572-M576 PolarHBondContact O-N 3.44Å; E573-M576 PolarHBondContact O-N 3.23Å; M576-N578 PolarHBondContact O-N 2.98Å; M576-H579 WeakPolarHBondContact O-CB 3.42Å; M576-H579 PolarHBondContact O-N 2.89Å; M576-M580 WeakPolarHBondContact O-CG 3.42Å; M576-M580 PolarHBondContact O-N 3.29Å
577	R	89.7	Confident	88.2	Confident	65 Å²	65	75.5 Å²	75.5	25%	0.245	37%	0.367	C	S	.	.	H	α-helix	trans	-55.6	-32.8	171.6	-77.8	176.8	-165.3	176.7	2.8	113.4	E573 H575 M580 G581 S582 V595	E573-R577 WeakPolarHBondContact O-CG 3.44Å; E573-R577 PolarHBondContact O-N 3.49Å; H575-R577 VanDerWaalsContact C-N 3.26Å; H575-R577 PolarHBondContact O-N 3.17Å; R577-M580 PolarHBondContact O-N 3.28Å; R577-G581 CarbonylContact O-C 3.57Å; R577-G581 PolarHBondContact O-N 3.23Å; R577-G581 VanDerWaalsContact O-N 3.09Å; R577-S582 PolarHBondContact O-N 2.79Å; R577-V595 HydrophobicContact CB-CB 4.22Å; R577-V595 HydrophobicContact CB-CG1 4.02Å; R577-V595 PolarHBondContact NH1-O 3.35Å
578	N	86.3	Confident	88.2	Confident	99 Å²	99	76.3 Å²	76.3	53%	0.529	38%	0.38	S	S	.	.	H	α-helix	trans	-69.7	-40	175.2	-54.8	-69.5	0	0	0	111.8	Y574 H575 M576 M580 G581	Y574-N578 PolarHBondContact O-ND2 2.97Å; H575-N578 WeakPolarHBondContact O-CB 3.42Å; H575-N578 PolarHBondContact O-N 3.12Å; H575-N578 PolarHBondContact O-ND2 2.97Å; H575-N578 VanDerWaalsContact O-ND2 3.13Å; M576-N578 PolarHBondContact O-N 2.98Å; N578-M580 VanDerWaalsContact C-N 3.33Å; N578-G581 PolarHBondContact O-N 3.31Å
579	H	85.7	Confident	88.2	Confident	82 Å²	82	77.1 Å²	77.1	38%	0.38	39%	0.386	S	S	.	.	H	α-helix	trans	-65.4	-35.7	174.6	-76.9	-76.2	0	0	0	112.3	L561 H575 M576 G581	L561-H579 HydrophobicContact CD1-CB 3.57Å; H575-H579 AromaticContact CE1-NE2 3.76Å; H575-H579 AromaticContact NE2-CD2 3.58Å; H575-H579 AromaticContact NE2-NE2 3.35Å; H575-H579 PolarHBondContact NE2-NE2 3.06Å; M576-H579 WeakPolarHBondContact O-CB 3.42Å; M576-H579 PolarHBondContact O-N 2.89Å; H579-G581 VanDerWaalsContact C-N 3.29Å; H579-G581 PolarHBondContact O-N 3.28Å
580	M	85	Confident	88.2	Confident	147 Å²	147	73.5 Å²	73.5	72%	0.724	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-2.1	175.5	-61.4	177.6	75.3	0	0	114	M576 R577 N578 S582	M576-M580 WeakPolarHBondContact O-CG 3.42Å; M576-M580 PolarHBondContact O-N 3.29Å; R577-M580 PolarHBondContact O-N 3.28Å; N578-M580 VanDerWaalsContact C-N 3.33Å; M580-S582 PolarHBondContact O-N 2.97Å; M580-S582 VanDerWaalsContact O-N 3.1Å
581	G	82.3	Confident	88.3	Confident	53 Å²	53	77.4 Å²	77.4	55%	0.546	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	7.8	-171.8	0	0	0	0	0	115.4	R577 N578 H579 K583	R577-G581 CarbonylContact O-C 3.57Å; R577-G581 PolarHBondContact O-N 3.23Å; R577-G581 VanDerWaalsContact O-N 3.09Å; N578-G581 PolarHBondContact O-N 3.31Å; H579-G581 VanDerWaalsContact C-N 3.29Å; H579-G581 PolarHBondContact O-N 3.28Å; G581-K583 PolarHBondContact O-N 3.01Å
582	S	84	Confident	88.4	Confident	49 Å²	49	77.7 Å²	77.7	34%	0.343	40%	0.398	S	S	.	.			trans	-78.9	108.5	-169.1	-175.6	0	0	0	0	112.2	R577 M580 P584	R577-S582 PolarHBondContact O-N 2.79Å; M580-S582 PolarHBondContact O-N 2.97Å; M580-S582 VanDerWaalsContact O-N 3.1Å; S582-P584 VanDerWaalsContact C-CD 3.44Å; S582-P584 VanDerWaalsContact O-CD 3.24Å; S582-P584 WeakPolarHBondContact O-CD 3.35Å
583	K	87.3	Confident	88.4	Confident	101 Å²	101	79.8 Å²	79.8	44%	0.439	41%	0.408	S	S	.	.			trans	-116.4	71.8	179.6	-62.3	175	-176.5	174.8	0	111.6	G581 Y585 E593 C594 V595	G581-K583 PolarHBondContact O-N 3.01Å; K583-Y585 PolarHBondContact O-N 3.08Å; K583-E593 HydrophobicContact CB-CB 3.66Å; K583-E593 HydrophobicContact CD-CB 3.89Å; K583-E593 HydrophobicContact CG-CB 4.43Å; K583-C594 CarbonylContact C-O 3.57Å; K583-C594 WeakPolarHBondContact CA-O 3.47Å; K583-V595 HydrophobicContact CG-CG1 4.47Å
584	P	88	Confident	88.5	Confident	70 Å²	70	77.4 Å²	77.4	46%	0.455	40%	0.397	S	S	.	.			trans	-66.7	-18.4	-171.5	25.1	-34.3	0	0	0	114.8	S582 K586	S582-P584 VanDerWaalsContact C-CD 3.44Å; S582-P584 VanDerWaalsContact O-CD 3.24Å; S582-P584 WeakPolarHBondContact O-CD 3.35Å; P584-K586 PolarHBondContact O-N 3.5Å
585	Y	89.7	Confident	88.5	Confident	72 Å²	72	74.4 Å²	74.4	28%	0.282	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	94.6	-177.7	-57.5	-80.5	0	0	0	110.9	K583 E593 C594 V595 N596 K597	K583-Y585 PolarHBondContact O-N 3.08Å; Y585-E593 WeakPolarHBondContact O-CA 3.46Å; Y585-C594 PolarHBondContact N-O 2.94Å; Y585-C594 VanDerWaalsContact N-O 3.12Å; Y585-C594 PolarHBondContact O-N 2.97Å; Y585-C594 PolarHBondContact O-SG 3.39Å; Y585-V595 WeakPolarHBondContact CE2-O 3.49Å; Y585-N596 VanDerWaalsContact CE2-CA 3.42Å; Y585-K597 HydrophobicContact CD1-CB 3.98Å; Y585-K597 HydrophobicContact CD1-CG 4.39Å; Y585-K597 HydrophobicContact CE1-CB 3.76Å; Y585-K597 HydrophobicContact CE1-CG 4.33Å
586	K	89.5	Confident	88.6	Confident	130 Å²	130	74.1 Å²	74.1	57%	0.565	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	150.9	175.8	-48.2	-162.8	-179.6	-144.4	0	111.6	P584 Y592 E593 L600	P584-K586 PolarHBondContact O-N 3.5Å; K586-Y592 CarbonylContact C-O 3.54Å; K586-E593 HydrophobicContact CB-CG 4.41Å; K586-E593 HydrophobicContact CD-CG 4.32Å; K586-E593 VanDerWaalsContact CD-OE1 3.27Å; K586-E593 WeakPolarHBondContact CD-OE1 3.4Å; K586-E593 WeakPolarHBondContact CE-OE1 3.41Å; K586-E593 HydrophobicContact CG-CG 3.99Å; K586-E593 IonicContact NZ-OE1 3.52Å; K586-E593 PolarHBondContact NZ-OE1 3.12Å; K586-L600 WeakPolarHBondContact O-CD2 3.42Å
587	C	92.7	Very high	88.7	Confident	12 Å²	12	79.1 Å²	79.1	8%	0.081	41%	0.407	C	S	.	.			trans	-83	133.5	171.4	-178.7	0	0	0	0	111.2	K589 C590 Y592 L600 H603 H607	C587-K589 PolarHBondContact O-N 3.23Å; C587-K589 PolarHBondContact SG-N 3.34Å; C587-C590 WeakPolarHBondContact CB-O 3.41Å; C587-Y592 PolarHBondContact N-O 2.7Å; C587-L600 HydrophobicContact CB-CD1 4.06Å; C587-H603 WeakPolarHBondContact CB-NE2 3.38Å; C587-H603 PolarHBondContact SG-NE2 3.2Å; C587-H607 VanDerWaalsContact SG-CD2 3.58Å; C587-H607 PolarHBondContact SG-NE2 2.88Å
588	P	89.9	Confident	88.6	Confident	104 Å²	104	80 Å²	80	68%	0.675	42%	0.423	S	S	*	.	S	Bend	trans	-75.3	-1.9	174.6	31.7	-36.7	0	0	0	113.9	M604	P588-M604 HydrophobicContact CG-CE 4.12Å; P588-M604 HydrophobicContact CG-SD 4.3Å
589	K	88.6	Confident	88.7	Confident	132 Å²	132	79 Å²	79	57%	0.574	42%	0.416	S	S	*	.	S	Bend	trans	-119.3	-9.6	-176.4	-69.9	-173.5	172.6	-168.8	0	114.9	C587 M604 H607	C587-K589 PolarHBondContact O-N 3.23Å; C587-K589 PolarHBondContact SG-N 3.34Å; K589-M604 HydrophobicContact CD-CE 4.26Å; K589-H607 HydrophobicContact CD-CB 3.7Å
590	C	90.4	Very high	89	Confident	50 Å²	50	76.1 Å²	76.1	34%	0.338	40%	0.403	S	S	.	.	S	Bend	trans	-164	172.4	172.3	70.7	0	0	0	0	111	C587 Y592 H603 H607	C587-C590 WeakPolarHBondContact CB-O 3.41Å; C590-Y592 PolarHBondContact O-N 3.33Å; C590-H603 VanDerWaalsContact SG-CE1 3.54Å; C590-H603 PolarHBondContact SG-NE2 2.94Å; C590-H607 PolarHBondContact SG-NE2 3.14Å
591	N	90	Very high	89.2	Confident	169 Å²	169	73.6 Å²	73.6	90%	0.904	39%	0.392	S	S	*	.	S	Bend	trans	-74.4	25.3	-176.4	-56.9	-11	0	0	0	114.2
592	Y	90	Very high	89.5	Confident	86 Å²	86	73.8 Å²	73.8	34%	0.337	39%	0.386	S	S	.	.			trans	-82.2	129.6	177.6	-178	-95	0	0	0	111.4	K586 C587 C590 C594 H603	K586-Y592 CarbonylContact C-O 3.54Å; C587-Y592 PolarHBondContact N-O 2.7Å; C590-Y592 PolarHBondContact O-N 3.33Å; Y592-C594 HydrophobicContact CE1-CB 3.88Å; Y592-H603 VanDerWaalsContact CB-CE1 3.49Å; Y592-H603 WeakPolarHBondContact CB-CE1 3.38Å; Y592-H603 HydrophobicContact CD1-CB 3.95Å; Y592-H603 AromaticContact CD1-CD2 3.59Å; Y592-H603 AromaticContact CD1-CE1 3.85Å; Y592-H603 AromaticContact CD1-CG 3.4Å; Y592-H603 AromaticContact CD1-ND1 3.57Å; Y592-H603 AromaticContact CD1-NE2 3.87Å; Y592-H603 HydrophobicContact CE1-CB 3.75Å; Y592-H603 AromaticContact CE1-CG 3.73Å; Y592-H603 AromaticContact CG-CE1 3.61Å; Y592-H603 AromaticContact CG-CG 3.95Å; Y592-H603 AromaticContact CG-ND1 3.62Å; Y592-H603 AromaticContact CG-NE2 3.93Å
593	E	91.9	Very high	89.7	Confident	71 Å²	71	72.7 Å²	72.7	33%	0.332	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	143.8	-179.9	-49.8	-173.1	156.5	0	0	111.3	K583 Y585 K586	K583-E593 HydrophobicContact CB-CB 3.66Å; K583-E593 HydrophobicContact CD-CB 3.89Å; K583-E593 HydrophobicContact CG-CB 4.43Å; Y585-E593 WeakPolarHBondContact O-CA 3.46Å; K586-E593 HydrophobicContact CB-CG 4.41Å; K586-E593 HydrophobicContact CD-CG 4.32Å; K586-E593 VanDerWaalsContact CD-OE1 3.27Å; K586-E593 WeakPolarHBondContact CD-OE1 3.4Å; K586-E593 WeakPolarHBondContact CE-OE1 3.41Å; K586-E593 HydrophobicContact CG-CG 3.99Å; K586-E593 IonicContact NZ-OE1 3.52Å; K586-E593 PolarHBondContact NZ-OE1 3.12Å
594	C	90.1	Very high	89.7	Confident	4 Å²	4	70.7 Å²	70.7	3%	0.027	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	167.8	-179.1	64.8	0	0	0	0	114.4	K583 Y585 Y592 N596 M599 L600	K583-C594 CarbonylContact C-O 3.57Å; K583-C594 WeakPolarHBondContact CA-O 3.47Å; Y585-C594 PolarHBondContact N-O 2.94Å; Y585-C594 VanDerWaalsContact N-O 3.12Å; Y585-C594 PolarHBondContact O-N 2.97Å; Y585-C594 PolarHBondContact O-SG 3.39Å; Y592-C594 HydrophobicContact CE1-CB 3.88Å; C594-N596 PolarHBondContact SG-O 2.88Å; C594-M599 HydrophobicContact CB-CB 3.91Å; C594-M599 HydrophobicContact CB-CE 4.04Å; C594-M599 HydrophobicContact CB-SD 4.41Å; C594-L600 PolarHBondContact SG-N 2.8Å; C594-L600 VanDerWaalsContact SG-N 3.39Å
595	V	91.5	Very high	89.7	Confident	12 Å²	12	71.4 Å²	71.4	7%	0.073	36%	0.364	C	S	.	.	S	Bend	trans	-84	-15.3	-171.6	-60.5	0	0	0	0	115.3	R577 K583 Y585 M599	R577-V595 HydrophobicContact CB-CB 4.22Å; R577-V595 HydrophobicContact CB-CG1 4.02Å; R577-V595 PolarHBondContact NH1-O 3.35Å; K583-V595 HydrophobicContact CG-CG1 4.47Å; Y585-V595 WeakPolarHBondContact CE2-O 3.49Å; V595-M599 HydrophobicContact CG2-SD 4.06Å
596	N	90.4	Very high	89.5	Confident	23 Å²	23	70.3 Å²	70.3	12%	0.123	37%	0.367	C	S	.	.	S	Bend	trans	-145.5	151.6	179	70	66.2	0	0	0	114	Y574 Y585 C594 S598 M599 L600	Y574-N596 HydrophobicContact CD1-CB 3.89Å; Y574-N596 HydrophobicContact CD2-CB 4.46Å; Y574-N596 HydrophobicContact CE1-CB 3.61Å; Y574-N596 HydrophobicContact CE2-CB 4.23Å; Y574-N596 HydrophobicContact CG-CB 4.33Å; Y585-N596 VanDerWaalsContact CE2-CA 3.42Å; C594-N596 PolarHBondContact SG-O 2.88Å; N596-S598 PolarHBondContact O-N 3.36Å; N596-S598 WeakPolarHBondContact OD1-CB 3.43Å; N596-S598 PolarHBondContact OD1-N 2.94Å; N596-M599 PolarHBondContact ND2-SD 3.01Å; N596-M599 VanDerWaalsContact ND2-SD 3.44Å; N596-M599 PolarHBondContact O-N 3.21Å; N596-M599 WeakPolarHBondContact OD1-CG 3.39Å; N596-M599 PolarHBondContact OD1-N 3.26Å; N596-L600 PolarHBondContact O-N 2.98Å
597	K	90.3	Very high	89.4	Confident	130 Å²	130	66.7 Å²	66.7	57%	0.565	35%	0.352	S	S	*	.	H	α-helix	trans	-61.5	-25.6	-178.3	-165.6	168.6	-177	170.6	0	113.7	Y585 L600 N601	Y585-K597 HydrophobicContact CD1-CB 3.98Å; Y585-K597 HydrophobicContact CD1-CG 4.39Å; Y585-K597 HydrophobicContact CE1-CB 3.76Å; Y585-K597 HydrophobicContact CE1-CG 4.33Å; K597-L600 PolarHBondContact O-N 3.05Å; K597-N601 WeakPolarHBondContact O-CB 3.49Å; K597-N601 VanDerWaalsContact O-CG 3.32Å; K597-N601 PolarHBondContact O-N 3.39Å
598	S	88	Confident	88.8	Confident	83 Å²	83	67.6 Å²	67.6	58%	0.58	36%	0.358	S	S	*	.	H	α-helix	trans	-72.2	-34.2	178.4	-58.8	0	0	0	0	112.9	N596 S602	N596-S598 PolarHBondContact O-N 3.36Å; N596-S598 WeakPolarHBondContact OD1-CB 3.43Å; N596-S598 PolarHBondContact OD1-N 2.94Å; S598-S602 WeakPolarHBondContact O-CB 3.48Å; S598-S602 PolarHBondContact O-N 3.06Å; S598-S602 VanDerWaalsContact O-N 3.12Å; S598-S602 PolarHBondContact O-OG 2.84Å
599	M	88.6	Confident	88.3	Confident	78 Å²	78	69.8 Å²	69.8	38%	0.384	36%	0.364	S	S	.	.	H	α-helix	trans	-67	-46.3	170.3	-72.2	173.4	70.4	0	0	110.3	C594 V595 N596 N601 S602 H603	C594-M599 HydrophobicContact CB-CB 3.91Å; C594-M599 HydrophobicContact CB-CE 4.04Å; C594-M599 HydrophobicContact CB-SD 4.41Å; V595-M599 HydrophobicContact CG2-SD 4.06Å; N596-M599 PolarHBondContact ND2-SD 3.01Å; N596-M599 VanDerWaalsContact ND2-SD 3.44Å; N596-M599 PolarHBondContact O-N 3.21Å; N596-M599 WeakPolarHBondContact OD1-CG 3.39Å; N596-M599 PolarHBondContact OD1-N 3.26Å; M599-N601 PolarHBondContact O-N 2.87Å; M599-S602 WeakPolarHBondContact O-CB 3.36Å; M599-S602 PolarHBondContact O-N 2.93Å; M599-S602 VanDerWaalsContact O-N 3.09Å; M599-H603 WeakPolarHBondContact O-CB 3.47Å; M599-H603 PolarHBondContact O-N 3.44Å
600	L	91.6	Very high	87.9	Confident	23 Å²	23	65.6 Å²	65.6	12%	0.12	35%	0.35	C	S	.	.	H	α-helix	trans	-58.1	-49.6	175.3	178.6	58.2	0	0	0	111.6	K586 C587 C594 N596 K597 S602 H603 M604	K586-L600 WeakPolarHBondContact O-CD2 3.42Å; C587-L600 HydrophobicContact CB-CD1 4.06Å; C594-L600 PolarHBondContact SG-N 2.8Å; C594-L600 VanDerWaalsContact SG-N 3.39Å; N596-L600 PolarHBondContact O-N 2.98Å; K597-L600 PolarHBondContact O-N 3.05Å; L600-S602 PolarHBondContact O-N 3.29Å; L600-H603 CarbonylContact O-C 3.35Å; L600-H603 PolarHBondContact O-N 3.43Å; L600-H603 VanDerWaalsContact O-N 3.12Å; L600-M604 HydrophobicContact CD1-CG 4.12Å; L600-M604 HydrophobicContact CD1-SD 4.24Å; L600-M604 HydrophobicContact CG-CG 4.37Å; L600-M604 WeakPolarHBondContact O-CG 3.23Å; L600-M604 PolarHBondContact O-N 3.21Å
601	N	89.2	Confident	87.6	Confident	93 Å²	93	65.2 Å²	65.2	50%	0.497	34%	0.342	S	S	.	.	H	α-helix	trans	-62.1	-23.8	176.9	-75.3	-4.7	0	0	0	113.8	K597 M599	K597-N601 WeakPolarHBondContact O-CB 3.49Å; K597-N601 VanDerWaalsContact O-CG 3.32Å; K597-N601 PolarHBondContact O-N 3.39Å; M599-N601 PolarHBondContact O-N 2.87Å
602	S	87.1	Confident	87.3	Confident	58 Å²	58	57.8 Å²	57.8	41%	0.406	30%	0.303	S	S	.	.	H	α-helix	trans	-80.5	-44	173.5	-58.1	0	0	0	0	110.8	S598 M599 L600 K605 Y624	S598-S602 WeakPolarHBondContact O-CB 3.48Å; S598-S602 PolarHBondContact O-N 3.06Å; S598-S602 VanDerWaalsContact O-N 3.12Å; S598-S602 PolarHBondContact O-OG 2.84Å; M599-S602 WeakPolarHBondContact O-CB 3.36Å; M599-S602 PolarHBondContact O-N 2.93Å; M599-S602 VanDerWaalsContact O-N 3.09Å; L600-S602 PolarHBondContact O-N 3.29Å; S602-K605 WeakPolarHBondContact O-CB 3.45Å; S602-K605 PolarHBondContact O-N 3.43Å; S602-Y624 PolarHBondContact O-OH 3.01Å
603	H	89.3	Confident	87.1	Confident	26 Å²	26	54.2 Å²	54.2	12%	0.12	29%	0.288	C	S	.	.	H	α-helix	trans	-61.4	-40.2	173.9	166.1	78.9	0	0	0	112.6	C587 C590 Y592 M599 L600 K605 S606 H607	C587-H603 WeakPolarHBondContact CB-NE2 3.38Å; C587-H603 PolarHBondContact SG-NE2 3.2Å; C590-H603 VanDerWaalsContact SG-CE1 3.54Å; C590-H603 PolarHBondContact SG-NE2 2.94Å; Y592-H603 VanDerWaalsContact CB-CE1 3.49Å; Y592-H603 WeakPolarHBondContact CB-CE1 3.38Å; Y592-H603 HydrophobicContact CD1-CB 3.95Å; Y592-H603 AromaticContact CD1-CD2 3.59Å; Y592-H603 AromaticContact CD1-CE1 3.85Å; Y592-H603 AromaticContact CD1-CG 3.4Å; Y592-H603 AromaticContact CD1-ND1 3.57Å; Y592-H603 AromaticContact CD1-NE2 3.87Å; Y592-H603 HydrophobicContact CE1-CB 3.75Å; Y592-H603 AromaticContact CE1-CG 3.73Å; Y592-H603 AromaticContact CG-CE1 3.61Å; Y592-H603 AromaticContact CG-CG 3.95Å; Y592-H603 AromaticContact CG-ND1 3.62Å; Y592-H603 AromaticContact CG-NE2 3.93Å; M599-H603 WeakPolarHBondContact O-CB 3.47Å; M599-H603 PolarHBondContact O-N 3.44Å; L600-H603 CarbonylContact O-C 3.35Å; L600-H603 PolarHBondContact O-N 3.43Å; L600-H603 VanDerWaalsContact O-N 3.12Å; H603-K605 PolarHBondContact O-N 3.38Å; H603-S606 WeakPolarHBondContact O-CB 3.33Å; H603-S606 PolarHBondContact O-N 3.38Å; H603-S606 PolarHBondContact O-OG 3.26Å; H603-H607 AromaticContact CE1-NE2 3.7Å; H603-H607 AromaticContact NE2-CD2 3.52Å; H603-H607 AromaticContact NE2-NE2 3.28Å; H603-H607 PolarHBondContact NE2-NE2 3.28Å
604	M	87.9	Confident	86.7	Confident	59 Å²	59	56.4 Å²	56.4	29%	0.291	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-18.5	177.4	-73.1	-54.9	-65.3	0	0	113.7	P588 K589 L600 H607	P588-M604 HydrophobicContact CG-CE 4.12Å; P588-M604 HydrophobicContact CG-SD 4.3Å; K589-M604 HydrophobicContact CD-CE 4.26Å; L600-M604 HydrophobicContact CD1-CG 4.12Å; L600-M604 HydrophobicContact CD1-SD 4.24Å; L600-M604 HydrophobicContact CG-CG 4.37Å; L600-M604 WeakPolarHBondContact O-CG 3.23Å; L600-M604 PolarHBondContact O-N 3.21Å; M604-H607 PolarHBondContact O-N 2.78Å
605	K	87.2	Confident	86.5	Confident	84 Å²	84	56.5 Å²	56.5	37%	0.365	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-28.4	172.6	-57.6	-175.4	179.6	-173.5	0	113	S602 H603 H607 S608 K623 Y624	S602-K605 WeakPolarHBondContact O-CB 3.45Å; S602-K605 PolarHBondContact O-N 3.43Å; H603-K605 PolarHBondContact O-N 3.38Å; K605-H607 PolarHBondContact O-N 3.49Å; K605-S608 PolarHBondContact O-N 2.9Å; K605-S608 PolarHBondContact O-OG 3.19Å; K605-K623 WeakPolarHBondContact O-CD 3.17Å; K605-Y624 HydrophobicContact CB-CE1 4.42Å; K605-Y624 HydrophobicContact CD-CE1 4.38Å
606	S	86.1	Confident	86	Confident	49 Å²	49	59.6 Å²	59.6	34%	0.343	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-33	173.7	68.3	0	0	0	0	111.4	H603 S608 K623	H603-S606 WeakPolarHBondContact O-CB 3.33Å; H603-S606 PolarHBondContact O-N 3.38Å; H603-S606 PolarHBondContact O-OG 3.26Å; S606-S608 VanDerWaalsContact C-N 3.27Å; S606-S608 PolarHBondContact O-N 2.73Å; S606-K623 PolarHBondContact O-NZ 3.36Å
607	H	86.4	Confident	85.6	Confident	54 Å²	54	62.7 Å²	62.7	25%	0.25	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	9.9	175.7	-70.5	-67.4	0	0	0	115.8	C587 K589 C590 H603 M604 K605	C587-H607 VanDerWaalsContact SG-CD2 3.58Å; C587-H607 PolarHBondContact SG-NE2 2.88Å; K589-H607 HydrophobicContact CD-CB 3.7Å; C590-H607 PolarHBondContact SG-NE2 3.14Å; H603-H607 AromaticContact CE1-NE2 3.7Å; H603-H607 AromaticContact NE2-CD2 3.52Å; H603-H607 AromaticContact NE2-NE2 3.28Å; H603-H607 PolarHBondContact NE2-NE2 3.28Å; M604-H607 PolarHBondContact O-N 2.78Å; K605-H607 PolarHBondContact O-N 3.49Å
608	S	81.5	Confident	85.4	Confident	31 Å²	31	58.4 Å²	58.4	22%	0.217	32%	0.324	C	S	.	.	S	Bend	trans	-102.6	146.9	162.4	77.8	0	0	0	0	110.1	K605 S606 V610 K623	K605-S608 PolarHBondContact O-N 2.9Å; K605-S608 PolarHBondContact O-OG 3.19Å; S606-S608 VanDerWaalsContact C-N 3.27Å; S606-S608 PolarHBondContact O-N 2.73Å; S608-V610 PolarHBondContact O-N 3.46Å; S608-K623 WeakPolarHBondContact O-CE 3.35Å; S608-K623 PolarHBondContact O-NZ 3.02Å
609	N	79.3	Confident	85.3	Confident	150 Å²	150	62.5 Å²	62.5	80%	0.802	33%	0.333	S	S	*	.			trans	-88.5	16.5	172.7	-63.5	1.8	0	0	0	111.3
610	V	80	Confident	85.2	Confident	45 Å²	45	61.8 Å²	61.8	27%	0.273	33%	0.327	S	S	.	.			trans	-101.3	126.3	-175.5	-174.4	0	0	0	0	109.4	S608 P612	S608-V610 PolarHBondContact O-N 3.46Å; V610-P612 VanDerWaalsContact C-CD 3.47Å; V610-P612 WeakPolarHBondContact O-CD 3.39Å
611	Y	83.8	Confident	85	Confident	42 Å²	42	61.8 Å²	61.8	17%	0.165	33%	0.33	C	S	.	.			trans	-113.3	75.3	-177.3	-75.6	-99.9	0	0	0	110.3	Y613 A621 K623 D846 P847 F848	Y611-Y613 PolarHBondContact O-N 2.91Å; Y611-Y613 VanDerWaalsContact O-N 3.11Å; Y611-A621 HydrophobicContact CD1-CB 4.29Å; Y611-A621 HydrophobicContact CG-CB 4.46Å; Y611-K623 HydrophobicContact CD1-CG 4.27Å; Y611-K623 HydrophobicContact CE1-CD 4.49Å; Y611-K623 HydrophobicContact CE1-CG 4.28Å; Y611-K623 PolarHBondContact OH-NZ 3.18Å; Y611-D846 PolarHBondContact OH-OD1 3.26Å; Y611-P847 HydrophobicContact CE1-CG 4.45Å; Y611-P847 WeakPolarHBondContact OH-CD 3.36Å; Y611-F848 HydrophobicContact CD1-CE2 4.4Å; Y611-F848 HydrophobicContact CE1-CD2 4.15Å; Y611-F848 AromaticContact CE1-CE2 3.34Å; Y611-F848 HydrophobicContact CE1-CE2 3.34Å; Y611-F848 AromaticContact CE1-CZ 3.96Å; Y611-F848 HydrophobicContact CE1-CZ 3.96Å; Y611-F848 AromaticContact CZ-CE2 3.7Å; Y611-F848 WeakPolarHBondContact OH-CD2 3.49Å; Y611-F848 WeakPolarHBondContact OH-CE2 3.41Å
612	P	82.6	Confident	84.8	Confident	13 Å²	13	57.4 Å²	57.4	8%	0.084	31%	0.307	C	S	.	.			trans	-69.3	-10.4	-166.9	27.3	-36.5	0	0	0	115.4	V610 V642 L643 I667	V610-P612 VanDerWaalsContact C-CD 3.47Å; V610-P612 WeakPolarHBondContact O-CD 3.39Å; P612-V642 CarbonylContact O-C 3.56Å; P612-V642 WeakPolarHBondContact O-CA 3.36Å; P612-L643 PolarHBondContact O-N 3.01Å; P612-I667 HydrophobicContact CB-CD1 4.19Å; P612-I667 HydrophobicContact CG-CD1 4.25Å
613	Y	85.6	Confident	84.8	Confident	10 Å²	10	55 Å²	55	4%	0.039	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	110.1	178.5	-55.5	-74.9	0	0	0	109.6	Y611 A621 T622 C625 L628 V642 G664 P665	Y611-Y613 PolarHBondContact O-N 2.91Å; Y611-Y613 VanDerWaalsContact O-N 3.11Å; Y613-A621 CarbonylContact O-C 3.04Å; Y613-A621 VanDerWaalsContact O-CA 3.25Å; Y613-A621 WeakPolarHBondContact O-CA 3.35Å; Y613-T622 WeakPolarHBondContact CD2-O 3.49Å; Y613-T622 PolarHBondContact N-O 3.03Å; Y613-T622 PolarHBondContact O-N 2.76Å; Y613-C625 HydrophobicContact CD1-CB 4.18Å; Y613-C625 HydrophobicContact CE1-CB 3.71Å; Y613-C625 HydrophobicContact CE2-CB 4.2Å; Y613-L628 HydrophobicContact CD1-CD2 4.48Å; Y613-V642 HydrophobicContact CD1-CG2 4.31Å; Y613-V642 HydrophobicContact CE1-CG1 4.41Å; Y613-V642 HydrophobicContact CE1-CG2 4.36Å; Y613-G664 VanDerWaalsContact OH-CA 3.24Å; Y613-G664 WeakPolarHBondContact OH-CA 3.2Å; Y613-P665 WeakPolarHBondContact OH-CD 3.4Å
614	R	84.1	Confident	84.7	Confident	118 Å²	118	56.8 Å²	56.8	45%	0.445	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	142.5	-178.7	-177.2	169.7	175.3	162.6	-1.2	111.1	A621 A640 L643	R614-A621 HydrophobicContact CB-CB 4.27Å; R614-A621 HydrophobicContact CG-CB 4.28Å; R614-A640 VanDerWaalsContact O-CB 3.25Å; R614-A640 WeakPolarHBondContact O-CB 3.46Å; R614-L643 HydrophobicContact CB-CD1 4.16Å; R614-L643 HydrophobicContact CB-CG 4.43Å
615	C	86.4	Confident	84.6	Confident	5 Å²	5	54.8 Å²	54.8	3%	0.034	29%	0.287	C	S	.	.			trans	-77.7	146.9	170.6	-170.4	0	0	0	0	111	N617 C618 Y620 L628 H631 H637	C615-N617 PolarHBondContact SG-N 3.36Å; C615-N617 VanDerWaalsContact SG-N 3.42Å; C615-C618 VanDerWaalsContact O-O 3.09Å; C615-Y620 PolarHBondContact N-O 3Å; C615-L628 HydrophobicContact CB-CD1 4.35Å; C615-H631 PolarHBondContact SG-NE2 3.47Å; C615-H631 VanDerWaalsContact SG-NE2 3.43Å; C615-H637 PolarHBondContact SG-ND1 3.17Å
616	A	81.4	Confident	84.5	Confident	78 Å²	78	56.3 Å²	56.3	65%	0.645	30%	0.295	S	S	*	.	S	Bend	trans	-84.5	-35.3	172.8	0	0	0	0	0	111.6	A640	A616-A640 HydrophobicContact CB-CB 3.54Å
617	N	81.3	Confident	84.6	Confident	88 Å²	88	54.7 Å²	54.7	47%	0.471	28%	0.284	S	S	.	.	S	Bend	trans	-77.8	-15.5	-177.4	-68.7	83.1	0	0	0	114.1	C615 H637 K638	C615-N617 PolarHBondContact SG-N 3.36Å; C615-N617 VanDerWaalsContact SG-N 3.42Å; N617-H637 HydrophobicContact CB-CB 3.89Å; N617-H637 VanDerWaalsContact CB-CD2 3.43Å; N617-H637 WeakPolarHBondContact CB-CD2 3.45Å; N617-K638 PolarHBondContact OD1-N 3.29Å
618	C	86.5	Confident	84.7	Confident	39 Å²	39	52.1 Å²	52.1	26%	0.264	27%	0.272	S	S	.	.	S	Bend	trans	-157.5	174.1	179.9	73.9	0	0	0	0	112.5	C615 Y620 H631 H637	C615-C618 VanDerWaalsContact O-O 3.09Å; C618-Y620 PolarHBondContact O-N 2.82Å; C618-Y620 VanDerWaalsContact O-N 3.15Å; C618-Y620 VanDerWaalsContact SG-CB 3.55Å; C618-Y620 PolarHBondContact SG-N 3.43Å; C618-H631 PolarHBondContact SG-CE1 3.43Å; C618-H631 PolarHBondContact SG-NE2 3.06Å; C618-H637 PolarHBondContact SG-CE1 2.96Å
619	H	85.3	Confident	84.9	Confident	170 Å²	170	53.8 Å²	53.8	79%	0.787	28%	0.275	S	S	*	.	S	Bend	trans	-73.9	3.2	-178.9	-60.8	-91.6	0	0	0	114.9	A621	H619-A621 PolarHBondContact O-N 3.33Å
620	Y	86.7	Confident	85.3	Confident	62 Å²	62	50.7 Å²	50.7	24%	0.243	26%	0.258	C	S	.	.			trans	-64.8	121.8	178.7	-175.2	-98.1	0	0	0	111.6	C615 C618 T622 L628 H631	C615-Y620 PolarHBondContact N-O 3Å; C618-Y620 PolarHBondContact O-N 2.82Å; C618-Y620 VanDerWaalsContact O-N 3.15Å; C618-Y620 VanDerWaalsContact SG-CB 3.55Å; C618-Y620 PolarHBondContact SG-N 3.43Å; Y620-T622 HydrophobicContact CE1-CG2 3.81Å; Y620-L628 HydrophobicContact CD1-CD1 4.32Å; Y620-H631 HydrophobicContact CD1-CB 3.72Å; Y620-H631 AromaticContact CD1-CD2 3.64Å; Y620-H631 AromaticContact CD1-CG 3.36Å; Y620-H631 AromaticContact CD1-ND1 3.71Å; Y620-H631 HydrophobicContact CE1-CB 3.56Å; Y620-H631 AromaticContact CE1-CG 3.78Å; Y620-H631 HydrophobicContact CG-CB 4.43Å; Y620-H631 AromaticContact CG-CE1 3.85Å; Y620-H631 AromaticContact CG-CG 3.78Å; Y620-H631 AromaticContact CG-ND1 3.59Å
621	A	86.6	Confident	85.5	Confident	24 Å²	24	49.2 Å²	49.2	20%	0.198	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	151.2	173	0	0	0	0	0	110.4	Y611 Y613 R614 H619	Y611-A621 HydrophobicContact CD1-CB 4.29Å; Y611-A621 HydrophobicContact CG-CB 4.46Å; Y613-A621 CarbonylContact O-C 3.04Å; Y613-A621 VanDerWaalsContact O-CA 3.25Å; Y613-A621 WeakPolarHBondContact O-CA 3.35Å; R614-A621 HydrophobicContact CB-CB 4.27Å; R614-A621 HydrophobicContact CG-CB 4.28Å; H619-A621 PolarHBondContact O-N 3.33Å
622	T	86.7	Confident	85.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	160.1	-174.2	-177.1	0	0	0	0	113.2	Y613 Y620 Y624 L628	Y613-T622 WeakPolarHBondContact CD2-O 3.49Å; Y613-T622 PolarHBondContact N-O 3.03Å; Y613-T622 PolarHBondContact O-N 2.76Å; Y620-T622 HydrophobicContact CE1-CG2 3.81Å; T622-Y624 WeakPolarHBondContact CG2-O 3.37Å; T622-Y624 PolarHBondContact OG1-N 2.94Å; T622-L628 HydrophobicContact CG2-CB 3.86Å
623	K	85.8	Confident	86	Confident	9 Å²	9	52.7 Å²	52.7	4%	0.039	27%	0.273	C	S	.	.	S	Bend	trans	-85	-10.4	178	-66.3	169.9	176.7	169.7	0	112.5	K605 S606 S608 Y611 F848	K605-K623 WeakPolarHBondContact O-CD 3.17Å; S606-K623 PolarHBondContact O-NZ 3.36Å; S608-K623 WeakPolarHBondContact O-CE 3.35Å; S608-K623 PolarHBondContact O-NZ 3.02Å; Y611-K623 HydrophobicContact CD1-CG 4.27Å; Y611-K623 HydrophobicContact CE1-CD 4.49Å; Y611-K623 HydrophobicContact CE1-CG 4.28Å; Y611-K623 PolarHBondContact OH-NZ 3.18Å; K623-F848 HydrophobicContact CB-CZ 3.95Å; K623-F848 HydrophobicContact CD-CE2 3.48Å; K623-F848 VanDerWaalsContact CD-CE2 3.48Å; K623-F848 HydrophobicContact CD-CZ 3.74Å; K623-F848 HydrophobicContact CG-CE2 3.95Å; K623-F848 HydrophobicContact CG-CZ 3.81Å
624	Y	87.2	Confident	86	Confident	63 Å²	63	58.4 Å²	58.4	25%	0.247	30%	0.298	C	S	.	.			trans	-130.7	127.5	-175.3	-49.1	-73.5	0	0	0	114.3	S602 K605 T622 H626 S627 L628	S602-Y624 PolarHBondContact O-OH 3.01Å; K605-Y624 HydrophobicContact CB-CE1 4.42Å; K605-Y624 HydrophobicContact CD-CE1 4.38Å; T622-Y624 WeakPolarHBondContact CG2-O 3.37Å; T622-Y624 PolarHBondContact OG1-N 2.94Å; Y624-H626 VanDerWaalsContact C-N 3.26Å; Y624-H626 AromaticContact CG-CE1 3.94Å; Y624-H626 PolarHBondContact O-N 3.14Å; Y624-S627 WeakPolarHBondContact O-CB 3.32Å; Y624-S627 PolarHBondContact O-N 2.7Å; Y624-L628 PolarHBondContact O-N 3.41Å
625	C	86.3	Confident	86	Confident	17 Å²	17	57.3 Å²	57.3	12%	0.115	30%	0.298	C	S	.	.	H	α-helix	trans	-53.1	-37.7	177	170.2	0	0	0	0	113.7	Y613 S627 L628 K629	Y613-C625 HydrophobicContact CD1-CB 4.18Å; Y613-C625 HydrophobicContact CE1-CB 3.71Å; Y613-C625 HydrophobicContact CE2-CB 4.2Å; C625-S627 VanDerWaalsContact C-N 3.34Å; C625-S627 PolarHBondContact O-N 3.4Å; C625-L628 PolarHBondContact O-N 3.38Å; C625-K629 WeakPolarHBondContact O-CG 3.26Å; C625-K629 PolarHBondContact O-N 2.89Å
626	H	84.8	Confident	85.8	Confident	116 Å²	116	65.8 Å²	65.8	54%	0.537	34%	0.337	S	S	.	.	H	α-helix	trans	-67.8	-34.1	179.2	73	-99	0	0	0	112.4	Y624 K629 L630	Y624-H626 VanDerWaalsContact C-N 3.26Å; Y624-H626 AromaticContact CG-CE1 3.94Å; Y624-H626 PolarHBondContact O-N 3.14Å; H626-K629 PolarHBondContact O-N 2.72Å; H626-L630 WeakPolarHBondContact O-CG 3.49Å; H626-L630 PolarHBondContact O-N 2.96Å
627	S	88.1	Confident	85.8	Confident	15 Å²	15	64.2 Å²	64.2	11%	0.105	32%	0.316	C	S	.	.	H	α-helix	trans	-69.9	-38.8	176.6	-44.4	0	0	0	0	111.1	Y624 C625 L630 H631	Y624-S627 WeakPolarHBondContact O-CB 3.32Å; Y624-S627 PolarHBondContact O-N 2.7Å; C625-S627 VanDerWaalsContact C-N 3.34Å; C625-S627 PolarHBondContact O-N 3.4Å; S627-L630 PolarHBondContact O-N 3.17Å; S627-H631 WeakPolarHBondContact O-CB 3.33Å; S627-H631 PolarHBondContact O-N 2.65Å
628	L	88.5	Confident	85.1	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-64.3	-44	171.5	-179.5	62.3	0	0	0	110.7	Y613 C615 Y620 T622 Y624 C625 L630 H631 L632 L658	Y613-L628 HydrophobicContact CD1-CD2 4.48Å; C615-L628 HydrophobicContact CB-CD1 4.35Å; Y620-L628 HydrophobicContact CD1-CD1 4.32Å; T622-L628 HydrophobicContact CG2-CB 3.86Å; Y624-L628 PolarHBondContact O-N 3.41Å; C625-L628 PolarHBondContact O-N 3.38Å; L628-L630 VanDerWaalsContact C-N 3.35Å; L628-L630 PolarHBondContact O-N 3.48Å; L628-H631 PolarHBondContact O-N 3.21Å; L628-L632 HydrophobicContact CD1-CD1 4.32Å; L628-L632 HydrophobicContact CD1-CD2 4.24Å; L628-L632 HydrophobicContact CD1-CG 4Å; L628-L632 HydrophobicContact CD2-CD1 4.46Å; L628-L632 HydrophobicContact CG-CD1 3.96Å; L628-L632 HydrophobicContact CG-CG 4.12Å; L628-L632 VanDerWaalsContact O-CG 3.26Å; L628-L632 WeakPolarHBondContact O-CG 3.47Å; L628-L632 PolarHBondContact O-N 3.42Å; L628-L658 HydrophobicContact CD2-CD1 3.64Å
629	K	86.1	Confident	83.9	Confident	66 Å²	66	68.7 Å²	68.7	29%	0.287	33%	0.334	S	S	.	.	H	α-helix	trans	-58.3	-45.3	176.3	-74.1	-179.5	175.8	-169.9	0	112	C625 H626 L632 T633 L658 V661	C625-K629 WeakPolarHBondContact O-CG 3.26Å; C625-K629 PolarHBondContact O-N 2.89Å; H626-K629 PolarHBondContact O-N 2.72Å; K629-L632 PolarHBondContact O-N 3.21Å; K629-T633 PolarHBondContact O-N 3.37Å; K629-T633 PolarHBondContact O-OG1 3.25Å; K629-T633 VanDerWaalsContact O-OG1 3.07Å; K629-L658 WeakPolarHBondContact CE-O 3.4Å; K629-L658 PolarHBondContact NZ-O 3.26Å; K629-V661 PolarHBondContact NZ-O 3.34Å
630	L	86.7	Confident	82.9	Confident	85 Å²	85	61.3 Å²	61.3	45%	0.445	30%	0.302	S	S	.	.	H	α-helix	trans	-60.9	-44.1	174.7	-75.4	167.2	0	0	0	112.4	H626 S627 L628 T633 K634	H626-L630 WeakPolarHBondContact O-CG 3.49Å; H626-L630 PolarHBondContact O-N 2.96Å; S627-L630 PolarHBondContact O-N 3.17Å; L628-L630 VanDerWaalsContact C-N 3.35Å; L628-L630 PolarHBondContact O-N 3.48Å; L630-T633 WeakPolarHBondContact CA-OG1 3.22Å; L630-T633 PolarHBondContact O-N 3.37Å; L630-T633 PolarHBondContact O-OG1 3.22Å; L630-K634 WeakPolarHBondContact O-CB 3.44Å; L630-K634 PolarHBondContact O-N 3.24Å
631	H	85.9	Confident	81.7	Confident	14 Å²	14	61.3 Å²	61.3	7%	0.065	31%	0.308	C	S	.	.	H	α-helix	trans	-60.8	-49.5	175.7	167.3	80.6	0	0	0	112.1	C615 C618 Y620 S627 L628 T633 K634 H635 H637	C615-H631 PolarHBondContact SG-NE2 3.47Å; C615-H631 VanDerWaalsContact SG-NE2 3.43Å; C618-H631 PolarHBondContact SG-CE1 3.43Å; C618-H631 PolarHBondContact SG-NE2 3.06Å; Y620-H631 HydrophobicContact CD1-CB 3.72Å; Y620-H631 AromaticContact CD1-CD2 3.64Å; Y620-H631 AromaticContact CD1-CG 3.36Å; Y620-H631 AromaticContact CD1-ND1 3.71Å; Y620-H631 HydrophobicContact CE1-CB 3.56Å; Y620-H631 AromaticContact CE1-CG 3.78Å; Y620-H631 HydrophobicContact CG-CB 4.43Å; Y620-H631 AromaticContact CG-CE1 3.85Å; Y620-H631 AromaticContact CG-CG 3.78Å; Y620-H631 AromaticContact CG-ND1 3.59Å; S627-H631 WeakPolarHBondContact O-CB 3.33Å; S627-H631 PolarHBondContact O-N 2.65Å; L628-H631 PolarHBondContact O-N 3.21Å; H631-T633 VanDerWaalsContact C-N 3.27Å; H631-T633 PolarHBondContact O-N 3.44Å; H631-K634 PolarHBondContact O-N 3.47Å; H631-K634 VanDerWaalsContact O-N 3.07Å; H631-H635 AromaticContact CE1-CD2 3.65Å; H631-H635 AromaticContact ND1-CD2 3.39Å; H631-H635 PolarHBondContact ND1-CD2 3.28Å; H631-H635 AromaticContact ND1-NE2 3.95Å; H631-H635 PolarHBondContact O-CD2 3.31Å; H631-H635 PolarHBondContact O-N 2.91Å; H631-H637 AromaticContact CE1-CE1 3.82Å; H631-H637 AromaticContact CE1-ND1 3.46Å; H631-H637 PolarHBondContact CE1-ND1 3.44Å; H631-H637 AromaticContact NE2-CE1 3.73Å; H631-H637 AromaticContact NE2-ND1 2.96Å; H631-H637 PolarHBondContact NE2-ND1 3.09Å
632	L	87.8	Confident	80.6	Confident	20 Å²	20	62 Å²	62	11%	0.105	31%	0.31	C	S	.	.	H	α-helix	trans	-58.2	-39.7	177.3	-65.7	172.7	0	0	0	111.3	L628 K629 E636 H637 K638 P639	L628-L632 HydrophobicContact CD1-CD1 4.32Å; L628-L632 HydrophobicContact CD1-CD2 4.24Å; L628-L632 HydrophobicContact CD1-CG 4Å; L628-L632 HydrophobicContact CD2-CD1 4.46Å; L628-L632 HydrophobicContact CG-CD1 3.96Å; L628-L632 HydrophobicContact CG-CG 4.12Å; L628-L632 VanDerWaalsContact O-CG 3.26Å; L628-L632 WeakPolarHBondContact O-CG 3.47Å; L628-L632 PolarHBondContact O-N 3.42Å; K629-L632 PolarHBondContact O-N 3.21Å; L632-E636 WeakPolarHBondContact O-CA 3.21Å; L632-E636 PolarHBondContact O-N 3.35Å; L632-E636 VanDerWaalsContact O-N 3.08Å; L632-H637 HydrophobicContact CD2-CB 3.78Å; L632-H637 PolarHBondContact O-N 3.18Å; L632-K638 WeakPolarHBondContact CD2-O 3.36Å; L632-P639 HydrophobicContact CD1-CB 4.29Å
633	T	87.4	Confident	79.6	Confident	107 Å²	107	63.4 Å²	63.4	66%	0.656	32%	0.317	S	S	*	.	H	α-helix	trans	-75	-24	175.2	52.8	0	0	0	0	114.9	K629 L630 H631	K629-T633 PolarHBondContact O-N 3.37Å; K629-T633 PolarHBondContact O-OG1 3.25Å; K629-T633 VanDerWaalsContact O-OG1 3.07Å; L630-T633 WeakPolarHBondContact CA-OG1 3.22Å; L630-T633 PolarHBondContact O-N 3.37Å; L630-T633 PolarHBondContact O-OG1 3.22Å; H631-T633 VanDerWaalsContact C-N 3.27Å; H631-T633 PolarHBondContact O-N 3.44Å
634	K	86.7	Confident	78.2	Confident	131 Å²	131	66.1 Å²	66.1	57%	0.57	33%	0.332	S	S	*	.	H	α-helix	trans	-83.6	-29.1	179.7	-176.4	178.7	177.8	-174.6	0	112.5	L630 H631 S854	L630-K634 WeakPolarHBondContact O-CB 3.44Å; L630-K634 PolarHBondContact O-N 3.24Å; H631-K634 PolarHBondContact O-N 3.47Å; H631-K634 VanDerWaalsContact O-N 3.07Å; K634-S854 PolarHBondContact NZ-OG 2.69Å
635	H	83.5	Confident	76.9	Confident	95 Å²	95	66.6 Å²	66.6	44%	0.44	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	9.1	-175.3	-62	-87.4	0	0	0	113.5	H631 H637	H631-H635 AromaticContact CE1-CD2 3.65Å; H631-H635 AromaticContact ND1-CD2 3.39Å; H631-H635 PolarHBondContact ND1-CD2 3.28Å; H631-H635 AromaticContact ND1-NE2 3.95Å; H631-H635 PolarHBondContact O-CD2 3.31Å; H631-H635 PolarHBondContact O-N 2.91Å; H635-H637 PolarHBondContact O-CD2 3.12Å; H635-H637 PolarHBondContact O-N 2.8Å
636	E	81.5	Confident	75.7	Confident	182 Å²	182	71.3 Å²	71.3	85%	0.85	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	22.6	-178.8	-53.3	-165.2	149.9	0	0	114.7	L632	L632-E636 WeakPolarHBondContact O-CA 3.21Å; L632-E636 PolarHBondContact O-N 3.35Å; L632-E636 VanDerWaalsContact O-N 3.08Å
637	H	82.1	Confident	74.5	Confident	45 Å²	45	67.6 Å²	67.6	21%	0.208	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-70.2	147.3	-177.5	-70.6	168.1	0	0	0	111.9	C615 N617 C618 H631 L632 H635	C615-H637 PolarHBondContact SG-ND1 3.17Å; N617-H637 HydrophobicContact CB-CB 3.89Å; N617-H637 VanDerWaalsContact CB-CD2 3.43Å; N617-H637 WeakPolarHBondContact CB-CD2 3.45Å; C618-H637 PolarHBondContact SG-CE1 2.96Å; H631-H637 AromaticContact CE1-CE1 3.82Å; H631-H637 AromaticContact CE1-ND1 3.46Å; H631-H637 PolarHBondContact CE1-ND1 3.44Å; H631-H637 AromaticContact NE2-CE1 3.73Å; H631-H637 AromaticContact NE2-ND1 2.96Å; H631-H637 PolarHBondContact NE2-ND1 3.09Å; L632-H637 HydrophobicContact CD2-CB 3.78Å; L632-H637 PolarHBondContact O-N 3.18Å; H635-H637 PolarHBondContact O-CD2 3.12Å; H635-H637 PolarHBondContact O-N 2.8Å
638	K	66	Low	73.3	Confident	156 Å²	156	69.6 Å²	69.6	68%	0.678	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-69.4	141.7	178	-68.4	-176.1	178.2	179.6	0	110.2	N617 L632	N617-K638 PolarHBondContact OD1-N 3.29Å; L632-K638 WeakPolarHBondContact CD2-O 3.36Å
639	P	61.4	Low	71.9	Confident	66 Å²	66	75.5 Å²	75.5	43%	0.429	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-60.6	143.1	178	27	-34.7	0	0	0	110.4	L632	L632-P639 HydrophobicContact CD1-CB 4.29Å
640	A	65.5	Low	70.6	Confident	15 Å²	15	74.5 Å²	74.5	12%	0.124	41%	0.407	C	S	.	.			trans	-142.4	167.1	-160.3	0	0	0	0	0	113.2	R614 A616 V642	R614-A640 VanDerWaalsContact O-CB 3.25Å; R614-A640 WeakPolarHBondContact O-CB 3.46Å; A616-A640 HydrophobicContact CB-CB 3.54Å; A640-V642 PolarHBondContact O-N 2.84Å
641	V	60.6	Low	68.7	Low	62 Å²	62	75.7 Å²	75.7	38%	0.376	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-55.9	128.4	-164.7	-177.2	0	0	0	0	112.7	L643 L649 P650	V641-L643 HydrophobicContact CG1-CD2 4.19Å; V641-L649 HydrophobicContact CB-CD2 4.42Å; V641-L649 HydrophobicContact CG1-CD2 3.93Å; V641-L649 HydrophobicContact CG2-CD2 4.47Å; V641-P650 VanDerWaalsContact CG1-CD 3.44Å; V641-P650 HydrophobicContact CG1-CG 3.88Å
642	V	64.3	Low	66.7	Low	39 Å²	39	86.2 Å²	86.2	24%	0.236	46%	0.461	C	S	.	.	B	Isolated β-bridge	trans	-77.4	118.4	160.4	-179.1	0	0	0	0	107.4	P612 Y613 A640 L658 P665	P612-V642 CarbonylContact O-C 3.56Å; P612-V642 WeakPolarHBondContact O-CA 3.36Å; Y613-V642 HydrophobicContact CD1-CG2 4.31Å; Y613-V642 HydrophobicContact CE1-CG1 4.41Å; Y613-V642 HydrophobicContact CE1-CG2 4.36Å; A640-V642 PolarHBondContact O-N 2.84Å; V642-L658 HydrophobicContact CG2-CD1 4.18Å; V642-L658 HydrophobicContact CG2-CG 4.37Å; V642-P665 HydrophobicContact CG1-CG 4.13Å
643	L	64.6	Low	64.5	Low	28 Å²	28	92.4 Å²	92.4	15%	0.147	49%	0.494	C	S	.	.	P	Polyproline II helix	trans	-76.4	150.5	178.6	-59.6	177.2	0	0	0	110.4	P612 R614 V641 L649	P612-L643 PolarHBondContact O-N 3.01Å; R614-L643 HydrophobicContact CB-CD1 4.16Å; R614-L643 HydrophobicContact CB-CG 4.43Å; V641-L643 HydrophobicContact CG1-CD2 4.19Å; L643-L649 HydrophobicContact CD2-CD2 3.84Å
644	N	57.9	Low	62.1	Low	66 Å²	66	93.5 Å²	93.5	35%	0.353	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-66.7	167.8	172.8	-74	-27.9	0	0	0	111.4	D646 G647 S648	N644-D646 WeakPolarHBondContact CB-OD1 3.44Å; N644-D646 PolarHBondContact O-N 2.76Å; N644-D646 VanDerWaalsContact O-N 3.11Å; N644-G647 PolarHBondContact O-N 3.48Å; N644-S648 WeakPolarHBondContact CB-O 3.47Å; N644-S648 PolarHBondContact N-O 2.89Å
645	S	59.7	Low	59.8	Low	74 Å²	74	93.2 Å²	93.2	52%	0.517	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.6	-177.3	-51.3	0	0	0	0	114.8
646	D	60.7	Low	58.1	Low	115 Å²	115	93.4 Å²	93.4	62%	0.615	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-5.1	176.6	63.9	-21	0	0	0	113.2	N644 S648	N644-D646 WeakPolarHBondContact CB-OD1 3.44Å; N644-D646 PolarHBondContact O-N 2.76Å; N644-D646 VanDerWaalsContact O-N 3.11Å; D646-S648 VanDerWaalsContact CG-OG 3.24Å; D646-S648 VanDerWaalsContact OD1-CB 3.31Å; D646-S648 WeakPolarHBondContact OD1-CB 3.41Å; D646-S648 PolarHBondContact OD1-N 3.12Å; D646-S648 PolarHBondContact OD1-OG 3.4Å; D646-S648 VanDerWaalsContact OD2-CB 3.22Å; D646-S648 WeakPolarHBondContact OD2-CB 3.4Å; D646-S648 PolarHBondContact OD2-OG 3Å
647	G	59.8	Low	56.2	Low	39 Å²	39	90.7 Å²	90.7	40%	0.402	50%	0.5	S	S	.	.	S	Bend	trans	87.6	-3.5	-173.1	0	0	0	0	0	114.8	N644	N644-G647 PolarHBondContact O-N 3.48Å
648	S	63.5	Low	54.8	Low	56 Å²	56	89.3 Å²	89.3	39%	0.392	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-68	152.9	178.4	-65.5	0	0	0	0	112.1	N644 D646	N644-S648 WeakPolarHBondContact CB-O 3.47Å; N644-S648 PolarHBondContact N-O 2.89Å; D646-S648 VanDerWaalsContact CG-OG 3.24Å; D646-S648 VanDerWaalsContact OD1-CB 3.31Å; D646-S648 WeakPolarHBondContact OD1-CB 3.41Å; D646-S648 PolarHBondContact OD1-N 3.12Å; D646-S648 PolarHBondContact OD1-OG 3.4Å; D646-S648 VanDerWaalsContact OD2-CB 3.22Å; D646-S648 WeakPolarHBondContact OD2-CB 3.4Å; D646-S648 PolarHBondContact OD2-OG 3Å
649	L	58	Low	53.6	Low	124 Å²	124	88.2 Å²	88.2	65%	0.649	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-65.2	138.4	163	-66	171.4	0	0	0	109.1	V641 L643	V641-L649 HydrophobicContact CB-CD2 4.42Å; V641-L649 HydrophobicContact CG1-CD2 3.93Å; V641-L649 HydrophobicContact CG2-CD2 4.47Å; L643-L649 HydrophobicContact CD2-CD2 3.84Å
650	P	58.5	Low	52.6	Low	46 Å²	46	92.2 Å²	92.2	30%	0.299	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-63.1	145.2	167.5	28.5	-33.2	0	0	0	110	V641	V641-P650 VanDerWaalsContact CG1-CD 3.44Å; V641-P650 HydrophobicContact CG1-CG 3.88Å
651	P	47.3	Very low	51.4	Low	109 Å²	109	94.7 Å²	94.7	71%	0.708	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-60.9	159.3	174.9	26.5	-34	0	0	0	111.5
652	Y	43.6	Very low	50.6	Low	235 Å²	235	100.7 Å²	100.7	92%	0.922	55%	0.545	S	S	*	.	S	Bend	trans	-52.8	153.6	-165.8	-86.7	-106.2	0	0	0	115.5
653	D	42.6	Very low	49.4	Very low	150 Å²	150	109 Å²	109	80%	0.802	57%	0.573	S	S	*	*	S	Bend	trans	65.7	38.3	168.8	-149.4	22.7	0	0	0	117.3
654	N	35.9	Very low	48.1	Very low	131 Å²	131	109.2 Å²	109.2	70%	0.701	58%	0.581	S	S	*	*			trans	-135.9	57.5	163.2	-85.5	-86.6	0	0	0	111.6	V656	N654-V656 VanDerWaalsContact C-N 3.29Å; N654-V656 PolarHBondContact O-N 2.93Å
655	T	39.3	Very low	47.2	Very low	125 Å²	125	109.7 Å²	109.7	77%	0.767	59%	0.588	S	S	*	*			trans	-71.1	82.3	173.6	49.3	0	0	0	0	111.1	E657	T655-E657 PolarHBondContact O-N 2.78Å
656	V	46.5	Very low	46.1	Very low	99 Å²	99	112.5 Å²	112.5	60%	0.6	60%	0.597	S	S	*	*			trans	-66.6	94.8	173.3	-178.6	0	0	0	0	109.2	N654 L658 V661	N654-V656 VanDerWaalsContact C-N 3.29Å; N654-V656 PolarHBondContact O-N 2.93Å; V656-L658 PolarHBondContact O-N 2.77Å; V656-L658 VanDerWaalsContact O-N 3.17Å; V656-V661 HydrophobicContact CG1-CG2 4.3Å
657	E	42.7	Very low	45.1	Very low	125 Å²	125	110.1 Å²	110.1	58%	0.584	58%	0.584	S	S	*	*			trans	-55.5	122.2	173.3	-69.4	-164.2	150.2	0	0	110.2	T655 M659	T655-E657 PolarHBondContact O-N 2.78Å; E657-M659 HydrophobicContact CB-CG 4.29Å; E657-M659 PolarHBondContact O-N 3.12Å
658	L	52.5	Low	43.8	Very low	15 Å²	15	118.7 Å²	118.7	8%	0.079	60%	0.604	C	S	.	*	T	Hydrogen-bonded Turn	trans	-64.3	-1.1	-177	-95.1	162.2	0	0	0	114.3	L628 K629 V642 V656 N660	L628-L658 HydrophobicContact CD2-CD1 3.64Å; K629-L658 WeakPolarHBondContact CE-O 3.4Å; K629-L658 PolarHBondContact NZ-O 3.26Å; V642-L658 HydrophobicContact CG2-CD1 4.18Å; V642-L658 HydrophobicContact CG2-CG 4.37Å; V656-L658 PolarHBondContact O-N 2.77Å; V656-L658 VanDerWaalsContact O-N 3.17Å; L658-N660 PolarHBondContact O-N 2.83Å
659	M	39.7	Very low	42.6	Very low	134 Å²	134	124.1 Å²	124.1	66%	0.66	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.8	-50.5	178.3	-69.8	-65.2	-159.4	0	0	113.3	E657	E657-M659 HydrophobicContact CB-CG 4.29Å; E657-M659 PolarHBondContact O-N 3.12Å
660	N	40.4	Very low	41.2	Very low	150 Å²	150	121.6 Å²	121.6	80%	0.802	63%	0.626	S	S	*	*	S	Bend	trans	-102.3	-16.2	-162.3	-69.7	-36.7	0	0	0	115.9	L658	L658-N660 PolarHBondContact O-N 2.83Å
661	V	41.7	Very low	39.9	Very low	67 Å²	67	127.1 Å²	127.1	41%	0.406	65%	0.653	S	S	.	*			trans	-87.3	118.7	-176.2	-147.8	0	0	0	0	111.7	K629 V656 R663	K629-V661 PolarHBondContact NZ-O 3.34Å; V656-V661 HydrophobicContact CG1-CG2 4.3Å; V661-R663 WeakPolarHBondContact CG1-O 3.49Å
662	K	42.3	Very low	39.3	Very low	187 Å²	187	126.7 Å²	126.7	81%	0.813	65%	0.653	S	S	*	*	S	Bend	trans	-81.2	-16.8	177.9	-76.3	177.2	179.2	166.3	0	114.2
663	R	39.5	Very low	38.7	Very low	215 Å²	215	126.1 Å²	126.1	81%	0.811	66%	0.655	S	S	*	*	S	Bend	trans	-128.5	136.3	176.7	-68.6	176.8	176.2	159.9	-1.8	108.1	V661	V661-R663 WeakPolarHBondContact CG1-O 3.49Å
664	G	38.4	Very low	38.3	Very low	31 Å²	31	123.7 Å²	123.7	32%	0.32	65%	0.65	S	S	.	*			trans	-69.3	165.5	176	0	0	0	0	0	112.6	Y613 N666	Y613-G664 VanDerWaalsContact OH-CA 3.24Å; Y613-G664 WeakPolarHBondContact OH-CA 3.2Å; G664-N666 PolarHBondContact O-N 3.41Å
665	P	38.2	Very low	37.9	Very low	76 Å²	76	123.9 Å²	123.9	49%	0.494	65%	0.646	S	S	.	*			trans	-52.8	132	173.3	-26.9	36.7	0	0	0	111	Y613 V642 I667	Y613-P665 WeakPolarHBondContact OH-CD 3.4Å; V642-P665 HydrophobicContact CG1-CG 4.13Å; P665-I667 PolarHBondContact O-N 3.11Å; P665-I667 VanDerWaalsContact O-N 3.13Å
666	N	36.3	Very low	37.4	Very low	134 Å²	134	122 Å²	122	72%	0.717	64%	0.638	S	S	*	*			trans	-86.7	87.7	-178.6	-156.4	15.8	0	0	0	108.2	G664 R668	G664-N666 PolarHBondContact O-N 3.41Å; N666-R668 VanDerWaalsContact C-N 3.33Å; N666-R668 PolarHBondContact O-N 3.36Å
667	I	41.1	Very low	36.7	Very low	65 Å²	65	125.1 Å²	125.1	33%	0.333	64%	0.639	S	S	.	*			trans	-60.4	96.1	176.9	-59.5	174.9	0	0	0	108.1	P612 P665	P612-I667 HydrophobicContact CB-CD1 4.19Å; P612-I667 HydrophobicContact CG-CD1 4.25Å; P665-I667 PolarHBondContact O-N 3.11Å; P665-I667 VanDerWaalsContact O-N 3.13Å
668	R	32.7	Very low	36.1	Very low	219 Å²	219	130 Å²	130	83%	0.826	65%	0.652	S	S	*	*			trans	-74.3	120.4	167.2	-67.8	-175.7	176.7	-163.4	-2.5	106.8	N666 G670	N666-R668 VanDerWaalsContact C-N 3.33Å; N666-R668 PolarHBondContact O-N 3.36Å; R668-G670 PolarHBondContact O-N 3.22Å
669	H	38	Very low	35.1	Very low	170 Å²	170	140.7 Å²	140.7	79%	0.787	69%	0.691	S	S	*	*			trans	-63	123	166.2	-72.4	-77.4	0	0	0	108.4	N671	H669-N671 PolarHBondContact O-N 2.68Å
670	G	27.8	Very low	34.5	Very low	70 Å²	70	140.7 Å²	140.7	72%	0.722	69%	0.694	S	S	*	*	S	Bend	trans	-81.8	93.4	-178.3	0	0	0	0	0	111.1	R668	R668-G670 PolarHBondContact O-N 3.22Å
671	N	30.7	Very low	34	Very low	162 Å²	162	139.4 Å²	139.4	87%	0.866	70%	0.696	S	S	*	*			trans	-175.7	84.1	149.6	-96.4	-14.4	0	0	0	110.5	H669	H669-N671 PolarHBondContact O-N 2.68Å
672	S	35.1	Very low	33.4	Very low	100 Å²	100	139.7 Å²	139.7	70%	0.699	70%	0.702	S	S	*	*			trans	-161.1	128.6	158.2	-95.1	0	0	0	0	108.7	S674	S672-S674 PolarHBondContact O-N 3.48Å
673	K	30.8	Very low	32.8	Very low	223 Å²	223	137 Å²	137	97%	0.97	69%	0.692	S	S	*	*			trans	-85.1	101.7	177	-69	177.3	-179.1	173.8	0	109.6
674	S	34.7	Very low	32.4	Very low	100 Å²	100	129.2 Å²	129.2	70%	0.699	67%	0.67	S	S	*	*			trans	-132.4	112.7	167.3	53.4	0	0	0	0	110.3	S672 C676	S672-S674 PolarHBondContact O-N 3.48Å; S674-C676 VanDerWaalsContact C-N 3.25Å; S674-C676 PolarHBondContact O-N 2.82Å
675	H	28.8	Very low	32.1	Very low	134 Å²	134	132.7 Å²	132.7	62%	0.62	69%	0.685	S	S	*	*			trans	-89.6	45	-159	-156.4	-62.9	0	0	0	113.5	R677	H675-R677 PolarHBondContact O-N 3.08Å
676	C	27.9	Very low	31.8	Very low	86 Å²	86	135.2 Å²	135.2	58%	0.581	69%	0.688	S	S	*	*			trans	-68.9	96.5	175.5	-105.9	0	0	0	0	111.1	S674 R678	S674-C676 VanDerWaalsContact C-N 3.25Å; S674-C676 PolarHBondContact O-N 2.82Å; C676-R678 PolarHBondContact O-N 3.4Å
677	R	31.6	Very low	31.5	Very low	165 Å²	165	135.2 Å²	135.2	62%	0.623	69%	0.694	S	S	*	*			trans	-52.9	120.3	178.7	-71.3	-180	166.5	130.4	-11.9	110.8	K499 H675 R679	K499-R677 WeakPolarHBondContact O-CD 3.25Å; K499-R677 PolarHBondContact O-NH1 2.97Å; H675-R677 PolarHBondContact O-N 3.08Å; R677-R679 PolarHBondContact O-N 2.88Å
678	R	31	Very low	30.9	Very low	228 Å²	228	144.1 Å²	144.1	86%	0.86	72%	0.723	S	S	*	*			trans	-58.6	126.4	155.9	-73.3	-178.6	176.1	172.7	-1.4	107.4	C676 N680	C676-R678 PolarHBondContact O-N 3.4Å; R678-N680 PolarHBondContact O-N 3.25Å
679	R	30.3	Very low	30.7	Very low	238 Å²	238	142.2 Å²	142.2	90%	0.898	73%	0.726	S	S	*	*			trans	-69.6	99.2	159.8	-77.2	-173.5	-178.6	170.2	2.4	107.2	R677	R677-R679 PolarHBondContact O-N 2.88Å
680	N	27.9	Very low	30.5	Very low	135 Å²	135	144.4 Å²	144.4	72%	0.722	73%	0.733	S	S	*	*			trans	-65.7	131.8	153.3	-73.6	5.4	0	0	0	107.1	R678	R678-N680 PolarHBondContact O-N 3.25Å
681	S	30	Very low	30.5	Very low	122 Å²	122	144.2 Å²	144.2	85%	0.853	73%	0.731	S	S	*	*			trans	-121.8	62.6	160.9	61.7	0	0	0	0	108
682	S	28.7	Very low	30.5	Very low	74 Å²	74	142 Å²	142	52%	0.517	73%	0.728	S	S	.	*			trans	-88.1	177.6	156.3	63.1	0	0	0	0	109
683	E	30.6	Very low	30.3	Very low	131 Å²	131	141.5 Å²	141.5	61%	0.612	73%	0.725	S	S	*	*			trans	69.1	140.6	179.6	-86.1	51.1	-102.4	0	0	114.2	D229	D229-E683 VanDerWaalsContact OD1-CB 3.3Å; D229-E683 WeakPolarHBondContact OD1-CB 3.41Å
684	S	31.1	Very low	30.3	Very low	51 Å²	51	136 Å²	136	36%	0.357	72%	0.721	S	S	.	*			trans	169.5	3.1	-157.1	92.1	0	0	0	0	118.2	D229 C230 C231	D229-S684 PolarHBondContact OD2-N 2.94Å; C230-S684 VanDerWaalsContact C-CB 3.48Å; C231-S684 PolarHBondContact N-OG 3.2Å
685	T	30.5	Very low	30.2	Very low	103 Å²	103	138.3 Å²	138.3	63%	0.632	73%	0.725	S	S	*	*			trans	-76.2	117.6	174.7	67.5	0	0	0	0	116.9	D229	D229-T685 WeakPolarHBondContact CB-O 3.38Å; D229-T685 VanDerWaalsContact CG-N 3.33Å; D229-T685 WeakPolarHBondContact OD2-CA 3.5Å; D229-T685 WeakPolarHBondContact OD2-CB 3.39Å; D229-T685 PolarHBondContact OD2-N 2.97Å; D229-T685 PolarHBondContact OD2-OG1 3.2Å
686	K	32.4	Very low	30.3	Very low	129 Å²	129	140.9 Å²	140.9	56%	0.561	73%	0.734	S	S	*	*			trans	-162.8	88.2	139.2	-112.2	151.4	-171	166.7	0	115.3
687	T	29.6	Very low	30.3	Very low	135 Å²	135	146.1 Å²	146.1	83%	0.828	74%	0.743	S	S	*	*			trans	33.1	98	138	57.4	0	0	0	0	119.1
688	R	28.4	Very low	30.4	Very low	252 Å²	252	145.2 Å²	145.2	95%	0.951	75%	0.749	S	S	*	*			trans	-147.6	139.4	138.4	-164.7	162.3	177.5	162.3	-2.5	112.1
689	M	28.6	Very low	30.3	Very low	179 Å²	179	138.9 Å²	138.9	88%	0.882	74%	0.74	S	S	*	*			trans	-86.3	134.5	-172.6	-52.4	168.3	87.7	0	0	112.5
690	K	33.7	Very low	30.4	Very low	215 Å²	215	134.3 Å²	134.3	94%	0.935	73%	0.728	S	S	*	*			trans	176	136.1	133.3	-97	166.6	-176	-173.6	0	108.7
691	G	27.7	Very low	30.7	Very low	66 Å²	66	135.7 Å²	135.7	68%	0.68	73%	0.728	S	S	*	*			cis	139.2	105.4	-3	0	0	0	0	0	112
692	S	31.3	Very low	30.8	Very low	116 Å²	116	133.9 Å²	133.9	81%	0.811	72%	0.72	S	S	*	*			trans	74.8	101.9	160.5	-53	0	0	0	0	120.2
693	S	30.9	Very low	31	Very low	89 Å²	89	136.1 Å²	136.1	62%	0.622	73%	0.731	S	S	*	*				58.5	114.8	114	-44.8	0	0	0	0	121.6	L695	S693-L695 WeakPolarHBondContact O-CG 3.38Å
694	A	30.8	Very low	31	Very low	108 Å²	108	137.3 Å²	137.3	89%	0.893	74%	0.741	S	S	*	*				-85.1	122.1	124.9	0	0	0	0	0	106.7
695	L	32.2	Very low	30.9	Very low	149 Å²	149	140.7 Å²	140.7	78%	0.78	76%	0.759	S	S	*	*			cis	69.4	103.4	22.5	-60.9	179.3	0	0	0	116.5	S693	S693-L695 WeakPolarHBondContact O-CG 3.38Å
696	K	31.5	Very low	30.8	Very low	187 Å²	187	140.2 Å²	140.2	81%	0.813	76%	0.76	S	S	*	*				-165	143.4	122.4	-90.1	-173.8	179.8	-179.8	0	105.1
697	Y	27.5	Very low	30.6	Very low	197 Å²	197	140.1 Å²	140.1	77%	0.773	77%	0.77	S	S	*	*	S	Bend	cis	-145.9	161.3	14.8	-127.6	-149.6	0	0	0	105.8
698	I	33.6	Very low	30.5	Very low	145 Å²	145	139.5 Å²	139.5	74%	0.744	77%	0.767	S	S	*	*			cis	-139.1	164.9	25.2	-62.1	178.6	0	0	0	109.6
699	S	30.1	Very low	30.5	Very low	96 Å²	96	132.2 Å²	132.2	67%	0.671	76%	0.755	S	S	*	*			trans	-66.2	168.3	173	52.2	0	0	0	0	114
700	E	31.6	Very low	30.5	Very low	141 Å²	141	132.7 Å²	132.7	66%	0.659	75%	0.752	S	S	*	*				-162.4	164.4	50.7	-76.7	-162.8	113.2	0	0	116.3
701	K	34.9	Very low	30	Very low	164 Å²	164	127.9 Å²	127.9	71%	0.713	74%	0.744	S	S	*	*			trans	66.9	100	144.4	-75.1	158.3	-172.6	155.3	0	121.7
702	A	32.3	Very low	30	Very low	84 Å²	84	129.7 Å²	129.7	69%	0.694	75%	0.746	S	S	*	*				100.8	148.4	105.2	0	0	0	0	0	122.1
703	T	32.7	Very low	29.8	Very low	122 Å²	122	130.2 Å²	130.2	75%	0.748	74%	0.744	S	S	*	*			trans	61.2	96.1	154.2	42.4	0	0	0	0	121.3
704	L	29.8	Very low	29.7	Very low	156 Å²	156	131.1 Å²	131.1	82%	0.817	75%	0.751	S	S	*	*				56.4	131.3	113.7	-70.3	171.1	0	0	0	122
705	V	28.2	Very low	29.7	Very low	121 Å²	121	133.5 Å²	133.5	73%	0.733	74%	0.743	S	S	*	*			trans	79.6	95.5	136.7	175.2	0	0	0	0	118.9
706	S	28.7	Very low	29.6	Very low	93 Å²	93	132.2 Å²	132.2	65%	0.65	74%	0.737	S	S	*	*				69.9	123.3	120.9	-53.5	0	0	0	0	123.1
707	T	28.5	Very low	29.8	Very low	127 Å²	127	128.9 Å²	128.9	78%	0.779	73%	0.733	S	S	*	*			trans	76.7	160.9	132.6	53.8	0	0	0	0	121.3
708	T	27.1	Very low	30.1	Very low	122 Å²	122	125.3 Å²	125.3	75%	0.748	73%	0.731	S	S	*	*			trans	64.3	89.7	163.8	45.7	0	0	0	0	119.2
709	S	28.3	Very low	30.1	Very low	100 Å²	100	124.1 Å²	124.1	70%	0.699	73%	0.733	S	S	*	*				62.2	128.8	116.9	67.5	0	0	0	0	122.4
710	K	29.5	Very low	30.1	Very low	189 Å²	189	125.4 Å²	125.4	82%	0.822	73%	0.733	S	S	*	*			trans	74.4	113	136.3	-75.6	-177	176.6	-176.7	0	120.2
711	C	23.5	Very low	30.3	Very low	113 Å²	113	127.9 Å²	127.9	76%	0.764	74%	0.741	S	S	*	*				83.6	157.8	129.4	-63.7	0	0	0	0	120.2
712	S	27.5	Very low	29.9	Very low	104 Å²	104	127.3 Å²	127.3	73%	0.727	74%	0.741	S	S	*	*			trans	88.4	112.5	157.5	-51.6	0	0	0	0	118.1
713	T	27.7	Very low	29.8	Very low	127 Å²	127	133.4 Å²	133.4	78%	0.779	75%	0.748	S	S	*	*			trans	40.5	119.5	131.7	60.7	0	0	0	0	117.7
714	S	28.7	Very low	29.9	Very low	108 Å²	108	136.4 Å²	136.4	76%	0.755	75%	0.753	S	S	*	*				-165.5	133.6	58.1	47.1	0	0	0	0	110
715	E	30.4	Very low	29.7	Very low	159 Å²	159	135.3 Å²	135.3	74%	0.743	75%	0.748	S	S	*	*				83	133.9	66.7	-142.1	-171.1	-97.4	0	0	113.4
716	N	29.6	Very low	29.8	Very low	122 Å²	122	138.1 Å²	138.1	65%	0.652	75%	0.753	S	S	*	*			trans	72.8	136.6	172	-54	-49.7	0	0	0	117.1
717	T	34.9	Very low	29.6	Very low	117 Å²	117	139 Å²	139	72%	0.718	76%	0.755	S	S	*	*			cis	-147.2	131.5	9.4	-11.9	0	0	0	0	112.9
718	T	34	Very low	29.4	Very low	121 Å²	121	140.2 Å²	140.2	74%	0.742	75%	0.753	S	S	*	*			trans	8.3	162.4	144.3	63.3	0	0	0	0	122.6
719	P	34.9	Very low	29.4	Very low	121 Å²	121	141.7 Å²	141.7	79%	0.786	75%	0.752	S	S	*	*			cis	-127.5	149.9	7.4	20.4	3.4	0	0	0	116.7
720	N	28.9	Very low	29.3	Very low	122 Å²	122	143.5 Å²	143.5	65%	0.652	75%	0.754	S	S	*	*			trans	-96.2	162.7	157	-172.4	21.6	0	0	0	109.3	E722	N720-E722 WeakPolarHBondContact ND2-CG 3.37Å
721	K	35.5	Very low	29.5	Very low	193 Å²	193	139 Å²	139	84%	0.839	75%	0.752	S	S	*	*			trans	-179	141.6	150.5	-108.7	169.2	-176.2	-174.2	0	111.1
722	E	27.9	Very low	29.7	Very low	152 Å²	152	141 Å²	141	71%	0.71	76%	0.755	S	S	*	*			cis	170.2	164.9	-41.9	-100.4	178.1	150	0	0	106.7	N720	N720-E722 WeakPolarHBondContact ND2-CG 3.37Å
723	Y	29.7	Very low	29.8	Very low	213 Å²	213	140.9 Å²	140.9	84%	0.835	75%	0.754	S	S	*	*			trans	-93.7	125.8	-173.7	-139	-103	0	0	0	111.1
724	Q	35.3	Very low	29.9	Very low	184 Å²	184	142.6 Å²	142.6	86%	0.86	76%	0.755	S	S	*	*			trans	-137.9	121.7	161.2	-66.1	-173.1	-31.3	0	0	106.3
725	N	26	Very low	29.9	Very low	134 Å²	134	143.1 Å²	143.1	72%	0.717	75%	0.749	S	S	*	*				61.1	127.1	51.1	-87.9	-14.9	0	0	0	114.8
726	Q	28.9	Very low	29.9	Very low	180 Å²	180	142.2 Å²	142.2	84%	0.841	75%	0.748	S	S	*	*			trans	69.1	144.7	174.1	-56.9	169.7	11.1	0	0	113.5
727	T	24.3	Very low	30.1	Very low	110 Å²	110	141.2 Å²	141.2	68%	0.675	75%	0.748	S	S	*	*			cis	-157.1	177.5	-6.5	5.9	0	0	0	0	108.2
728	M	24.5	Very low	29.7	Very low	153 Å²	153	143 Å²	143	75%	0.754	75%	0.75	S	S	*	*			trans	20.9	139.7	147.9	-50.7	-173.7	-47.7	0	0	118.8
729	E	28	Very low	29.2	Very low	154 Å²	154	143.6 Å²	143.6	72%	0.72	75%	0.749	S	S	*	*			cis	-170.7	175.6	46.2	-150.1	151.1	-113.5	0	0	113.8
730	N	26	Very low	28.8	Very low	138 Å²	138	144.1 Å²	144.1	74%	0.738	75%	0.75	S	S	*	*			trans	-45.1	133.8	179	-50.4	-60.5	0	0	0	117.5
731	A	32.7	Very low	28.6	Very low	94 Å²	94	144.7 Å²	144.7	78%	0.777	75%	0.753	S	S	*	*				-170.1	129.4	116.9	0	0	0	0	0	109.1
732	N	27.5	Very low	28.1	Very low	155 Å²	155	139.6 Å²	139.6	83%	0.829	74%	0.74	S	S	*	*			cis	60.8	75.9	46.2	-68.5	-15.9	0	0	0	115.3
733	S	30.2	Very low	27.9	Very low	101 Å²	101	138.8 Å²	138.8	71%	0.706	74%	0.741	S	S	*	*			trans	-156.7	124.9	131.1	72.8	0	0	0	0	108.1
734	M	30	Very low	27.7	Very low	164 Å²	164	132.7 Å²	132.7	81%	0.808	73%	0.729	S	S	*	*				61	136.2	89.8	-61.2	174.9	-169.1	0	0	113.3
735	N	29.1	Very low	27.4	Very low	118 Å²	118	128.7 Å²	128.7	63%	0.631	72%	0.722	S	S	*	*			cis	-153.7	150.5	0	-100.1	-12.4	0	0	0	107.2
736	I	29.3	Very low	27.4	Very low	141 Å²	141	130.8 Å²	130.8	72%	0.723	73%	0.725	S	S	*	*				64.8	127.6	57.3	-65.8	177.7	0	0	0	111.8
737	P	33.5	Very low	27.2	Very low	100 Å²	100	127.6 Å²	127.6	65%	0.649	71%	0.714	S	S	*	*			cis	-142.9	-118.1	-28.3	40.1	-17.4	0	0	0	109.4
738	M	27	Very low	27.5	Very low	155 Å²	155	132.6 Å²	132.6	76%	0.764	72%	0.72	S	S	*	*			trans	70.7	117	163.7	-64.5	-158.2	-171.7	0	0	117
739	D	24.3	Very low	27.7	Very low	134 Å²	134	129.1 Å²	129.1	72%	0.717	71%	0.711	S	S	*	*				81.9	148.4	52.1	-73.1	-58.4	0	0	0	112.4
740	V	26.1	Very low	28	Very low	132 Å²	132	129.6 Å²	129.6	80%	0.8	71%	0.713	S	S	*	*			trans	67.9	120.7	151.2	155.8	0	0	0	0	115.5
741	N	24.7	Very low	28.2	Very low	133 Å²	133	129.5 Å²	129.5	71%	0.711	71%	0.712	S	S	*	*			cis	-168.5	-145.6	1.1	-158.1	-1.3	0	0	0	109.4
742	C	24.1	Very low	27.9	Very low	86 Å²	86	131.8 Å²	131.8	58%	0.581	71%	0.708	S	S	*	*				16.3	134.4	127.4	-65.4	0	0	0	0	117.5
743	D	24.2	Very low	28	Very low	135 Å²	135	128.5 Å²	128.5	72%	0.722	70%	0.697	S	S	*	*			cis	-169.5	-176.4	6.7	-134	-55.1	0	0	0	110.7
744	S	26.7	Very low	28	Very low	85 Å²	85	127 Å²	127	59%	0.594	70%	0.698	S	S	*	*			trans	52.4	129.7	142.2	71	0	0	0	0	119.8
745	S	27.7	Very low	27.9	Very low	100 Å²	100	127.7 Å²	127.7	70%	0.699	70%	0.697	S	S	*	*			trans	78.7	142.9	138.3	82.3	0	0	0	0	118
746	F	26.5	Very low	27.9	Very low	178 Å²	178	131.7 Å²	131.7	78%	0.781	71%	0.712	S	S	*	*			cis	-145.4	158.9	-6.5	-132.1	-153.7	0	0	0	109.6
747	N	25.9	Very low	28.1	Very low	114 Å²	114	128.9 Å²	128.9	61%	0.61	70%	0.701	S	S	*	*				20.3	139.4	126.7	-73.2	-60	0	0	0	117.4
748	R	28.7	Very low	27.8	Very low	215 Å²	215	132.9 Å²	132.9	81%	0.811	71%	0.709	S	S	*	*			cis	-173.8	155.9	37.2	-148.6	176.6	-176.8	-177.3	-1.6	113.3
749	S	30.2	Very low	28.1	Very low	79 Å²	79	131.7 Å²	131.7	55%	0.552	71%	0.71	S	S	*	*			trans	59.9	147.9	147	40.1	0	0	0	0	119.5
750	Q	33.5	Very low	28.4	Very low	165 Å²	165	130.8 Å²	130.8	77%	0.771	71%	0.709	S	S	*	*			cis	-130.3	141.5	-6.8	-100.5	124.8	-20.1	0	0	107.2
751	L	29.4	Very low	28.7	Very low	135 Å²	135	129.4 Å²	129.4	71%	0.707	70%	0.701	S	S	*	*				61.9	136.7	63.2	-53.8	171.7	0	0	0	111.4
752	M	28.2	Very low	29.1	Very low	143 Å²	143	131.4 Å²	131.4	70%	0.704	71%	0.706	S	S	*	*			cis	-145.6	160	26.4	-64.2	-90.8	23.2	0	0	114
753	S	29.7	Very low	29.6	Very low	85 Å²	85	131 Å²	131	59%	0.594	71%	0.705	S	S	*	*			trans	33.3	136.6	139.5	65.2	0	0	0	0	121.3
754	G	29.4	Very low	30	Very low	71 Å²	71	131 Å²	131	73%	0.732	70%	0.704	S	S	*	*			cis	74.8	94.4	3.1	0	0	0	0	0	114.9
755	F	27.4	Very low	30.2	Very low	178 Å²	178	132.7 Å²	132.7	78%	0.781	71%	0.707	S	S	*	*			trans	-155.5	117	163.5	-104.4	-57.7	0	0	0	113.2	T757	F755-T757 HydrophobicContact CD1-CG2 3.81Å; F755-T757 HydrophobicContact CE1-CG2 3.7Å
756	Q	30.4	Very low	30.4	Very low	201 Å²	201	135 Å²	135	94%	0.939	71%	0.71	S	S	*	*			trans	-143.8	109.6	141.1	-131.3	165.2	-4.6	0	0	107.9
757	T	32.5	Very low	30.6	Very low	82 Å²	82	130.2 Å²	130.2	50%	0.503	70%	0.699	S	S	.	*			trans	-81.8	166	173.8	47.1	0	0	0	0	109.9	F755	F755-T757 HydrophobicContact CD1-CG2 3.81Å; F755-T757 HydrophobicContact CE1-CG2 3.7Å
758	F	28.2	Very low	30.8	Very low	184 Å²	184	134.1 Å²	134.1	81%	0.807	71%	0.71	S	S	*	*			cis	-124.9	-172.8	8.5	-74.9	-90.1	0	0	0	108.5
759	V	32	Very low	31	Very low	131 Å²	131	127.9 Å²	127.9	79%	0.794	70%	0.7	S	S	*	*			cis	-154.1	156.3	35.4	-178.9	0	0	0	0	111.8
760	T	30.9	Very low	31.1	Very low	114 Å²	114	131.2 Å²	131.2	70%	0.699	71%	0.712	S	S	*	*			trans	-54.6	164.3	170.1	50.3	0	0	0	0	115.1
761	T	32.1	Very low	31.2	Very low	103 Å²	103	127.7 Å²	127.7	63%	0.632	71%	0.705	S	S	*	*			cis	-175	150.9	-2	23.7	0	0	0	0	109.3
762	E	33.3	Very low	31.3	Very low	175 Å²	175	127.2 Å²	127.2	82%	0.818	71%	0.708	S	S	*	*			trans	58.8	155.6	145.2	-67.9	171.9	-148.5	0	0	120.7
763	S	34.2	Very low	31.5	Very low	78 Å²	78	127.6 Å²	127.6	55%	0.545	71%	0.712	S	S	.	*			cis	-170	167.6	-24.6	55.9	0	0	0	0	109.6
764	N	33.1	Very low	31.6	Very low	134 Å²	134	127.8 Å²	127.8	72%	0.717	71%	0.713	S	S	*	*			trans	70.5	152.1	162.5	-57.5	-43.8	0	0	0	117.6
765	N	31.1	Very low	31.9	Very low	122 Å²	122	130.7 Å²	130.7	65%	0.652	72%	0.717	S	S	*	*			cis	-168.6	155.9	-13.8	-112.9	-25.5	0	0	0	112.5
766	I	31.5	Very low	32.4	Very low	147 Å²	147	127.9 Å²	127.9	75%	0.754	72%	0.717	S	S	*	*			trans	67	143.6	141.9	-67.9	168.9	0	0	0	119.2
767	S	31.3	Very low	32.3	Very low	78 Å²	78	124.1 Å²	124.1	55%	0.545	71%	0.707	S	S	.	*			cis	-177.3	161.5	-24.2	63.5	0	0	0	0	112.7
768	F	29.8	Very low	32	Very low	196 Å²	196	127.7 Å²	127.7	86%	0.86	72%	0.722	S	S	*	*			trans	63	155.6	150.7	-67.8	-48.3	0	0	0	121.2
769	S	33.4	Very low	32.1	Very low	84 Å²	84	129 Å²	129	59%	0.587	73%	0.728	S	S	*	*			cis	-167.5	168.5	-14.7	52.4	0	0	0	0	113.2
770	N	32.6	Very low	32.3	Very low	150 Å²	150	127.8 Å²	127.8	80%	0.802	72%	0.723	S	S	*	*			trans	70.4	149.8	153.8	-65.2	-9.6	0	0	0	120
771	S	34.2	Very low	32.2	Very low	90 Å²	90	128 Å²	128	63%	0.629	72%	0.724	S	S	*	*			cis	-172.7	140.5	-14.6	48.6	0	0	0	0	112.8
772	T	31.8	Very low	32.1	Very low	125 Å²	125	130.2 Å²	130.2	77%	0.767	73%	0.731	S	S	*	*			trans	49.6	142.5	148.4	58.1	0	0	0	0	121
773	L	31.9	Very low	31.9	Very low	152 Å²	152	128.4 Å²	128.4	80%	0.796	73%	0.733	S	S	*	*				-174.5	156.9	53.8	-160.1	76.5	0	0	0	112.9
774	S	32.9	Very low	31.8	Very low	88 Å²	88	130.5 Å²	130.5	62%	0.615	75%	0.747	S	S	*	*			trans	57	99.8	153.8	-68	0	0	0	0	124.9
775	T	35.2	Very low	31.8	Very low	133 Å²	133	128 Å²	128	82%	0.816	75%	0.745	S	S	*	*				48.9	155.9	113.2	53.6	0	0	0	0	124.9
776	P	37.7	Very low	31.9	Very low	119 Å²	119	129.2 Å²	129.2	77%	0.773	75%	0.751	S	S	*	*			trans	-133.9	-149.3	-150.2	42	-21.2	0	0	0	117.1
777	V	27.9	Very low	31.9	Very low	122 Å²	122	127.8 Å²	127.8	74%	0.739	75%	0.75	S	S	*	*			trans	102.4	137.4	160.4	-149.1	0	0	0	0	119.2
778	L	27.9	Very low	31.8	Very low	156 Å²	156	131.5 Å²	131.5	82%	0.817	76%	0.762	S	S	*	*			trans	83.2	122.5	164.8	-58.8	-174.5	0	0	0	121.6
779	F	29.7	Very low	32.2	Very low	212 Å²	212	127.6 Å²	127.6	93%	0.93	76%	0.756	S	S	*	*			trans	-164.6	137.8	149.6	-102.6	-68.7	0	0	0	112
780	P	35.4	Very low	32.2	Very low	106 Å²	106	130.2 Å²	130.2	69%	0.688	77%	0.768	S	S	*	*			trans	-130.6	-173.6	170.6	42	-28.6	0	0	0	115.6
781	T	29.6	Very low	32.1	Very low	119 Å²	119	131.8 Å²	131.8	73%	0.73	77%	0.768	S	S	*	*			trans	75.8	107.1	155.4	45.8	0	0	0	0	124.5
782	L	29.4	Very low	31.8	Very low	149 Å²	149	137 Å²	137	78%	0.78	78%	0.779	S	S	*	*				63.6	144	114.5	-68.8	172.9	0	0	0	126.6
783	T	30.2	Very low	31.8	Very low	137 Å²	137	138 Å²	138	84%	0.84	78%	0.777	S	S	*	*			trans	68.8	155	153	47.7	0	0	0	0	119.5
784	S	31.4	Very low	31.9	Very low	122 Å²	122	137.9 Å²	137.9	85%	0.853	77%	0.773	S	S	*	*			cis	-138.7	-125.1	6.3	58.6	0	0	0	0	118.5
785	A	32.8	Very low	31.8	Very low	80 Å²	80	139.4 Å²	139.4	66%	0.661	78%	0.779	S	S	*	*			trans	-159.9	-174.6	-134.9	0	0	0	0	0	120.8
786	N	32.9	Very low	31.7	Very low	149 Å²	149	139.4 Å²	139.4	80%	0.797	78%	0.778	S	S	*	*			trans	93.7	116.8	157.8	-63.3	-12.7	0	0	0	124.5
787	T	32.8	Very low	31.3	Very low	117 Å²	117	140.7 Å²	140.7	72%	0.718	78%	0.778	S	S	*	*			trans	42.3	123.7	133.6	57.2	0	0	0	0	124.7
788	I	29.5	Very low	31.5	Very low	156 Å²	156	140 Å²	140	80%	0.8	78%	0.779	S	S	*	*				71.7	137.7	71.6	-70.7	172.4	0	0	0	115.3
789	P	38.2	Very low	31.8	Very low	113 Å²	113	140 Å²	140	73%	0.734	78%	0.778	S	S	*	*			cis	-145.5	-148.4	-27	42.7	-19	0	0	0	116
790	V	32.5	Very low	32	Very low	139 Å²	139	136.1 Å²	136.1	84%	0.842	77%	0.772	S	S	*	*			trans	112.2	155	158.6	-168.8	0	0	0	0	119.6
791	K	29.9	Very low	32	Very low	184 Å²	184	136 Å²	136	80%	0.8	77%	0.773	S	S	*	*			trans	-99.3	160	-162.3	-42.4	166.7	178.9	176.1	0	116.2
792	F	28.5	Very low	32.2	Very low	198 Å²	198	136.8 Å²	136.8	87%	0.868	77%	0.773	S	S	*	*				-171.7	178.9	116.5	-124.7	-97.8	0	0	0	114.3
793	M	31.1	Very low	32.5	Very low	148 Å²	148	134.2 Å²	134.2	73%	0.729	77%	0.768	S	S	*	*			trans	-89.5	-175.8	-179.5	-60.7	164.7	64.8	0	0	111.5
794	E	33.4	Very low	32.8	Very low	149 Å²	149	135.1 Å²	135.1	70%	0.696	77%	0.766	S	S	*	*			cis	-173.7	169	27.7	-160.8	163.7	-129.4	0	0	113.8
795	T	30.9	Very low	33.4	Very low	120 Å²	120	134.8 Å²	134.8	74%	0.736	76%	0.761	S	S	*	*			trans	87	148.9	147.6	12.3	0	0	0	0	126.7
796	V	33.6	Very low	33.4	Very low	132 Å²	132	139 Å²	139	80%	0.8	77%	0.77	S	S	*	*			trans	85.7	147.8	159.2	-139.9	0	0	0	0	121.4
797	N	30.4	Very low	33.2	Very low	147 Å²	147	138.4 Å²	138.4	79%	0.786	77%	0.773	S	S	*	*			trans	-135.2	170.9	-160.5	-59.1	-35.5	0	0	0	116.5
798	S	32.1	Very low	33.1	Very low	107 Å²	107	138.2 Å²	138.2	75%	0.748	78%	0.776	S	S	*	*			trans	88.4	138.2	143.1	-55.8	0	0	0	0	123
799	I	33.6	Very low	33.2	Very low	155 Å²	155	134.8 Å²	134.8	80%	0.795	77%	0.766	S	S	*	*				156.4	117.6	124.8	-80.5	161.7	0	0	0	115.8
800	T	34.7	Very low	32.9	Very low	132 Å²	132	138.5 Å²	138.5	81%	0.81	77%	0.771	S	S	*	*			trans	59.1	173.4	160.3	50.8	0	0	0	0	121.4
801	S	34.2	Very low	32.8	Very low	102 Å²	102	136.2 Å²	136.2	71%	0.713	76%	0.761	S	S	*	*			cis	-178.4	177.7	-40.8	71.2	0	0	0	0	108.5
802	D	34	Very low	32.9	Very low	136 Å²	136	134.6 Å²	134.6	73%	0.727	76%	0.761	S	S	*	*			cis	-164.8	169.4	-5.9	-149.6	-87	0	0	0	112.3
803	S	36.3	Very low	33	Very low	96 Å²	96	130.7 Å²	130.7	67%	0.671	76%	0.758	S	S	*	*			trans	61.4	160.6	150.7	-81.2	0	0	0	0	123.3
804	I	36.7	Very low	33.5	Very low	155 Å²	155	129.4 Å²	129.4	80%	0.795	76%	0.761	S	S	*	*			cis	-162.5	157.3	-32.4	-123	172.6	0	0	0	111.6
805	P	42.6	Very low	33.3	Very low	115 Å²	115	130.4 Å²	130.4	75%	0.747	77%	0.769	S	S	*	*			trans	-130	-178.6	-174.6	43.6	-29.5	0	0	0	117.6
806	I	32.7	Very low	33.3	Very low	169 Å²	169	130.6 Å²	130.6	87%	0.867	77%	0.77	S	S	*	*			trans	-141.4	156	176.8	-64.4	-172.4	0	0	0	114.8
807	T	30.3	Very low	33.3	Very low	137 Å²	137	130.9 Å²	130.9	84%	0.84	77%	0.768	S	S	*	*			trans	-80.5	-173.8	-157.4	58.3	0	0	0	0	118.7
808	S	30.4	Very low	33.3	Very low	112 Å²	112	127.7 Å²	127.7	78%	0.783	76%	0.756	S	S	*	*			cis	-156.8	-129.9	32.6	63.5	0	0	0	0	118.8
809	S	31.5	Very low	33.3	Very low	84 Å²	84	128.6 Å²	128.6	59%	0.587	75%	0.753	S	S	*	*			trans	-157.6	-168.8	-146.5	59	0	0	0	0	119.3
810	F	31.2	Very low	33.3	Very low	192 Å²	192	127 Å²	127	84%	0.842	75%	0.751	S	S	*	*			trans	90.5	151.5	169.6	-51.9	-68.4	0	0	0	118.9
811	S	30.7	Very low	33.1	Very low	91 Å²	91	127.8 Å²	127.8	64%	0.636	75%	0.748	S	S	*	*			cis	172.5	158.1	-31.8	56.2	0	0	0	0	111.6
812	D	31.8	Very low	32.8	Very low	150 Å²	150	129.2 Å²	129.2	80%	0.802	75%	0.745	S	S	*	*			cis	-173.5	157.3	-25.7	-93.9	-56	0	0	0	114.6
813	S	31.2	Very low	32.5	Very low	116 Å²	116	129.2 Å²	129.2	81%	0.811	75%	0.745	S	S	*	*			trans	75.6	154.9	153.3	-59.4	0	0	0	0	127.6
814	P	40.4	Very low	32.2	Very low	120 Å²	120	129.4 Å²	129.4	78%	0.779	75%	0.746	S	S	*	*			trans	-138.5	-169.9	-164.9	45.1	-25.1	0	0	0	118.9
815	I	31.2	Very low	31.8	Very low	170 Å²	170	132.5 Å²	132.5	87%	0.872	75%	0.75	S	S	*	*			trans	-168.7	167.9	160.6	-102	151.7	0	0	0	113.5
816	T	30.9	Very low	31.2	Very low	125 Å²	125	131.7 Å²	131.7	77%	0.767	75%	0.747	S	S	*	*			trans	-124.5	-168	-164.5	55.8	0	0	0	0	115.4
817	N	32	Very low	31	Very low	138 Å²	138	130.5 Å²	130.5	74%	0.738	74%	0.742	S	S	*	*			cis	-169.4	174	17	-152.5	4.2	0	0	0	116.8
818	S	31.3	Very low	31.4	Very low	79 Å²	79	128.6 Å²	128.6	55%	0.552	73%	0.732	S	S	*	*			trans	83.5	115.1	142.6	-73.6	0	0	0	0	129.2
819	N	32.1	Very low	31.4	Very low	127 Å²	127	129.8 Å²	129.8	68%	0.679	73%	0.729	S	S	*	*				85.6	129	125.4	-58	10.1	0	0	0	126.6
820	T	34.3	Very low	31.3	Very low	122 Å²	122	129.3 Å²	129.3	75%	0.748	74%	0.737	S	S	*	*				136.1	103.2	123.7	-48.8	0	0	0	0	120.8
821	I	29.8	Very low	31.2	Very low	147 Å²	147	125.6 Å²	125.6	75%	0.754	73%	0.733	S	S	*	*			trans	77.4	112.5	140.1	-66.7	175.6	0	0	0	126
822	M	27.7	Very low	31.1	Very low	133 Å²	133	128.3 Å²	128.3	66%	0.655	74%	0.741	S	S	*	*			trans	61.5	132	131.7	-58.9	-71	-94.8	0	0	127.7
823	N	28.1	Very low	31.3	Very low	136 Å²	136	125.5 Å²	125.5	73%	0.727	73%	0.733	S	S	*	*			trans	64.9	143.3	142.5	-67.9	-2.2	0	0	0	120.4
824	S	30.3	Very low	31.4	Very low	99 Å²	99	127.5 Å²	127.5	69%	0.692	73%	0.734	S	S	*	*			cis	-161.7	142.9	21.3	50	0	0	0	0	116.1
825	Y	27.8	Very low	31	Very low	220 Å²	220	125.1 Å²	125.1	86%	0.863	73%	0.731	S	S	*	*			trans	58.1	146.9	142.5	-81.6	-89.1	0	0	0	125.9
826	S	29.5	Very low	31.1	Very low	98 Å²	98	124.2 Å²	124.2	69%	0.685	73%	0.727	S	S	*	*			trans	83.7	102.3	143.5	43.9	0	0	0	0	124.3
827	N	29.3	Very low	31.2	Very low	144 Å²	144	126.3 Å²	126.3	77%	0.77	73%	0.728	S	S	*	*				76	166.7	115.5	-74.5	23.8	0	0	0	120.8
828	P	38.8	Very low	31.1	Very low	97 Å²	97	127.3 Å²	127.3	63%	0.63	73%	0.728	S	S	*	*				-142.2	-153.5	-85.2	35.6	-9.8	0	0	0	114.5
829	I	29.2	Very low	31.2	Very low	138 Å²	138	132.7 Å²	132.7	71%	0.708	75%	0.745	S	S	*	*			trans	81.2	137.5	159.1	-62	153	0	0	0	118.3
830	G	28.9	Very low	30.9	Very low	74 Å²	74	132 Å²	132	76%	0.763	75%	0.749	S	S	*	*			trans	156.6	92.2	162.9	0	0	0	0	0	115.5
831	C	28.8	Very low	30.8	Very low	114 Å²	114	132.1 Å²	132.1	77%	0.77	75%	0.749	S	S	*	*			trans	-104.1	149.4	-178.7	-55.5	0	0	0	0	113.4
832	N	30.3	Very low	30.6	Very low	148 Å²	148	131.5 Å²	131.5	79%	0.791	75%	0.752	S	S	*	*				160	113.7	119.6	-80.7	-15.7	0	0	0	116
833	S	34.4	Very low	30.7	Very low	90 Å²	90	131.5 Å²	131.5	63%	0.629	76%	0.759	S	S	*	*				25.5	139.1	129.5	59.8	0	0	0	0	121.6
834	N	33.8	Very low	30.8	Very low	159 Å²	159	131.1 Å²	131.1	85%	0.85	76%	0.762	S	S	*	*				-177.2	158.2	68.9	-105.5	-40.3	0	0	0	114.9
835	G	32	Very low	30.8	Very low	69 Å²	69	132 Å²	132	71%	0.711	77%	0.768	S	S	*	*			trans	88.9	149.4	161.1	0	0	0	0	0	116.8
836	I	34.2	Very low	31	Very low	152 Å²	152	126.5 Å²	126.5	78%	0.779	75%	0.753	S	S	*	*			cis	-145	158.2	0.5	-67.3	-176.2	0	0	0	109.7
837	E	31.5	Very low	31.3	Very low	168 Å²	168	125.6 Å²	125.6	79%	0.785	75%	0.746	S	S	*	*			trans	-15.7	159.9	161.4	-61	143.7	-163.6	0	0	119.4
838	E	31.2	Very low	31.7	Very low	160 Å²	160	122.5 Å²	122.5	75%	0.748	73%	0.725	S	S	*	*			cis	-160.6	145.1	-1.6	-127.7	-177.1	-161.9	0	0	109.8
839	Q	32.9	Very low	31.6	Very low	192 Å²	192	124.1 Å²	124.1	90%	0.897	73%	0.728	S	S	*	*			trans	-163	117.9	151	-126.7	168.9	71.6	0	0	112.9	V841	Q839-V841 PolarHBondContact O-N 3.15Å
840	C	25.2	Very low	31.9	Very low	113 Å²	113	122.9 Å²	122.9	76%	0.764	72%	0.723	S	S	*	*			trans	-78.3	116.5	-174.4	-65.3	0	0	0	0	113.2
841	V	32.4	Very low	32.1	Very low	124 Å²	124	125.9 Å²	125.9	75%	0.752	71%	0.712	S	S	*	*			trans	-119.6	111.1	163.3	-179.1	0	0	0	0	109.2	Q839 V843	Q839-V841 PolarHBondContact O-N 3.15Å; V841-V843 PolarHBondContact O-N 3.46Å; V841-V843 VanDerWaalsContact O-N 3.1Å
842	T	25.9	Very low	32.6	Very low	134 Å²	134	123.5 Å²	123.5	82%	0.822	70%	0.697	S	S	*	*			trans	-76.3	95.4	-177.4	52.4	0	0	0	0	111.7
843	V	31.2	Very low	33.2	Very low	133 Å²	133	118.6 Å²	118.6	81%	0.806	67%	0.672	S	S	*	*			trans	-84.7	112.3	168.4	-176.6	0	0	0	0	109.1	V841 S845	V841-V843 PolarHBondContact O-N 3.46Å; V841-V843 VanDerWaalsContact O-N 3.1Å; V843-S845 PolarHBondContact O-N 3.23Å
844	T	29.9	Very low	33.4	Very low	128 Å²	128	116.3 Å²	116.3	79%	0.785	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-71.2	124.5	-179.7	52.1	0	0	0	0	111.3
845	S	30.4	Very low	33.8	Very low	118 Å²	118	111.5 Å²	111.5	83%	0.825	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-68.9	132.4	-176	45.4	0	0	0	0	113.6	V843	V843-S845 PolarHBondContact O-N 3.23Å
846	D	32.2	Very low	34.3	Very low	103 Å²	103	114.7 Å²	114.7	55%	0.551	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-97.9	118.8	-179.2	-156.7	37.4	0	0	0	110.8	Y611 F848	Y611-D846 PolarHBondContact OH-OD1 3.26Å; D846-F848 PolarHBondContact O-N 2.91Å
847	P	35.9	Very low	35.1	Very low	80 Å²	80	111 Å²	111	52%	0.519	62%	0.618	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.8	12.6	-163.1	-23.6	35.5	0	0	0	118.4	Y611	Y611-P847 HydrophobicContact CE1-CG 4.45Å; Y611-P847 WeakPolarHBondContact OH-CD 3.36Å
848	F	36.7	Very low	35.9	Very low	78 Å²	78	106.1 Å²	106.1	34%	0.342	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.1	-18.5	-162.6	-87.5	-70	0	0	0	117.2	Y611 K623 D846 N850	Y611-F848 HydrophobicContact CD1-CE2 4.4Å; Y611-F848 HydrophobicContact CE1-CD2 4.15Å; Y611-F848 AromaticContact CE1-CE2 3.34Å; Y611-F848 HydrophobicContact CE1-CE2 3.34Å; Y611-F848 AromaticContact CE1-CZ 3.96Å; Y611-F848 HydrophobicContact CE1-CZ 3.96Å; Y611-F848 AromaticContact CZ-CE2 3.7Å; Y611-F848 WeakPolarHBondContact OH-CD2 3.49Å; Y611-F848 WeakPolarHBondContact OH-CE2 3.41Å; K623-F848 HydrophobicContact CB-CZ 3.95Å; K623-F848 HydrophobicContact CD-CE2 3.48Å; K623-F848 VanDerWaalsContact CD-CE2 3.48Å; K623-F848 HydrophobicContact CD-CZ 3.74Å; K623-F848 HydrophobicContact CG-CE2 3.95Å; K623-F848 HydrophobicContact CG-CZ 3.81Å; D846-F848 PolarHBondContact O-N 2.91Å; F848-N850 VanDerWaalsContact C-N 3.31Å; F848-N850 PolarHBondContact O-N 2.77Å
849	L	37.7	Very low	36.6	Very low	132 Å²	132	102.4 Å²	102.4	69%	0.691	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-22.4	-179.7	-80.7	161.6	0	0	0	113.6	Y851 S852 V853	L849-Y851 PolarHBondContact O-N 3.28Å; L849-S852 PolarHBondContact O-N 3.42Å; L849-S852 PolarHBondContact O-OG 3.12Å; L849-S852 VanDerWaalsContact O-OG 3.06Å; L849-V853 PolarHBondContact O-N 2.99Å
850	N	35.4	Very low	37.8	Very low	112 Å²	112	96.7 Å²	96.7	60%	0.599	56%	0.564	S	S	*	*	H	α-helix	trans	-67	-6.9	-172.6	-74.3	-18.7	0	0	0	115.7	F848 S854	F848-N850 VanDerWaalsContact C-N 3.31Å; F848-N850 PolarHBondContact O-N 2.77Å; N850-S854 WeakPolarHBondContact O-CB 3.38Å; N850-S854 PolarHBondContact O-N 2.73Å
851	Y	32.7	Very low	39.4	Very low	136 Å²	136	94 Å²	94	53%	0.533	55%	0.55	S	S	.	*	H	α-helix	trans	-84.8	-26.5	179.2	-133	-88.2	0	0	0	114	L849	L849-Y851 PolarHBondContact O-N 3.28Å
852	S	39.7	Very low	40.1	Very low	64 Å²	64	94 Å²	94	45%	0.448	54%	0.54	S	S	.	.	H	α-helix	trans	-83.3	-41	167.2	47.5	0	0	0	0	110.9	L849 S854 A855 Y856	L849-S852 PolarHBondContact O-N 3.42Å; L849-S852 PolarHBondContact O-OG 3.12Å; L849-S852 VanDerWaalsContact O-OG 3.06Å; S852-S854 VanDerWaalsContact C-N 3.31Å; S852-S854 PolarHBondContact O-N 3.48Å; S852-A855 WeakPolarHBondContact O-CA 3.4Å; S852-A855 WeakPolarHBondContact O-CB 3.34Å; S852-A855 PolarHBondContact O-N 3.44Å; S852-Y856 PolarHBondContact O-N 3.21Å
853	V	42.2	Very low	41.2	Very low	45 Å²	45	89.7 Å²	89.7	27%	0.273	51%	0.511	S	S	.	.	H	α-helix	trans	-58.9	-41.7	174	-179.1	0	0	0	0	110.8	L849 A855 Y856 S857 Y1177	L849-V853 PolarHBondContact O-N 2.99Å; V853-A855 PolarHBondContact O-N 2.71Å; V853-Y856 PolarHBondContact O-N 2.71Å; V853-S857 WeakPolarHBondContact O-CB 3.36Å; V853-S857 PolarHBondContact O-N 2.85Å; V853-Y1177 HydrophobicContact CG2-CE1 4.41Å
854	S	39.4	Very low	42	Very low	42 Å²	42	86.1 Å²	86.1	29%	0.294	50%	0.495	S	S	.	.	H	α-helix	trans	-61.5	-26.9	172.8	-179.3	0	0	0	0	113.2	K634 N850 S852 S858	K634-S854 PolarHBondContact NZ-OG 2.69Å; N850-S854 WeakPolarHBondContact O-CB 3.38Å; N850-S854 PolarHBondContact O-N 2.73Å; S852-S854 VanDerWaalsContact C-N 3.31Å; S852-S854 PolarHBondContact O-N 3.48Å; S854-S858 VanDerWaalsContact O-CB 3.29Å; S854-S858 WeakPolarHBondContact O-CB 3.24Å; S854-S858 PolarHBondContact O-N 3.17Å; S854-S858 VanDerWaalsContact O-N 3.11Å; S854-S858 PolarHBondContact O-OG 3.46Å
855	A	40.6	Very low	42.8	Very low	59 Å²	59	83.1 Å²	83.1	49%	0.488	48%	0.483	S	S	.	.	H	α-helix	trans	-80.1	-44.9	177.9	0	0	0	0	0	111.5	S852 V853 S858 M859	S852-A855 WeakPolarHBondContact O-CA 3.4Å; S852-A855 WeakPolarHBondContact O-CB 3.34Å; S852-A855 PolarHBondContact O-N 3.44Å; V853-A855 PolarHBondContact O-N 2.71Å; A855-S858 PolarHBondContact O-N 3.34Å; A855-M859 WeakPolarHBondContact O-CB 3.48Å; A855-M859 PolarHBondContact O-N 2.86Å
856	Y	43.8	Very low	43.5	Very low	136 Å²	136	83.4 Å²	83.4	53%	0.533	47%	0.473	S	S	.	.	H	α-helix	trans	-67.3	-43	174.9	-98.8	-85.2	0	0	0	112.3	S852 V853 S858 M859 V860	S852-Y856 PolarHBondContact O-N 3.21Å; V853-Y856 PolarHBondContact O-N 2.71Å; Y856-S858 VanDerWaalsContact C-N 3.34Å; Y856-S858 PolarHBondContact O-N 3.48Å; Y856-M859 HydrophobicContact CD1-CE 3.79Å; Y856-M859 HydrophobicContact CE1-CE 3.57Å; Y856-M859 CarbonylContact O-C 3.48Å; Y856-M859 WeakPolarHBondContact O-CA 3.34Å; Y856-M859 WeakPolarHBondContact O-CB 3.23Å; Y856-M859 PolarHBondContact O-N 2.91Å; Y856-V860 WeakPolarHBondContact O-CG2 3.45Å; Y856-V860 PolarHBondContact O-N 2.91Å
857	S	50.1	Low	44.3	Very low	74 Å²	74	84.7 Å²	84.7	52%	0.517	48%	0.476	S	S	.	.	H	α-helix	trans	-61.4	-39.5	172.3	176.6	0	0	0	0	111.9	V853 M859 A861	V853-S857 WeakPolarHBondContact O-CB 3.36Å; V853-S857 PolarHBondContact O-N 2.85Å; S857-M859 VanDerWaalsContact C-N 3.3Å; S857-M859 PolarHBondContact O-N 2.82Å; S857-A861 WeakPolarHBondContact O-CB 3.44Å; S857-A861 PolarHBondContact O-N 3.27Å
858	S	48.3	Very low	44.3	Very low	65 Å²	65	86.1 Å²	86.1	46%	0.455	49%	0.487	S	S	.	.	H	α-helix	trans	-64.8	-33.8	170.7	-57.2	0	0	0	0	112.3	S854 A855 Y856 F862	S854-S858 VanDerWaalsContact O-CB 3.29Å; S854-S858 WeakPolarHBondContact O-CB 3.24Å; S854-S858 PolarHBondContact O-N 3.17Å; S854-S858 VanDerWaalsContact O-N 3.11Å; S854-S858 PolarHBondContact O-OG 3.46Å; A855-S858 PolarHBondContact O-N 3.34Å; Y856-S858 VanDerWaalsContact C-N 3.34Å; Y856-S858 PolarHBondContact O-N 3.48Å; S858-F862 WeakPolarHBondContact O-CB 3.5Å; S858-F862 PolarHBondContact O-N 3.19Å
859	M	47.1	Very low	44.2	Very low	82 Å²	82	85.4 Å²	85.4	40%	0.404	50%	0.501	S	S	.	.	H	α-helix	trans	-73.4	-41.7	179.5	-166.8	177.7	77.7	0	0	111.7	A855 Y856 S857 F862 M863	A855-M859 WeakPolarHBondContact O-CB 3.48Å; A855-M859 PolarHBondContact O-N 2.86Å; Y856-M859 HydrophobicContact CD1-CE 3.79Å; Y856-M859 HydrophobicContact CE1-CE 3.57Å; Y856-M859 CarbonylContact O-C 3.48Å; Y856-M859 WeakPolarHBondContact O-CA 3.34Å; Y856-M859 WeakPolarHBondContact O-CB 3.23Å; Y856-M859 PolarHBondContact O-N 2.91Å; S857-M859 VanDerWaalsContact C-N 3.3Å; S857-M859 PolarHBondContact O-N 2.82Å; M859-F862 PolarHBondContact O-N 3.2Å; M859-M863 HydrophobicContact CE-CE 4.18Å; M859-M863 HydrophobicContact CG-CE 4.24Å; M859-M863 WeakPolarHBondContact O-CB 3.23Å; M859-M863 VanDerWaalsContact O-CG 3.31Å; M859-M863 WeakPolarHBondContact O-CG 3.46Å; M859-M863 PolarHBondContact O-N 3.23Å
860	V	56.8	Low	43.9	Very low	72 Å²	72	86.6 Å²	86.6	44%	0.436	51%	0.508	S	S	.	.	H	α-helix	trans	-66.3	-43.4	173.6	173.8	0	0	0	0	110.5	Y856 F862 M863 A864	Y856-V860 WeakPolarHBondContact O-CG2 3.45Å; Y856-V860 PolarHBondContact O-N 2.91Å; V860-F862 VanDerWaalsContact C-N 3.32Å; V860-F862 PolarHBondContact O-N 3.25Å; V860-M863 HydrophobicContact CG2-CE 4.4Å; V860-M863 PolarHBondContact O-N 3.3Å; V860-A864 VanDerWaalsContact O-CB 3.32Å; V860-A864 WeakPolarHBondContact O-CB 3.2Å; V860-A864 PolarHBondContact O-N 3.06Å
861	A	59.2	Low	43.8	Very low	58 Å²	58	89.8 Å²	89.8	48%	0.479	52%	0.524	S	S	.	.	H	α-helix	trans	-64.4	-34.5	173.3	0	0	0	0	0	112.7	S857 A865	S857-A861 WeakPolarHBondContact O-CB 3.44Å; S857-A861 PolarHBondContact O-N 3.27Å; A861-A865 WeakPolarHBondContact O-CB 3.44Å; A861-A865 PolarHBondContact O-N 3.41Å
862	F	47.6	Very low	43.9	Very low	122 Å²	122	88.2 Å²	88.2	54%	0.535	53%	0.533	S	S	.	.	H	α-helix	trans	-72.3	-37.6	175.2	179.4	-99.3	0	0	0	112.4	S858 M859 V860 A865 M866	S858-F862 WeakPolarHBondContact O-CB 3.5Å; S858-F862 PolarHBondContact O-N 3.19Å; M859-F862 PolarHBondContact O-N 3.2Å; V860-F862 VanDerWaalsContact C-N 3.32Å; V860-F862 PolarHBondContact O-N 3.25Å; F862-A865 CarbonylContact O-C 3.37Å; F862-A865 PolarHBondContact O-N 2.9Å; F862-M866 HydrophobicContact CD1-SD 4.13Å; F862-M866 HydrophobicContact CE1-CE 3.87Å; F862-M866 HydrophobicContact CE1-CG 4.2Å; F862-M866 HydrophobicContact CE1-SD 3.42Å; F862-M866 WeakPolarHBondContact CE1-SD 3.38Å; F862-M866 HydrophobicContact CE2-CE 4.43Å; F862-M866 HydrophobicContact CZ-CE 3.55Å; F862-M866 HydrophobicContact CZ-CG 4.31Å; F862-M866 HydrophobicContact CZ-SD 3.73Å; F862-M866 WeakPolarHBondContact O-CB 3.37Å; F862-M866 WeakPolarHBondContact O-CG 3.35Å; F862-M866 PolarHBondContact O-N 3.01Å
863	M	49.2	Very low	43.5	Very low	45 Å²	45	97.2 Å²	97.2	22%	0.222	56%	0.557	C	S	.	*	H	α-helix	trans	-68.7	-46.4	173.2	-70.5	-176.5	-55.1	0	0	110.7	M859 V860 A865 M866 Q867 I1131	M859-M863 HydrophobicContact CE-CE 4.18Å; M859-M863 HydrophobicContact CG-CE 4.24Å; M859-M863 WeakPolarHBondContact O-CB 3.23Å; M859-M863 VanDerWaalsContact O-CG 3.31Å; M859-M863 WeakPolarHBondContact O-CG 3.46Å; M859-M863 PolarHBondContact O-N 3.23Å; V860-M863 HydrophobicContact CG2-CE 4.4Å; V860-M863 PolarHBondContact O-N 3.3Å; M863-A865 PolarHBondContact O-N 3.12Å; M863-M866 CarbonylContact O-C 3.58Å; M863-M866 WeakPolarHBondContact O-CA 3.43Å; M863-M866 WeakPolarHBondContact O-CB 3.44Å; M863-M866 PolarHBondContact O-N 2.83Å; M863-Q867 PolarHBondContact O-N 2.66Å; M863-Q867 PolarHBondContact O-OE1 2.83Å; M863-I1131 HydrophobicContact SD-CD1 3.98Å; M863-I1131 HydrophobicContact SD-CG1 4.31Å
864	A	47.9	Very low	43	Very low	57 Å²	57	99.9 Å²	99.9	47%	0.471	58%	0.584	S	S	.	*	H	α-helix	trans	-57	-37.2	171.8	0	0	0	0	0	112.6	V860 C868	V860-A864 VanDerWaalsContact O-CB 3.32Å; V860-A864 WeakPolarHBondContact O-CB 3.2Å; V860-A864 PolarHBondContact O-N 3.06Å; A864-C868 PolarHBondContact O-N 3.45Å
865	A	47.1	Very low	42.4	Very low	65 Å²	65	105.7 Å²	105.7	54%	0.537	61%	0.606	S	S	.	*	H	α-helix	trans	-73.2	-22.7	172.5	0	0	0	0	0	114	A861 F862 M863	A861-A865 WeakPolarHBondContact O-CB 3.44Å; A861-A865 PolarHBondContact O-N 3.41Å; F862-A865 CarbonylContact O-C 3.37Å; F862-A865 PolarHBondContact O-N 2.9Å; M863-A865 PolarHBondContact O-N 3.12Å
866	M	44.6	Very low	41.8	Very low	124 Å²	124	110.4 Å²	110.4	61%	0.611	62%	0.623	S	S	*	*	H	α-helix	trans	-84.2	-30.2	173	-81.5	-167.2	143.9	0	0	113.3	F862 M863 C868 G869	F862-M866 HydrophobicContact CD1-SD 4.13Å; F862-M866 HydrophobicContact CE1-CE 3.87Å; F862-M866 HydrophobicContact CE1-CG 4.2Å; F862-M866 HydrophobicContact CE1-SD 3.42Å; F862-M866 WeakPolarHBondContact CE1-SD 3.38Å; F862-M866 HydrophobicContact CE2-CE 4.43Å; F862-M866 HydrophobicContact CZ-CE 3.55Å; F862-M866 HydrophobicContact CZ-CG 4.31Å; F862-M866 HydrophobicContact CZ-SD 3.73Å; F862-M866 WeakPolarHBondContact O-CB 3.37Å; F862-M866 WeakPolarHBondContact O-CG 3.35Å; F862-M866 PolarHBondContact O-N 3.01Å; M863-M866 CarbonylContact O-C 3.58Å; M863-M866 WeakPolarHBondContact O-CA 3.43Å; M863-M866 WeakPolarHBondContact O-CB 3.44Å; M863-M866 PolarHBondContact O-N 2.83Å; M866-C868 PolarHBondContact O-N 3.11Å; M866-G869 PolarHBondContact O-N 2.88Å
867	Q	47.4	Very low	41.1	Very low	131 Å²	131	111 Å²	111	61%	0.612	63%	0.633	S	S	*	*	H	α-helix	trans	-62	-29.8	166.8	-105.1	80	35.5	0	0	111.2	M863 G869	M863-Q867 PolarHBondContact O-N 2.66Å; M863-Q867 PolarHBondContact O-OE1 2.83Å; Q867-G869 PolarHBondContact O-N 3.11Å; Q867-G869 VanDerWaalsContact O-N 3.1Å
868	C	36	Very low	39.9	Very low	110 Å²	110	113.2 Å²	113.2	74%	0.743	65%	0.649	S	S	*	*	S	Bend	trans	-82.2	53.3	167	-66.8	0	0	0	0	112.3	A864 M866 D870	A864-C868 PolarHBondContact O-N 3.45Å; M866-C868 PolarHBondContact O-N 3.11Å; C868-D870 PolarHBondContact O-N 2.94Å
869	G	34.4	Very low	39.1	Very low	62 Å²	62	114.6 Å²	114.6	64%	0.639	66%	0.659	S	S	*	*			trans	-81	109.8	-172.7	0	0	0	0	0	114.6	M866 Q867	M866-G869 PolarHBondContact O-N 2.88Å; Q867-G869 PolarHBondContact O-N 3.11Å; Q867-G869 VanDerWaalsContact O-N 3.1Å
870	D	33.3	Very low	38.3	Very low	157 Å²	157	115.6 Å²	115.6	84%	0.84	67%	0.673	S	S	*	*			trans	-139.8	85.4	161.9	-148.7	-15.4	0	0	0	110.2	C868	C868-D870 PolarHBondContact O-N 2.94Å
871	L	31.5	Very low	36.9	Very low	179 Å²	179	117.1 Å²	117.1	94%	0.937	69%	0.687	S	S	*	*			trans	-119.2	87.5	-166	-160.7	84	0	0	0	112
872	S	35.8	Very low	35.5	Very low	104 Å²	104	120 Å²	120	73%	0.727	70%	0.699	S	S	*	*			trans	-139	142.3	171.7	75.9	0	0	0	0	114.8
873	R	30.7	Very low	34.6	Very low	252 Å²	252	120.9 Å²	120.9	95%	0.951	71%	0.71	S	S	*	*			trans	72.5	148.9	173.6	-83.1	-179.7	155.9	146.5	-5	120.7
874	A	31.9	Very low	33.5	Very low	101 Å²	101	126.1 Å²	126.1	84%	0.835	74%	0.738	S	S	*	*			trans	77.4	68.1	155.3	0	0	0	0	0	120.5
875	H	26.4	Very low	32.5	Very low	164 Å²	164	127.6 Å²	127.6	76%	0.759	74%	0.744	S	S	*	*			trans	-84.8	117	133.3	-117	-57.4	0	0	0	107.9	R524	R524-H875 PolarHBondContact NH2-NE2 2.94Å
876	L	28.2	Very low	31.8	Very low	159 Å²	159	132.7 Å²	132.7	83%	0.832	76%	0.757	S	S	*	*			trans	174	157.4	143	-100.5	167.7	0	0	0	113.8
877	I	30.5	Very low	31.1	Very low	148 Å²	148	133.6 Å²	133.6	76%	0.759	76%	0.764	S	S	*	*			trans	67	112.6	168.6	-60.1	158.5	0	0	0	116.9
878	S	24.7	Very low	30.3	Very low	120 Å²	120	132.3 Å²	132.3	84%	0.839	77%	0.765	S	S	*	*			trans	-115.4	114.2	162.5	56.1	0	0	0	0	109.6
879	S	30.2	Very low	30.1	Very low	95 Å²	95	133.7 Å²	133.7	66%	0.664	77%	0.765	S	S	*	*			trans	-170.4	149.4	162.9	50.7	0	0	0	0	113.1
880	S	31	Very low	30	Very low	102 Å²	102	137.8 Å²	137.8	71%	0.713	77%	0.772	S	S	*	*			trans	54.4	110.5	156.5	55.5	0	0	0	0	119.9
881	S	27.7	Very low	29.7	Very low	104 Å²	104	136.2 Å²	136.2	73%	0.727	76%	0.763	S	S	*	*			trans	-17.5	147.7	133.4	57.3	0	0	0	0	115.9
882	T	29.7	Very low	29.6	Very low	118 Å²	118	136.5 Å²	136.5	72%	0.724	76%	0.757	S	S	*	*				-157.1	170.2	52.7	41.6	0	0	0	0	114.1
883	N	28	Very low	29.4	Very low	142 Å²	142	137.6 Å²	137.6	76%	0.759	76%	0.759	S	S	*	*			trans	61.8	107.4	149.4	-70.4	-8.8	0	0	0	121.3
884	L	27.1	Very low	29.5	Very low	155 Å²	155	130.9 Å²	130.9	81%	0.812	75%	0.748	S	S	*	*				79.4	127.4	113.1	-145	78.2	0	0	0	120.3
885	S	26.7	Very low	29.3	Very low	87 Å²	87	131.2 Å²	131.2	61%	0.608	75%	0.745	S	S	*	*			trans	65.7	128.5	147	48.7	0	0	0	0	122
886	E	32.2	Very low	29.4	Very low	172 Å²	172	130.7 Å²	130.7	80%	0.804	75%	0.747	S	S	*	*			trans	83.9	122	141.3	-71.2	169.8	172.8	0	0	121.2
887	L	30.2	Very low	29.4	Very low	143 Å²	143	128 Å²	128	75%	0.749	74%	0.742	S	S	*	*			trans	54.3	102.7	144.1	-57.2	162.4	0	0	0	116.9
888	T	30.2	Very low	29.2	Very low	104 Å²	104	128.6 Å²	128.6	64%	0.638	75%	0.745	S	S	*	*				63.5	129.3	65.3	78.9	0	0	0	0	115.5
889	D	31.5	Very low	29.4	Very low	139 Å²	139	128 Å²	128	74%	0.743	74%	0.739	S	S	*	*			trans	73.6	144	156.1	-47.8	-39.4	0	0	0	119.4
890	L	31.5	Very low	29.2	Very low	149 Å²	149	129.1 Å²	129.1	78%	0.78	74%	0.743	S	S	*	*			cis	-157.1	-176.3	-17.1	-119.3	171.7	0	0	0	112
891	N	28.3	Very low	28.9	Very low	124 Å²	124	129.9 Å²	129.9	66%	0.663	74%	0.743	S	S	*	*			trans	-84.5	151	-164.6	-79.7	-44.8	0	0	0	118.1
892	F	28.4	Very low	29	Very low	184 Å²	184	131.3 Å²	131.3	81%	0.807	74%	0.743	S	S	*	*			trans	56.9	150	136.9	-81.2	-115	0	0	0	123.3
893	T	31.5	Very low	28.9	Very low	127 Å²	127	132.8 Å²	132.8	78%	0.779	75%	0.745	S	S	*	*				-166.8	160.9	128.1	12	0	0	0	0	112.4
894	P	32.9	Very low	29.2	Very low	111 Å²	111	130.7 Å²	130.7	72%	0.721	74%	0.739	S	S	*	*			trans	-124.5	-179.6	-170.7	43.5	-31.8	0	0	0	115.5
895	S	28.5	Very low	29.4	Very low	108 Å²	108	131.2 Å²	131.2	76%	0.755	74%	0.737	S	S	*	*				172	143.8	128.1	47.3	0	0	0	0	118.1
896	N	27.8	Very low	29.6	Very low	153 Å²	153	132.8 Å²	132.8	82%	0.818	74%	0.743	S	S	*	*			trans	17.4	137.8	145.3	-52.5	-20.2	0	0	0	123.5
897	S	28.9	Very low	29.4	Very low	104 Å²	104	131.9 Å²	131.9	73%	0.727	74%	0.742	S	S	*	*				-176.1	117.5	116.3	33	0	0	0	0	118.2
898	I	26.7	Very low	29.6	Very low	160 Å²	160	130.4 Å²	130.4	82%	0.821	74%	0.741	S	S	*	*			trans	63.2	155.9	134.2	-38.1	162.4	0	0	0	121
899	C	28.7	Very low	29.5	Very low	106 Å²	106	130.9 Å²	130.9	72%	0.716	75%	0.748	S	S	*	*			trans	75.7	114.3	172.5	-57	0	0	0	0	116.3
900	T	25.3	Very low	29.5	Very low	120 Å²	120	131.3 Å²	131.3	74%	0.736	75%	0.749	S	S	*	*			cis	68	107.8	39.2	78.2	0	0	0	0	116
901	T	25.5	Very low	29.4	Very low	118 Å²	118	131.1 Å²	131.1	72%	0.724	75%	0.745	S	S	*	*			trans	31.1	122.4	142.3	55.1	0	0	0	0	118.1
902	D	28.5	Very low	29.5	Very low	133 Å²	133	133.3 Å²	133.3	71%	0.711	75%	0.748	S	S	*	*				179.9	154.8	75.6	-102.9	-39.5	0	0	0	115.5
903	I	29.1	Very low	29.5	Very low	149 Å²	149	128.5 Å²	128.5	76%	0.764	74%	0.737	S	S	*	*			trans	73.4	149.1	142.9	-69.4	168.6	0	0	0	120.4
904	P	34.5	Very low	29.2	Very low	99 Å²	99	132.3 Å²	132.3	64%	0.643	74%	0.742	S	S	*	*			trans	-121.6	-171.3	-160	43.6	-29.5	0	0	0	115.3
905	H	30.3	Very low	29	Very low	165 Å²	165	133.5 Å²	133.5	76%	0.764	74%	0.743	S	S	*	*				171.3	155	129.4	-93	-65.2	0	0	0	115.9
906	T	30.2	Very low	29.1	Very low	120 Å²	120	133.6 Å²	133.6	74%	0.736	74%	0.739	S	S	*	*			trans	58.1	119.1	156.7	46.2	0	0	0	0	120.2
907	I	29.3	Very low	29.1	Very low	153 Å²	153	132.3 Å²	132.3	79%	0.785	74%	0.736	S	S	*	*				62.4	117.2	51.7	-57.6	-179.6	0	0	0	111.5
908	P	34.1	Very low	29.1	Very low	113 Å²	113	132.7 Å²	132.7	73%	0.734	74%	0.735	S	S	*	*				-156	144.4	74	38.3	-15.8	0	0	0	122
909	S	28.3	Very low	29.1	Very low	113 Å²	113	131.4 Å²	131.4	79%	0.79	73%	0.734	S	S	*	*				76.8	168.1	127.1	-60.6	0	0	0	0	125
910	I	31.6	Very low	29.1	Very low	148 Å²	148	131.9 Å²	131.9	76%	0.759	74%	0.739	S	S	*	*			trans	84	91.6	175.3	-53.2	178.7	0	0	0	112.9
911	E	30	Very low	29.2	Very low	146 Å²	146	133.8 Å²	133.8	68%	0.682	74%	0.744	S	S	*	*				67.9	138.4	86.9	-70.2	-178.1	173.6	0	0	113.1
912	F	29.2	Very low	29.3	Very low	169 Å²	169	135.3 Å²	135.3	74%	0.741	75%	0.753	S	S	*	*			cis	-160.3	161.8	-0	-107.6	-38.4	0	0	0	107.5
913	C	28.3	Very low	29.3	Very low	83 Å²	83	134 Å²	134	56%	0.561	75%	0.754	S	S	*	*			cis	-158.2	163.2	-9.1	-170.3	0	0	0	0	108.7
914	K	25.3	Very low	29.3	Very low	207 Å²	207	131.6 Å²	131.6	90%	0.9	75%	0.75	S	S	*	*			trans	-144.9	97.9	164.5	-98.2	-170.2	177.5	179.8	0	111.4
915	N	29.7	Very low	29	Very low	136 Å²	136	133.6 Å²	133.6	73%	0.727	76%	0.756	S	S	*	*			trans	-95.3	145.6	166.1	-77.5	-2.6	0	0	0	108.9
916	T	29	Very low	28.7	Very low	111 Å²	111	131.1 Å²	131.1	68%	0.681	76%	0.756	S	S	*	*			cis	-169.2	153.7	-0.5	16.4	0	0	0	0	109.3
917	V	29.6	Very low	28.5	Very low	125 Å²	125	130.3 Å²	130.3	76%	0.758	76%	0.755	S	S	*	*			trans	62.5	140.1	138.4	168.5	0	0	0	0	119.7
918	T	28.1	Very low	28.4	Very low	113 Å²	113	130.1 Å²	130.1	69%	0.693	76%	0.756	S	S	*	*			cis	-170.9	157.3	-44.8	31.9	0	0	0	0	108.3
919	T	26.8	Very low	28	Very low	132 Å²	132	133.7 Å²	133.7	81%	0.81	76%	0.756	S	S	*	*			trans	-5.5	132.4	157.3	56.3	0	0	0	0	120
920	S	27.9	Very low	28	Very low	117 Å²	117	134 Å²	134	82%	0.818	75%	0.747	S	S	*	*			trans	-157.7	143.6	136.6	54.3	0	0	0	0	111.6
921	L	27.7	Very low	28	Very low	160 Å²	160	134.7 Å²	134.7	84%	0.838	75%	0.747	S	S	*	*			trans	-87.3	151.5	170.9	-67.8	74.4	0	0	0	109.5
922	T	27.1	Very low	28	Very low	149 Å²	149	133.3 Å²	133.3	91%	0.914	75%	0.749	S	S	*	*			trans	-168.5	165.9	131.7	10.3	0	0	0	0	110.9
923	S	28.8	Very low	28.1	Very low	105 Å²	105	134.5 Å²	134.5	73%	0.734	75%	0.754	S	S	*	*			trans	-111.3	171.7	-171.1	54.9	0	0	0	0	113.5
924	S	30.2	Very low	28.3	Very low	99 Å²	99	136.8 Å²	136.8	69%	0.692	77%	0.765	S	S	*	*			trans	85.8	144.2	162.4	79	0	0	0	0	119.6
925	N	27	Very low	28.6	Very low	141 Å²	141	131.2 Å²	131.2	75%	0.754	75%	0.752	S	S	*	*			trans	65.9	109.3	169.2	-51.7	-27.9	0	0	0	116.1
926	C	24.4	Very low	28.8	Very low	114 Å²	114	133 Å²	133	77%	0.77	76%	0.756	S	S	*	*				75.9	108.8	58.9	-62.4	0	0	0	0	114.7
927	S	26.4	Very low	28.9	Very low	102 Å²	102	134.7 Å²	134.7	71%	0.713	76%	0.76	S	S	*	*			trans	60	107.1	152.5	-52.8	0	0	0	0	119.9
928	N	27.1	Very low	29	Very low	149 Å²	149	134.1 Å²	134.1	80%	0.797	75%	0.753	S	S	*	*				170	159.9	98.4	-90	-54.2	0	0	0	114.7
929	Y	26.5	Very low	29.1	Very low	189 Å²	189	137.1 Å²	137.1	74%	0.741	75%	0.753	S	S	*	*			trans	64.2	116.9	158.5	-96.1	-125	0	0	0	118.7
930	I	27	Very low	29.3	Very low	118 Å²	118	136.1 Å²	136.1	61%	0.605	75%	0.748	S	S	*	*				73.5	120.2	73.8	-71.1	176.3	0	0	0	111.5
931	Q	32.7	Very low	29.1	Very low	163 Å²	163	138.1 Å²	138.1	76%	0.762	75%	0.748	S	S	*	*				-168	125.6	77.2	-143.6	151.9	44.9	0	0	116.5
932	T	29.1	Very low	29.2	Very low	117 Å²	117	138.7 Å²	138.7	72%	0.718	75%	0.75	S	S	*	*			trans	45.6	117.3	144.1	61.1	0	0	0	0	124.7
933	K	31.4	Very low	29.1	Very low	195 Å²	195	138.2 Å²	138.2	85%	0.848	74%	0.742	S	S	*	*				177.4	118.7	109.2	-93.7	176.8	179.8	-176.7	0	108.4
934	V	31.5	Very low	29.1	Very low	130 Å²	130	137.7 Å²	137.7	79%	0.788	74%	0.739	S	S	*	*				66.1	117.7	66.1	179.6	0	0	0	0	110.5
935	S	33.1	Very low	29	Very low	91 Å²	91	138 Å²	138	64%	0.636	74%	0.741	S	S	*	*			cis	-140.9	164.9	33.1	-47.3	0	0	0	0	115.7
936	E	33.3	Very low	29.2	Very low	174 Å²	174	138.7 Å²	138.7	81%	0.813	75%	0.745	S	S	*	*			trans	62.5	132.6	152.5	-69.4	162.8	-135.7	0	0	119.2
937	L	31.9	Very low	29.4	Very low	146 Å²	146	139.8 Å²	139.8	76%	0.764	74%	0.742	S	S	*	*			cis	-149.5	132.8	3.4	-103.8	155.5	0	0	0	112.2
938	N	31.9	Very low	29.5	Very low	113 Å²	113	141.8 Å²	141.8	60%	0.604	75%	0.745	S	S	*	*			trans	2.5	153.5	146.5	-69.8	-3.9	0	0	0	121.6
939	Y	29.8	Very low	29.8	Very low	176 Å²	176	140.7 Å²	140.7	69%	0.69	74%	0.744	S	S	*	*			cis	-155.5	175.3	9.8	-107.2	-24	0	0	0	111.9
940	P	31.1	Very low	30	Very low	110 Å²	110	138.1 Å²	138.1	71%	0.714	74%	0.743	S	S	*	*			trans	-132.8	-179.4	-144.4	43.8	-26.5	0	0	0	117.6
941	I	24.1	Very low	30.3	Very low	160 Å²	160	138.4 Å²	138.4	82%	0.821	75%	0.75	S	S	*	*			trans	-102	145.4	159	-59.1	163.4	0	0	0	108
942	I	28.8	Very low	30.2	Very low	171 Å²	171	139 Å²	139	88%	0.877	75%	0.75	S	S	*	*			trans	-164.1	157.8	152.5	-109	152.8	0	0	0	111.3
943	N	26	Very low	30.4	Very low	139 Å²	139	140.1 Å²	140.1	74%	0.743	75%	0.75	S	S	*	*			trans	-131.4	146.4	-175.3	-160.3	-5.9	0	0	0	110.6
944	S	27.4	Very low	30.3	Very low	95 Å²	95	136 Å²	136	66%	0.664	74%	0.741	S	S	*	*			trans	65	133.8	157.6	-60.6	0	0	0	0	122
945	S	29.1	Very low	30.4	Very low	105 Å²	105	137.5 Å²	137.5	73%	0.734	74%	0.74	S	S	*	*			trans	64.5	124.1	148.1	67.5	0	0	0	0	123
946	N	31.1	Very low	30.4	Very low	156 Å²	156	137.3 Å²	137.3	83%	0.834	74%	0.738	S	S	*	*				-162.1	167.3	119.8	-114.3	-71.8	0	0	0	114
947	L	28.6	Very low	30.3	Very low	136 Å²	136	136 Å²	136	71%	0.712	74%	0.735	S	S	*	*			trans	-93.7	145.7	-171.4	-70	66.1	0	0	0	113.1
948	N	28.2	Very low	30.3	Very low	145 Å²	145	134.6 Å²	134.6	78%	0.775	73%	0.728	S	S	*	*				162.5	134.8	107.9	-96.1	-46.7	0	0	0	113.6
949	T	33.3	Very low	30.3	Very low	126 Å²	126	136.5 Å²	136.5	77%	0.773	73%	0.734	S	S	*	*				-175	117.6	119.6	26.9	0	0	0	0	113.3
950	N	29.8	Very low	30.5	Very low	135 Å²	135	133.7 Å²	133.7	72%	0.722	73%	0.73	S	S	*	*			trans	58.4	137.1	138.9	-65.8	-28.9	0	0	0	124.1
951	T	33.3	Very low	30.4	Very low	123 Å²	123	134 Å²	134	76%	0.755	73%	0.726	S	S	*	*			trans	67.7	141.7	154.5	53.9	0	0	0	0	118.4
952	K	32.2	Very low	30.9	Very low	175 Å²	175	134.2 Å²	134.2	76%	0.761	72%	0.723	S	S	*	*			cis	-165.8	166.3	-8.5	-123.7	169.5	-177.4	177.7	0	109.5
953	I	32.2	Very low	31	Very low	141 Å²	141	130.5 Å²	130.5	72%	0.723	71%	0.712	S	S	*	*			trans	68.4	104	155.7	-69	160.3	0	0	0	114.9
954	T	30.4	Very low	31.2	Very low	108 Å²	108	128.5 Å²	128.5	66%	0.663	71%	0.709	S	S	*	*				51.7	133.6	78.8	66.6	0	0	0	0	113.9
955	H	33.6	Very low	31.3	Very low	163 Å²	163	131.7 Å²	131.7	76%	0.755	72%	0.717	S	S	*	*			cis	-148.6	139.8	22.7	-101.5	-70.1	0	0	0	107.8
956	S	32.5	Very low	31.2	Very low	86 Å²	86	131.8 Å²	131.8	60%	0.601	72%	0.717	S	S	*	*				78.4	142.5	74.3	-56.1	0	0	0	0	116.6
957	I	31.7	Very low	31.1	Very low	148 Å²	148	129.4 Å²	129.4	76%	0.759	71%	0.712	S	S	*	*			trans	72.1	129.7	144.2	-72.2	162.2	0	0	0	115.4
958	N	31.5	Very low	31.1	Very low	115 Å²	115	127.9 Å²	127.9	62%	0.615	71%	0.713	S	S	*	*			cis	-147.2	162.4	2.5	-111.7	14.9	0	0	0	108.7
959	E	32.1	Very low	31.2	Very low	154 Å²	154	126.3 Å²	126.3	72%	0.72	71%	0.713	S	S	*	*				54.8	147.9	62.2	-84.1	-171.7	-171.7	0	0	112.6
960	L	32.9	Very low	31	Very low	116 Å²	116	126.7 Å²	126.7	61%	0.607	72%	0.716	S	S	*	*			cis	-163.3	-167.4	12.4	-133.6	176.7	0	0	0	108.6
961	N	30.6	Very low	31.1	Very low	118 Å²	118	125.9 Å²	125.9	63%	0.631	72%	0.717	S	S	*	*			trans	73.4	146.2	156.1	-58.3	-28.1	0	0	0	116.8
962	H	32.8	Very low	30.7	Very low	164 Å²	164	125.5 Å²	125.5	76%	0.759	72%	0.72	S	S	*	*			cis	-178.1	169.6	-16.5	-108.2	-169.8	0	0	0	104.5
963	S	32.1	Very low	30.6	Very low	93 Å²	93	124.4 Å²	124.4	65%	0.65	72%	0.722	S	S	*	*			cis	-161.9	154.9	-8	41.1	0	0	0	0	108.3
964	S	29.3	Very low	30.4	Very low	97 Å²	97	125 Å²	125	68%	0.678	73%	0.726	S	S	*	*			trans	-31.3	150	158.7	54.2	0	0	0	0	116.8
965	I	30.7	Very low	30.2	Very low	161 Å²	161	126.1 Å²	126.1	83%	0.826	73%	0.732	S	S	*	*				-170.3	155.5	110.9	-94.9	154.1	0	0	0	111.7
966	C	27.1	Very low	29.9	Very low	108 Å²	108	124.2 Å²	124.2	73%	0.73	73%	0.732	S	S	*	*			trans	-53.2	175.6	-168.5	-49.6	0	0	0	0	119.8
967	S	28.5	Very low	29.8	Very low	105 Å²	105	127.9 Å²	127.9	73%	0.734	74%	0.744	S	S	*	*			trans	96.6	99.1	144	-56.4	0	0	0	0	119.9
968	S	27.5	Very low	29.7	Very low	105 Å²	105	125.8 Å²	125.8	73%	0.734	74%	0.742	S	S	*	*			trans	64.6	151.3	131.3	59.5	0	0	0	0	121.9
969	S	32	Very low	29.8	Very low	111 Å²	111	127 Å²	127	78%	0.776	75%	0.749	S	S	*	*			trans	62	111.7	163.6	45.3	0	0	0	0	118.4
970	T	28.1	Very low	29.8	Very low	135 Å²	135	128 Å²	128	83%	0.828	75%	0.751	S	S	*	*			trans	-49.8	152.8	144.1	36.5	0	0	0	0	110.9
971	P	31.9	Very low	29.6	Very low	117 Å²	117	128.7 Å²	128.7	76%	0.76	76%	0.755	S	S	*	*				-138.8	173.9	51	40	-21.9	0	0	0	117.4
972	S	25.7	Very low	29.8	Very low	116 Å²	116	131.1 Å²	131.1	81%	0.811	76%	0.763	S	S	*	*			trans	-54.4	138.1	177.5	-42.4	0	0	0	0	113.3
973	N	30.4	Very low	29.7	Very low	151 Å²	151	131.1 Å²	131.1	81%	0.807	76%	0.761	S	S	*	*			trans	-146.2	144.4	160	-103.2	-48.2	0	0	0	113.2
974	I	27.8	Very low	29.8	Very low	155 Å²	155	132.5 Å²	132.5	80%	0.795	76%	0.76	S	S	*	*			trans	-57.6	147.6	-170.9	-68	156.9	0	0	0	114
975	V	26	Very low	30.1	Very low	131 Å²	131	133.9 Å²	133.9	79%	0.794	76%	0.756	S	S	*	*			trans	-91.1	145.4	169.9	170	0	0	0	0	111.2
976	T	26.7	Very low	30.2	Very low	123 Å²	123	135.6 Å²	135.6	76%	0.755	75%	0.752	S	S	*	*			trans	-161.7	165.2	150.1	-3.4	0	0	0	0	112.5
977	L	31	Very low	30.5	Very low	163 Å²	163	139.2 Å²	139.2	85%	0.853	76%	0.755	S	S	*	*			trans	83.4	71.7	165.9	-65.2	152.5	0	0	0	120
978	S	28.4	Very low	30.6	Very low	104 Å²	104	142.4 Å²	142.4	73%	0.727	76%	0.759	S	S	*	*				19.6	132.5	121.1	-171	0	0	0	0	121.6
979	N	33.3	Very low	30.9	Very low	140 Å²	140	145.2 Å²	145.2	75%	0.749	76%	0.764	S	S	*	*			trans	176.7	157.5	145.4	-91.4	-48	0	0	0	108.4
980	K	32.7	Very low	30.9	Very low	175 Å²	175	145.2 Å²	145.2	76%	0.761	76%	0.761	S	S	*	*			cis	-166.6	168.5	-33.1	-126.4	-174.8	-173.6	171.8	0	108.2
981	D	28.4	Very low	31.1	Very low	131 Å²	131	145.5 Å²	145.5	70%	0.701	76%	0.757	S	S	*	*			trans	-41.5	148.9	-177.4	-40.6	-77.9	0	0	0	117.6
982	Q	35.5	Very low	31.5	Very low	168 Å²	168	147.8 Å²	147.8	79%	0.785	76%	0.757	S	S	*	*				176.5	135	112	-95.5	179.6	29.3	0	0	117.1
983	F	30.3	Very low	32.2	Very low	165 Å²	165	150.4 Å²	150.4	72%	0.724	76%	0.757	S	S	*	*			trans	76.1	111.8	133	-82.3	-145.7	0	0	0	124.2
984	L	35.1	Very low	32.8	Very low	121 Å²	121	146.3 Å²	146.3	63%	0.634	74%	0.74	S	S	*	*				81.9	122.8	122	-62.9	-179	0	0	0	123.5
985	Q	34.3	Very low	33.6	Very low	127 Å²	127	144.4 Å²	144.4	59%	0.593	73%	0.729	S	S	*	*				84.3	110.1	128.1	-75.7	-177.7	60.5	0	0	122.3
986	R	32.7	Very low	34.7	Very low	197 Å²	197	144.9 Å²	144.9	74%	0.743	72%	0.723	S	S	*	*				97.4	128.4	122.6	-77	-175.1	-148.2	-100.1	0.7	121.4
987	K	34.2	Very low	35.6	Very low	184 Å²	184	144.2 Å²	144.2	80%	0.8	71%	0.713	S	S	*	*			trans	92.8	124.1	136.5	-83.4	-176.2	169.1	-165	0	119.1
988	E	31.7	Very low	36.5	Very low	172 Å²	172	141.1 Å²	141.1	80%	0.804	70%	0.697	S	S	*	*			trans	-74.5	149.1	165	-42.2	97.5	127.2	0	0	111.8
989	I	32.3	Very low	37.9	Very low	164 Å²	164	142 Å²	142	84%	0.841	69%	0.689	S	S	*	*			trans	-136.1	137.2	150.4	-60.8	-175.3	0	0	0	106.3
990	P	32.6	Very low	39.2	Very low	111 Å²	111	139.6 Å²	139.6	72%	0.721	68%	0.68	S	S	*	*			trans	-108.6	-170.7	-157.6	39.7	-30.2	0	0	0	115.3
991	L	31.5	Very low	40.1	Very low	141 Å²	141	135.3 Å²	135.3	74%	0.738	67%	0.665	S	S	*	*			trans	-48.5	137.3	-175.8	-66.7	70.5	0	0	0	114.2
992	Q	41.7	Very low	41.8	Very low	165 Å²	165	135.7 Å²	135.7	77%	0.771	66%	0.661	S	S	*	*			trans	-152	-41.3	154.2	-151	145.1	-14.8	0	0	113.8	S994 M995	Q992-S994 VanDerWaalsContact C-N 3.3Å; Q992-S994 PolarHBondContact O-N 3.34Å; Q992-M995 PolarHBondContact O-N 2.83Å
993	E	38.7	Very low	43.2	Very low	170 Å²	170	131.4 Å²	131.4	79%	0.794	64%	0.64	S	S	*	*	H	α-helix	trans	-67.2	-20.3	-172.6	-62	179.6	136.3	0	0	115.3
994	S	44.3	Very low	44.6	Very low	65 Å²	65	129.5 Å²	129.5	46%	0.455	64%	0.637	S	S	.	*	H	α-helix	trans	-77.6	-16	179.5	55.1	0	0	0	0	114.3	Q992	Q992-S994 VanDerWaalsContact C-N 3.3Å; Q992-S994 PolarHBondContact O-N 3.34Å
995	M	44.3	Very low	45.6	Very low	116 Å²	116	128 Å²	128	57%	0.571	63%	0.63	S	S	*	*	H	α-helix	trans	-84.5	-39	179.7	-77.7	-178.8	57.7	0	0	113.2	Q992 I997 I998 E999	Q992-M995 PolarHBondContact O-N 2.83Å; M995-I997 PolarHBondContact O-N 2.96Å; M995-I998 WeakPolarHBondContact O-CA 3.36Å; M995-I998 PolarHBondContact O-N 3.01Å; M995-E999 PolarHBondContact O-N 3.17Å
996	E	49.1	Very low	47.2	Very low	140 Å²	140	128 Å²	128	65%	0.654	63%	0.628	S	S	*	*	H	α-helix	trans	-61.2	-33.5	179.3	-68.9	-168.7	134	0	0	112.1	I998 E999 T1000	E996-I998 VanDerWaalsContact C-N 3.26Å; E996-I998 PolarHBondContact O-N 3.15Å; E996-E999 PolarHBondContact O-N 3.38Å; E996-T1000 WeakPolarHBondContact O-CB 3.38Å; E996-T1000 VanDerWaalsContact O-CG2 3.32Å; E996-T1000 WeakPolarHBondContact O-CG2 3.49Å; E996-T1000 PolarHBondContact O-N 3.18Å; E996-T1000 PolarHBondContact O-OG1 2.75Å
997	I	46.2	Very low	48.6	Very low	109 Å²	109	121.7 Å²	121.7	56%	0.559	61%	0.609	S	S	*	*	H	α-helix	trans	-65.6	-29.5	174.9	-59.7	176.3	0	0	0	111.4	M995 T1000 N1001	M995-I997 PolarHBondContact O-N 2.96Å; I997-T1000 WeakPolarHBondContact CA-OG1 3.49Å; I997-T1000 PolarHBondContact O-OG1 3.28Å; I997-N1001 PolarHBondContact O-N 2.93Å; I997-N1001 PolarHBondContact O-ND2 3.17Å
998	I	48.4	Very low	49.8	Very low	99 Å²	99	117.3 Å²	117.3	51%	0.508	59%	0.594	S	S	.	*	H	α-helix	trans	-82.4	-39.4	176.8	-63.2	173.7	0	0	0	110.8	M995 E996 N1001 K1002	M995-I998 WeakPolarHBondContact O-CA 3.36Å; M995-I998 PolarHBondContact O-N 3.01Å; E996-I998 VanDerWaalsContact C-N 3.26Å; E996-I998 PolarHBondContact O-N 3.15Å; I998-N1001 PolarHBondContact O-N 3.35Å; I998-K1002 HydrophobicContact CG2-CD 4.41Å; I998-K1002 WeakPolarHBondContact O-CG 3.39Å; I998-K1002 PolarHBondContact O-N 2.89Å
999	E	58.3	Low	51.1	Low	122 Å²	122	113.3 Å²	113.3	57%	0.57	58%	0.575	S	S	*	*	H	α-helix	trans	-71.6	-39.1	179.1	-66	-162.8	127.4	0	0	112.8	M995 E996 N1001 K1002 E1003	M995-E999 PolarHBondContact O-N 3.17Å; E996-E999 PolarHBondContact O-N 3.38Å; E999-N1001 PolarHBondContact O-N 3.42Å; E999-K1002 PolarHBondContact O-N 3.04Å; E999-E1003 PolarHBondContact O-N 3.2Å
1000	T	60.4	Low	52.7	Low	89 Å²	89	110.4 Å²	110.4	55%	0.546	56%	0.556	S	S	.	*	H	α-helix	trans	-60.7	-42.1	171.9	48.5	0	0	0	0	111.9	E996 I997 E1003 L1004	E996-T1000 WeakPolarHBondContact O-CB 3.38Å; E996-T1000 VanDerWaalsContact O-CG2 3.32Å; E996-T1000 WeakPolarHBondContact O-CG2 3.49Å; E996-T1000 PolarHBondContact O-N 3.18Å; E996-T1000 PolarHBondContact O-OG1 2.75Å; I997-T1000 WeakPolarHBondContact CA-OG1 3.49Å; I997-T1000 PolarHBondContact O-OG1 3.28Å; T1000-E1003 PolarHBondContact O-N 3.35Å; T1000-L1004 WeakPolarHBondContact O-CB 3.37Å; T1000-L1004 PolarHBondContact O-N 3.06Å
1001	N	51.5	Low	53.9	Low	85 Å²	85	109.3 Å²	109.3	46%	0.455	55%	0.548	S	S	.	.	H	α-helix	trans	-67.7	-32.9	174.3	-85	-69.1	0	0	0	113.3	I997 I998 E999 N1005	I997-N1001 PolarHBondContact O-N 2.93Å; I997-N1001 PolarHBondContact O-ND2 3.17Å; I998-N1001 PolarHBondContact O-N 3.35Å; E999-N1001 PolarHBondContact O-N 3.42Å; N1001-N1005 PolarHBondContact O-N 3.18Å; N1001-N1005 PolarHBondContact O-ND2 2.87Å
1002	K	64.6	Low	54.8	Low	140 Å²	140	107.6 Å²	107.6	61%	0.609	53%	0.534	S	S	*	.	H	α-helix	trans	-65.4	-47.7	171.9	-78	174.1	179.1	176.3	0	111.4	I998 E999 N1005 K1006	I998-K1002 HydrophobicContact CG2-CD 4.41Å; I998-K1002 WeakPolarHBondContact O-CG 3.39Å; I998-K1002 PolarHBondContact O-N 2.89Å; E999-K1002 PolarHBondContact O-N 3.04Å; K1002-N1005 PolarHBondContact O-N 3.13Å; K1002-K1006 WeakPolarHBondContact O-CB 3.09Å; K1002-K1006 PolarHBondContact O-N 3.38Å
1003	E	65.6	Low	54.9	Low	77 Å²	77	106.2 Å²	106.2	36%	0.36	53%	0.53	S	S	.	.	H	α-helix	trans	-71.8	-29.1	-179.2	-167.2	55.6	-145.6	0	0	112.2	E999 T1000 K1006 N1007 K1010	E999-E1003 PolarHBondContact O-N 3.2Å; T1000-E1003 PolarHBondContact O-N 3.35Å; E1003-K1006 PolarHBondContact O-N 3.39Å; E1003-K1006 WeakPolarHBondContact OE2-CD 2.99Å; E1003-K1006 IonicContact OE2-NZ 2.7Å; E1003-N1007 WeakPolarHBondContact CG-ND2 3.22Å; E1003-N1007 PolarHBondContact O-N 2.84Å; E1003-N1007 PolarHBondContact O-ND2 3.33Å; E1003-N1007 PolarHBondContact OE1-ND2 2.92Å; E1003-K1010 IonicContact OE1-NZ 3.17Å
1004	L	60.2	Low	55.3	Low	125 Å²	125	104.7 Å²	104.7	65%	0.654	53%	0.525	S	S	*	.	H	α-helix	trans	-61.1	-49.4	170.7	-157.4	84.7	0	0	0	111.4	T1000 K1006 N1007 L1008	T1000-L1004 WeakPolarHBondContact O-CB 3.37Å; T1000-L1004 PolarHBondContact O-N 3.06Å; L1004-K1006 VanDerWaalsContact C-N 3.35Å; L1004-K1006 PolarHBondContact O-N 3.15Å; L1004-N1007 PolarHBondContact O-N 3.4Å; L1004-L1008 PolarHBondContact O-N 2.96Å
1005	N	54.6	Low	55	Low	90 Å²	90	108.1 Å²	108.1	48%	0.481	54%	0.536	S	S	.	.	H	α-helix	trans	-63.5	-39.5	175.5	-77.7	-58.2	0	0	0	112.2	N1001 K1002 N1007 L1008 E1009	N1001-N1005 PolarHBondContact O-N 3.18Å; N1001-N1005 PolarHBondContact O-ND2 2.87Å; K1002-N1005 PolarHBondContact O-N 3.13Å; N1005-N1007 VanDerWaalsContact C-N 3.27Å; N1005-N1007 PolarHBondContact O-N 3.45Å; N1005-L1008 WeakPolarHBondContact O-CB 3.26Å; N1005-L1008 PolarHBondContact O-N 3.49Å; N1005-E1009 PolarHBondContact O-N 3.31Å
1006	K	67.5	Low	54.7	Low	127 Å²	127	106.9 Å²	106.9	55%	0.552	54%	0.538	S	S	*	.	H	α-helix	trans	-62.8	-33.1	177.5	-153.4	-177.3	-162.4	173.9	0	112.6	K1002 E1003 L1004 K1010	K1002-K1006 WeakPolarHBondContact O-CB 3.09Å; K1002-K1006 PolarHBondContact O-N 3.38Å; E1003-K1006 PolarHBondContact O-N 3.39Å; E1003-K1006 WeakPolarHBondContact OE2-CD 2.99Å; E1003-K1006 IonicContact OE2-NZ 2.7Å; L1004-K1006 VanDerWaalsContact C-N 3.35Å; L1004-K1006 PolarHBondContact O-N 3.15Å; K1006-K1010 WeakPolarHBondContact O-CG 3.08Å; K1006-K1010 PolarHBondContact O-N 3.13Å
1007	N	62.8	Low	54.1	Low	64 Å²	64	106.4 Å²	106.4	34%	0.342	54%	0.54	S	S	.	.	H	α-helix	trans	-82.1	-31.4	174.3	-69.5	-61.6	0	0	0	112.5	E1003 L1004 N1005 K1010 T1011	E1003-N1007 WeakPolarHBondContact CG-ND2 3.22Å; E1003-N1007 PolarHBondContact O-N 2.84Å; E1003-N1007 PolarHBondContact O-ND2 3.33Å; E1003-N1007 PolarHBondContact OE1-ND2 2.92Å; L1004-N1007 PolarHBondContact O-N 3.4Å; N1005-N1007 VanDerWaalsContact C-N 3.27Å; N1005-N1007 PolarHBondContact O-N 3.45Å; N1007-K1010 PolarHBondContact O-N 2.75Å; N1007-K1010 WeakPolarHBondContact OD1-CD 3.4Å; N1007-K1010 PolarHBondContact OD1-NZ 3.33Å; N1007-T1011 PolarHBondContact O-N 2.89Å; N1007-T1011 PolarHBondContact O-OG1 3.24Å
1008	L	60.7	Low	53.6	Low	92 Å²	92	110.9 Å²	110.9	48%	0.482	56%	0.556	S	S	.	*	H	α-helix	trans	-59.3	-45.3	169.7	-175.7	62.5	0	0	0	111.8	L1004 N1005 T1011 K1012	L1004-L1008 PolarHBondContact O-N 2.96Å; N1005-L1008 WeakPolarHBondContact O-CB 3.26Å; N1005-L1008 PolarHBondContact O-N 3.49Å; L1008-T1011 WeakPolarHBondContact O-CB 3.38Å; L1008-T1011 PolarHBondContact O-N 3.27Å; L1008-T1011 VanDerWaalsContact O-N 3.15Å; L1008-K1012 PolarHBondContact O-N 3.34Å
1009	E	57.9	Low	52.9	Low	89 Å²	89	112.9 Å²	112.9	42%	0.416	57%	0.573	S	S	.	*	H	α-helix	trans	-67.9	-36.7	176.5	-68	-51.9	134.7	0	0	113.1	N1005 T1011 K1012 M1013	N1005-E1009 PolarHBondContact O-N 3.31Å; E1009-T1011 VanDerWaalsContact C-N 3.28Å; E1009-T1011 PolarHBondContact O-N 2.92Å; E1009-K1012 PolarHBondContact O-N 2.76Å; E1009-K1012 WeakPolarHBondContact OE1-CE 3.42Å; E1009-K1012 IonicContact OE1-NZ 3.81Å; E1009-K1012 PolarHBondContact OE1-NZ 2.81Å; E1009-K1012 WeakPolarHBondContact OE2-CD 3.47Å; E1009-K1012 IonicContact OE2-NZ 3.61Å; E1009-M1013 PolarHBondContact O-N 3.45Å
1010	K	65.6	Low	51.5	Low	102 Å²	102	110.2 Å²	110.2	44%	0.443	58%	0.578	S	S	.	*	H	α-helix	trans	-58.3	-41.6	168.3	-73	174	-159.1	158	0	111.3	E1003 K1006 N1007 K1012 M1013 I1014	E1003-K1010 IonicContact OE1-NZ 3.17Å; K1006-K1010 WeakPolarHBondContact O-CG 3.08Å; K1006-K1010 PolarHBondContact O-N 3.13Å; N1007-K1010 PolarHBondContact O-N 2.75Å; N1007-K1010 WeakPolarHBondContact OD1-CD 3.4Å; N1007-K1010 PolarHBondContact OD1-NZ 3.33Å; K1010-K1012 VanDerWaalsContact C-N 3.35Å; K1010-K1012 PolarHBondContact O-N 3.26Å; K1010-M1013 PolarHBondContact O-N 2.92Å; K1010-I1014 WeakPolarHBondContact O-CD1 3.22Å; K1010-I1014 VanDerWaalsContact O-CG1 3.26Å; K1010-I1014 WeakPolarHBondContact O-CG1 3.33Å; K1010-I1014 PolarHBondContact O-N 3.28Å; K1010-I1014 VanDerWaalsContact O-N 3.08Å
1011	T	58.3	Low	50.1	Low	88 Å²	88	112.1 Å²	112.1	54%	0.54	59%	0.594	S	S	.	*	H	α-helix	trans	-65.1	-37	178.1	-52.1	0	0	0	0	112	N1007 L1008 E1009 M1015	N1007-T1011 PolarHBondContact O-N 2.89Å; N1007-T1011 PolarHBondContact O-OG1 3.24Å; L1008-T1011 WeakPolarHBondContact O-CB 3.38Å; L1008-T1011 PolarHBondContact O-N 3.27Å; L1008-T1011 VanDerWaalsContact O-N 3.15Å; E1009-T1011 VanDerWaalsContact C-N 3.28Å; E1009-T1011 PolarHBondContact O-N 2.92Å; T1011-M1015 WeakPolarHBondContact O-CG 3.31Å; T1011-M1015 PolarHBondContact O-N 3.45Å
1012	K	50.2	Low	49.1	Very low	106 Å²	106	114.8 Å²	114.8	46%	0.461	61%	0.608	S	S	.	*	H	α-helix	trans	-65	-48.7	171	-65.5	-175.7	-166.3	163.8	0	112.2	L1008 E1009 K1010 I1014 M1015 S1016	L1008-K1012 PolarHBondContact O-N 3.34Å; E1009-K1012 PolarHBondContact O-N 2.76Å; E1009-K1012 WeakPolarHBondContact OE1-CE 3.42Å; E1009-K1012 IonicContact OE1-NZ 3.81Å; E1009-K1012 PolarHBondContact OE1-NZ 2.81Å; E1009-K1012 WeakPolarHBondContact OE2-CD 3.47Å; E1009-K1012 IonicContact OE2-NZ 3.61Å; K1010-K1012 VanDerWaalsContact C-N 3.35Å; K1010-K1012 PolarHBondContact O-N 3.26Å; K1012-I1014 PolarHBondContact O-N 3.01Å; K1012-I1014 VanDerWaalsContact O-N 3.16Å; K1012-M1015 WeakPolarHBondContact O-CB 3.45Å; K1012-M1015 PolarHBondContact O-N 3.22Å; K1012-S1016 PolarHBondContact O-N 3.4Å; K1012-S1016 PolarHBondContact O-OG 2.95Å
1013	M	43.7	Very low	47.4	Very low	136 Å²	136	114.9 Å²	114.9	67%	0.67	62%	0.615	S	S	*	*	H	α-helix	trans	-60	-27.3	179.4	-81.5	-164.8	147.7	0	0	114.1	E1009 K1010 N1017	E1009-M1013 PolarHBondContact O-N 3.45Å; K1010-M1013 PolarHBondContact O-N 2.92Å; M1013-N1017 PolarHBondContact O-ND2 3.33Å
1014	I	47.2	Very low	45.9	Very low	137 Å²	137	119.7 Å²	119.7	70%	0.703	64%	0.642	S	S	*	*	H	α-helix	trans	-74.4	-25.8	174.7	-70.9	165	0	0	0	112.1	K1010 K1012	K1010-I1014 WeakPolarHBondContact O-CD1 3.22Å; K1010-I1014 VanDerWaalsContact O-CG1 3.26Å; K1010-I1014 WeakPolarHBondContact O-CG1 3.33Å; K1010-I1014 PolarHBondContact O-N 3.28Å; K1010-I1014 VanDerWaalsContact O-N 3.08Å; K1012-I1014 PolarHBondContact O-N 3.01Å; K1012-I1014 VanDerWaalsContact O-N 3.16Å
1015	M	37.8	Very low	44.3	Very low	138 Å²	138	122 Å²	122	68%	0.68	65%	0.649	S	S	*	*	H	α-helix	trans	-79.9	-31.5	176.8	-66.6	-88.2	-77.8	0	0	112.6	T1011 K1012	T1011-M1015 WeakPolarHBondContact O-CG 3.31Å; T1011-M1015 PolarHBondContact O-N 3.45Å; K1012-M1015 WeakPolarHBondContact O-CB 3.45Å; K1012-M1015 PolarHBondContact O-N 3.22Å
1016	S	39	Very low	43.2	Very low	89 Å²	89	122.6 Å²	122.6	62%	0.622	66%	0.66	S	S	*	*	S	Bend	trans	-87.3	0.7	-173.5	-53	0	0	0	0	115.4	K1012	K1012-S1016 PolarHBondContact O-N 3.4Å; K1012-S1016 PolarHBondContact O-OG 2.95Å
1017	N	35	Very low	41.4	Very low	130 Å²	130	121 Å²	121	70%	0.695	67%	0.671	S	S	*	*			trans	-114.7	81.5	-175.9	-82.3	-67.6	0	0	0	112.9	M1013	M1013-N1017 PolarHBondContact O-ND2 3.33Å
1018	K	36.2	Very low	40	Very low	203 Å²	203	125.5 Å²	125.5	88%	0.883	69%	0.694	S	S	*	*			trans	-142.6	89.6	162.4	-134.8	179.2	-174.1	-175.4	0	112.3
1019	T	34.8	Very low	38.3	Very low	142 Å²	142	128.8 Å²	128.8	87%	0.871	71%	0.712	S	S	*	*			trans	-59.9	157.4	158.2	48.1	0	0	0	0	110.1
1020	G	28.9	Very low	37.1	Very low	66 Å²	66	132.3 Å²	132.3	68%	0.68	73%	0.733	S	S	*	*			cis	147.9	111.7	-0.4	0	0	0	0	0	109
1021	C	29.4	Very low	35.2	Very low	129 Å²	129	132.1 Å²	132.1	87%	0.872	74%	0.744	S	S	*	*			trans	-133.6	131.8	179.4	-68.4	0	0	0	0	109.5
1022	N	30.9	Very low	33.6	Very low	141 Å²	141	133.4 Å²	133.4	75%	0.754	76%	0.757	S	S	*	*			trans	-95.5	173.2	177.6	-61.9	-5.3	0	0	0	111.4
1023	D	29.8	Very low	32.7	Very low	142 Å²	142	132.5 Å²	132.5	76%	0.759	77%	0.769	S	S	*	*			trans	60.3	102.1	152.2	-48.2	-35.4	0	0	0	118.2
1024	I	34.4	Very low	31.9	Very low	178 Å²	178	131.2 Å²	131.2	91%	0.913	77%	0.774	S	S	*	*				-151.2	144.7	114.7	-99.2	151.5	0	0	0	108.9
1025	E	26.4	Very low	31	Very low	174 Å²	174	129.8 Å²	129.8	81%	0.813	78%	0.775	S	S	*	*			trans	-92.8	172.9	-167.5	-161.1	178.3	-147.8	0	0	112.7
1026	S	30.1	Very low	30.6	Very low	102 Å²	102	129.2 Å²	129.2	71%	0.713	77%	0.774	S	S	*	*			trans	83.1	114.8	155.4	-66	0	0	0	0	121
1027	A	31.6	Very low	30.2	Very low	94 Å²	94	133.7 Å²	133.7	78%	0.777	78%	0.783	S	S	*	*				99.5	150.2	130	0	0	0	0	0	121.1
1028	L	33	Very low	30.1	Very low	158 Å²	158	138 Å²	138	83%	0.827	80%	0.795	S	S	*	*			trans	75.2	77.7	169.3	-53.7	-177	0	0	0	117.6
1029	D	25.1	Very low	29.8	Very low	161 Å²	161	133.2 Å²	133.2	86%	0.861	79%	0.787	S	S	*	*			trans	-41.4	130.1	134.4	-123.4	-33.1	0	0	0	110.9
1030	L	32.7	Very low	29.5	Very low	162 Å²	162	134.4 Å²	134.4	85%	0.848	79%	0.787	S	S	*	*			trans	-158.5	129.1	157.3	-113.9	172.7	0	0	0	110
1031	S	24.6	Very low	29.5	Very low	98 Å²	98	138.1 Å²	138.1	69%	0.685	79%	0.791	S	S	*	*			trans	-107.6	165.6	-173.9	59.6	0	0	0	0	112.6
1032	S	25.8	Very low	29.5	Very low	116 Å²	116	138.2 Å²	138.2	81%	0.811	79%	0.792	S	S	*	*			trans	82.7	157.2	163.6	84.4	0	0	0	0	119.9
1033	A	29.7	Very low	29.4	Very low	87 Å²	87	139 Å²	139	72%	0.719	80%	0.796	S	S	*	*			trans	73.5	94.2	154.5	0	0	0	0	0	121.8
1034	S	28.1	Very low	29.5	Very low	109 Å²	109	138 Å²	138	76%	0.762	80%	0.795	S	S	*	*				82.5	147.7	114.9	-156.2	0	0	0	0	121.9
1035	C	27.2	Very low	29.4	Very low	107 Å²	107	139.6 Å²	139.6	72%	0.723	80%	0.796	S	S	*	*			trans	67.3	146	159.1	-81.3	0	0	0	0	119.6
1036	N	29.3	Very low	29.5	Very low	126 Å²	126	140.2 Å²	140.2	67%	0.674	80%	0.798	S	S	*	*			cis	-161.4	147.8	-23.1	-139.6	-27.6	0	0	0	111.5
1037	K	32.4	Very low	29.5	Very low	183 Å²	183	146.6 Å²	146.6	80%	0.796	81%	0.806	S	S	*	*			trans	16.5	133.6	158	-68.5	165.7	-177	-177.1	0	121
1038	K	32.6	Very low	29.4	Very low	219 Å²	219	146.8 Å²	146.8	95%	0.952	80%	0.8	S	S	*	*				-153.4	153.5	111.1	-107.8	161	-172.8	175.8	0	111.3
1039	S	28.5	Very low	29.3	Very low	103 Å²	103	146.3 Å²	146.3	72%	0.72	80%	0.797	S	S	*	*			trans	-120.2	142.2	-164.5	49.1	0	0	0	0	112.5
1040	I	30.3	Very low	29.5	Very low	167 Å²	167	145.9 Å²	145.9	86%	0.856	79%	0.79	S	S	*	*			trans	-142.1	127.3	161.6	-59.4	-178	0	0	0	106.9
1041	D	27.2	Very low	29.5	Very low	145 Å²	145	148.4 Å²	148.4	78%	0.775	79%	0.789	S	S	*	*			trans	-87.5	154.6	177.7	-56.7	-66.4	0	0	0	111.9
1042	C	31.1	Very low	29.7	Very low	131 Å²	131	150.5 Å²	150.5	89%	0.885	79%	0.793	S	S	*	*			trans	-153	106	158.8	-93.2	0	0	0	0	109.9
1043	D	27.2	Very low	29.9	Very low	158 Å²	158	155.9 Å²	155.9	85%	0.845	80%	0.797	S	S	*	*			trans	-67.7	174.4	164.6	-93	-55.6	0	0	0	112.3
1044	T	31.8	Very low	30	Very low	120 Å²	120	161.4 Å²	161.4	74%	0.736	81%	0.805	S	S	*	*			trans	94.4	87.7	169.6	-41.2	0	0	0	0	115.9
1045	F	33.1	Very low	30.1	Very low	211 Å²	211	163.9 Å²	163.9	93%	0.925	81%	0.809	S	S	*	*				-162.2	85.6	127.7	-102.1	-63.3	0	0	0	111.3
1046	H	29.4	Very low	30	Very low	187 Å²	187	166.3 Å²	166.3	87%	0.866	81%	0.814	S	S	*	*			trans	-87.4	124.6	171.3	-104.3	-73.6	0	0	0	111.3
1047	R	28.9	Very low	30	Very low	236 Å²	236	167.1 Å²	167.1	89%	0.891	82%	0.824	S	S	*	*				-168	142.6	128.9	-106.7	171.5	-174.2	-98.8	-1.1	110.5
1048	P	30.5	Very low	29.8	Very low	98 Å²	98	163.4 Å²	163.4	64%	0.636	82%	0.821	S	S	*	*			trans	-85.1	165	-175.3	35.6	-35.7	0	0	0	112.6
1049	I	30.8	Very low	29.8	Very low	148 Å²	148	161.8 Å²	161.8	76%	0.759	82%	0.817	S	S	*	*			trans	-107.6	114	162.1	-62.1	176.8	0	0	0	107.1	Y1051	I1049-Y1051 HydrophobicContact CG2-CD2 4.22Å; I1049-Y1051 HydrophobicContact CG2-CE2 3.91Å
1050	E	28.8	Very low	30	Very low	153 Å²	153	165.2 Å²	165.2	72%	0.715	83%	0.825	S	S	*	*			trans	-78	146.7	177.8	-68.7	153.3	154.6	0	0	110.8
1051	Y	31.5	Very low	30	Very low	215 Å²	215	163.3 Å²	163.3	84%	0.843	82%	0.817	S	S	*	*			trans	-134.6	77.6	171	-92.4	-81.1	0	0	0	109.1	I1049	I1049-Y1051 HydrophobicContact CG2-CD2 4.22Å; I1049-Y1051 HydrophobicContact CG2-CE2 3.91Å
1052	D	29.2	Very low	30.2	Very low	141 Å²	141	166 Å²	166	75%	0.754	83%	0.825	S	S	*	*			trans	-67.4	131.2	179.5	-81.2	-34.5	0	0	0	112.7	K1054	D1052-K1054 PolarHBondContact O-N 2.79Å
1053	Y	30.8	Very low	30.4	Very low	230 Å²	230	167.4 Å²	167.4	90%	0.902	82%	0.818	S	S	*	*			trans	-74.6	99.6	157.7	-99.7	-104.8	0	0	0	108.6	L1055	Y1053-L1055 PolarHBondContact O-N 3.38Å; Y1053-L1055 VanDerWaalsContact O-N 3.13Å
1054	K	31.1	Very low	30.7	Very low	202 Å²	202	167.5 Å²	167.5	88%	0.878	82%	0.819	S	S	*	*			trans	-60.9	114.9	176.6	-73.2	-172.2	174.7	-174.8	0	111.5	D1052	D1052-K1054 PolarHBondContact O-N 2.79Å
1055	L	29.7	Very low	30.9	Very low	162 Å²	162	170.2 Å²	170.2	85%	0.848	83%	0.828	S	S	*	*			trans	-126.3	146.4	156.4	-97.9	164.9	0	0	0	108.7	Y1053	Y1053-L1055 PolarHBondContact O-N 3.38Å; Y1053-L1055 VanDerWaalsContact O-N 3.13Å
1056	N	25.9	Very low	30.8	Very low	157 Å²	157	169.1 Å²	169.1	84%	0.84	83%	0.826	S	S	*	*			trans	-68.3	131.4	-156.8	-58.7	-30.4	0	0	0	115
1057	T	29.8	Very low	31	Very low	143 Å²	143	167.8 Å²	167.8	88%	0.877	82%	0.823	S	S	*	*			trans	-148.6	118.8	137.7	20.2	0	0	0	0	109.7
1058	S	27.8	Very low	31.1	Very low	105 Å²	105	164.1 Å²	164.1	73%	0.734	82%	0.82	S	S	*	*			trans	-88.6	176.3	164.1	46.8	0	0	0	0	110.4
1059	E	32.2	Very low	31.2	Very low	185 Å²	185	170.6 Å²	170.6	86%	0.864	83%	0.832	S	S	*	*			trans	75.7	66.5	168.2	-49.9	-169.5	142	0	0	118.1
1060	I	32.4	Very low	31.1	Very low	176 Å²	176	171.4 Å²	171.4	90%	0.903	84%	0.837	S	S	*	*			trans	-127.1	100.3	143.9	-60	-175.2	0	0	0	110.2
1061	N	31.6	Very low	31.5	Very low	126 Å²	126	173.7 Å²	173.7	67%	0.674	85%	0.848	S	S	*	*			trans	4.4	121.4	169.7	-76.9	-33	0	0	0	121.6	Q1063	N1061-Q1063 PolarHBondContact O-N 2.9Å
1062	E	30.8	Very low	31.7	Very low	203 Å²	203	172.7 Å²	172.7	95%	0.949	85%	0.848	S	S	*	*			trans	-72.5	90	153.9	-62.9	-176.3	117.6	0	0	111.7
1063	Q	35.5	Very low	31.8	Very low	159 Å²	159	171.4 Å²	171.4	74%	0.743	85%	0.85	S	S	*	*			trans	-136.7	-0.2	170.5	-76.4	-161.1	-20	0	0	116.7	N1061	N1061-Q1063 PolarHBondContact O-N 2.9Å
1064	N	33.5	Very low	32	Very low	161 Å²	161	168.8 Å²	168.8	86%	0.861	85%	0.85	S	S	*	*	S	Bend	trans	-117.8	22.7	-171.4	-87.2	-49.3	0	0	0	116.4
1065	L	34.6	Very low	32	Very low	177 Å²	177	162.1 Å²	162.1	93%	0.927	84%	0.838	S	S	*	*	S	Bend	trans	-131.4	39.1	175.2	-85.2	175.7	0	0	0	114.9
1066	Q	32.4	Very low	32.3	Very low	187 Å²	187	164.2 Å²	164.2	87%	0.874	84%	0.841	S	S	*	*			trans	-135.3	87.4	158.4	-74.4	-158.8	29	0	0	111.9
1067	I	32.4	Very low	32.8	Very low	159 Å²	159	162 Å²	162	82%	0.815	84%	0.838	S	S	*	*	S	Bend	trans	-165.8	148	160	-101.8	148.3	0	0	0	107.1
1068	I	32.6	Very low	32.9	Very low	159 Å²	159	162.7 Å²	162.7	82%	0.815	83%	0.831	S	S	*	*	S	Bend	trans	62.4	68.2	-175.6	-47.9	155.6	0	0	0	114.8
1069	R	30.7	Very low	33.1	Very low	235 Å²	235	163.4 Å²	163.4	89%	0.887	83%	0.826	S	S	*	*	S	Bend	trans	-162.3	87	133.9	-91.9	-158	-168	88.9	0.5	109.6
1070	N	30.7	Very low	33.1	Very low	164 Å²	164	161 Å²	161	88%	0.877	82%	0.817	S	S	*	*			trans	168.2	80.7	146.8	-88.8	-22.4	0	0	0	111.1
1071	E	35.9	Very low	33.1	Very low	201 Å²	201	161 Å²	161	94%	0.939	81%	0.813	S	S	*	*			trans	-123.7	126.2	150.2	-72	-163	150.1	0	0	108.5
1072	K	35.3	Very low	33.1	Very low	194 Å²	194	159.2 Å²	159.2	84%	0.843	81%	0.811	S	S	*	*			trans	-133.3	145.8	-179.9	-107.9	-174.8	177.9	178.4	0	107.9
1073	S	31.4	Very low	33.4	Very low	114 Å²	114	157.8 Å²	157.8	80%	0.797	80%	0.804	S	S	*	*			trans	74.8	167.2	171	83.9	0	0	0	0	116.7
1074	I	35.8	Very low	33.2	Very low	175 Å²	175	155.9 Å²	155.9	90%	0.897	80%	0.803	S	S	*	*			trans	69.9	126	-165.6	-45.3	173.3	0	0	0	112.9
1075	G	31.7	Very low	33	Very low	62 Å²	62	154 Å²	154	64%	0.639	80%	0.798	S	S	*	*			cis	171.4	82.3	-9.7	0	0	0	0	0	117.9
1076	K	36.2	Very low	32.9	Very low	207 Å²	207	154.4 Å²	154.4	90%	0.9	79%	0.792	S	S	*	*			trans	67.8	162.5	156.9	-62.6	179.6	176.1	177	0	120.1
1077	S	34.6	Very low	32.7	Very low	111 Å²	111	150.2 Å²	150.2	78%	0.776	78%	0.783	S	S	*	*			trans	76.9	144.1	165.6	79.8	0	0	0	0	117
1078	H	33	Very low	32.8	Very low	157 Å²	157	147.9 Å²	147.9	73%	0.727	78%	0.781	S	S	*	*			cis	-153.1	142	-5.6	-141.7	-123.1	0	0	0	112.5
1079	L	32.3	Very low	32.7	Very low	120 Å²	120	147.1 Å²	147.1	63%	0.628	78%	0.777	S	S	*	*			trans	33.7	127.2	146.9	-88.2	64.9	0	0	0	122.3
1080	I	31.2	Very low	32.7	Very low	135 Å²	135	143.5 Å²	143.5	69%	0.692	77%	0.774	S	S	*	*				73.9	131.8	96.8	-69	-177	0	0	0	112.6
1081	E	33.3	Very low	33	Very low	175 Å²	175	141 Å²	141	82%	0.818	77%	0.766	S	S	*	*			cis	-155.6	164	48	-153.9	138.4	-133.6	0	0	117.8
1082	S	32.2	Very low	32.8	Very low	89 Å²	89	136.6 Å²	136.6	62%	0.622	76%	0.758	S	S	*	*			trans	-19.6	130.3	169.5	-55.6	0	0	0	0	125.2
1083	Q	35.9	Very low	32.7	Very low	172 Å²	172	133 Å²	133	80%	0.804	76%	0.757	S	S	*	*				77.5	142.4	119.5	-66.2	-173	21.6	0	0	125.2
1084	T	30.9	Very low	32.7	Very low	119 Å²	119	133 Å²	133	73%	0.73	76%	0.757	S	S	*	*			trans	83.4	112.7	145.9	45.3	0	0	0	0	124.2
1085	V	29.8	Very low	32.7	Very low	122 Å²	122	129.8 Å²	129.8	74%	0.739	75%	0.748	S	S	*	*				89.1	111.7	124.3	172.3	0	0	0	0	121.7
1086	K	32.3	Very low	32.8	Very low	185 Å²	185	132 Å²	132	80%	0.804	75%	0.754	S	S	*	*			trans	63.8	113.4	144.2	-74.9	179.3	-179.4	178.5	0	122.7
1087	S	29.4	Very low	32.7	Very low	99 Å²	99	126.9 Å²	126.9	69%	0.692	74%	0.744	S	S	*	*				79.5	139.9	119.5	-58.8	0	0	0	0	121.4
1088	S	33.7	Very low	32.7	Very low	110 Å²	110	126.7 Å²	126.7	77%	0.769	74%	0.742	S	S	*	*			trans	72.1	151.9	154.3	-62	0	0	0	0	118
1089	I	31.2	Very low	32.8	Very low	143 Å²	143	124 Å²	124	73%	0.733	74%	0.741	S	S	*	*			cis	-176	160.2	-32.8	-116.1	162.3	0	0	0	106.7
1090	I	31	Very low	32.9	Very low	160 Å²	160	123.8 Å²	123.8	82%	0.821	75%	0.75	S	S	*	*			trans	79.3	151.5	165	-91.7	159.8	0	0	0	118.5
1091	P	35.7	Very low	33	Very low	110 Å²	110	121.8 Å²	121.8	71%	0.714	75%	0.748	S	S	*	*			trans	-131.5	-167.5	-153.4	44.6	-28	0	0	0	115
1092	S	31.1	Very low	33	Very low	109 Å²	109	119.1 Å²	119.1	76%	0.762	74%	0.743	S	S	*	*			trans	175.8	164.6	136.9	45.5	0	0	0	0	116.2
1093	S	35.1	Very low	32.9	Very low	118 Å²	118	121.6 Å²	121.6	83%	0.825	75%	0.749	S	S	*	*			trans	92.2	153.5	152.3	76.3	0	0	0	0	121.6
1094	S	30.3	Very low	32.6	Very low	115 Å²	115	119.1 Å²	119.1	80%	0.804	74%	0.74	S	S	*	*			trans	-128	-154.3	-164.9	-37.7	0	0	0	0	109
1095	P	36.3	Very low	32.6	Very low	108 Å²	108	120.7 Å²	120.7	70%	0.701	74%	0.744	S	S	*	*			cis	-140.5	-163.4	-1.2	40.2	-17.9	0	0	0	115.9
1096	S	34	Very low	32.7	Very low	109 Å²	109	120.4 Å²	120.4	76%	0.762	74%	0.738	S	S	*	*			trans	69.7	147.4	155.7	39.5	0	0	0	0	119.9
1097	S	34.3	Very low	32.5	Very low	99 Å²	99	117.9 Å²	117.9	69%	0.692	73%	0.734	S	S	*	*			cis	-164	161.5	-7.5	47.4	0	0	0	0	112.7
1098	S	34.5	Very low	32.8	Very low	107 Å²	107	120.7 Å²	120.7	75%	0.748	74%	0.74	S	S	*	*			trans	61	141.5	152.3	51.3	0	0	0	0	120.5
1099	S	34.6	Very low	32.7	Very low	101 Å²	101	121.1 Å²	121.1	71%	0.706	73%	0.734	S	S	*	*			cis	-175.3	147.2	-10.9	46.1	0	0	0	0	111.9
1100	S	34.6	Very low	32.6	Very low	115 Å²	115	120 Å²	120	80%	0.804	73%	0.729	S	S	*	*			trans	66.2	145.6	155.4	-59.5	0	0	0	0	118.6
1101	S	33.3	Very low	32.6	Very low	93 Å²	93	118.7 Å²	118.7	65%	0.65	72%	0.724	S	S	*	*			cis	-157.1	125.9	-1.3	-120.6	0	0	0	0	110.1
1102	T	31.9	Very low	32.4	Very low	118 Å²	118	120.3 Å²	120.3	72%	0.724	73%	0.727	S	S	*	*				56.9	134.4	106.2	61	0	0	0	0	116.4
1103	L	30.6	Very low	32.5	Very low	141 Å²	141	122.8 Å²	122.8	74%	0.738	73%	0.726	S	S	*	*			cis	-163.4	148	-1.6	-95.2	161.8	0	0	0	104.3
1104	I	30.3	Very low	32.3	Very low	120 Å²	120	123.2 Å²	123.2	62%	0.615	72%	0.719	S	S	*	*			cis	64.7	106.2	38.9	-53.3	-179.5	0	0	0	114.7	N1106	I1104-N1106 HydrophobicContact CG2-CB 4.11Å
1105	D	31.3	Very low	32.3	Very low	152 Å²	152	125 Å²	125	81%	0.813	72%	0.719	S	S	*	*			trans	180	108.4	136.3	-88.7	-19.8	0	0	0	107.8
1106	N	30.8	Very low	32.2	Very low	117 Å²	117	127.1 Å²	127.1	63%	0.626	73%	0.725	S	S	*	*			cis	93.1	93	13.8	-133.3	10.9	0	0	0	115.6	I1104	I1104-N1106 HydrophobicContact CG2-CB 4.11Å
1107	N	29.6	Very low	32.2	Very low	132 Å²	132	131.5 Å²	131.5	71%	0.706	73%	0.73	S	S	*	*			trans	69	152.3	164.8	-48.5	-70.1	0	0	0	116
1108	L	34.3	Very low	32.6	Very low	157 Å²	157	133.7 Å²	133.7	82%	0.822	73%	0.734	S	S	*	*			cis	-155.8	172.4	38	-73.2	159.2	0	0	0	109.7
1109	N	31.2	Very low	33.3	Very low	119 Å²	119	134 Å²	134	64%	0.636	74%	0.736	S	S	*	*			cis	180	157.8	-29.8	-170.8	9.1	0	0	0	108.2
1110	N	29.4	Very low	34.1	Very low	119 Å²	119	134.9 Å²	134.9	64%	0.636	74%	0.742	S	S	*	*			trans	73.4	137.2	157.7	-76.1	-30.6	0	0	0	123
1111	N	31	Very low	35.4	Very low	133 Å²	133	133.4 Å²	133.4	71%	0.711	73%	0.725	S	S	*	*			trans	66.2	110.2	152.5	-51.8	-20.6	0	0	0	117.3
1112	N	32.9	Very low	36.8	Very low	145 Å²	145	133.7 Å²	133.7	78%	0.775	72%	0.715	S	S	*	*			cis	-159	150.5	41.4	-95	-48.8	0	0	0	114.8
1113	H	32.6	Very low	38.8	Very low	160 Å²	160	132.2 Å²	132.2	74%	0.741	71%	0.71	S	S	*	*			trans	25.9	112.2	145.7	-95.4	-82	0	0	0	122.1
1114	N	30.6	Very low	41	Very low	128 Å²	128	127.9 Å²	127.9	68%	0.684	69%	0.686	S	S	*	*				128	145	129.3	-63.9	-26.4	0	0	0	116.4
1115	N	31.1	Very low	43.5	Very low	151 Å²	151	126.3 Å²	126.3	81%	0.807	68%	0.676	S	S	*	*			trans	77.6	164.6	169.7	-52.6	-29.9	0	0	0	118.1
1116	N	33.9	Very low	45.6	Very low	153 Å²	153	119.1 Å²	119.1	82%	0.818	64%	0.637	S	S	*	*			trans	65.7	106.9	-179.4	-61.6	1	0	0	0	116.7
1117	K	33.2	Very low	47.7	Very low	202 Å²	202	124.5 Å²	124.5	88%	0.878	65%	0.649	S	S	*	*			trans	-134.6	54.7	176.5	-138.7	-165.8	-177	-154.1	0	110.4
1118	D	43.3	Very low	49.6	Very low	145 Å²	145	122.7 Å²	122.7	78%	0.775	64%	0.635	S	S	*	*			trans	-135	18.2	-169.4	-73.3	-72.5	0	0	0	114.1
1119	S	48.8	Very low	51.4	Low	112 Å²	112	116.3 Å²	116.3	78%	0.783	60%	0.603	S	S	*	*			trans	-116	6	-164	56	0	0	0	0	117
1120	S	51.8	Low	53.4	Low	120 Å²	120	117.4 Å²	117.4	84%	0.839	60%	0.604	S	S	*	*	S	Bend	trans	-120.5	17.7	-164.5	66.2	0	0	0	0	116.5
1121	D	61.8	Low	55.5	Low	84 Å²	84	113.8 Å²	113.8	45%	0.449	58%	0.584	S	S	.	*			trans	-133.9	41.7	-171.7	-151.1	-27.5	0	0	0	112.4	R1134	D1121-R1134 WeakPolarHBondContact O-CB 3.38Å; D1121-R1134 WeakPolarHBondContact O-CD 3.43Å; D1121-R1134 WeakPolarHBondContact O-CG 3.47Å; D1121-R1134 WeakPolarHBondContact OD1-CD 3.43Å; D1121-R1134 WeakPolarHBondContact OD1-CG 3.37Å; D1121-R1134 IonicContact OD1-CZ 2.66Å; D1121-R1134 IonicContact OD1-NE 2.83Å; D1121-R1134 PolarHBondContact OD1-NE 3.44Å; D1121-R1134 IonicContact OD1-NH2 3.46Å; D1121-R1134 IonicContact OD2-CZ 3.22Å; D1121-R1134 IonicContact OD2-NE 2.71Å; D1121-R1134 PolarHBondContact OD2-NE 3.37Å; D1121-R1134 IonicContact OD2-NH2 3.24Å; D1121-R1134 PolarHBondContact OD2-NH2 3.11Å
1122	F	61.6	Low	57.8	Low	100 Å²	100	113.3 Å²	113.3	44%	0.439	57%	0.572	S	S	.	*			trans	-138.3	87.4	176.8	-70.5	-82.7	0	0	0	109.8	R1132 R1134	F1122-R1132 HydrophobicContact CB-CB 4.09Å; F1122-R1132 HydrophobicContact CD1-CB 3.56Å; F1122-R1132 HydrophobicContact CE1-CB 4.12Å; F1122-R1132 HydrophobicContact CG-CB 3.91Å; F1122-R1134 HydrophobicContact CD1-CB 4.33Å; F1122-R1134 HydrophobicContact CE1-CB 4.49Å
1123	S	74.6	Confident	60	Low	87 Å²	87	107.6 Å²	107.6	61%	0.608	54%	0.541	S	S	*	.			trans	-82.9	-9.3	-173.9	57.7	0	0	0	0	115	F1133	S1123-F1133 PolarHBondContact N-O 3Å
1124	H	77.7	Confident	61.9	Low	50 Å²	50	105.4 Å²	105.4	23%	0.231	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	136.5	-179.8	-51.8	-69.1	0	0	0	110.6	F1133 R1136 Y1139	H1124-F1133 HydrophobicContact CB-CB 4.31Å; H1124-F1133 PolarHBondContact N-O 3.4Å; H1124-F1133 PolarHBondContact O-N 2.93Å; H1124-R1136 VanDerWaalsContact CD2-CA 3.48Å; H1124-R1136 WeakPolarHBondContact CD2-CA 3.46Å; H1124-R1136 WeakPolarHBondContact NE2-CB 3.12Å; H1124-Y1139 HydrophobicContact CB-CD1 4.03Å; H1124-Y1139 HydrophobicContact CB-CD2 3.73Å; H1124-Y1139 HydrophobicContact CB-CE2 4.31Å; H1124-Y1139 HydrophobicContact CB-CG 3.54Å
1125	E	81.2	Confident	64.1	Low	87 Å²	87	104.7 Å²	104.7	41%	0.407	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	129.8	-172.4	178.2	171	-167.8	0	0	109.7	R1127 R1132 Y1139	E1125-R1127 PolarHBondContact O-N 3.43Å; E1125-R1132 VanDerWaalsContact CD-CZ 3.47Å; E1125-R1132 IonicContact OE1-CZ 3.77Å; E1125-R1132 IonicContact OE1-NH1 3.61Å; E1125-R1132 PolarHBondContact OE1-NH1 2.92Å; E1125-R1132 IonicContact OE1-NH2 2.69Å; E1125-R1132 IonicContact OE2-CZ 2.75Å; E1125-R1132 VanDerWaalsContact OE2-CZ 3.24Å; E1125-R1132 IonicContact OE2-NH1 3.52Å; E1125-R1132 PolarHBondContact OE2-NH1 3.47Å; E1125-R1132 IonicContact OE2-NH2 3.82Å; E1125-R1132 PolarHBondContact OE2-NH2 3.44Å; E1125-Y1139 WeakPolarHBondContact O-CE2 3.29Å
1126	C	77.1	Confident	66.4	Low	1 Å²	1	104.9 Å²	104.9	1%	0.007	51%	0.508	C	S	.	.			trans	-79.4	109.9	172.5	-177.3	0	0	0	0	109.7	F1128 C1129 E1130 I1131 F1133 H1142 M1143 H1146	C1126-F1128 PolarHBondContact O-N 3.1Å; C1126-F1128 VanDerWaalsContact O-N 3.11Å; C1126-C1129 HydrophobicContact CB-CB 4.27Å; C1126-C1129 PolarHBondContact SG-N 2.97Å; C1126-C1129 VanDerWaalsContact SG-SG 3.67Å; C1126-E1130 WeakPolarHBondContact O-CA 3.45Å; C1126-E1130 PolarHBondContact O-N 2.92Å; C1126-I1131 PolarHBondContact N-O 2.86Å; C1126-F1133 HydrophobicContact CB-CE2 4.31Å; C1126-H1142 VanDerWaalsContact CB-NE2 3.34Å; C1126-H1142 WeakPolarHBondContact CB-NE2 3.5Å; C1126-H1142 PolarHBondContact SG-NE2 2.92Å; C1126-M1143 HydrophobicContact CB-CE 4.14Å; C1126-H1146 PolarHBondContact SG-CE1 3.1Å
1127	R	73.2	Confident	68.5	Low	230 Å²	230	101.6 Å²	101.6	87%	0.868	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-4.5	178.5	-176.1	168.9	162.6	131.9	-1.8	114.4	E1125	E1125-R1127 PolarHBondContact O-N 3.43Å
1128	F	70.2	Confident	70.6	Confident	94 Å²	94	96 Å²	96	41%	0.412	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112	-33.9	-179.7	-55.9	-73	0	0	0	113.8	C1126 H1148 P1151	C1126-F1128 PolarHBondContact O-N 3.1Å; C1126-F1128 VanDerWaalsContact O-N 3.11Å; F1128-H1148 WeakPolarHBondContact CZ-O 3.05Å; F1128-P1151 HydrophobicContact CB-CB 3.48Å; F1128-P1151 VanDerWaalsContact CB-CB 3.48Å; F1128-P1151 HydrophobicContact CB-CG 4.12Å; F1128-P1151 HydrophobicContact CD1-CB 3.88Å; F1128-P1151 HydrophobicContact CD1-CG 3.76Å; F1128-P1151 HydrophobicContact CD2-CB 4.08Å; F1128-P1151 HydrophobicContact CE1-CG 4.34Å; F1128-P1151 HydrophobicContact CG-CB 3.57Å; F1128-P1151 HydrophobicContact CG-CG 4.01Å
1129	C	71.7	Confident	72.3	Confident	23 Å²	23	91.1 Å²	91.1	16%	0.155	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-3.3	179.3	-48.8	0	0	0	0	112.9	C1126 I1131 F1168	C1126-C1129 HydrophobicContact CB-CB 4.27Å; C1126-C1129 PolarHBondContact SG-N 2.97Å; C1126-C1129 VanDerWaalsContact SG-SG 3.67Å; C1129-I1131 HydrophobicContact CB-CD1 4.05Å; C1129-I1131 HydrophobicContact CB-CG1 3.88Å; C1129-I1131 WeakPolarHBondContact O-CG1 3.39Å; C1129-I1131 PolarHBondContact O-N 3.45Å; C1129-F1168 HydrophobicContact CB-CZ 4.37Å
1130	E	73	Confident	73.8	Confident	141 Å²	141	88.9 Å²	88.9	66%	0.659	42%	0.423	S	S	*	.			trans	58.6	5.6	-175.3	-54.7	-171.6	148.8	0	0	115.4	C1126 R1132	C1126-E1130 WeakPolarHBondContact O-CA 3.45Å; C1126-E1130 PolarHBondContact O-N 2.92Å; E1130-R1132 PolarHBondContact O-N 2.58Å
1131	I	75	Confident	75	Confident	43 Å²	43	88 Å²	88	22%	0.221	41%	0.408	C	S	.	.			trans	-68.5	123.8	178.6	-50.5	178.5	0	0	0	110.1	M863 C1126 C1129 F1133	M863-I1131 HydrophobicContact SD-CD1 3.98Å; M863-I1131 HydrophobicContact SD-CG1 4.31Å; C1126-I1131 PolarHBondContact N-O 2.86Å; C1129-I1131 HydrophobicContact CB-CD1 4.05Å; C1129-I1131 HydrophobicContact CB-CG1 3.88Å; C1129-I1131 WeakPolarHBondContact O-CG1 3.39Å; C1129-I1131 PolarHBondContact O-N 3.45Å; I1131-F1133 HydrophobicContact CB-CE2 3.7Å; I1131-F1133 HydrophobicContact CB-CZ 3.82Å; I1131-F1133 HydrophobicContact CG2-CD2 4.27Å; I1131-F1133 HydrophobicContact CG2-CE1 3.91Å; I1131-F1133 HydrophobicContact CG2-CE2 3.56Å; I1131-F1133 HydrophobicContact CG2-CZ 3.34Å; I1131-F1133 WeakPolarHBondContact O-CD2 3.18Å; I1131-F1133 VanDerWaalsContact O-CE2 3.24Å; I1131-F1133 WeakPolarHBondContact O-CE2 3.5Å
1132	R	78.6	Confident	75.9	Confident	123 Å²	123	84.9 Å²	84.9	46%	0.464	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	133.9	176.3	-46.1	-173.5	84.2	75.1	15.9	110.7	F1122 E1125 E1130	F1122-R1132 HydrophobicContact CB-CB 4.09Å; F1122-R1132 HydrophobicContact CD1-CB 3.56Å; F1122-R1132 HydrophobicContact CE1-CB 4.12Å; F1122-R1132 HydrophobicContact CG-CB 3.91Å; E1125-R1132 VanDerWaalsContact CD-CZ 3.47Å; E1125-R1132 IonicContact OE1-CZ 3.77Å; E1125-R1132 IonicContact OE1-NH1 3.61Å; E1125-R1132 PolarHBondContact OE1-NH1 2.92Å; E1125-R1132 IonicContact OE1-NH2 2.69Å; E1125-R1132 IonicContact OE2-CZ 2.75Å; E1125-R1132 VanDerWaalsContact OE2-CZ 3.24Å; E1125-R1132 IonicContact OE2-NH1 3.52Å; E1125-R1132 PolarHBondContact OE2-NH1 3.47Å; E1125-R1132 IonicContact OE2-NH2 3.82Å; E1125-R1132 PolarHBondContact OE2-NH2 3.44Å; E1130-R1132 PolarHBondContact O-N 2.58Å
1133	F	78.5	Confident	76.7	Confident	26 Å²	26	81.2 Å²	81.2	11%	0.114	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	128.4	-176.8	-59.6	-91.6	0	0	0	111.8	S1123 H1124 C1126 I1131 L1138 Y1139 H1142	S1123-F1133 PolarHBondContact N-O 3Å; H1124-F1133 HydrophobicContact CB-CB 4.31Å; H1124-F1133 PolarHBondContact N-O 3.4Å; H1124-F1133 PolarHBondContact O-N 2.93Å; C1126-F1133 HydrophobicContact CB-CE2 4.31Å; I1131-F1133 HydrophobicContact CB-CE2 3.7Å; I1131-F1133 HydrophobicContact CB-CZ 3.82Å; I1131-F1133 HydrophobicContact CG2-CD2 4.27Å; I1131-F1133 HydrophobicContact CG2-CE1 3.91Å; I1131-F1133 HydrophobicContact CG2-CE2 3.56Å; I1131-F1133 HydrophobicContact CG2-CZ 3.34Å; I1131-F1133 WeakPolarHBondContact O-CD2 3.18Å; I1131-F1133 VanDerWaalsContact O-CE2 3.24Å; I1131-F1133 WeakPolarHBondContact O-CE2 3.5Å; F1133-L1138 HydrophobicContact CD1-CB 3.65Å; F1133-L1138 HydrophobicContact CE1-CB 4.27Å; F1133-Y1139 AromaticContact CD2-CD2 3.79Å; F1133-Y1139 HydrophobicContact CD2-CD2 3.79Å; F1133-Y1139 HydrophobicContact CD2-CG 4.47Å; F1133-Y1139 HydrophobicContact CE2-CD2 4.19Å; F1133-H1142 HydrophobicContact CE1-CB 4Å; F1133-H1142 HydrophobicContact CE2-CB 4.13Å; F1133-H1142 AromaticContact CE2-CD2 3.4Å; F1133-H1142 WeakPolarHBondContact CE2-CD2 3.29Å; F1133-H1142 AromaticContact CE2-CG 3.95Å; F1133-H1142 HydrophobicContact CZ-CB 3.49Å; F1133-H1142 VanDerWaalsContact CZ-CB 3.49Å; F1133-H1142 AromaticContact CZ-CD2 3.36Å; F1133-H1142 WeakPolarHBondContact CZ-CD2 3.32Å; F1133-H1142 AromaticContact CZ-CG 3.44Å; F1133-H1142 VanDerWaalsContact CZ-CG 3.44Å
1134	R	72.4	Confident	76.8	Confident	113 Å²	113	79.1 Å²	79.1	43%	0.426	37%	0.367	S	S	.	.	S	Bend	trans	-81.9	-14.5	174.7	-177.3	164.3	-175.7	-154.1	10.3	113.7	D538 D1121 F1122	D538-R1134 IonicContact OD2-CZ 3.48Å; D538-R1134 IonicContact OD2-NH1 2.65Å; D538-R1134 PolarHBondContact OD2-NH1 2.93Å; D538-R1134 IonicContact OD2-NH2 2.67Å; D538-R1134 PolarHBondContact OD2-NH2 3.38Å; D1121-R1134 WeakPolarHBondContact O-CB 3.38Å; D1121-R1134 WeakPolarHBondContact O-CD 3.43Å; D1121-R1134 WeakPolarHBondContact O-CG 3.47Å; D1121-R1134 WeakPolarHBondContact OD1-CD 3.43Å; D1121-R1134 WeakPolarHBondContact OD1-CG 3.37Å; D1121-R1134 IonicContact OD1-CZ 2.66Å; D1121-R1134 IonicContact OD1-NE 2.83Å; D1121-R1134 PolarHBondContact OD1-NE 3.44Å; D1121-R1134 IonicContact OD1-NH2 3.46Å; D1121-R1134 IonicContact OD2-CZ 3.22Å; D1121-R1134 IonicContact OD2-NE 2.71Å; D1121-R1134 PolarHBondContact OD2-NE 3.37Å; D1121-R1134 IonicContact OD2-NH2 3.24Å; D1121-R1134 PolarHBondContact OD2-NH2 3.11Å; F1122-R1134 HydrophobicContact CD1-CB 4.33Å; F1122-R1134 HydrophobicContact CE1-CB 4.49Å
1135	Q	78	Confident	76.8	Confident	113 Å²	113	79.2 Å²	79.2	53%	0.528	37%	0.367	S	S	.	.	S	Bend	trans	-128.6	130.7	179.4	-66.3	-174	-18.6	0	0	109.6	T1137 L1138 Y1139	Q1135-T1137 VanDerWaalsContact C-N 3.27Å; Q1135-T1137 PolarHBondContact O-N 3.26Å; Q1135-L1138 HydrophobicContact CB-CD1 4.24Å; Q1135-L1138 HydrophobicContact CB-CG 4.24Å; Q1135-L1138 PolarHBondContact O-N 3.39Å; Q1135-L1138 VanDerWaalsContact O-N 3.14Å; Q1135-Y1139 PolarHBondContact O-N 3.03Å
1136	R	78.8	Confident	76.5	Confident	156 Å²	156	75.1 Å²	75.1	59%	0.589	35%	0.348	S	S	*	.	H	α-helix	trans	-57.9	-40.4	178.7	-160.2	-162.9	157.6	147.8	2.7	112.1	H1124 L1138 Y1139 D1140	H1124-R1136 VanDerWaalsContact CD2-CA 3.48Å; H1124-R1136 WeakPolarHBondContact CD2-CA 3.46Å; H1124-R1136 WeakPolarHBondContact NE2-CB 3.12Å; R1136-L1138 VanDerWaalsContact C-N 3.25Å; R1136-L1138 PolarHBondContact O-N 3.22Å; R1136-Y1139 CarbonylContact O-C 3.41Å; R1136-Y1139 WeakPolarHBondContact O-CA 3.41Å; R1136-Y1139 WeakPolarHBondContact O-CB 3.42Å; R1136-Y1139 PolarHBondContact O-N 3.19Å; R1136-D1140 WeakPolarHBondContact CD-OD2 2.97Å; R1136-D1140 WeakPolarHBondContact CG-OD2 3.24Å; R1136-D1140 IonicContact CZ-OD1 3.4Å; R1136-D1140 IonicContact NE-OD1 3.68Å; R1136-D1140 PolarHBondContact NE-OD1 3.11Å; R1136-D1140 IonicContact NE-OD2 2.66Å; R1136-D1140 PolarHBondContact NE-OD2 2.82Å; R1136-D1140 VanDerWaalsContact NE-OD2 3.14Å; R1136-D1140 IonicContact NH2-OD1 2.68Å; R1136-D1140 PolarHBondContact NH2-OD1 2.99Å; R1136-D1140 VanDerWaalsContact O-CG 3.27Å; R1136-D1140 PolarHBondContact O-N 2.96Å; R1136-D1140 VanDerWaalsContact O-OD2 3.14Å
1137	T	78.2	Confident	76	Confident	84 Å²	84	75.7 Å²	75.7	52%	0.515	35%	0.352	S	S	.	.	H	α-helix	trans	-54.4	-37.5	176.8	48.8	0	0	0	0	113.7	Q1135 I1141	Q1135-T1137 VanDerWaalsContact C-N 3.27Å; Q1135-T1137 PolarHBondContact O-N 3.26Å; T1137-I1141 WeakPolarHBondContact O-CB 3.3Å; T1137-I1141 WeakPolarHBondContact O-CD1 3.31Å; T1137-I1141 WeakPolarHBondContact O-CG1 3.02Å; T1137-I1141 PolarHBondContact O-N 2.72Å
1138	L	76.8	Confident	75.8	Confident	85 Å²	85	70.9 Å²	70.9	45%	0.445	34%	0.339	S	S	.	.	H	α-helix	trans	-74.2	-32.1	176.8	-62.7	175.7	0	0	0	112.1	F1133 Q1135 R1136 H1142	F1133-L1138 HydrophobicContact CD1-CB 3.65Å; F1133-L1138 HydrophobicContact CE1-CB 4.27Å; Q1135-L1138 HydrophobicContact CB-CD1 4.24Å; Q1135-L1138 HydrophobicContact CB-CG 4.24Å; Q1135-L1138 PolarHBondContact O-N 3.39Å; Q1135-L1138 VanDerWaalsContact O-N 3.14Å; R1136-L1138 VanDerWaalsContact C-N 3.25Å; R1136-L1138 PolarHBondContact O-N 3.22Å; L1138-H1142 WeakPolarHBondContact O-CB 3.46Å; L1138-H1142 PolarHBondContact O-N 3.38Å
1139	Y	80	Confident	75.9	Confident	41 Å²	41	71.7 Å²	71.7	16%	0.161	36%	0.357	C	S	.	.	H	α-helix	trans	-70.4	-45.8	172.1	176.7	-101.2	0	0	0	111.9	H1124 E1125 F1133 Q1135 R1136 I1141 H1142 M1143	H1124-Y1139 HydrophobicContact CB-CD1 4.03Å; H1124-Y1139 HydrophobicContact CB-CD2 3.73Å; H1124-Y1139 HydrophobicContact CB-CE2 4.31Å; H1124-Y1139 HydrophobicContact CB-CG 3.54Å; E1125-Y1139 WeakPolarHBondContact O-CE2 3.29Å; F1133-Y1139 AromaticContact CD2-CD2 3.79Å; F1133-Y1139 HydrophobicContact CD2-CD2 3.79Å; F1133-Y1139 HydrophobicContact CD2-CG 4.47Å; F1133-Y1139 HydrophobicContact CE2-CD2 4.19Å; Q1135-Y1139 PolarHBondContact O-N 3.03Å; R1136-Y1139 CarbonylContact O-C 3.41Å; R1136-Y1139 WeakPolarHBondContact O-CA 3.41Å; R1136-Y1139 WeakPolarHBondContact O-CB 3.42Å; R1136-Y1139 PolarHBondContact O-N 3.19Å; Y1139-I1141 VanDerWaalsContact C-N 3.31Å; Y1139-I1141 PolarHBondContact O-N 3.11Å; Y1139-H1142 CarbonylContact O-C 3.6Å; Y1139-H1142 WeakPolarHBondContact O-CA 3.14Å; Y1139-H1142 WeakPolarHBondContact O-CB 3.38Å; Y1139-H1142 PolarHBondContact O-N 3.47Å; Y1139-M1143 HydrophobicContact CD1-CG 4.13Å; Y1139-M1143 HydrophobicContact CD2-CE 4.27Å; Y1139-M1143 HydrophobicContact CE1-CG 3.83Å; Y1139-M1143 HydrophobicContact CE1-SD 4.43Å; Y1139-M1143 HydrophobicContact CE2-CE 3.93Å; Y1139-M1143 HydrophobicContact CE2-CG 4.24Å; Y1139-M1143 HydrophobicContact CE2-SD 4.06Å; Y1139-M1143 HydrophobicContact CG-CG 4.49Å; Y1139-M1143 WeakPolarHBondContact O-CG 3.47Å; Y1139-M1143 PolarHBondContact O-N 2.68Å
1140	D	79.4	Confident	75.9	Confident	66 Å²	66	72.8 Å²	72.8	35%	0.353	36%	0.361	S	S	.	.	H	α-helix	trans	-62.8	-38.4	177.3	-58.2	-43.9	0	0	0	110.3	R1136 G1144	R1136-D1140 WeakPolarHBondContact CD-OD2 2.97Å; R1136-D1140 WeakPolarHBondContact CG-OD2 3.24Å; R1136-D1140 IonicContact CZ-OD1 3.4Å; R1136-D1140 IonicContact NE-OD1 3.68Å; R1136-D1140 PolarHBondContact NE-OD1 3.11Å; R1136-D1140 IonicContact NE-OD2 2.66Å; R1136-D1140 PolarHBondContact NE-OD2 2.82Å; R1136-D1140 VanDerWaalsContact NE-OD2 3.14Å; R1136-D1140 IonicContact NH2-OD1 2.68Å; R1136-D1140 PolarHBondContact NH2-OD1 2.99Å; R1136-D1140 VanDerWaalsContact O-CG 3.27Å; R1136-D1140 PolarHBondContact O-N 2.96Å; R1136-D1140 VanDerWaalsContact O-OD2 3.14Å; D1140-G1144 PolarHBondContact O-N 2.85Å
1141	I	78	Confident	76	Confident	100 Å²	100	67 Å²	67	51%	0.513	34%	0.336	S	S	.	.	H	α-helix	trans	-62.9	-41	169.7	-72.8	164.8	0	0	0	111.5	T1137 Y1139 G1144 F1145	T1137-I1141 WeakPolarHBondContact O-CB 3.3Å; T1137-I1141 WeakPolarHBondContact O-CD1 3.31Å; T1137-I1141 WeakPolarHBondContact O-CG1 3.02Å; T1137-I1141 PolarHBondContact O-N 2.72Å; Y1139-I1141 VanDerWaalsContact C-N 3.31Å; Y1139-I1141 PolarHBondContact O-N 3.11Å; I1141-G1144 WeakPolarHBondContact O-CA 3.4Å; I1141-G1144 PolarHBondContact O-N 3.12Å; I1141-F1145 HydrophobicContact CG2-CE2 4.04Å; I1141-F1145 VanDerWaalsContact O-CD2 3.23Å; I1141-F1145 WeakPolarHBondContact O-CD2 3.37Å; I1141-F1145 WeakPolarHBondContact O-CE2 3.45Å
1142	H	79.4	Confident	76.2	Confident	20 Å²	20	69 Å²	69	9%	0.093	34%	0.341	C	S	.	.	H	α-helix	trans	-67.8	-40.9	178.4	177.9	54.1	0	0	0	112.9	C1126 F1133 L1138 Y1139 G1144 F1145 H1146	C1126-H1142 VanDerWaalsContact CB-NE2 3.34Å; C1126-H1142 WeakPolarHBondContact CB-NE2 3.5Å; C1126-H1142 PolarHBondContact SG-NE2 2.92Å; F1133-H1142 HydrophobicContact CE1-CB 4Å; F1133-H1142 HydrophobicContact CE2-CB 4.13Å; F1133-H1142 AromaticContact CE2-CD2 3.4Å; F1133-H1142 WeakPolarHBondContact CE2-CD2 3.29Å; F1133-H1142 AromaticContact CE2-CG 3.95Å; F1133-H1142 HydrophobicContact CZ-CB 3.49Å; F1133-H1142 VanDerWaalsContact CZ-CB 3.49Å; F1133-H1142 AromaticContact CZ-CD2 3.36Å; F1133-H1142 WeakPolarHBondContact CZ-CD2 3.32Å; F1133-H1142 AromaticContact CZ-CG 3.44Å; F1133-H1142 VanDerWaalsContact CZ-CG 3.44Å; L1138-H1142 WeakPolarHBondContact O-CB 3.46Å; L1138-H1142 PolarHBondContact O-N 3.38Å; Y1139-H1142 CarbonylContact O-C 3.6Å; Y1139-H1142 WeakPolarHBondContact O-CA 3.14Å; Y1139-H1142 WeakPolarHBondContact O-CB 3.38Å; Y1139-H1142 PolarHBondContact O-N 3.47Å; H1142-G1144 PolarHBondContact O-N 2.77Å; H1142-F1145 PolarHBondContact O-N 2.98Å; H1142-F1145 VanDerWaalsContact O-N 3.12Å; H1142-H1146 AromaticContact CD2-NE2 3.74Å; H1142-H1146 AromaticContact CE1-CD2 3.83Å; H1142-H1146 AromaticContact CE1-NE2 3.2Å; H1142-H1146 PolarHBondContact CE1-NE2 2.82Å; H1142-H1146 AromaticContact ND1-NE2 3.78Å; H1142-H1146 AromaticContact NE2-NE2 3.15Å; H1142-H1146 PolarHBondContact NE2-NE2 3.29Å; H1142-H1146 VanDerWaalsContact NE2-NE2 3.15Å
1143	M	79.1	Confident	76.3	Confident	23 Å²	23	65.1 Å²	65.1	11%	0.113	33%	0.329	C	S	.	.	H	α-helix	trans	-68.3	-14.4	168.9	-57.7	-58.5	92.9	0	0	112.2	C1126 Y1139 F1145 H1146 H1148 N1155	C1126-M1143 HydrophobicContact CB-CE 4.14Å; Y1139-M1143 HydrophobicContact CD1-CG 4.13Å; Y1139-M1143 HydrophobicContact CD2-CE 4.27Å; Y1139-M1143 HydrophobicContact CE1-CG 3.83Å; Y1139-M1143 HydrophobicContact CE1-SD 4.43Å; Y1139-M1143 HydrophobicContact CE2-CE 3.93Å; Y1139-M1143 HydrophobicContact CE2-CG 4.24Å; Y1139-M1143 HydrophobicContact CE2-SD 4.06Å; Y1139-M1143 HydrophobicContact CG-CG 4.49Å; Y1139-M1143 WeakPolarHBondContact O-CG 3.47Å; Y1139-M1143 PolarHBondContact O-N 2.68Å; M1143-F1145 PolarHBondContact O-N 2.68Å; M1143-H1146 CarbonylContact C-O 3.57Å; M1143-H1146 VanDerWaalsContact CE-CE1 3.41Å; M1143-H1146 WeakPolarHBondContact CE-CE1 3.2Å; M1143-H1148 PolarHBondContact SD-CE1 3.15Å; M1143-N1155 PolarHBondContact O-ND2 3.07Å
1144	G	77.5	Confident	76.5	Confident	42 Å²	42	63.9 Å²	63.9	43%	0.433	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-17.7	168.5	0	0	0	0	0	113.6	D1140 I1141 H1142 N1155	D1140-G1144 PolarHBondContact O-N 2.85Å; I1141-G1144 WeakPolarHBondContact O-CA 3.4Å; I1141-G1144 PolarHBondContact O-N 3.12Å; H1142-G1144 PolarHBondContact O-N 2.77Å; G1144-N1155 WeakPolarHBondContact O-CB 3.22Å
1145	F	76.1	Confident	76.8	Confident	52 Å²	52	62.2 Å²	62.2	23%	0.228	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-35.5	178.7	-65.2	-73.8	0	0	0	114.1	I1141 H1142 M1143 C1154 N1155 F1167 L1171	I1141-F1145 HydrophobicContact CG2-CE2 4.04Å; I1141-F1145 VanDerWaalsContact O-CD2 3.23Å; I1141-F1145 WeakPolarHBondContact O-CD2 3.37Å; I1141-F1145 WeakPolarHBondContact O-CE2 3.45Å; H1142-F1145 PolarHBondContact O-N 2.98Å; H1142-F1145 VanDerWaalsContact O-N 3.12Å; M1143-F1145 PolarHBondContact O-N 2.68Å; F1145-C1154 CarbonylContact O-C 3.56Å; F1145-C1154 WeakPolarHBondContact O-CA 3.49Å; F1145-N1155 PolarHBondContact O-N 3.29Å; F1145-F1167 HydrophobicContact CB-CZ 4.48Å; F1145-L1171 HydrophobicContact CB-CD1 3.88Å; F1145-L1171 HydrophobicContact CB-CD2 4.08Å; F1145-L1171 HydrophobicContact CD1-CD1 4.27Å; F1145-L1171 HydrophobicContact CD1-CD2 3.63Å; F1145-L1171 HydrophobicContact CE1-CD2 4.47Å; F1145-L1171 HydrophobicContact CG-CD1 4.12Å; F1145-L1171 HydrophobicContact CG-CD2 4.19Å
1146	H	75.7	Confident	76.8	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.005	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-137.3	155.7	179.1	64.7	85.5	0	0	0	112.6	C1126 H1142 M1143 P1151 L1153 N1155 F1167	C1126-H1146 PolarHBondContact SG-CE1 3.1Å; H1142-H1146 AromaticContact CD2-NE2 3.74Å; H1142-H1146 AromaticContact CE1-CD2 3.83Å; H1142-H1146 AromaticContact CE1-NE2 3.2Å; H1142-H1146 PolarHBondContact CE1-NE2 2.82Å; H1142-H1146 AromaticContact ND1-NE2 3.78Å; H1142-H1146 AromaticContact NE2-NE2 3.15Å; H1142-H1146 PolarHBondContact NE2-NE2 3.29Å; H1142-H1146 VanDerWaalsContact NE2-NE2 3.15Å; M1143-H1146 CarbonylContact C-O 3.57Å; M1143-H1146 VanDerWaalsContact CE-CE1 3.41Å; M1143-H1146 WeakPolarHBondContact CE-CE1 3.2Å; H1146-P1151 WeakPolarHBondContact CB-O 3.42Å; H1146-L1153 WeakPolarHBondContact CA-O 3.39Å; H1146-N1155 PolarHBondContact O-ND2 2.9Å; H1146-F1167 HydrophobicContact CB-CE1 4.11Å; H1146-F1167 HydrophobicContact CB-CE2 4.36Å; H1146-F1167 HydrophobicContact CB-CZ 3.66Å
1147	S	66.7	Low	77	Confident	14 Å²	14	58.1 Å²	58.1	10%	0.098	31%	0.313	C	S	.	.			trans	-89.8	152.6	-171.1	77.2	0	0	0	0	112.9	S1149 D1150 N1155	S1147-S1149 WeakPolarHBondContact CB-OG 3.36Å; S1147-S1149 PolarHBondContact O-N 2.85Å; S1147-S1149 VanDerWaalsContact O-N 3.11Å; S1147-S1149 PolarHBondContact OG-N 3.41Å; S1147-S1149 PolarHBondContact OG-OG 2.88Å; S1147-D1150 PolarHBondContact N-O 3.41Å; S1147-D1150 VanDerWaalsContact N-O 3.12Å; S1147-D1150 CarbonylContact O-C 3.37Å; S1147-D1150 PolarHBondContact O-N 2.9Å; S1147-D1150 VanDerWaalsContact O-O 3.1Å; S1147-D1150 WeakPolarHBondContact OG-CA 3.39Å; S1147-D1150 PolarHBondContact OG-N 3.25Å; S1147-D1150 PolarHBondContact OG-O 2.93Å; S1147-N1155 WeakPolarHBondContact CB-OD1 3.21Å; S1147-N1155 PolarHBondContact N-ND2 3.39Å
1148	H	68.6	Low	77.1	Confident	128 Å²	128	55.8 Å²	55.8	59%	0.593	31%	0.305	S	S	*	.	S	Bend	trans	-63.2	-14	170.2	-70	-51.6	0	0	0	114	F1128 M1143	F1128-H1148 WeakPolarHBondContact CZ-O 3.05Å; M1143-H1148 PolarHBondContact SD-CE1 3.15Å
1149	S	71.6	Confident	77.3	Confident	112 Å²	112	54.9 Å²	54.9	78%	0.783	30%	0.299	S	S	*	.	S	Bend	trans	-93.5	-33.2	178.6	35.2	0	0	0	0	113.8	S1147	S1147-S1149 WeakPolarHBondContact CB-OG 3.36Å; S1147-S1149 PolarHBondContact O-N 2.85Å; S1147-S1149 VanDerWaalsContact O-N 3.11Å; S1147-S1149 PolarHBondContact OG-N 3.41Å; S1147-S1149 PolarHBondContact OG-OG 2.88Å
1150	D	73.2	Confident	77.5	Confident	46 Å²	46	56.7 Å²	56.7	25%	0.246	31%	0.309	C	S	.	.			trans	-151	116.2	-175.9	-171.1	-42.5	0	0	0	108.7	S1147 Y1152 L1153 Q1160	S1147-D1150 PolarHBondContact N-O 3.41Å; S1147-D1150 VanDerWaalsContact N-O 3.12Å; S1147-D1150 CarbonylContact O-C 3.37Å; S1147-D1150 PolarHBondContact O-N 2.9Å; S1147-D1150 VanDerWaalsContact O-O 3.1Å; S1147-D1150 WeakPolarHBondContact OG-CA 3.39Å; S1147-D1150 PolarHBondContact OG-N 3.25Å; S1147-D1150 PolarHBondContact OG-O 2.93Å; D1150-Y1152 WeakPolarHBondContact OD1-CA 3.25Å; D1150-Y1152 PolarHBondContact OD1-N 3.34Å; D1150-L1153 HydrophobicContact CB-CB 3.97Å; D1150-L1153 PolarHBondContact OD1-N 2.89Å; D1150-Q1160 VanDerWaalsContact CG-NE2 3.32Å; D1150-Q1160 PolarHBondContact OD1-NE2 3.07Å; D1150-Q1160 VanDerWaalsContact OD1-NE2 3.12Å; D1150-Q1160 PolarHBondContact OD2-NE2 2.89Å; D1150-Q1160 PolarHBondContact OD2-OE1 2.91Å
1151	P	74.3	Confident	77.7	Confident	20 Å²	20	53.7 Å²	53.7	13%	0.13	29%	0.293	C	S	.	.	S	Bend	trans	-83.2	-9.1	-177.5	35.2	-37	0	0	0	114.3	F1128 H1146	F1128-P1151 HydrophobicContact CB-CB 3.48Å; F1128-P1151 VanDerWaalsContact CB-CB 3.48Å; F1128-P1151 HydrophobicContact CB-CG 4.12Å; F1128-P1151 HydrophobicContact CD1-CB 3.88Å; F1128-P1151 HydrophobicContact CD1-CG 3.76Å; F1128-P1151 HydrophobicContact CD2-CB 4.08Å; F1128-P1151 HydrophobicContact CE1-CG 4.34Å; F1128-P1151 HydrophobicContact CG-CB 3.57Å; F1128-P1151 HydrophobicContact CG-CG 4.01Å; H1146-P1151 WeakPolarHBondContact CB-O 3.42Å
1152	Y	79	Confident	77.7	Confident	84 Å²	84	55.5 Å²	55.5	33%	0.329	30%	0.304	S	S	.	.	S	Bend	trans	-105.4	-7.2	180	-49.8	-51.3	0	0	0	112.3	D1150 S1161 F1167	D1150-Y1152 WeakPolarHBondContact OD1-CA 3.25Å; D1150-Y1152 PolarHBondContact OD1-N 3.34Å; Y1152-S1161 VanDerWaalsContact CB-O 3.23Å; Y1152-S1161 WeakPolarHBondContact CB-O 3.26Å; Y1152-S1161 PolarHBondContact O-N 2.82Å; Y1152-F1167 HydrophobicContact CD1-CB 4.28Å; Y1152-F1167 WeakPolarHBondContact O-CD2 3.43Å
1153	L	80.8	Confident	77.6	Confident	41 Å²	41	58.1 Å²	58.1	22%	0.215	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-79.4	117.8	166.6	-178.3	61.5	0	0	0	111	H1146 D1150 N1155	H1146-L1153 WeakPolarHBondContact CA-O 3.39Å; D1150-L1153 HydrophobicContact CB-CB 3.97Å; D1150-L1153 PolarHBondContact OD1-N 2.89Å; L1153-N1155 PolarHBondContact O-N 3.41Å
1154	C	82.4	Confident	77.4	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-73.9	109.1	173.2	-175.8	0	0	0	0	111.4	F1145 R1156 C1157 G1158 H1159 F1167 H1170 H1176	F1145-C1154 CarbonylContact O-C 3.56Å; F1145-C1154 WeakPolarHBondContact O-CA 3.49Å; C1154-R1156 PolarHBondContact O-N 3.44Å; C1154-R1156 VanDerWaalsContact O-N 3.08Å; C1154-C1157 PolarHBondContact O-N 2.85Å; C1154-G1158 WeakPolarHBondContact O-CA 3.31Å; C1154-G1158 PolarHBondContact O-N 3.42Å; C1154-H1159 HydrophobicContact CB-CB 4.38Å; C1154-H1159 PolarHBondContact N-O 2.86Å; C1154-F1167 HydrophobicContact CB-CE2 4.05Å; C1154-H1170 WeakPolarHBondContact CB-NE2 3.46Å; C1154-H1170 PolarHBondContact SG-NE2 2.6Å; C1154-H1170 VanDerWaalsContact SG-NE2 3.44Å; C1154-H1176 VanDerWaalsContact SG-CD2 3.58Å; C1154-H1176 PolarHBondContact SG-NE2 3.29Å
1155	N	78.9	Confident	77.4	Confident	78 Å²	78	61.7 Å²	61.7	42%	0.417	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.8	177.8	-80.1	-15.6	0	0	0	113.7	M1143 G1144 F1145 H1146 S1147 L1153	M1143-N1155 PolarHBondContact O-ND2 3.07Å; G1144-N1155 WeakPolarHBondContact O-CB 3.22Å; F1145-N1155 PolarHBondContact O-N 3.29Å; H1146-N1155 PolarHBondContact O-ND2 2.9Å; S1147-N1155 WeakPolarHBondContact CB-OD1 3.21Å; S1147-N1155 PolarHBondContact N-ND2 3.39Å; L1153-N1155 PolarHBondContact O-N 3.41Å
1156	R	77.3	Confident	77.5	Confident	112 Å²	112	62.8 Å²	62.8	42%	0.423	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-31.3	-175.3	-164.4	-178.3	-170.3	152.8	7.2	113.9	C1154 H1176 S1178	C1154-R1156 PolarHBondContact O-N 3.44Å; C1154-R1156 VanDerWaalsContact O-N 3.08Å; R1156-H1176 PolarHBondContact NH1-O 3.05Å; R1156-S1178 PolarHBondContact NH1-OXT 3.35Å; R1156-S1178 PolarHBondContact NH2-OG 3.03Å; R1156-S1178 PolarHBondContact NH2-OXT 3.33Å
1157	C	83.2	Confident	77.8	Confident	72 Å²	72	62.9 Å²	62.9	49%	0.486	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.1	-10.4	-177	73.6	0	0	0	0	115.3	C1154 H1159 H1170 H1176	C1154-C1157 PolarHBondContact O-N 2.85Å; C1157-H1159 PolarHBondContact SG-N 3.2Å; C1157-H1170 PolarHBondContact SG-CE1 3.43Å; C1157-H1170 PolarHBondContact SG-NE2 2.96Å; C1157-H1176 VanDerWaalsContact SG-CE1 3.52Å; C1157-H1176 PolarHBondContact SG-NE2 2.88Å; C1157-H1176 VanDerWaalsContact SG-NE2 3.42Å
1158	G	81.1	Confident	78.3	Confident	34 Å²	34	66 Å²	66	35%	0.351	35%	0.353	S	S	.	.			trans	80.7	9.9	-178.5	0	0	0	0	0	115.6	C1154 Q1160	C1154-G1158 WeakPolarHBondContact O-CA 3.31Å; C1154-G1158 PolarHBondContact O-N 3.42Å; G1158-Q1160 PolarHBondContact O-N 2.85Å
1159	H	82	Confident	78.9	Confident	67 Å²	67	64.1 Å²	64.1	31%	0.31	35%	0.35	S	S	.	.			trans	-64.9	130.7	169.8	173.9	87.4	0	0	0	110.4	C1154 C1157 S1161 H1170	C1154-H1159 HydrophobicContact CB-CB 4.38Å; C1154-H1159 PolarHBondContact N-O 2.86Å; C1157-H1159 PolarHBondContact SG-N 3.2Å; H1159-S1161 PolarHBondContact CD2-OG 3.42Å; H1159-S1161 PolarHBondContact NE2-OG 3.17Å; H1159-H1170 VanDerWaalsContact CB-CE1 3.43Å; H1159-H1170 WeakPolarHBondContact CB-CE1 2.99Å; H1159-H1170 WeakPolarHBondContact CB-NE2 3.37Å; H1159-H1170 AromaticContact CD2-CD2 3.57Å; H1159-H1170 AromaticContact CD2-CG 3.4Å; H1159-H1170 VanDerWaalsContact CD2-CG 3.4Å; H1159-H1170 AromaticContact CD2-ND1 3.74Å; H1159-H1170 AromaticContact CD2-NE2 3.98Å; H1159-H1170 AromaticContact CG-CD2 3.98Å; H1159-H1170 AromaticContact CG-CE1 3.71Å; H1159-H1170 AromaticContact CG-CG 3.86Å; H1159-H1170 AromaticContact CG-ND1 3.72Å; H1159-H1170 AromaticContact CG-NE2 3.9Å; H1159-H1170 AromaticContact NE2-CG 3.99Å
1160	Q	82.8	Confident	79.4	Confident	78 Å²	78	59.2 Å²	59.2	36%	0.364	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-103.9	114.9	174.2	-176.5	75.3	47.7	0	0	108.6	D1150 G1158	D1150-Q1160 VanDerWaalsContact CG-NE2 3.32Å; D1150-Q1160 PolarHBondContact OD1-NE2 3.07Å; D1150-Q1160 VanDerWaalsContact OD1-NE2 3.12Å; D1150-Q1160 PolarHBondContact OD2-NE2 2.89Å; D1150-Q1160 PolarHBondContact OD2-OE1 2.91Å; G1158-Q1160 PolarHBondContact O-N 2.85Å
1161	S	83.9	Confident	79.6	Confident	3 Å²	3	58.7 Å²	58.7	2%	0.021	31%	0.312	C	S	.	.			trans	-89.1	161	170.9	-52.2	0	0	0	0	111.3	Y1152 H1159 F1167	Y1152-S1161 VanDerWaalsContact CB-O 3.23Å; Y1152-S1161 WeakPolarHBondContact CB-O 3.26Å; Y1152-S1161 PolarHBondContact O-N 2.82Å; H1159-S1161 PolarHBondContact CD2-OG 3.42Å; H1159-S1161 PolarHBondContact NE2-OG 3.17Å; S1161-F1167 VanDerWaalsContact OG-CA 3.26Å; S1161-F1167 WeakPolarHBondContact OG-CA 3.37Å; S1161-F1167 PolarHBondContact OG-N 3.38Å
1162	N	77.4	Confident	79.7	Confident	138 Å²	138	59.5 Å²	59.5	74%	0.738	33%	0.325	S	S	*	.	S	Bend	trans	-95.2	-23.4	-179.4	-56.4	-86.7	0	0	0	112.7	E1166	N1162-E1166 VanDerWaalsContact CB-OE2 3.31Å; N1162-E1166 WeakPolarHBondContact CB-OE2 3.25Å; N1162-E1166 PolarHBondContact N-OE2 2.87Å; N1162-E1166 PolarHBondContact ND2-OE2 2.97Å
1163	D	78.7	Confident	79.7	Confident	75 Å²	75	60.5 Å²	60.5	40%	0.401	33%	0.332	S	S	.	.	S	Bend	trans	-146.5	159.5	178.7	179.5	27.1	0	0	0	110.8	V1165 E1166 F1167	D1163-V1165 PolarHBondContact O-N 2.96Å; D1163-E1166 PolarHBondContact O-N 2.61Å; D1163-E1166 VanDerWaalsContact O-N 3.13Å; D1163-F1167 PolarHBondContact O-N 3.4Å
1164	S	73.7	Confident	78.3	Confident	45 Å²	45	67.2 Å²	67.2	32%	0.315	36%	0.362	S	S	.	.	H	α-helix	trans	-44.7	-43.1	170.4	59.6	0	0	0	0	114	F1167 F1168	S1164-F1167 PolarHBondContact O-N 3.39Å; S1164-F1168 WeakPolarHBondContact O-CD2 3.47Å; S1164-F1168 PolarHBondContact O-N 3.48Å
1165	V	77.3	Confident	77.3	Confident	95 Å²	95	70.4 Å²	70.4	58%	0.576	39%	0.389	S	S	*	.	H	α-helix	trans	-64.5	-47.9	179.4	-178.6	0	0	0	0	110.9	D1163 F1167 F1168 T1169	D1163-V1165 PolarHBondContact O-N 2.96Å; V1165-F1167 VanDerWaalsContact C-N 3.33Å; V1165-F1167 PolarHBondContact O-N 3.43Å; V1165-F1168 PolarHBondContact O-N 3.03Å; V1165-T1169 PolarHBondContact O-N 3.15Å; V1165-T1169 PolarHBondContact O-OG1 3.49Å
1166	E	79.2	Confident	76.7	Confident	76 Å²	76	67.2 Å²	67.2	36%	0.355	37%	0.371	S	S	.	.	H	α-helix	trans	-63.3	-41.7	178.7	-174.7	176.6	-148.9	0	0	110.7	N1162 D1163 T1169 H1170	N1162-E1166 VanDerWaalsContact CB-OE2 3.31Å; N1162-E1166 WeakPolarHBondContact CB-OE2 3.25Å; N1162-E1166 PolarHBondContact N-OE2 2.87Å; N1162-E1166 PolarHBondContact ND2-OE2 2.97Å; D1163-E1166 PolarHBondContact O-N 2.61Å; D1163-E1166 VanDerWaalsContact O-N 3.13Å; E1166-T1169 VanDerWaalsContact CA-OG1 3.29Å; E1166-T1169 WeakPolarHBondContact CA-OG1 3.38Å; E1166-T1169 PolarHBondContact O-N 3.26Å; E1166-T1169 PolarHBondContact O-OG1 3.38Å; E1166-H1170 WeakPolarHBondContact O-CB 3.46Å; E1166-H1170 PolarHBondContact O-N 3.34Å
1167	F	81.9	Confident	75.7	Confident	3 Å²	3	67.5 Å²	67.5	1%	0.013	37%	0.374	C	S	.	.	H	α-helix	trans	-61.1	-45.9	175.2	-176.9	-106.6	0	0	0	112.8	F1145 H1146 Y1152 C1154 S1161 D1163 S1164 V1165 H1170 L1171	F1145-F1167 HydrophobicContact CB-CZ 4.48Å; H1146-F1167 HydrophobicContact CB-CE1 4.11Å; H1146-F1167 HydrophobicContact CB-CE2 4.36Å; H1146-F1167 HydrophobicContact CB-CZ 3.66Å; Y1152-F1167 HydrophobicContact CD1-CB 4.28Å; Y1152-F1167 WeakPolarHBondContact O-CD2 3.43Å; C1154-F1167 HydrophobicContact CB-CE2 4.05Å; S1161-F1167 VanDerWaalsContact OG-CA 3.26Å; S1161-F1167 WeakPolarHBondContact OG-CA 3.37Å; S1161-F1167 PolarHBondContact OG-N 3.38Å; D1163-F1167 PolarHBondContact O-N 3.4Å; S1164-F1167 PolarHBondContact O-N 3.39Å; V1165-F1167 VanDerWaalsContact C-N 3.33Å; V1165-F1167 PolarHBondContact O-N 3.43Å; F1167-H1170 PolarHBondContact O-N 3.37Å; F1167-L1171 HydrophobicContact CD1-CD1 4.19Å; F1167-L1171 HydrophobicContact CE1-CD1 3.45Å; F1167-L1171 VanDerWaalsContact CE1-CD1 3.45Å; F1167-L1171 HydrophobicContact CE1-CG 4.01Å; F1167-L1171 HydrophobicContact CE2-CD2 4.44Å; F1167-L1171 HydrophobicContact CE2-CG 4.34Å; F1167-L1171 HydrophobicContact CZ-CD1 3.65Å; F1167-L1171 HydrophobicContact CZ-CD2 4.11Å; F1167-L1171 HydrophobicContact CZ-CG 3.88Å; F1167-L1171 WeakPolarHBondContact O-CG 3.36Å; F1167-L1171 PolarHBondContact O-N 3.42Å
1168	F	77.2	Confident	73.7	Confident	79 Å²	79	70.5 Å²	70.5	35%	0.346	40%	0.395	S	S	.	.	H	α-helix	trans	-70.8	-29.1	176.8	-73.9	-56.7	0	0	0	113.2	C1129 S1164 V1165 L1171 G1172	C1129-F1168 HydrophobicContact CB-CZ 4.37Å; S1164-F1168 WeakPolarHBondContact O-CD2 3.47Å; S1164-F1168 PolarHBondContact O-N 3.48Å; V1165-F1168 PolarHBondContact O-N 3.03Å; F1168-L1171 HydrophobicContact CD1-CD1 4.45Å; F1168-G1172 PolarHBondContact O-N 3.48Å
1169	T	81.5	Confident	73.4	Confident	88 Å²	88	72.4 Å²	72.4	54%	0.54	40%	0.398	S	S	.	.	H	α-helix	trans	-68.2	-39	169.1	47.1	0	0	0	0	112.2	V1165 E1166 G1172 E1173	V1165-T1169 PolarHBondContact O-N 3.15Å; V1165-T1169 PolarHBondContact O-OG1 3.49Å; E1166-T1169 VanDerWaalsContact CA-OG1 3.29Å; E1166-T1169 WeakPolarHBondContact CA-OG1 3.38Å; E1166-T1169 PolarHBondContact O-N 3.26Å; E1166-T1169 PolarHBondContact O-OG1 3.38Å; T1169-G1172 CarbonylContact O-C 3.59Å; T1169-G1172 VanDerWaalsContact O-CA 3.22Å; T1169-G1172 WeakPolarHBondContact O-CA 3.31Å; T1169-G1172 PolarHBondContact O-N 3.47Å; T1169-E1173 PolarHBondContact O-N 2.9Å
1170	H	82.5	Confident	72.9	Confident	10 Å²	10	72.6 Å²	72.6	5%	0.046	40%	0.402	C	S	.	.	H	α-helix	trans	-66.1	-41.5	177.3	171	63.4	0	0	0	112.8	C1154 C1157 H1159 E1166 F1167 G1172 E1173 H1176	C1154-H1170 WeakPolarHBondContact CB-NE2 3.46Å; C1154-H1170 PolarHBondContact SG-NE2 2.6Å; C1154-H1170 VanDerWaalsContact SG-NE2 3.44Å; C1157-H1170 PolarHBondContact SG-CE1 3.43Å; C1157-H1170 PolarHBondContact SG-NE2 2.96Å; H1159-H1170 VanDerWaalsContact CB-CE1 3.43Å; H1159-H1170 WeakPolarHBondContact CB-CE1 2.99Å; H1159-H1170 WeakPolarHBondContact CB-NE2 3.37Å; H1159-H1170 AromaticContact CD2-CD2 3.57Å; H1159-H1170 AromaticContact CD2-CG 3.4Å; H1159-H1170 VanDerWaalsContact CD2-CG 3.4Å; H1159-H1170 AromaticContact CD2-ND1 3.74Å; H1159-H1170 AromaticContact CD2-NE2 3.98Å; H1159-H1170 AromaticContact CG-CD2 3.98Å; H1159-H1170 AromaticContact CG-CE1 3.71Å; H1159-H1170 AromaticContact CG-CG 3.86Å; H1159-H1170 AromaticContact CG-ND1 3.72Å; H1159-H1170 AromaticContact CG-NE2 3.9Å; H1159-H1170 AromaticContact NE2-CG 3.99Å; E1166-H1170 WeakPolarHBondContact O-CB 3.46Å; E1166-H1170 PolarHBondContact O-N 3.34Å; F1167-H1170 PolarHBondContact O-N 3.37Å; H1170-G1172 PolarHBondContact O-N 2.96Å; H1170-E1173 IonicContact CE1-OE2 2.94Å; H1170-E1173 IonicContact CG-OE2 3.91Å; H1170-E1173 IonicContact ND1-OE2 3.14Å; H1170-E1173 PolarHBondContact ND1-OE2 3.34Å; H1170-E1173 WeakPolarHBondContact O-CB 3.48Å; H1170-E1173 PolarHBondContact O-N 3.46Å; H1170-H1176 AromaticContact CE1-CE1 3.18Å; H1170-H1176 PolarHBondContact CE1-CE1 3.31Å; H1170-H1176 AromaticContact CE1-ND1 3.72Å; H1170-H1176 AromaticContact NE2-CE1 3.15Å; H1170-H1176 PolarHBondContact NE2-CE1 3.08Å; H1170-H1176 AromaticContact NE2-ND1 3.74Å; H1170-H1176 AromaticContact NE2-NE2 3.56Å; H1170-H1176 PolarHBondContact O-ND1 3.12Å
1171	L	77.5	Confident	72.4	Confident	34 Å²	34	72.3 Å²	72.3	18%	0.178	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-16.3	168.5	-67.7	-171.5	0	0	0	113.2	F1145 F1167 F1168 H1176	F1145-L1171 HydrophobicContact CB-CD1 3.88Å; F1145-L1171 HydrophobicContact CB-CD2 4.08Å; F1145-L1171 HydrophobicContact CD1-CD1 4.27Å; F1145-L1171 HydrophobicContact CD1-CD2 3.63Å; F1145-L1171 HydrophobicContact CE1-CD2 4.47Å; F1145-L1171 HydrophobicContact CG-CD1 4.12Å; F1145-L1171 HydrophobicContact CG-CD2 4.19Å; F1167-L1171 HydrophobicContact CD1-CD1 4.19Å; F1167-L1171 HydrophobicContact CE1-CD1 3.45Å; F1167-L1171 VanDerWaalsContact CE1-CD1 3.45Å; F1167-L1171 HydrophobicContact CE1-CG 4.01Å; F1167-L1171 HydrophobicContact CE2-CD2 4.44Å; F1167-L1171 HydrophobicContact CE2-CG 4.34Å; F1167-L1171 HydrophobicContact CZ-CD1 3.65Å; F1167-L1171 HydrophobicContact CZ-CD2 4.11Å; F1167-L1171 HydrophobicContact CZ-CG 3.88Å; F1167-L1171 WeakPolarHBondContact O-CG 3.36Å; F1167-L1171 PolarHBondContact O-N 3.42Å; F1168-L1171 HydrophobicContact CD1-CD1 4.45Å; L1171-H1176 HydrophobicContact CD2-CB 4.5Å
1172	G	76.5	Confident	71.7	Confident	38 Å²	38	76.4 Å²	76.4	39%	0.392	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	6.8	171.7	0	0	0	0	0	114.8	F1168 T1169 H1170 Y1177	F1168-G1172 PolarHBondContact O-N 3.48Å; T1169-G1172 CarbonylContact O-C 3.59Å; T1169-G1172 VanDerWaalsContact O-CA 3.22Å; T1169-G1172 WeakPolarHBondContact O-CA 3.31Å; T1169-G1172 PolarHBondContact O-N 3.47Å; H1170-G1172 PolarHBondContact O-N 2.96Å; G1172-Y1177 WeakPolarHBondContact O-CE2 3.08Å
1173	E	77.2	Confident	71.3	Confident	105 Å²	105	72.6 Å²	72.6	49%	0.491	41%	0.407	S	S	.	.	S	Bend	trans	-87.9	151	173.3	-61.9	-179.9	132.4	0	0	111.7	T1169 H1170 A1175 H1176 Y1177	T1169-E1173 PolarHBondContact O-N 2.9Å; H1170-E1173 IonicContact CE1-OE2 2.94Å; H1170-E1173 IonicContact CG-OE2 3.91Å; H1170-E1173 IonicContact ND1-OE2 3.14Å; H1170-E1173 PolarHBondContact ND1-OE2 3.34Å; H1170-E1173 WeakPolarHBondContact O-CB 3.48Å; H1170-E1173 PolarHBondContact O-N 3.46Å; E1173-A1175 PolarHBondContact O-N 2.87Å; E1173-H1176 PolarHBondContact O-N 2.91Å; E1173-Y1177 WeakPolarHBondContact O-CD2 3.45Å
1174	E	52.3	Low	70.9	Confident	181 Å²	181	72.4 Å²	72.4	85%	0.846	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-54.9	-29.9	-173.2	-64.7	-164.6	147.3	0	0	114.2	H1176 Y1177	E1174-H1176 PolarHBondContact O-N 2.87Å; E1174-H1176 VanDerWaalsContact O-N 3.17Å; E1174-Y1177 PolarHBondContact O-N 3.08Å
1175	A	61.5	Low	70.6	Confident	68 Å²	68	74.4 Å²	74.4	56%	0.562	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-58.8	-24.7	175.9	0	0	0	0	0	114.2	E1173	E1173-A1175 PolarHBondContact O-N 2.87Å
1176	H	65.7	Low	70.1	Confident	10 Å²	10	72.8 Å²	72.8	5%	0.046	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-102	-5.9	-174.4	-65.3	88.4	0	0	0	114.2	C1154 R1156 C1157 H1170 L1171 E1173 E1174	C1154-H1176 VanDerWaalsContact SG-CD2 3.58Å; C1154-H1176 PolarHBondContact SG-NE2 3.29Å; R1156-H1176 PolarHBondContact NH1-O 3.05Å; C1157-H1176 VanDerWaalsContact SG-CE1 3.52Å; C1157-H1176 PolarHBondContact SG-NE2 2.88Å; C1157-H1176 VanDerWaalsContact SG-NE2 3.42Å; H1170-H1176 AromaticContact CE1-CE1 3.18Å; H1170-H1176 PolarHBondContact CE1-CE1 3.31Å; H1170-H1176 AromaticContact CE1-ND1 3.72Å; H1170-H1176 AromaticContact NE2-CE1 3.15Å; H1170-H1176 PolarHBondContact NE2-CE1 3.08Å; H1170-H1176 AromaticContact NE2-ND1 3.74Å; H1170-H1176 AromaticContact NE2-NE2 3.56Å; H1170-H1176 PolarHBondContact O-ND1 3.12Å; L1171-H1176 HydrophobicContact CD2-CB 4.5Å; E1173-H1176 PolarHBondContact O-N 2.91Å; E1174-H1176 PolarHBondContact O-N 2.87Å; E1174-H1176 VanDerWaalsContact O-N 3.17Å
1177	Y	57.8	Low	69.4	Low	119 Å²	119	72.5 Å²	72.5	47%	0.467	41%	0.406	S	S	.	.			trans	-84.8	-4	-174.2	-90.5	-73.3	0	0	0	116.5	V853 G1172 E1173 E1174	V853-Y1177 HydrophobicContact CG2-CE1 4.41Å; G1172-Y1177 WeakPolarHBondContact O-CE2 3.08Å; E1173-Y1177 WeakPolarHBondContact O-CD2 3.45Å; E1174-Y1177 PolarHBondContact O-N 3.08Å
1178	S	41.2	Very low	68.2	Low	135 Å²	135	78.8 Å²	78.8	94%	0.944	44%	0.442	S	S	*	.			trans	-88.3	0	-178	50.2	0	0	0	0	114.5	R1156	R1156-S1178 PolarHBondContact NH1-OXT 3.35Å; R1156-S1178 PolarHBondContact NH2-OG 3.03Å; R1156-S1178 PolarHBondContact NH2-OXT 3.33Å

Retrieved 1,178 of 1,178 residues in 1378.1 ms (Link to these results)

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