A0A3Q0KRF8_SCHMA Loading...

Putative gata binding factor

AlphaFold DB , UniProt , Accession A0A3Q0KRF8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,275 aa.

						>A0A3Q0KRF8_SCHMA|A0A3Q0KRF8
MFPMTAFPLNPVNCGRSSTDLIWSNTEALQNIGSALNCDNLSYINNNHNSSLSNQNSVNNNNTSSAILTSSSNFLSRPNYTCGLNQTYRSQENRIQPSYLNEDLSNQCNENIVTTITTTTNTTTSSSTPDCTVNSNNTDLHLSNEKSHMDTTNKSSTFDPIIKSESSLSLNKSPSSSSLCNTMKSDITNMINYENWSNDHRKRHKKTKLNSMNFIENKSIINNNNNSIATAATEKTPPPSIYINESMEDMIYNKVTTSLENEKNQSQFMKTNLVSKAKLSNTKQPPSQQQEQRQQQRQQQEEQQQQLSYPFNMLPTKVNDYTNQLLSNEYNDNHYNSLSINYSLKHNYSENIMNSMNDERDGDDDVDEEDEEEQVAYKTMISTSNHNDHGIIMNSTSIITATTTTTTTTTTTITTDTWNTSISSQYPTNILPQHLASFYSTCSNEIAFRKCLIFNNNHHQNMNIESTNYSTYNNNNSRQESDCRASSSPLPSILQTNLDLNSSSMLNRSEVDNFNKISSDEMKFDVNTNSNNELNEMNVSSKFNSPMQQQQQSQSRRINNDSLIQNDLDTCKAMHHNSNLPPPPPQQQQQHQRQRGFEDDQMIGDLSVAYHSAAAMAAAAVVAQAAVASVNVTNHQLEHQHHNHRHEQSIHQHQNQHQPSQYIDNEHSMLNTHMEQYGVHTNHHHHNDNGNDNVLHQSQYNMMNQNLGLFPLINNTNSLNNTQNINKTMKNKKLTMTEGRECVNCGATSTPLWRRDGQGNYLCNACGLYQKMNGQNRPLIKPKRRLQSSSRRTGTICSNCRTITTTLWRRNTNGEPVCNACGLYFKLHNIQRPISMKKDGIQTRNRKVSQKTKKHKFGFYSELSDLPVDYLMKTPLHRFGAAAAAAAVAANHFACTTRGSQAITPNSPNSMCNPYLTSYFSDNNINSNNTPTNNNNTLNEIKHKDMSRIEVDSSDETGQFTDVTKAFHATFGGLTNNNNNDNRHSNHFSLNSPHPTPIHPHHIDHLQQQYIQKHQSQSMNSMNFTNDPYTQHTTNLMNNQMNEKYSRYQKSNYISDLVYNQSSNNDQNTSNNAKCESLHMKPSNIIHHHQNQNQNHSPTDALIQWHAQLRSTPNQLDGNGSINFNSTSLYNNCQPITRLGCNNNGIVGGNCSSNSSSSSSSGGSITHSYYNHKNKMESDPIDNNNRSINNNHNNLIDSMNHSTIISSSSTSSERSVHGIDLLNRHKLKMCTDSLDSISPNSRGPIENGLYYHMNQTMDTIKHQQQQNHSDLRVFP
					

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	37.8	Very low	39.4	Very low	146 Å²	146	138.3 Å²	138.3	72%	0.719	77%	0.766	S	S	*	*				0	170.3	0	-64.5	77.5	100	0	0	108.2	N210	M1-N210 WeakPolarHBondContact CB-O 3.48Å; M1-N210 VanDerWaalsContact CE-O 3.25Å; M1-N210 WeakPolarHBondContact CE-O 3.12Å
2	F	33.9	Very low	39.6	Very low	117 Å²	117	137.3 Å²	137.3	51%	0.513	77%	0.766	S	S	.	*			cis	-79.1	157.1	16.2	-84.6	-124	0	0	0	115.5	T207	F2-T207 HydrophobicContact CD1-CG2 3.91Å; F2-T207 HydrophobicContact CD2-CG2 4.17Å; F2-T207 WeakPolarHBondContact CD2-O 3.35Å; F2-T207 HydrophobicContact CE1-CG2 4.07Å; F2-T207 HydrophobicContact CE2-CG2 4.35Å; F2-T207 HydrophobicContact CG-CG2 3.97Å; F2-T207 HydrophobicContact CZ-CG2 4.28Å
3	P	38.8	Very low	39.2	Very low	103 Å²	103	138.8 Å²	138.8	67%	0.669	77%	0.771	S	S	*	*			trans	-76.6	143.9	173.2	32.4	-34.4	0	0	0	111.7	T5	P3-T5 PolarHBondContact O-N 3.38Å
4	M	37.1	Very low	38.7	Very low	194 Å²	194	137.1 Å²	137.1	96%	0.956	77%	0.772	S	S	*	*			trans	-85.4	103.7	169.1	-77.9	-167.6	168.4	0	0	110.5	A6	M4-A6 PolarHBondContact O-N 3.15Å; M4-A6 VanDerWaalsContact O-N 3.07Å
5	T	42.9	Very low	38.2	Very low	124 Å²	124	132.7 Å²	132.7	76%	0.761	77%	0.77	S	S	*	*			trans	-67.9	100.3	162.4	39.8	0	0	0	0	109.1	P3 F7	P3-T5 PolarHBondContact O-N 3.38Å; T5-F7 PolarHBondContact O-N 2.82Å
6	A	42.9	Very low	38	Very low	91 Å²	91	139.4 Å²	139.4	75%	0.752	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-69.7	120.9	177.4	0	0	0	0	0	110.2	M4 P8	M4-A6 PolarHBondContact O-N 3.15Å; M4-A6 VanDerWaalsContact O-N 3.07Å; A6-P8 WeakPolarHBondContact O-CD 3.36Å
7	F	38.5	Very low	37.8	Very low	193 Å²	193	137.6 Å²	137.6	85%	0.846	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-64.2	121.4	169.6	-81.8	-94.2	0	0	0	109.9	T5 L9	T5-F7 PolarHBondContact O-N 2.82Å; F7-L9 PolarHBondContact O-N 2.85Å
8	P	44.1	Very low	37.5	Very low	116 Å²	116	137 Å²	137	75%	0.753	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-69.2	127.7	168.9	29.1	-32.4	0	0	0	109.1	A6 N10	A6-P8 WeakPolarHBondContact O-CD 3.36Å; P8-N10 PolarHBondContact O-N 3.46Å
9	L	40.5	Very low	37.6	Very low	170 Å²	170	135.6 Å²	135.6	89%	0.89	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-72.3	126.1	166.9	-72.5	171.1	0	0	0	108.4	F7	F7-L9 PolarHBondContact O-N 2.85Å
10	N	38.2	Very low	37.4	Very low	148 Å²	148	136 Å²	136	79%	0.791	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-52.3	127.1	179.6	-90.5	-27	0	0	0	111.5	P8 V12	P8-N10 PolarHBondContact O-N 3.46Å; N10-V12 PolarHBondContact O-N 2.75Å; N10-V12 VanDerWaalsContact O-N 3.08Å
11	P	39.2	Very low	37.1	Very low	119 Å²	119	138 Å²	138	77%	0.773	79%	0.785	S	S	*	*			trans	-70.1	104.9	169	29	-31.8	0	0	0	108.6	N13	P11-N13 PolarHBondContact O-N 3.13Å; P11-N13 VanDerWaalsContact O-N 3.16Å
12	V	41.4	Very low	37	Very low	127 Å²	127	138.5 Å²	138.5	77%	0.77	79%	0.789	S	S	*	*			trans	-63.4	118.7	173.3	176.1	0	0	0	0	108.5	N10 C14	N10-V12 PolarHBondContact O-N 2.75Å; N10-V12 VanDerWaalsContact O-N 3.08Å; V12-C14 PolarHBondContact O-N 2.71Å
13	N	34.4	Very low	36.7	Very low	156 Å²	156	145.3 Å²	145.3	83%	0.834	81%	0.811	S	S	*	*			trans	-67.1	121.4	-171.8	-147.3	-12.8	0	0	0	110.3	P11	P11-N13 PolarHBondContact O-N 3.13Å; P11-N13 VanDerWaalsContact O-N 3.16Å
14	C	32.6	Very low	36.6	Very low	115 Å²	115	144.9 Å²	144.9	78%	0.777	81%	0.81	S	S	*	*			trans	-138.9	51.2	180	-85.4	0	0	0	0	110.4	V12 R16	V12-C14 PolarHBondContact O-N 2.71Å; C14-R16 PolarHBondContact O-N 3.18Å
15	G	31.5	Very low	36.4	Very low	72 Å²	72	142.9 Å²	142.9	74%	0.742	80%	0.803	S	S	*	*			trans	-69.9	95	170.9	0	0	0	0	0	112
16	R	33.6	Very low	36.2	Very low	240 Å²	240	142.4 Å²	142.4	91%	0.906	80%	0.8	S	S	*	*			trans	-127.6	138.1	146.4	-89.5	-166.9	168.7	-154.7	-4	108.4	C14	C14-R16 PolarHBondContact O-N 3.18Å
17	S	35.5	Very low	35.7	Very low	109 Å²	109	146.8 Å²	146.8	76%	0.762	81%	0.806	S	S	*	*			trans	-67.8	151.5	-164.2	39.9	0	0	0	0	113.5
18	S	32.2	Very low	35.5	Very low	126 Å²	126	141.8 Å²	141.8	88%	0.881	80%	0.8	S	S	*	*			trans	-137.8	85.2	160.8	-66.2	0	0	0	0	107.6
19	T	39.3	Very low	35.2	Very low	110 Å²	110	144 Å²	144	68%	0.675	80%	0.804	S	S	*	*			trans	-115.9	137.9	158.4	57.9	0	0	0	0	104.3
20	D	34	Very low	35	Very low	144 Å²	144	143.1 Å²	143.1	77%	0.77	80%	0.796	S	S	*	*			cis	-129	160.8	20.9	-67.3	-76.1	0	0	0	113.5
21	L	31.6	Very low	34.8	Very low	179 Å²	179	142.9 Å²	142.9	94%	0.937	79%	0.794	S	S	*	*			trans	-147.1	65.7	175.6	-112.4	179.3	0	0	0	110.3
22	I	35.7	Very low	34.7	Very low	156 Å²	156	145.1 Å²	145.1	80%	0.8	80%	0.798	S	S	*	*			trans	-136.7	128	169.3	-55.1	180	0	0	0	108
23	W	27.3	Very low	34.4	Very low	260 Å²	260	141.9 Å²	141.9	99%	0.985	79%	0.791	S	S	*	*			trans	-134.2	102.6	172.6	-152.3	-20.6	0	0	0	107.8
24	S	36.7	Very low	34.5	Very low	93 Å²	93	140 Å²	140	65%	0.65	79%	0.79	S	S	*	*			trans	-147	96.8	-177.1	-64.9	0	0	0	0	111.4
25	N	32.3	Very low	34.5	Very low	152 Å²	152	139 Å²	139	81%	0.813	79%	0.789	S	S	*	*			trans	57	159.5	148.8	-62.8	0.1	0	0	0	123
26	T	38.7	Very low	34.7	Very low	114 Å²	114	143.9 Å²	143.9	70%	0.699	80%	0.798	S	S	*	*			trans	66.6	104.4	158.4	38.5	0	0	0	0	119.8
27	E	32.8	Very low	34.4	Very low	184 Å²	184	139.1 Å²	139.1	86%	0.86	79%	0.79	S	S	*	*				53.9	121.9	124	-62.6	164.2	-177.6	0	0	118.2
28	A	35.2	Very low	34.3	Very low	88 Å²	88	139.8 Å²	139.8	73%	0.727	79%	0.793	S	S	*	*				-168.8	176.6	54.5	0	0	0	0	0	112.8
29	L	37.1	Very low	34.2	Very low	161 Å²	161	139.9 Å²	139.9	84%	0.843	78%	0.784	S	S	*	*			trans	64.6	120	168.6	-56.9	178.8	0	0	0	117.7
30	Q	34.9	Very low	33.7	Very low	153 Å²	153	141.9 Å²	141.9	72%	0.715	79%	0.791	S	S	*	*			cis	157.2	142.8	-38.2	179.4	168.8	-6.8	0	0	108.4
31	N	35	Very low	33.5	Very low	143 Å²	143	142.7 Å²	142.7	77%	0.765	79%	0.794	S	S	*	*			trans	69.4	138	-176.7	-48.7	-39.1	0	0	0	113.6
32	I	38	Very low	33.4	Very low	165 Å²	165	139 Å²	139	85%	0.846	78%	0.783	S	S	*	*			cis	-133.7	133.5	3.3	-54.7	168.6	0	0	0	104.6
33	G	33.9	Very low	33	Very low	60 Å²	60	142.2 Å²	142.2	62%	0.619	79%	0.787	S	S	*	*				94.2	127.1	52.5	0	0	0	0	0	109.8
34	S	37.1	Very low	33.1	Very low	116 Å²	116	137.6 Å²	137.6	81%	0.811	78%	0.78	S	S	*	*			cis	-161.7	153.8	3.1	-64.7	0	0	0	0	111.8
35	A	33.1	Very low	32.8	Very low	93 Å²	93	139.8 Å²	139.8	77%	0.769	78%	0.784	S	S	*	*			trans	64.2	150.9	161.5	0	0	0	0	0	118.1
36	L	34.1	Very low	32.8	Very low	175 Å²	175	140 Å²	140	92%	0.916	79%	0.785	S	S	*	*			cis	-123	157.5	6.5	-74.7	163.2	0	0	0	111.9
37	N	28.9	Very low	32.4	Very low	140 Å²	140	141.6 Å²	141.6	75%	0.749	79%	0.789	S	S	*	*			trans	-136.6	145.2	169.2	-179.5	48.2	0	0	0	109.2
38	C	31.9	Very low	32.6	Very low	123 Å²	123	141.6 Å²	141.6	83%	0.831	79%	0.789	S	S	*	*			trans	-178.3	154.7	154.9	-98.3	0	0	0	0	111.6
39	D	30.3	Very low	32.5	Very low	128 Å²	128	144 Å²	144	68%	0.684	79%	0.79	S	S	*	*			trans	-95.9	176.5	-170.4	-60.4	-89.7	0	0	0	115.3
40	N	28.5	Very low	32.5	Very low	153 Å²	153	141.3 Å²	141.3	82%	0.818	78%	0.784	S	S	*	*			trans	82.4	163.4	160.9	-59.9	-63	0	0	0	119.4
41	L	31.5	Very low	32.5	Very low	160 Å²	160	138.3 Å²	138.3	84%	0.838	78%	0.78	S	S	*	*			trans	68.6	106.4	174.7	-52.4	174.4	0	0	0	114.5
42	S	28.7	Very low	32.6	Very low	101 Å²	101	139 Å²	139	71%	0.706	78%	0.783	S	S	*	*				71.6	119.3	62.4	80.3	0	0	0	0	114.8
43	Y	26.6	Very low	32.5	Very low	225 Å²	225	135.1 Å²	135.1	88%	0.882	77%	0.771	S	S	*	*			trans	9.4	118.7	153.8	-94.4	-94.3	0	0	0	118.5
44	I	29.7	Very low	32.5	Very low	162 Å²	162	138.8 Å²	138.8	83%	0.831	78%	0.776	S	S	*	*				169.5	153.3	124	-88.8	156.3	0	0	0	111.9
45	N	30.1	Very low	32.5	Very low	139 Å²	139	139.9 Å²	139.9	74%	0.743	77%	0.769	S	S	*	*			trans	-77.3	158.9	175	-84.3	-21.4	0	0	0	113.2
46	N	32.2	Very low	32.5	Very low	157 Å²	157	141.8 Å²	141.8	84%	0.84	77%	0.766	S	S	*	*				-177.6	166	111.3	-94.1	-38.3	0	0	0	115.8
47	N	31.6	Very low	32.3	Very low	147 Å²	147	138.4 Å²	138.4	79%	0.786	76%	0.756	S	S	*	*			trans	-91.4	154.4	-175.9	-64.8	-54.9	0	0	0	114.4
48	H	36.7	Very low	32.8	Very low	185 Å²	185	137.2 Å²	137.2	86%	0.856	75%	0.754	S	S	*	*			trans	-152.1	141.4	135.9	-100.8	-94	0	0	0	107.9
49	N	33.8	Very low	32.8	Very low	139 Å²	139	137.8 Å²	137.8	74%	0.743	75%	0.749	S	S	*	*			cis	123.3	154.7	-5.4	-165.9	17.7	0	0	0	112.9
50	S	36	Very low	33.1	Very low	103 Å²	103	138.1 Å²	138.1	72%	0.72	75%	0.751	S	S	*	*			trans	80.6	145.7	-179.1	83.3	0	0	0	0	116.9
51	S	35.9	Very low	33.2	Very low	91 Å²	91	136.9 Å²	136.9	64%	0.636	74%	0.744	S	S	*	*			cis	-169	172.5	-15.4	45.5	0	0	0	0	113.9
52	L	35.2	Very low	33.3	Very low	157 Å²	157	136.1 Å²	136.1	82%	0.822	74%	0.741	S	S	*	*			trans	77.4	148.6	164.2	-58.8	131.1	0	0	0	119.1
53	S	36.1	Very low	33.6	Very low	83 Å²	83	136.9 Å²	136.9	58%	0.58	74%	0.742	S	S	*	*			cis	-178.1	158.3	-36.9	51.7	0	0	0	0	111.2
54	N	33.8	Very low	33.9	Very low	137 Å²	137	130.9 Å²	130.9	73%	0.733	73%	0.733	S	S	*	*			trans	70.1	147.7	159.2	-73.6	-15.6	0	0	0	118.9
55	Q	37.1	Very low	34.1	Very low	140 Å²	140	129 Å²	129	65%	0.654	73%	0.733	S	S	*	*			cis	-167.2	158.9	-21.2	-132.3	179.3	60.7	0	0	111.6
56	N	33.3	Very low	34.1	Very low	133 Å²	133	125.8 Å²	125.8	71%	0.711	73%	0.727	S	S	*	*			trans	67.5	161	157	-55.7	-30.1	0	0	0	120.1
57	S	31.3	Very low	34	Very low	103 Å²	103	125.4 Å²	125.4	72%	0.72	72%	0.723	S	S	*	*			cis	-173.6	-179.1	-36.4	-168.6	0	0	0	0	110.1
58	V	37.8	Very low	33.8	Very low	116 Å²	116	125.8 Å²	125.8	70%	0.703	72%	0.724	S	S	*	*			trans	83.2	88.5	160.6	-165.2	0	0	0	0	120
59	N	33.6	Very low	33.5	Very low	134 Å²	134	122.6 Å²	122.6	72%	0.717	72%	0.718	S	S	*	*				55.4	153.1	119.3	-61.9	-5.1	0	0	0	125.6
60	N	34.8	Very low	33.2	Very low	136 Å²	136	120.6 Å²	120.6	73%	0.727	72%	0.715	S	S	*	*			trans	78.9	149.4	155.3	-65.7	-27.9	0	0	0	118.6
61	N	32	Very low	32.8	Very low	126 Å²	126	121.1 Å²	121.1	67%	0.674	72%	0.718	S	S	*	*			cis	175.5	158.9	-38.2	-108.6	-34.9	0	0	0	106.3
62	N	33.3	Very low	32.7	Very low	145 Å²	145	121.6 Å²	121.6	78%	0.775	72%	0.722	S	S	*	*			trans	68.8	149	169.7	-53.2	-21.8	0	0	0	115.9
63	T	35.2	Very low	32.4	Very low	117 Å²	117	120.7 Å²	120.7	72%	0.718	72%	0.718	S	S	*	*			cis	-157.7	147.3	-15.5	14.6	0	0	0	0	110.7
64	S	33.3	Very low	32	Very low	99 Å²	99	125.5 Å²	125.5	69%	0.692	73%	0.729	S	S	*	*			trans	41.9	122.1	135.5	-49.9	0	0	0	0	122.9
65	S	33.1	Very low	31.8	Very low	121 Å²	121	126.1 Å²	126.1	85%	0.846	73%	0.731	S	S	*	*				74.7	157.9	128.8	-61.1	0	0	0	0	120.5
66	A	30.7	Very low	31.7	Very low	73 Å²	73	125 Å²	125	60%	0.603	74%	0.739	S	S	*	*			cis	-171.9	-179.8	-27.6	0	0	0	0	0	108.5
67	I	30.3	Very low	31.5	Very low	149 Å²	149	127.6 Å²	127.6	76%	0.764	74%	0.738	S	S	*	*			trans	70.8	109.7	160.4	-61.5	157.4	0	0	0	113.3
68	L	27.4	Very low	31.8	Very low	154 Å²	154	128.2 Å²	128.2	81%	0.806	74%	0.74	S	S	*	*				60.8	136.2	81.7	-59.4	164.5	0	0	0	112
69	T	30.7	Very low	31.3	Very low	118 Å²	118	126.8 Å²	126.8	72%	0.724	73%	0.729	S	S	*	*			cis	-151.3	146.1	25.4	48.8	0	0	0	0	114.5
70	S	26.7	Very low	31.3	Very low	98 Å²	98	130.7 Å²	130.7	69%	0.685	74%	0.735	S	S	*	*			trans	46.3	129.9	141.2	66.9	0	0	0	0	124.6
71	S	28.4	Very low	31	Very low	113 Å²	113	129.7 Å²	129.7	79%	0.79	73%	0.733	S	S	*	*			trans	68.3	109.3	141.3	-55.6	0	0	0	0	119
72	S	31.9	Very low	30.7	Very low	101 Å²	101	130.4 Å²	130.4	71%	0.706	75%	0.747	S	S	*	*				-178.8	153.5	69.6	48	0	0	0	0	114.7
73	N	28.9	Very low	30.5	Very low	138 Å²	138	127 Å²	127	74%	0.738	75%	0.746	S	S	*	*			trans	61.7	146.8	147.4	-61.5	-21.9	0	0	0	124.3
74	F	28.4	Very low	30.2	Very low	185 Å²	185	128.9 Å²	128.9	81%	0.811	75%	0.751	S	S	*	*			trans	71.9	130.6	154.4	-70.8	-59.2	0	0	0	123
75	L	29.6	Very low	29.9	Very low	150 Å²	150	130 Å²	130	79%	0.785	75%	0.75	S	S	*	*			trans	57	121.9	144.7	-59.4	166.6	0	0	0	118.4
76	S	35.7	Very low	29.7	Very low	116 Å²	116	133 Å²	133	81%	0.811	75%	0.75	S	S	*	*				-160.7	157.7	71.7	-72	0	0	0	0	115
77	R	27.6	Very low	29.6	Very low	187 Å²	187	134.2 Å²	134.2	71%	0.706	75%	0.75	S	S	*	*			trans	-86.5	155.2	168.2	-60.8	155.2	69.6	157.4	4.9	109.7	N79	R77-N79 VanDerWaalsContact CZ-ND2 3.33Å; R77-N79 PolarHBondContact NE-ND2 3.4Å; R77-N79 PolarHBondContact NE-OD1 2.92Å; R77-N79 PolarHBondContact NH2-ND2 3.33Å; R77-N79 VanDerWaalsContact NH2-ND2 3.19Å; R77-N79 PolarHBondContact NH2-OD1 2.9Å
78	P	37.8	Very low	29.6	Very low	117 Å²	117	137.5 Å²	137.5	76%	0.76	75%	0.754	S	S	*	*			trans	-89.4	111.8	142.3	31.2	-26.2	0	0	0	109.6
79	N	28.5	Very low	29.7	Very low	86 Å²	86	140.4 Å²	140.4	46%	0.46	76%	0.755	S	S	.	*			trans	-106.8	108.2	165.2	-91.9	0.1	0	0	0	108.3	R77	R77-N79 VanDerWaalsContact CZ-ND2 3.33Å; R77-N79 PolarHBondContact NE-ND2 3.4Å; R77-N79 PolarHBondContact NE-OD1 2.92Å; R77-N79 PolarHBondContact NH2-ND2 3.33Å; R77-N79 VanDerWaalsContact NH2-ND2 3.19Å; R77-N79 PolarHBondContact NH2-OD1 2.9Å
80	Y	33.1	Very low	29.7	Very low	216 Å²	216	138.7 Å²	138.7	85%	0.847	75%	0.747	S	S	*	*			trans	-148.5	117	161.3	-61	-74.1	0	0	0	106.1
81	T	29.1	Very low	30.2	Very low	114 Å²	114	142 Å²	142	70%	0.699	75%	0.752	S	S	*	*			cis	77.1	130.2	22.7	83.2	0	0	0	0	116.4
82	C	24.4	Very low	30.5	Very low	142 Å²	142	144 Å²	144	96%	0.959	75%	0.749	S	S	*	*			trans	70.2	152.3	177	-150.8	0	0	0	0	116.4
83	G	30	Very low	30.6	Very low	74 Å²	74	145 Å²	145	76%	0.763	75%	0.746	S	S	*	*			trans	139.6	72	179.3	0	0	0	0	0	114.9
84	L	28.2	Very low	30.7	Very low	156 Å²	156	148 Å²	148	82%	0.817	75%	0.747	S	S	*	*			trans	-78.9	154.3	171.8	-93.1	162.2	0	0	0	112.4
85	N	27.5	Very low	31.1	Very low	123 Å²	123	145.9 Å²	145.9	66%	0.658	74%	0.743	S	S	*	*			trans	57.1	122.6	156.8	-70.6	-40.2	0	0	0	120.2
86	Q	29.6	Very low	31.2	Very low	184 Å²	184	147 Å²	147	86%	0.86	74%	0.744	S	S	*	*				-168.6	97.5	107.4	-98.1	162	57.7	0	0	109.3
87	T	28.9	Very low	31.4	Very low	97 Å²	97	146.1 Å²	146.1	60%	0.595	74%	0.736	S	S	*	*				69.6	106.7	90.3	57.8	0	0	0	0	115.8
88	Y	29.7	Very low	31.7	Very low	218 Å²	218	142.6 Å²	142.6	86%	0.855	74%	0.739	S	S	*	*				-159.3	105.7	116.5	-105.6	-83.9	0	0	0	105.6
89	R	28.8	Very low	31.3	Very low	216 Å²	216	146.6 Å²	146.6	82%	0.815	74%	0.741	S	S	*	*				58.8	134.1	88.3	-81.5	-167.2	170.7	-166.6	-2.7	113.3
90	S	31.9	Very low	31.5	Very low	82 Å²	82	148.9 Å²	148.9	57%	0.573	75%	0.752	S	S	*	*			cis	-160.6	172	9.6	-124.1	0	0	0	0	113.9
91	Q	36.8	Very low	31.2	Very low	167 Å²	167	143.5 Å²	143.5	78%	0.78	74%	0.738	S	S	*	*			trans	74.3	116.5	167.7	-67.8	160.3	-3.5	0	0	115.9
92	E	34.4	Very low	31.5	Very low	154 Å²	154	145.7 Å²	145.7	72%	0.72	74%	0.74	S	S	*	*				80.6	140.8	51.3	-69.7	174.5	-122.6	0	0	112.5
93	N	33.2	Very low	31.6	Very low	124 Å²	124	145.2 Å²	145.2	66%	0.663	73%	0.729	S	S	*	*			cis	-156.5	-178.8	3.2	-122.5	-37.6	0	0	0	108.5
94	R	32.6	Very low	31.8	Very low	201 Å²	201	148.7 Å²	148.7	76%	0.758	73%	0.729	S	S	*	*			cis	-162.8	164.8	9.2	-137.3	179.6	-174.5	-155.8	1.2	109.3
95	I	35.3	Very low	31.9	Very low	140 Å²	140	145.1 Å²	145.1	72%	0.718	72%	0.717	S	S	*	*			trans	67.6	142.5	152.8	-67.7	160.2	0	0	0	118.9
96	Q	32.8	Very low	32	Very low	174 Å²	174	144.7 Å²	144.7	81%	0.813	72%	0.715	S	S	*	*				-170.6	160.9	-51.9	-100.2	-93.9	-35.2	0	0	109.2
97	P	38.6	Very low	32.1	Very low	97 Å²	97	143.1 Å²	143.1	63%	0.63	71%	0.707	S	S	*	*			trans	-122.2	174.3	-165	42.5	-29.8	0	0	0	116.1
98	S	34	Very low	32	Very low	112 Å²	112	140.5 Å²	140.5	78%	0.783	69%	0.693	S	S	*	*			trans	-164.8	158.1	164.5	54.1	0	0	0	0	112.4
99	Y	30.7	Very low	32	Very low	201 Å²	201	137.7 Å²	137.7	79%	0.788	69%	0.692	S	S	*	*			cis	-155.4	158.8	-35.9	-122.3	-90.5	0	0	0	107.4
100	L	31.3	Very low	32.1	Very low	135 Å²	135	135 Å²	135	71%	0.707	69%	0.689	S	S	*	*			trans	-12.4	167.8	162.2	-57.1	179.6	0	0	0	120.7
101	N	28.6	Very low	32	Very low	102 Å²	102	137.6 Å²	137.6	55%	0.545	70%	0.696	S	S	.	*			cis	-168	175.3	17.2	-134.5	5.5	0	0	0	113.6
102	E	33.6	Very low	31.6	Very low	160 Å²	160	137.9 Å²	137.9	75%	0.748	70%	0.701	S	S	*	*			trans	54.2	160.1	142.3	-71.7	152.6	165.8	0	0	122.4
103	D	28.2	Very low	31.4	Very low	133 Å²	133	136.3 Å²	136.3	71%	0.711	70%	0.702	S	S	*	*			cis	-168.2	166	-44.1	-140.5	-31	0	0	0	110.2
104	L	32.9	Very low	31.3	Very low	146 Å²	146	136.1 Å²	136.1	76%	0.764	71%	0.705	S	S	*	*			trans	58.2	179.4	170	-84	70.6	0	0	0	118
105	S	30.1	Very low	31.1	Very low	82 Å²	82	132.5 Å²	132.5	57%	0.573	71%	0.706	S	S	*	*				-167.8	135.4	-62.6	62.1	0	0	0	0	113.5
106	N	29.9	Very low	30.7	Very low	113 Å²	113	132.9 Å²	132.9	60%	0.604	71%	0.708	S	S	*	*			trans	67.7	144.9	152.5	-55.5	-18.8	0	0	0	123.3
107	Q	32.6	Very low	30.6	Very low	152 Å²	152	130.5 Å²	130.5	71%	0.71	71%	0.706	S	S	*	*			trans	113.6	151.9	133.8	-148.8	151.5	73.3	0	0	120.7
108	C	26	Very low	30.2	Very low	42 Å²	42	131.6 Å²	131.6	28%	0.284	71%	0.71	S	S	.	*			trans	-71.1	154.7	-165.4	-51.1	0	0	0	0	117.2	T1210 S1211	C108-T1210 PolarHBondContact SG-OG1 2.73Å; C108-T1210 VanDerWaalsContact SG-OG1 3.39Å; C108-S1211 WeakPolarHBondContact SG-CB 2.92Å; C108-S1211 PolarHBondContact SG-N 3.13Å; C108-S1211 PolarHBondContact SG-OG 2.94Å
109	N	29.6	Very low	30.1	Very low	158 Å²	158	132 Å²	132	85%	0.845	71%	0.709	S	S	*	*				-169.5	158.6	98.8	-101.6	-8.2	0	0	0	114.2
110	E	31.7	Very low	30.2	Very low	160 Å²	160	128 Å²	128	75%	0.748	71%	0.705	S	S	*	*			trans	-90.9	168.9	171.4	-57.7	-169.6	146.2	0	0	112.4
111	N	30	Very low	30.2	Very low	137 Å²	137	128 Å²	128	73%	0.733	71%	0.706	S	S	*	*			trans	48.4	109.3	146.4	-62.2	-34.9	0	0	0	119.4
112	I	28.4	Very low	30.4	Very low	172 Å²	172	128.8 Å²	128.8	88%	0.882	71%	0.714	S	S	*	*				-155.6	151.7	128.1	-111	159.5	0	0	0	110.8
113	V	30.2	Very low	30.4	Very low	121 Å²	121	126.8 Å²	126.8	73%	0.733	71%	0.713	S	S	*	*			trans	-114.2	157.7	-179.9	177.3	0	0	0	0	108.8
114	T	29.5	Very low	30.7	Very low	120 Å²	120	126.3 Å²	126.3	74%	0.736	72%	0.716	S	S	*	*			trans	71.7	109.1	164.8	29.9	0	0	0	0	120.2
115	T	28.8	Very low	30.8	Very low	126 Å²	126	124.8 Å²	124.8	77%	0.773	72%	0.717	S	S	*	*				85.4	156.6	126.9	-35.9	0	0	0	0	120.4
116	I	27.7	Very low	31	Very low	147 Å²	147	125.9 Å²	125.9	75%	0.754	73%	0.725	S	S	*	*			trans	84.9	97.1	166.6	-49.5	-174.1	0	0	0	116.3
117	T	29.6	Very low	31.4	Very low	125 Å²	125	124.9 Å²	124.9	77%	0.767	73%	0.726	S	S	*	*			trans	-65.4	151.2	155.1	-35.8	0	0	0	0	110.4
118	T	30.4	Very low	31.5	Very low	119 Å²	119	123.1 Å²	123.1	73%	0.73	73%	0.726	S	S	*	*			trans	82.5	129.8	170	58	0	0	0	0	120.7
119	T	32.3	Very low	32.3	Very low	122 Å²	122	126.4 Å²	126.4	75%	0.748	75%	0.747	S	S	*	*			trans	81.3	108.4	152.3	38.9	0	0	0	0	123.3
120	T	33	Very low	32.5	Very low	115 Å²	115	125.7 Å²	125.7	71%	0.706	74%	0.743	S	S	*	*			trans	83.2	110.7	134.2	49.9	0	0	0	0	123.9
121	N	30	Very low	32.3	Very low	137 Å²	137	122.9 Å²	122.9	73%	0.733	74%	0.74	S	S	*	*				100.3	104.8	126.4	-64	3.5	0	0	0	123.6
122	T	32.8	Very low	32.4	Very low	117 Å²	117	122.2 Å²	122.2	72%	0.718	74%	0.741	S	S	*	*				78.5	108.2	126.3	57.1	0	0	0	0	125.2
123	T	34.2	Very low	32.5	Very low	119 Å²	119	120.7 Å²	120.7	73%	0.73	74%	0.74	S	S	*	*				81.3	104.9	123.9	57.9	0	0	0	0	126.2
124	T	35.3	Very low	32.4	Very low	123 Å²	123	121.1 Å²	121.1	76%	0.755	74%	0.738	S	S	*	*				73.8	130.3	123.8	58.1	0	0	0	0	127.2
125	S	34.5	Very low	32.4	Very low	114 Å²	114	119 Å²	119	80%	0.797	73%	0.727	S	S	*	*			trans	73.2	154.1	144.3	48.6	0	0	0	0	123.3
126	S	35.3	Very low	32.4	Very low	105 Å²	105	119.5 Å²	119.5	73%	0.734	73%	0.726	S	S	*	*			cis	-173.1	166.1	-24.8	61.3	0	0	0	0	115.7
127	S	36.8	Very low	32.4	Very low	91 Å²	91	118.9 Å²	118.9	64%	0.636	72%	0.724	S	S	*	*			trans	64.3	98.3	142.9	59.5	0	0	0	0	126.1
128	T	34.7	Very low	32.5	Very low	116 Å²	116	118.8 Å²	118.8	71%	0.712	72%	0.723	S	S	*	*				44.7	161.5	117.1	60	0	0	0	0	124.7
129	P	44.3	Very low	32.3	Very low	110 Å²	110	119.7 Å²	119.7	71%	0.714	72%	0.724	S	S	*	*			cis	-143.5	-162.9	-42.9	43.9	-24.5	0	0	0	115.2
130	D	32.6	Very low	32.1	Very low	144 Å²	144	121.5 Å²	121.5	77%	0.77	73%	0.728	S	S	*	*			trans	111.3	123.9	145.7	-104.9	-15.8	0	0	0	125.2
131	C	28.3	Very low	32.1	Very low	100 Å²	100	123.1 Å²	123.1	68%	0.676	73%	0.727	S	S	*	*			trans	74.2	133.8	141.5	-78.7	0	0	0	0	128.6
132	T	31.6	Very low	32.3	Very low	123 Å²	123	123.5 Å²	123.5	76%	0.755	73%	0.728	S	S	*	*			trans	84.7	125.1	140	46.3	0	0	0	0	126.2
133	V	29.8	Very low	32.4	Very low	141 Å²	141	121.6 Å²	121.6	86%	0.855	72%	0.72	S	S	*	*			trans	71.9	152.1	134.8	168.5	0	0	0	0	119.4
134	N	28.2	Very low	32.1	Very low	129 Å²	129	119.8 Å²	119.8	69%	0.69	71%	0.706	S	S	*	*			cis	-173.5	144	-35.5	-177.7	34.2	0	0	0	110.8
135	S	30	Very low	32	Very low	75 Å²	75	120.9 Å²	120.9	52%	0.524	70%	0.702	S	S	.	*			trans	65.3	157.4	152.4	63.6	0	0	0	0	122.4
136	N	28.5	Very low	32	Very low	138 Å²	138	122.7 Å²	122.7	74%	0.738	70%	0.696	S	S	*	*			trans	73.4	152.1	159.3	-58	-24	0	0	0	117.8
137	N	27.6	Very low	31.8	Very low	133 Å²	133	122.2 Å²	122.2	71%	0.711	69%	0.693	S	S	*	*			cis	-173.4	177.5	-34.7	-118.2	12	0	0	0	107
138	T	31.4	Very low	31.5	Very low	124 Å²	124	125.6 Å²	125.6	76%	0.761	70%	0.698	S	S	*	*			trans	67.4	149.1	173.4	64.4	0	0	0	0	116.6
139	D	27.4	Very low	31.2	Very low	138 Å²	138	126.9 Å²	126.9	74%	0.738	70%	0.698	S	S	*	*			cis	144.1	150	-20.9	-95.4	-53.5	0	0	0	108.7
140	L	28.3	Very low	30.6	Very low	159 Å²	159	127.7 Å²	127.7	83%	0.832	70%	0.696	S	S	*	*			trans	70.7	161.2	167.2	-58.3	154.5	0	0	0	118.9
141	H	32.7	Very low	30.4	Very low	150 Å²	150	125.9 Å²	125.9	69%	0.694	69%	0.69	S	S	*	*			cis	-179.1	163.4	-43.2	-153.4	-77	0	0	0	108.8
142	L	33.4	Very low	30.5	Very low	144 Å²	144	124 Å²	124	75%	0.754	68%	0.676	S	S	*	*			trans	63.4	161.9	166.3	-75.6	118	0	0	0	115.9
143	S	34.9	Very low	30.4	Very low	77 Å²	77	122.7 Å²	122.7	54%	0.538	66%	0.664	S	S	.	*			cis	-169.2	161.1	-35.8	57.2	0	0	0	0	110.2
144	N	29.2	Very low	30.4	Very low	82 Å²	82	123.4 Å²	123.4	44%	0.439	66%	0.656	S	S	.	*				166.3	131.8	127.3	-80.6	-4.3	0	0	0	107.2
145	E	33.4	Very low	30.5	Very low	145 Å²	145	120.8 Å²	120.8	68%	0.678	65%	0.647	S	S	*	*				51.7	133	70	-66.3	-144.6	117.4	0	0	111.9
146	K	33.1	Very low	30.6	Very low	153 Å²	153	122.3 Å²	122.3	67%	0.665	66%	0.658	S	S	*	*			cis	-153.5	175.2	20.6	-126.1	160.6	177.9	74.7	0	105.6
147	S	31.8	Very low	30.8	Very low	95 Å²	95	120.7 Å²	120.7	66%	0.664	65%	0.654	S	S	*	*			cis	-168.5	168	20.4	46.6	0	0	0	0	110.8
148	H	30.3	Very low	31	Very low	162 Å²	162	122.6 Å²	122.6	75%	0.75	66%	0.656	S	S	*	*			trans	25.1	144.3	133.9	-71	-103.6	0	0	0	121.3
149	M	28.4	Very low	31.1	Very low	143 Å²	143	123.4 Å²	123.4	70%	0.704	66%	0.655	S	S	*	*			cis	-174.6	-170.5	-10	-119.9	-55.4	-166.9	0	0	108.7
150	D	30.9	Very low	31.5	Very low	126 Å²	126	121.8 Å²	121.8	67%	0.674	65%	0.652	S	S	*	*			trans	70.6	104.2	149.1	-60.6	-25.4	0	0	0	120.6
151	T	28.7	Very low	31.4	Very low	106 Å²	106	121.1 Å²	121.1	65%	0.65	65%	0.648	S	S	*	*				32.9	140.3	116.2	61.4	0	0	0	0	120
152	T	30.3	Very low	31.2	Very low	62 Å²	62	120.9 Å²	120.9	38%	0.38	65%	0.65	S	S	.	*			cis	-168.8	155.6	27.9	-11.8	0	0	0	0	113.9	T404	T152-T404 WeakPolarHBondContact OG1-CG2 2.76Å
153	N	29.3	Very low	31	Very low	95 Å²	95	120.7 Å²	120.7	51%	0.508	64%	0.643	S	S	.	*			trans	50.5	127.8	142.9	-78	-27.5	0	0	0	122.7	T403	N153-T403 WeakPolarHBondContact O-CG2 3.45Å
154	K	30.4	Very low	30.7	Very low	156 Å²	156	121.3 Å²	121.3	68%	0.678	65%	0.648	S	S	*	*				55.2	139.8	128.1	-62.4	-178.2	-177.9	-178.7	0	119.7	T403	K154-T403 WeakPolarHBondContact O-CG2 3.28Å
155	S	30.8	Very low	30.7	Very low	73 Å²	73	122.7 Å²	122.7	51%	0.51	65%	0.652	S	S	.	*			cis	-179.1	167.6	-0.8	46.3	0	0	0	0	110.8
156	S	31.9	Very low	30.5	Very low	108 Å²	108	121.5 Å²	121.5	76%	0.755	66%	0.659	S	S	*	*			trans	77.2	143.9	157.8	94.4	0	0	0	0	115.4
157	T	31.7	Very low	30.3	Very low	104 Å²	104	118.7 Å²	118.7	64%	0.638	66%	0.659	S	S	*	*			cis	-154.5	170.1	-5.2	-34.2	0	0	0	0	110
158	F	33	Very low	30.1	Very low	173 Å²	173	121.9 Å²	121.9	76%	0.759	67%	0.668	S	S	*	*			trans	72.5	93	164.5	-63.4	-66.4	0	0	0	118.6
159	D	33	Very low	30	Very low	141 Å²	141	118.9 Å²	118.9	75%	0.754	67%	0.665	S	S	*	*				42.9	153.8	100.9	-65.5	-41.4	0	0	0	121.4
160	P	36	Very low	30.1	Very low	103 Å²	103	118.9 Å²	118.9	67%	0.669	67%	0.667	S	S	*	*			cis	-130.8	-155.9	-0.9	23.1	3.4	0	0	0	112.7
161	I	27.2	Very low	30	Very low	145 Å²	145	119.4 Å²	119.4	74%	0.744	67%	0.67	S	S	*	*			trans	92.2	102.7	151.6	-61.6	174	0	0	0	118.4
162	I	28	Very low	30.2	Very low	145 Å²	145	123.8 Å²	123.8	74%	0.744	68%	0.68	S	S	*	*			trans	87.8	130.9	138	-75	176.4	0	0	0	122.6
163	K	29.5	Very low	30.3	Very low	140 Å²	140	125.7 Å²	125.7	61%	0.609	70%	0.696	S	S	*	*			trans	51	100.2	155.9	-74.4	171.3	-179.3	-175.4	0	121	D569	K163-D569 IonicContact NZ-OD2 3.73Å; K163-D569 PolarHBondContact NZ-OD2 3.1Å
164	S	28.5	Very low	30.6	Very low	90 Å²	90	126.8 Å²	126.8	63%	0.629	71%	0.708	S	S	*	*				11.1	128.1	119.1	60.3	0	0	0	0	120.4
165	E	28.1	Very low	30.7	Very low	111 Å²	111	124.8 Å²	124.8	52%	0.519	71%	0.714	S	S	.	*				-176.5	149	105.3	-97.7	171.1	-130.8	0	0	111.7	K345	E165-K345 IonicContact OE1-NZ 3.74Å; E165-K345 PolarHBondContact OE1-NZ 2.97Å
166	S	29	Very low	30.5	Very low	120 Å²	120	126.3 Å²	126.3	84%	0.839	72%	0.724	S	S	*	*			trans	67.7	154	175.7	90.2	0	0	0	0	116.4
167	S	28.9	Very low	30.5	Very low	94 Å²	94	127 Å²	127	66%	0.657	73%	0.729	S	S	*	*			cis	-156.5	159.2	-7	42.2	0	0	0	0	112.2
168	L	27.5	Very low	30.6	Very low	163 Å²	163	126.5 Å²	126.5	85%	0.853	73%	0.73	S	S	*	*			trans	48	111.4	152.2	-62.8	162.3	0	0	0	118.2
169	S	28.6	Very low	30.7	Very low	99 Å²	99	125 Å²	125	69%	0.692	73%	0.729	S	S	*	*				167.7	163	65.9	51.7	0	0	0	0	114.5
170	L	30.5	Very low	30.5	Very low	142 Å²	142	122.1 Å²	122.1	74%	0.743	72%	0.719	S	S	*	*			trans	72.5	110.8	152.1	-68.8	155.6	0	0	0	122.8
171	N	29.1	Very low	30.1	Very low	138 Å²	138	124.3 Å²	124.3	74%	0.738	73%	0.725	S	S	*	*			trans	84.5	93	135.3	-59.1	-20.7	0	0	0	123.1
172	K	33	Very low	30.5	Very low	198 Å²	198	122.8 Å²	122.8	86%	0.861	72%	0.723	S	S	*	*				168.3	124.2	108.1	-91.4	172.7	179.9	-178.5	0	114.8
173	S	32.9	Very low	30.7	Very low	102 Å²	102	121.4 Å²	121.4	71%	0.713	71%	0.714	S	S	*	*			trans	23.3	160	139.2	60.8	0	0	0	0	124.2
174	P	34.8	Very low	31.2	Very low	118 Å²	118	124.4 Å²	124.4	77%	0.766	73%	0.727	S	S	*	*			cis	-147.3	124.7	-34.3	38	-17.2	0	0	0	116.9
175	S	32.3	Very low	31.8	Very low	113 Å²	113	123.2 Å²	123.2	79%	0.79	72%	0.719	S	S	*	*			trans	-169	143.9	167.3	43.1	0	0	0	0	109
176	S	28.2	Very low	32.5	Very low	105 Å²	105	122.2 Å²	122.2	73%	0.734	72%	0.717	S	S	*	*			cis	100.9	116.9	26.5	77.5	0	0	0	0	113.9
177	S	30.9	Very low	33.3	Very low	124 Å²	124	121 Å²	121	87%	0.867	70%	0.701	S	S	*	*			trans	69.3	154.9	-173.8	85.7	0	0	0	0	114.7
178	S	33.4	Very low	34.2	Very low	93 Å²	93	120.4 Å²	120.4	65%	0.65	69%	0.693	S	S	*	*			cis	-152.6	148.9	-18.2	50.6	0	0	0	0	107.2
179	L	34.9	Very low	35	Very low	142 Å²	142	117.6 Å²	117.6	74%	0.743	68%	0.679	S	S	*	*				173.9	128.7	85.4	-84.1	150.7	0	0	0	105.1
180	C	28.6	Very low	35.6	Very low	79 Å²	79	119 Å²	119	53%	0.534	68%	0.676	S	S	.	*			cis	86.2	25.7	16.5	-138.3	0	0	0	0	117.8	T182 M183	C180-T182 PolarHBondContact O-N 2.92Å; C180-M183 PolarHBondContact SG-SD 3.15Å
181	N	29.3	Very low	36.6	Very low	149 Å²	149	116.5 Å²	116.5	80%	0.797	66%	0.662	S	S	*	*	S	Bend	trans	-79.2	40.9	171	-71.4	-14.1	0	0	0	114
182	T	34.8	Very low	37.4	Very low	113 Å²	113	114.6 Å²	114.6	69%	0.693	65%	0.652	S	S	*	*			trans	-155.9	42.3	179.2	-30.9	0	0	0	0	114	C180	C180-T182 PolarHBondContact O-N 2.92Å
183	M	32.3	Very low	37.8	Very low	116 Å²	116	113 Å²	113	57%	0.571	64%	0.642	S	S	*	*			trans	-132.6	29.8	-177.7	-71.9	-162.4	177.7	0	0	115.9	C180 I187	C180-M183 PolarHBondContact SG-SD 3.15Å; M183-I187 VanDerWaalsContact O-CD1 3.29Å; M183-I187 WeakPolarHBondContact O-CD1 3.37Å
184	K	39.4	Very low	38.4	Very low	203 Å²	203	114 Å²	114	88%	0.883	64%	0.636	S	S	*	*	S	Bend	trans	-100.8	-10	169.6	-79.9	-172.3	169.3	179.7	0	115.1
185	S	40.3	Very low	38.9	Very low	66 Å²	66	113 Å²	113	46%	0.462	62%	0.624	S	S	.	*	S	Bend	trans	-85.4	-39	170	46.2	0	0	0	0	113	N189	S185-N189 PolarHBondContact O-ND2 2.85Å
186	D	43.2	Very low	39.3	Very low	89 Å²	89	115.7 Å²	115.7	48%	0.476	62%	0.617	S	S	.	*	H	α-helix	trans	-87.6	-27.8	-159.6	-67.1	14	0	0	0	112.7	T188 N189 M190	D186-T188 VanDerWaalsContact C-N 3.32Å; D186-T188 PolarHBondContact O-N 3.33Å; D186-N189 PolarHBondContact O-N 2.73Å; D186-N189 VanDerWaalsContact O-N 3.12Å; D186-M190 PolarHBondContact O-N 2.71Å
187	I	45.6	Very low	40.1	Very low	96 Å²	96	113.5 Å²	113.5	49%	0.492	60%	0.601	S	S	.	*	H	α-helix	trans	-60.9	-42.1	174.2	-64.2	177.2	0	0	0	110.5	M183 N189 M190 I191	M183-I187 VanDerWaalsContact O-CD1 3.29Å; M183-I187 WeakPolarHBondContact O-CD1 3.37Å; I187-N189 VanDerWaalsContact C-N 3.26Å; I187-N189 PolarHBondContact O-N 2.79Å; I187-M190 PolarHBondContact O-N 3.38Å; I187-I191 HydrophobicContact CG2-CD1 3.74Å; I187-I191 HydrophobicContact CG2-CG1 4.36Å; I187-I191 WeakPolarHBondContact O-CG1 3.23Å; I187-I191 PolarHBondContact O-N 3.26Å
188	T	47.8	Very low	40.9	Very low	81 Å²	81	111 Å²	111	50%	0.497	58%	0.578	S	S	.	*	H	α-helix	trans	-60.5	-35.5	175.6	-48.2	0	0	0	0	112.1	D186 N192	D186-T188 VanDerWaalsContact C-N 3.32Å; D186-T188 PolarHBondContact O-N 3.33Å; T188-N192 PolarHBondContact O-N 2.73Å; T188-N192 PolarHBondContact O-ND2 3.23Å
189	N	45.4	Very low	41.7	Very low	104 Å²	104	109.7 Å²	109.7	56%	0.556	56%	0.564	S	S	*	*	H	α-helix	trans	-77	-33	177.1	-72.9	-45.3	0	0	0	112.8	S185 D186 I187 Y193	S185-N189 PolarHBondContact O-ND2 2.85Å; D186-N189 PolarHBondContact O-N 2.73Å; D186-N189 VanDerWaalsContact O-N 3.12Å; I187-N189 VanDerWaalsContact C-N 3.26Å; I187-N189 PolarHBondContact O-N 2.79Å; N189-Y193 PolarHBondContact O-N 3.16Å
190	M	41.9	Very low	42.3	Very low	128 Å²	128	108 Å²	108	63%	0.631	55%	0.552	S	S	*	*	H	α-helix	trans	-66.8	-48.3	171.2	-80.4	-178.9	55.7	0	0	112.4	D186 I187 N192 Y193 E194	D186-M190 PolarHBondContact O-N 2.71Å; I187-M190 PolarHBondContact O-N 3.38Å; M190-N192 VanDerWaalsContact C-N 3.29Å; M190-N192 PolarHBondContact O-N 3.21Å; M190-Y193 WeakPolarHBondContact O-CA 3.19Å; M190-Y193 WeakPolarHBondContact O-CB 3.48Å; M190-Y193 PolarHBondContact O-N 2.7Å; M190-E194 PolarHBondContact O-N 3.41Å
191	I	50.5	Low	43.3	Very low	89 Å²	89	112.4 Å²	112.4	46%	0.456	56%	0.557	S	S	.	*	H	α-helix	trans	-59.6	-40.7	-180	-68.7	169.5	0	0	0	110.9	I187 Y193 E194 N195	I187-I191 HydrophobicContact CG2-CD1 3.74Å; I187-I191 HydrophobicContact CG2-CG1 4.36Å; I187-I191 WeakPolarHBondContact O-CG1 3.23Å; I187-I191 PolarHBondContact O-N 3.26Å; I191-Y193 VanDerWaalsContact C-N 3.34Å; I191-Y193 PolarHBondContact O-N 2.93Å; I191-E194 PolarHBondContact O-N 3.5Å; I191-N195 WeakPolarHBondContact O-CB 3.25Å; I191-N195 PolarHBondContact O-N 3.31Å; I191-N195 PolarHBondContact O-ND2 2.85Å
192	N	46.5	Very low	44.3	Very low	98 Å²	98	112.9 Å²	112.9	52%	0.524	55%	0.553	S	S	.	*	H	α-helix	trans	-65.1	-34.5	174	-79.6	-38.5	0	0	0	113	T188 M190 W196	T188-N192 PolarHBondContact O-N 2.73Å; T188-N192 PolarHBondContact O-ND2 3.23Å; M190-N192 VanDerWaalsContact C-N 3.29Å; M190-N192 PolarHBondContact O-N 3.21Å; N192-W196 VanDerWaalsContact O-CB 3.31Å; N192-W196 WeakPolarHBondContact O-CB 3.28Å; N192-W196 PolarHBondContact O-N 3.11Å
193	Y	40.4	Very low	44.8	Very low	164 Å²	164	115.3 Å²	115.3	64%	0.643	55%	0.549	S	S	*	.	H	α-helix	trans	-69.8	-40.5	175.1	-118	-88.6	0	0	0	113	N189 M190 I191 W196 S197	N189-Y193 PolarHBondContact O-N 3.16Å; M190-Y193 WeakPolarHBondContact O-CA 3.19Å; M190-Y193 WeakPolarHBondContact O-CB 3.48Å; M190-Y193 PolarHBondContact O-N 2.7Å; I191-Y193 VanDerWaalsContact C-N 3.34Å; I191-Y193 PolarHBondContact O-N 2.93Å; Y193-W196 HydrophobicContact CE1-CE3 4.35Å; Y193-W196 HydrophobicContact CE1-CZ3 4.36Å; Y193-S197 VanDerWaalsContact O-CB 3.25Å; Y193-S197 WeakPolarHBondContact O-CB 3.45Å; Y193-S197 PolarHBondContact O-N 3.08Å
194	E	45.9	Very low	45.5	Very low	125 Å²	125	116.2 Å²	116.2	58%	0.584	55%	0.551	S	S	*	*	H	α-helix	trans	-69.4	-39.5	176.9	-66.7	-154.7	119.5	0	0	112.2	M190 I191 S197 N198	M190-E194 PolarHBondContact O-N 3.41Å; I191-E194 PolarHBondContact O-N 3.5Å; E194-S197 PolarHBondContact O-N 3.11Å; E194-N198 VanDerWaalsContact O-CB 3.29Å; E194-N198 WeakPolarHBondContact O-CB 3.12Å; E194-N198 PolarHBondContact O-N 3.43Å; E194-N198 PolarHBondContact O-ND2 2.95Å; E194-N198 VanDerWaalsContact O-ND2 3.08Å
195	N	44.3	Very low	45.8	Very low	96 Å²	96	115.3 Å²	115.3	51%	0.513	55%	0.547	S	S	.	.	H	α-helix	trans	-63.8	-43.8	173.7	-77.7	-33	0	0	0	112	I191 S197 N198 D199	I191-N195 WeakPolarHBondContact O-CB 3.25Å; I191-N195 PolarHBondContact O-N 3.31Å; I191-N195 PolarHBondContact O-ND2 2.85Å; N195-S197 PolarHBondContact O-N 3.02Å; N195-N198 PolarHBondContact O-N 3.18Å; N195-D199 WeakPolarHBondContact O-CB 3.42Å; N195-D199 PolarHBondContact O-N 3.15Å
196	W	40.9	Very low	45.8	Very low	170 Å²	170	120.7 Å²	120.7	64%	0.644	56%	0.562	S	S	*	*	H	α-helix	trans	-63.4	-40.7	175.7	-168.6	56.2	0	0	0	112.4	N192 Y193 H200	N192-W196 VanDerWaalsContact O-CB 3.31Å; N192-W196 WeakPolarHBondContact O-CB 3.28Å; N192-W196 PolarHBondContact O-N 3.11Å; Y193-W196 HydrophobicContact CE1-CE3 4.35Å; Y193-W196 HydrophobicContact CE1-CZ3 4.36Å; W196-H200 WeakPolarHBondContact O-CB 3.45Å; W196-H200 PolarHBondContact O-N 2.85Å
197	S	46.8	Very low	45.6	Very low	59 Å²	59	119.3 Å²	119.3	41%	0.413	56%	0.558	S	S	.	*	H	α-helix	trans	-64	-45.2	175	-175.6	0	0	0	0	112.4	Y193 E194 N195 R201	Y193-S197 VanDerWaalsContact O-CB 3.25Å; Y193-S197 WeakPolarHBondContact O-CB 3.45Å; Y193-S197 PolarHBondContact O-N 3.08Å; E194-S197 PolarHBondContact O-N 3.11Å; N195-S197 PolarHBondContact O-N 3.02Å; S197-R201 VanDerWaalsContact O-CB 3.31Å; S197-R201 WeakPolarHBondContact O-CB 3.27Å; S197-R201 PolarHBondContact O-N 3.39Å
198	N	46.4	Very low	45.2	Very low	71 Å²	71	124.1 Å²	124.1	38%	0.38	58%	0.575	S	S	.	*	H	α-helix	trans	-70.4	-37	-180	-81	-47.1	0	0	0	112.8	E194 N195 R201 K202	E194-N198 VanDerWaalsContact O-CB 3.29Å; E194-N198 WeakPolarHBondContact O-CB 3.12Å; E194-N198 PolarHBondContact O-N 3.43Å; E194-N198 PolarHBondContact O-ND2 2.95Å; E194-N198 VanDerWaalsContact O-ND2 3.08Å; N195-N198 PolarHBondContact O-N 3.18Å; N198-R201 CarbonylContact O-C 3.6Å; N198-R201 PolarHBondContact O-N 3.09Å; N198-K202 WeakPolarHBondContact O-CG 3.46Å; N198-K202 PolarHBondContact O-N 2.84Å
199	D	49.7	Very low	44.6	Very low	65 Å²	65	127.2 Å²	127.2	35%	0.348	59%	0.588	S	S	.	*	H	α-helix	trans	-67.4	-45.4	174.3	-168.2	-4	0	0	0	110.9	N195 R201 K202 R203	N195-D199 WeakPolarHBondContact O-CB 3.42Å; N195-D199 PolarHBondContact O-N 3.15Å; D199-R201 PolarHBondContact O-N 3.23Å; D199-R201 VanDerWaalsContact O-N 3.16Å; D199-K202 PolarHBondContact O-N 3.04Å; D199-R203 VanDerWaalsContact CG-NE 3.29Å; D199-R203 WeakPolarHBondContact O-CG 3.38Å; D199-R203 PolarHBondContact O-N 3.27Å; D199-R203 WeakPolarHBondContact OD1-CG 3.32Å; D199-R203 IonicContact OD1-CZ 3.62Å; D199-R203 IonicContact OD1-NE 2.77Å; D199-R203 PolarHBondContact OD1-NE 3.16Å; D199-R203 IonicContact OD1-NH2 3.6Å; D199-R203 IonicContact OD2-CZ 3.4Å; D199-R203 IonicContact OD2-NE 3.38Å; D199-R203 PolarHBondContact OD2-NE 2.98Å; D199-R203 IonicContact OD2-NH2 3.65Å; D199-R203 PolarHBondContact OD2-NH2 3.08Å
200	H	48.7	Very low	44.1	Very low	108 Å²	108	128 Å²	128	50%	0.5	59%	0.592	S	S	.	*	H	α-helix	trans	-60.3	-28.7	172.9	-158.5	-46.3	0	0	0	112.6	W196 H204	W196-H200 WeakPolarHBondContact O-CB 3.45Å; W196-H200 PolarHBondContact O-N 2.85Å; H200-H204 AromaticContact CE1-CD2 3.55Å; H200-H204 AromaticContact CE1-NE2 3.63Å; H200-H204 AromaticContact ND1-CD2 3.55Å
201	R	48.9	Very low	43.6	Very low	170 Å²	170	126 Å²	126	64%	0.642	59%	0.59	S	S	*	*	H	α-helix	trans	-78.8	-31.6	173.9	-167.8	177.7	-71.4	-170.6	-1.6	113.2	S197 N198 D199	S197-R201 VanDerWaalsContact O-CB 3.31Å; S197-R201 WeakPolarHBondContact O-CB 3.27Å; S197-R201 PolarHBondContact O-N 3.39Å; N198-R201 CarbonylContact O-C 3.6Å; N198-R201 PolarHBondContact O-N 3.09Å; D199-R201 PolarHBondContact O-N 3.23Å; D199-R201 VanDerWaalsContact O-N 3.16Å
202	K	50.9	Low	42.9	Very low	160 Å²	160	130.2 Å²	130.2	70%	0.696	61%	0.61	S	S	*	*	H	α-helix	trans	-74.8	-46.3	173.8	-76.2	176.8	179.6	178.6	0	111.9	N198 D199 H204 K205	N198-K202 WeakPolarHBondContact O-CG 3.46Å; N198-K202 PolarHBondContact O-N 2.84Å; D199-K202 PolarHBondContact O-N 3.04Å; K202-H204 VanDerWaalsContact C-N 3.26Å; K202-H204 PolarHBondContact O-N 3.09Å; K202-K205 PolarHBondContact O-N 3.3Å; K202-K205 VanDerWaalsContact O-N 3.09Å
203	R	45.1	Very low	42.3	Very low	163 Å²	163	131.8 Å²	131.8	62%	0.615	62%	0.619	S	S	*	*	H	α-helix	trans	-58.1	-34.4	178.9	-66.3	178.1	-159.5	-171.2	6.1	113	D199 K205 K206	D199-R203 VanDerWaalsContact CG-NE 3.29Å; D199-R203 WeakPolarHBondContact O-CG 3.38Å; D199-R203 PolarHBondContact O-N 3.27Å; D199-R203 WeakPolarHBondContact OD1-CG 3.32Å; D199-R203 IonicContact OD1-CZ 3.62Å; D199-R203 IonicContact OD1-NE 2.77Å; D199-R203 PolarHBondContact OD1-NE 3.16Å; D199-R203 IonicContact OD1-NH2 3.6Å; D199-R203 IonicContact OD2-CZ 3.4Å; D199-R203 IonicContact OD2-NE 3.38Å; D199-R203 PolarHBondContact OD2-NE 2.98Å; D199-R203 IonicContact OD2-NH2 3.65Å; D199-R203 PolarHBondContact OD2-NH2 3.08Å; R203-K205 VanDerWaalsContact C-N 3.32Å; R203-K205 PolarHBondContact O-N 3.27Å; R203-K206 PolarHBondContact O-N 2.85Å
204	H	46.8	Very low	41.6	Very low	135 Å²	135	134.3 Å²	134.3	63%	0.625	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-9.4	178.5	-99.2	-84.2	0	0	0	115.8	H200 K202	H200-H204 AromaticContact CE1-CD2 3.55Å; H200-H204 AromaticContact CE1-NE2 3.63Å; H200-H204 AromaticContact ND1-CD2 3.55Å; K202-H204 VanDerWaalsContact C-N 3.26Å; K202-H204 PolarHBondContact O-N 3.09Å
205	K	44.9	Very low	41.1	Very low	184 Å²	184	134.8 Å²	134.8	80%	0.8	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-12.8	174.2	-77.2	-169.5	173	-173.4	0	114	K202 R203	K202-K205 PolarHBondContact O-N 3.3Å; K202-K205 VanDerWaalsContact O-N 3.09Å; R203-K205 VanDerWaalsContact C-N 3.32Å; R203-K205 PolarHBondContact O-N 3.27Å
206	K	40.4	Very low	40.5	Very low	179 Å²	179	137.6 Å²	137.6	78%	0.778	65%	0.649	S	S	*	*	S	Bend	trans	-95.5	13.7	-172.2	-141.3	171.9	-174.2	178	0	114.9	R203	R203-K206 PolarHBondContact O-N 2.85Å
207	T	39.7	Very low	40	Very low	61 Å²	61	135.9 Å²	135.9	37%	0.374	65%	0.652	S	S	.	*	S	Bend	trans	-119.5	19.1	-169.7	51.2	0	0	0	0	115.6	F2	F2-T207 HydrophobicContact CD1-CG2 3.91Å; F2-T207 HydrophobicContact CD2-CG2 4.17Å; F2-T207 WeakPolarHBondContact CD2-O 3.35Å; F2-T207 HydrophobicContact CE1-CG2 4.07Å; F2-T207 HydrophobicContact CE2-CG2 4.35Å; F2-T207 HydrophobicContact CG-CG2 3.97Å; F2-T207 HydrophobicContact CZ-CG2 4.28Å
208	K	37.6	Very low	39.3	Very low	197 Å²	197	143.1 Å²	143.1	86%	0.857	68%	0.676	S	S	*	*	S	Bend	trans	-125.6	13.9	-175.7	-142.8	-171.5	179.8	-167	0	115.6
209	L	35.8	Very low	38.5	Very low	146 Å²	146	144.7 Å²	144.7	76%	0.764	69%	0.692	S	S	*	*			trans	-124.2	161	170.4	-82.8	152.7	0	0	0	108.6
210	N	33.1	Very low	37.7	Very low	121 Å²	121	148.8 Å²	148.8	65%	0.647	71%	0.713	S	S	*	*			trans	84	72.5	-166.4	-56.1	-1.1	0	0	0	114.5	M1	M1-N210 WeakPolarHBondContact CB-O 3.48Å; M1-N210 VanDerWaalsContact CE-O 3.25Å; M1-N210 WeakPolarHBondContact CE-O 3.12Å
211	S	32.6	Very low	37	Very low	85 Å²	85	150 Å²	150	59%	0.594	72%	0.722	S	S	*	*			trans	-162	60.4	154.9	55.1	0	0	0	0	111.8
212	M	35.3	Very low	36.3	Very low	177 Å²	177	148 Å²	148	87%	0.872	72%	0.723	S	S	*	*	S	Bend	trans	-153.9	137.4	166.3	-111.1	158.7	175.8	0	0	110.1
213	N	33.2	Very low	35.6	Very low	131 Å²	131	146.2 Å²	146.2	70%	0.701	72%	0.722	S	S	*	*			trans	51.1	96.7	155	-55.3	0.3	0	0	0	118.5
214	F	27.3	Very low	35.2	Very low	217 Å²	217	144.3 Å²	144.3	95%	0.952	72%	0.724	S	S	*	*			trans	-99.5	87.5	156.2	-141.2	-80.3	0	0	0	107.1
215	I	35.4	Very low	34.6	Very low	135 Å²	135	144.1 Å²	144.1	69%	0.692	73%	0.727	S	S	*	*			trans	-133.3	112.7	176.4	-66.9	-175.4	0	0	0	109.7
216	E	31.6	Very low	34.3	Very low	156 Å²	156	142.1 Å²	142.1	73%	0.729	73%	0.725	S	S	*	*			trans	51.9	125.1	147.6	-63.7	-167.1	99.8	0	0	123.4
217	N	30.3	Very low	34.1	Very low	133 Å²	133	138.2 Å²	138.2	71%	0.711	72%	0.72	S	S	*	*				55.5	108.7	125.8	-52.4	-23.5	0	0	0	119.8
218	K	32.3	Very low	33.8	Very low	212 Å²	212	142.7 Å²	142.7	92%	0.922	74%	0.741	S	S	*	*			trans	-147.6	106.1	138.3	-115.3	170.5	-173.4	178	0	112
219	S	27.8	Very low	33.6	Very low	103 Å²	103	137.4 Å²	137.4	72%	0.72	73%	0.734	S	S	*	*			trans	-97.4	176.4	149.4	56.7	0	0	0	0	108.5
220	I	32.9	Very low	33.6	Very low	151 Å²	151	137.1 Å²	137.1	77%	0.774	74%	0.738	S	S	*	*			trans	72.9	133.1	-178.9	-47.7	173.2	0	0	0	113.5
221	I	34.7	Very low	33.7	Very low	134 Å²	134	135.8 Å²	135.8	69%	0.687	74%	0.744	S	S	*	*			cis	-176.4	153	-37.7	-106.6	159.9	0	0	0	106.8
222	N	35.3	Very low	33.8	Very low	127 Å²	127	135.8 Å²	135.8	68%	0.679	75%	0.749	S	S	*	*			trans	65.1	111.8	162.9	-75.9	-0.2	0	0	0	122.4
223	N	36.1	Very low	33.8	Very low	123 Å²	123	133.9 Å²	133.9	66%	0.658	75%	0.748	S	S	*	*				80	123.8	110.8	-61.7	-1	0	0	0	123.7
224	N	35.6	Very low	33.8	Very low	124 Å²	124	134.6 Å²	134.6	66%	0.663	75%	0.747	S	S	*	*				84.2	100.5	129.6	-64.1	6.6	0	0	0	121.8
225	N	35.2	Very low	34.3	Very low	130 Å²	130	132.2 Å²	132.2	70%	0.695	74%	0.736	S	S	*	*				83.7	133	118.1	-60.5	-4	0	0	0	121.6
226	N	37.3	Very low	34.4	Very low	142 Å²	142	132.3 Å²	132.3	76%	0.759	74%	0.743	S	S	*	*			trans	72.8	103.2	141.1	-67	9.2	0	0	0	120.3
227	S	36.2	Very low	34.8	Very low	97 Å²	97	130.4 Å²	130.4	68%	0.678	74%	0.744	S	S	*	*				134.6	142.1	96.2	-86.4	0	0	0	0	117.3
228	I	33.3	Very low	35.2	Very low	156 Å²	156	129.8 Å²	129.8	80%	0.8	75%	0.748	S	S	*	*			trans	65.4	96.4	149.6	-62.8	162.6	0	0	0	115.5
229	A	35.2	Very low	35.5	Very low	86 Å²	86	126 Å²	126	71%	0.711	75%	0.745	S	S	*	*				87.5	153.2	90.5	0	0	0	0	0	113.1
230	T	34	Very low	35.9	Very low	139 Å²	139	126.1 Å²	126.1	85%	0.853	75%	0.746	S	S	*	*			cis	-157	174.6	10	-21.7	0	0	0	0	111.4
231	A	35.4	Very low	36.2	Very low	94 Å²	94	126.5 Å²	126.5	78%	0.777	75%	0.748	S	S	*	*			trans	95.6	142.3	155.3	0	0	0	0	0	121.4
232	A	35.7	Very low	36	Very low	85 Å²	85	128.8 Å²	128.8	70%	0.702	75%	0.749	S	S	*	*			trans	55.6	100.7	169.6	0	0	0	0	0	118.3
233	T	35.2	Very low	36.3	Very low	137 Å²	137	129.2 Å²	129.2	84%	0.84	75%	0.75	S	S	*	*				62.8	138.3	84.4	62	0	0	0	0	114.6
234	E	33.3	Very low	36.8	Very low	146 Å²	146	129.3 Å²	129.3	68%	0.682	75%	0.75	S	S	*	*			cis	-159.3	172.8	26.1	-147.7	-151.7	148.5	0	0	113.9
235	K	37.6	Very low	37.1	Very low	166 Å²	166	129.6 Å²	129.6	72%	0.722	75%	0.748	S	S	*	*			trans	72.2	112.1	162.4	-72.7	168.2	167.5	67.2	0	120.3
236	T	36.5	Very low	37.7	Very low	138 Å²	138	127.9 Å²	127.9	85%	0.847	75%	0.746	S	S	*	*			trans	-118	160.3	174.5	39	0	0	0	0	113
237	P	40.7	Very low	38.5	Very low	115 Å²	115	127.4 Å²	127.4	75%	0.747	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-96.5	161.8	171.9	37.6	-33.6	0	0	0	113.7
238	P	38.5	Very low	39.4	Very low	121 Å²	121	129.7 Å²	129.7	79%	0.786	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-76	162	-176.2	30.6	-36.3	0	0	0	115.2
239	P	38.8	Very low	40.5	Very low	132 Å²	132	127.2 Å²	127.2	86%	0.857	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-87.9	168.1	-164.7	35.5	-38	0	0	0	116
240	S	35.8	Very low	42	Very low	106 Å²	106	129.2 Å²	129.2	74%	0.741	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-100.2	139	178.7	55.6	0	0	0	0	113.6
241	I	39.2	Very low	43.7	Very low	159 Å²	159	127.5 Å²	127.5	82%	0.815	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-78.5	130	170.6	-61.9	172.9	0	0	0	109.9	I243	I241-I243 HydrophobicContact CG2-CG1 4.34Å
242	Y	31.7	Very low	45.2	Very low	182 Å²	182	130.5 Å²	130.5	71%	0.714	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-84.4	140.9	174.4	-120.1	-96	0	0	0	110.9
243	I	41.7	Very low	46.8	Very low	136 Å²	136	130.9 Å²	130.9	70%	0.697	69%	0.692	S	S	*	*			trans	-139.6	98	172.3	-50.8	179.8	0	0	0	111.2	I241	I241-I243 HydrophobicContact CG2-CG1 4.34Å
244	N	45.2	Very low	48.6	Very low	125 Å²	125	131.8 Å²	131.8	67%	0.668	68%	0.684	S	S	*	*			trans	37.5	84.6	153.2	-59	-10.5	0	0	0	118.6	S246 M247	N244-S246 PolarHBondContact O-N 2.91Å; N244-M247 PolarHBondContact O-N 3.44Å; N244-M247 VanDerWaalsContact O-N 3.11Å
245	E	42.2	Very low	50.3	Low	130 Å²	130	128.8 Å²	128.8	61%	0.607	68%	0.676	S	S	*	*	H	α-helix	trans	-47.6	-33.7	177.7	-62.2	168.3	157.7	0	0	114.4	M247 E248 D249	E245-M247 PolarHBondContact O-N 2.97Å; E245-M247 VanDerWaalsContact O-N 3.08Å; E245-E248 PolarHBondContact O-N 3.5Å; E245-E248 VanDerWaalsContact O-N 3.11Å; E245-D249 PolarHBondContact O-N 3.21Å
246	S	48.4	Very low	51.9	Low	94 Å²	94	123.1 Å²	123.1	66%	0.657	66%	0.655	S	S	*	*	H	α-helix	trans	-59.4	-21.7	179.9	179.3	0	0	0	0	114.9	N244	N244-S246 PolarHBondContact O-N 2.91Å
247	M	54.2	Low	53.6	Low	131 Å²	131	120.4 Å²	120.4	65%	0.645	64%	0.639	S	S	*	*	H	α-helix	trans	-85.9	-32.3	177.3	-161.9	173.2	-65.5	0	0	112.2	N244 E245 M250 I251	N244-M247 PolarHBondContact O-N 3.44Å; N244-M247 VanDerWaalsContact O-N 3.11Å; E245-M247 PolarHBondContact O-N 2.97Å; E245-M247 VanDerWaalsContact O-N 3.08Å; M247-M250 PolarHBondContact O-N 3.08Å; M247-I251 HydrophobicContact CG-CD1 4.28Å; M247-I251 WeakPolarHBondContact O-CG1 3.26Å; M247-I251 PolarHBondContact O-N 3.37Å; M247-I251 VanDerWaalsContact O-N 3.08Å
248	E	54.2	Low	54.7	Low	145 Å²	145	118.2 Å²	118.2	68%	0.678	63%	0.626	S	S	*	*	H	α-helix	trans	-66.7	-43.5	176.3	-62.6	-157.2	126.4	0	0	111.1	E245 M250 I251 Y252	E245-E248 PolarHBondContact O-N 3.5Å; E245-E248 VanDerWaalsContact O-N 3.11Å; E248-M250 VanDerWaalsContact C-N 3.3Å; E248-M250 PolarHBondContact O-N 2.8Å; E248-I251 PolarHBondContact O-N 2.81Å; E248-Y252 WeakPolarHBondContact O-CB 3.34Å; E248-Y252 PolarHBondContact O-N 3.46Å
249	D	57.9	Low	56.1	Low	104 Å²	104	116.8 Å²	116.8	56%	0.556	61%	0.611	S	S	*	*	H	α-helix	trans	-60.4	-37.7	174.8	-95	-19.5	0	0	0	112.7	E245 N253	E245-D249 PolarHBondContact O-N 3.21Å; D249-N253 WeakPolarHBondContact O-CB 3.22Å; D249-N253 PolarHBondContact O-N 2.9Å; D249-N253 PolarHBondContact O-ND2 3.36Å
250	M	64.9	Low	57.7	Low	128 Å²	128	114.8 Å²	114.8	63%	0.631	59%	0.59	S	S	*	*	H	α-helix	trans	-68.2	-41.2	177.2	-165.7	-172.5	-57.8	0	0	111.4	M247 E248 K254	M247-M250 PolarHBondContact O-N 3.08Å; E248-M250 VanDerWaalsContact C-N 3.3Å; E248-M250 PolarHBondContact O-N 2.8Å; M250-K254 WeakPolarHBondContact O-CB 3.36Å; M250-K254 PolarHBondContact O-N 3.1Å; M250-K254 VanDerWaalsContact O-N 3.1Å
251	I	71	Confident	59.4	Low	104 Å²	104	114.8 Å²	114.8	53%	0.533	58%	0.582	S	S	.	*	H	α-helix	trans	-65.7	-45.2	175.6	-68.2	166.4	0	0	0	110	M247 E248 N253 K254 V255	M247-I251 HydrophobicContact CG-CD1 4.28Å; M247-I251 WeakPolarHBondContact O-CG1 3.26Å; M247-I251 PolarHBondContact O-N 3.37Å; M247-I251 VanDerWaalsContact O-N 3.08Å; E248-I251 PolarHBondContact O-N 2.81Å; I251-N253 PolarHBondContact O-N 3.34Å; I251-K254 PolarHBondContact O-N 3.42Å; I251-V255 HydrophobicContact CG2-CG2 4.39Å; I251-V255 WeakPolarHBondContact O-CG2 3.01Å; I251-V255 PolarHBondContact O-N 3.32Å
252	Y	67.6	Low	60.9	Low	157 Å²	157	113.5 Å²	113.5	62%	0.616	57%	0.573	S	S	*	*	H	α-helix	trans	-58.4	-50.7	178.7	-170.4	-96.9	0	0	0	111.5	E248 K254 V255 T256	E248-Y252 WeakPolarHBondContact O-CB 3.34Å; E248-Y252 PolarHBondContact O-N 3.46Å; Y252-K254 VanDerWaalsContact C-N 3.31Å; Y252-K254 PolarHBondContact O-N 3.48Å; Y252-V255 PolarHBondContact O-N 3.42Å; Y252-T256 HydrophobicContact CD1-CG2 4.09Å; Y252-T256 HydrophobicContact CE1-CG2 3.79Å; Y252-T256 WeakPolarHBondContact O-CG2 3.25Å; Y252-T256 PolarHBondContact O-N 3.38Å; Y252-T256 PolarHBondContact O-OG1 3.48Å
253	N	67.7	Low	62.9	Low	92 Å²	92	109.3 Å²	109.3	49%	0.492	56%	0.558	S	S	.	*	H	α-helix	trans	-64.3	-32.1	178.2	-77.1	-64.9	0	0	0	113.3	D249 I251 T256 T257	D249-N253 WeakPolarHBondContact O-CB 3.22Å; D249-N253 PolarHBondContact O-N 2.9Å; D249-N253 PolarHBondContact O-ND2 3.36Å; I251-N253 PolarHBondContact O-N 3.34Å; N253-T256 WeakPolarHBondContact CA-OG1 3.4Å; N253-T256 PolarHBondContact O-OG1 3.48Å; N253-T257 WeakPolarHBondContact O-CB 3.38Å; N253-T257 VanDerWaalsContact O-CG2 3.31Å; N253-T257 WeakPolarHBondContact O-CG2 3.46Å; N253-T257 PolarHBondContact O-N 2.95Å; N253-T257 VanDerWaalsContact O-N 3.13Å; N253-T257 PolarHBondContact O-OG1 3.28Å
254	K	72.8	Confident	64.4	Low	157 Å²	157	107 Å²	107	68%	0.683	55%	0.548	S	S	*	.	H	α-helix	trans	-74.5	-33.6	176.4	-152	168.6	-168.7	173.5	0	112.3	M250 I251 Y252 T257 S258	M250-K254 WeakPolarHBondContact O-CB 3.36Å; M250-K254 PolarHBondContact O-N 3.1Å; M250-K254 VanDerWaalsContact O-N 3.1Å; I251-K254 PolarHBondContact O-N 3.42Å; Y252-K254 VanDerWaalsContact C-N 3.31Å; Y252-K254 PolarHBondContact O-N 3.48Å; K254-T257 PolarHBondContact O-OG1 2.95Å; K254-S258 WeakPolarHBondContact O-CB 3.31Å; K254-S258 PolarHBondContact O-N 2.76Å
255	V	69.7	Low	65.6	Low	82 Å²	82	108.1 Å²	108.1	50%	0.497	55%	0.548	S	S	.	.	H	α-helix	trans	-72.2	-45.5	173.4	170.9	0	0	0	0	111.2	I251 Y252 S258 L259	I251-V255 HydrophobicContact CG2-CG2 4.39Å; I251-V255 WeakPolarHBondContact O-CG2 3.01Å; I251-V255 PolarHBondContact O-N 3.32Å; Y252-V255 PolarHBondContact O-N 3.42Å; V255-S258 PolarHBondContact O-N 2.85Å; V255-L259 PolarHBondContact O-N 3.03Å
256	T	70.9	Confident	66.7	Low	48 Å²	48	104.2 Å²	104.2	29%	0.294	54%	0.535	S	S	.	.	H	α-helix	trans	-65.3	-43.7	-179.8	54.7	0	0	0	0	112.4	Y252 N253 S258 L259 E260	Y252-T256 HydrophobicContact CD1-CG2 4.09Å; Y252-T256 HydrophobicContact CE1-CG2 3.79Å; Y252-T256 WeakPolarHBondContact O-CG2 3.25Å; Y252-T256 PolarHBondContact O-N 3.38Å; Y252-T256 PolarHBondContact O-OG1 3.48Å; N253-T256 WeakPolarHBondContact CA-OG1 3.4Å; N253-T256 PolarHBondContact O-OG1 3.48Å; T256-S258 VanDerWaalsContact C-N 3.34Å; T256-S258 PolarHBondContact O-N 3.39Å; T256-L259 WeakPolarHBondContact O-CB 3.4Å; T256-L259 PolarHBondContact O-N 3.03Å; T256-E260 PolarHBondContact O-N 3.26Å
257	T	72.4	Confident	67.5	Low	81 Å²	81	105.7 Å²	105.7	50%	0.497	53%	0.532	S	S	.	.	H	α-helix	trans	-64.2	-36.2	176.1	49.9	0	0	0	0	112.7	N253 K254 N261	N253-T257 WeakPolarHBondContact O-CB 3.38Å; N253-T257 VanDerWaalsContact O-CG2 3.31Å; N253-T257 WeakPolarHBondContact O-CG2 3.46Å; N253-T257 PolarHBondContact O-N 2.95Å; N253-T257 VanDerWaalsContact O-N 3.13Å; N253-T257 PolarHBondContact O-OG1 3.28Å; K254-T257 PolarHBondContact O-OG1 2.95Å; T257-N261 PolarHBondContact O-N 3.42Å; T257-N261 PolarHBondContact O-ND2 2.95Å; T257-N261 VanDerWaalsContact O-ND2 3.15Å
258	S	65	Low	68.2	Low	69 Å²	69	106.1 Å²	106.1	48%	0.483	53%	0.531	S	S	.	.	H	α-helix	trans	-65.2	-43.5	172.5	-168.7	0	0	0	0	111.7	K254 V255 T256 E260 N261 E262	K254-S258 WeakPolarHBondContact O-CB 3.31Å; K254-S258 PolarHBondContact O-N 2.76Å; V255-S258 PolarHBondContact O-N 2.85Å; T256-S258 VanDerWaalsContact C-N 3.34Å; T256-S258 PolarHBondContact O-N 3.39Å; S258-E260 PolarHBondContact O-N 3.43Å; S258-N261 PolarHBondContact O-N 2.77Å; S258-E262 PolarHBondContact O-N 3.38Å; S258-E262 VanDerWaalsContact O-N 3.14Å
259	L	66.5	Low	68.7	Low	91 Å²	91	105.3 Å²	105.3	48%	0.476	53%	0.528	S	S	.	.	H	α-helix	trans	-61.9	-39	176.5	-129.8	76.9	0	0	0	112.9	V255 T256 E262 K263	V255-L259 PolarHBondContact O-N 3.03Å; T256-L259 WeakPolarHBondContact O-CB 3.4Å; T256-L259 PolarHBondContact O-N 3.03Å; L259-E262 PolarHBondContact O-N 2.98Å; L259-K263 WeakPolarHBondContact O-CG 3.29Å; L259-K263 PolarHBondContact O-N 3.33Å
260	E	73.5	Confident	69.2	Low	89 Å²	89	106.2 Å²	106.2	42%	0.416	53%	0.527	S	S	.	.	H	α-helix	trans	-68.4	-36	179.2	-138.9	63.2	-145.1	0	0	112	T256 S258 K263 N264	T256-E260 PolarHBondContact O-N 3.26Å; S258-E260 PolarHBondContact O-N 3.43Å; E260-K263 PolarHBondContact O-N 3.32Å; E260-K263 VanDerWaalsContact OE1-CD 3.23Å; E260-K263 WeakPolarHBondContact OE1-CD 3.35Å; E260-K263 IonicContact OE1-NZ 2.61Å; E260-K263 PolarHBondContact OE1-NZ 2.66Å; E260-K263 IonicContact OE2-NZ 2.66Å; E260-K263 PolarHBondContact OE2-NZ 3.39Å; E260-N264 WeakPolarHBondContact O-CB 3.32Å; E260-N264 VanDerWaalsContact O-CG 3.26Å; E260-N264 PolarHBondContact O-N 3.14Å; E260-N264 PolarHBondContact O-ND2 3.47Å
261	N	70.7	Confident	69.2	Low	107 Å²	107	103.9 Å²	103.9	57%	0.572	52%	0.52	S	S	*	.	H	α-helix	trans	-65.4	-41.6	173.9	-73.3	-33.9	0	0	0	112.1	T257 S258 N264 Q265	T257-N261 PolarHBondContact O-N 3.42Å; T257-N261 PolarHBondContact O-ND2 2.95Å; T257-N261 VanDerWaalsContact O-ND2 3.15Å; S258-N261 PolarHBondContact O-N 2.77Å; N261-N264 PolarHBondContact O-N 2.89Å; N261-Q265 WeakPolarHBondContact O-CB 3.37Å; N261-Q265 PolarHBondContact O-N 3.29Å
262	E	70.4	Confident	68.7	Low	131 Å²	131	102.1 Å²	102.1	61%	0.612	51%	0.512	S	S	*	.	H	α-helix	trans	-63.6	-40.8	173.3	-70.8	-164.1	148.8	0	0	112.5	S258 L259 N264 Q265 S266	S258-E262 PolarHBondContact O-N 3.38Å; S258-E262 VanDerWaalsContact O-N 3.14Å; L259-E262 PolarHBondContact O-N 2.98Å; E262-N264 VanDerWaalsContact C-N 3.35Å; E262-N264 PolarHBondContact O-N 2.98Å; E262-Q265 PolarHBondContact O-N 2.93Å; E262-S266 VanDerWaalsContact O-CB 3.25Å; E262-S266 WeakPolarHBondContact O-CB 3.34Å; E262-S266 PolarHBondContact O-N 3.19Å
263	K	74	Confident	68	Low	95 Å²	95	100.3 Å²	100.3	41%	0.413	51%	0.512	S	S	.	.	H	α-helix	trans	-58.2	-46.9	173.4	-71.4	169.6	-171.3	166.8	0	111.3	L259 E260 S266 Q267	L259-K263 WeakPolarHBondContact O-CG 3.29Å; L259-K263 PolarHBondContact O-N 3.33Å; E260-K263 PolarHBondContact O-N 3.32Å; E260-K263 VanDerWaalsContact OE1-CD 3.23Å; E260-K263 WeakPolarHBondContact OE1-CD 3.35Å; E260-K263 IonicContact OE1-NZ 2.61Å; E260-K263 PolarHBondContact OE1-NZ 2.66Å; E260-K263 IonicContact OE2-NZ 2.66Å; E260-K263 PolarHBondContact OE2-NZ 3.39Å; K263-S266 WeakPolarHBondContact O-CB 3.24Å; K263-S266 PolarHBondContact O-N 3.48Å; K263-Q267 WeakPolarHBondContact O-CG 3.39Å; K263-Q267 PolarHBondContact O-N 2.92Å
264	N	72.7	Confident	67.5	Low	88 Å²	88	100 Å²	100	47%	0.471	51%	0.514	S	S	.	.	H	α-helix	trans	-64.5	-43.6	-179	-72.3	-27.6	0	0	0	111.8	E260 N261 E262 S266 Q267 F268	E260-N264 WeakPolarHBondContact O-CB 3.32Å; E260-N264 VanDerWaalsContact O-CG 3.26Å; E260-N264 PolarHBondContact O-N 3.14Å; E260-N264 PolarHBondContact O-ND2 3.47Å; N261-N264 PolarHBondContact O-N 2.89Å; E262-N264 VanDerWaalsContact C-N 3.35Å; E262-N264 PolarHBondContact O-N 2.98Å; N264-S266 VanDerWaalsContact C-N 3.33Å; N264-S266 PolarHBondContact O-N 2.91Å; N264-Q267 PolarHBondContact O-N 3.17Å; N264-F268 PolarHBondContact O-N 3.36Å
265	Q	70.9	Confident	66.6	Low	147 Å²	147	96.2 Å²	96.2	69%	0.687	51%	0.507	S	S	*	.	H	α-helix	trans	-64.8	-37.8	174.9	-160	177.7	78.6	0	0	111.6	N261 E262 F268 M269	N261-Q265 WeakPolarHBondContact O-CB 3.37Å; N261-Q265 PolarHBondContact O-N 3.29Å; E262-Q265 PolarHBondContact O-N 2.93Å; Q265-F268 PolarHBondContact O-N 3.18Å; Q265-M269 WeakPolarHBondContact O-CG 3.35Å; Q265-M269 PolarHBondContact O-N 3.23Å
266	S	64.7	Low	65.9	Low	48 Å²	48	100.1 Å²	100.1	34%	0.336	52%	0.517	S	S	.	.	H	α-helix	trans	-64.1	-38.2	172.8	-165.6	0	0	0	0	112.8	E262 K263 N264 K270	E262-S266 VanDerWaalsContact O-CB 3.25Å; E262-S266 WeakPolarHBondContact O-CB 3.34Å; E262-S266 PolarHBondContact O-N 3.19Å; K263-S266 WeakPolarHBondContact O-CB 3.24Å; K263-S266 PolarHBondContact O-N 3.48Å; N264-S266 VanDerWaalsContact C-N 3.33Å; N264-S266 PolarHBondContact O-N 2.91Å; S266-K270 VanDerWaalsContact O-CD 3.31Å; S266-K270 WeakPolarHBondContact O-CD 3.2Å; S266-K270 VanDerWaalsContact O-CG 3.25Å; S266-K270 WeakPolarHBondContact O-CG 3.42Å; S266-K270 PolarHBondContact O-N 3.36Å; S266-K270 VanDerWaalsContact O-N 3.11Å; S266-K270 PolarHBondContact OG-NZ 3.15Å
267	Q	65.8	Low	64.8	Low	126 Å²	126	101.2 Å²	101.2	59%	0.589	53%	0.531	S	S	*	.	H	α-helix	trans	-66.4	-44.7	173.6	-72.9	-164.5	27.5	0	0	111.8	K263 N264 M269 K270 T271	K263-Q267 WeakPolarHBondContact O-CG 3.39Å; K263-Q267 PolarHBondContact O-N 2.92Å; N264-Q267 PolarHBondContact O-N 3.17Å; Q267-M269 VanDerWaalsContact C-N 3.3Å; Q267-M269 PolarHBondContact O-N 3.23Å; Q267-K270 WeakPolarHBondContact O-CB 3.27Å; Q267-K270 PolarHBondContact O-N 3.5Å; Q267-T271 PolarHBondContact O-N 3.39Å; Q267-T271 PolarHBondContact O-OG1 3.28Å
268	F	69.2	Low	63.8	Low	140 Å²	140	105.4 Å²	105.4	61%	0.614	54%	0.543	S	S	*	.	H	α-helix	trans	-62	-35.6	178.3	-173.1	-98.6	0	0	0	113	N264 Q265 T271 N272	N264-F268 PolarHBondContact O-N 3.36Å; Q265-F268 PolarHBondContact O-N 3.18Å; F268-T271 PolarHBondContact O-OG1 2.71Å; F268-T271 VanDerWaalsContact O-OG1 3.06Å; F268-N272 WeakPolarHBondContact CE1-ND2 3.36Å; F268-N272 PolarHBondContact O-N 3.5Å; F268-N272 PolarHBondContact O-ND2 3.13Å
269	M	64.5	Low	63.1	Low	127 Å²	127	109.6 Å²	109.6	63%	0.626	56%	0.558	S	S	*	*	H	α-helix	trans	-66.9	-41.2	171.1	-74.1	-69.8	-122.2	0	0	112.2	Q265 Q267 L273	Q265-M269 WeakPolarHBondContact O-CG 3.35Å; Q265-M269 PolarHBondContact O-N 3.23Å; Q267-M269 VanDerWaalsContact C-N 3.3Å; Q267-M269 PolarHBondContact O-N 3.23Å; M269-L273 WeakPolarHBondContact O-CG 3.25Å; M269-L273 PolarHBondContact O-N 2.69Å
270	K	67.8	Low	61.9	Low	124 Å²	124	109.7 Å²	109.7	54%	0.539	57%	0.567	S	S	.	*	H	α-helix	trans	-66.4	-41.9	178.6	-74.7	161	-177.9	148.4	0	112.6	S266 Q267 L273 V274	S266-K270 VanDerWaalsContact O-CD 3.31Å; S266-K270 WeakPolarHBondContact O-CD 3.2Å; S266-K270 VanDerWaalsContact O-CG 3.25Å; S266-K270 WeakPolarHBondContact O-CG 3.42Å; S266-K270 PolarHBondContact O-N 3.36Å; S266-K270 VanDerWaalsContact O-N 3.11Å; S266-K270 PolarHBondContact OG-NZ 3.15Å; Q267-K270 WeakPolarHBondContact O-CB 3.27Å; Q267-K270 PolarHBondContact O-N 3.5Å; K270-L273 PolarHBondContact O-N 3.14Å; K270-V274 WeakPolarHBondContact O-CG2 3.38Å; K270-V274 PolarHBondContact O-N 2.86Å
271	T	65.9	Low	60.4	Low	79 Å²	79	113.3 Å²	113.3	49%	0.485	59%	0.589	S	S	.	*	H	α-helix	trans	-64.6	-43.4	176.6	53.6	0	0	0	0	111.5	Q267 F268 L273 V274 S275	Q267-T271 PolarHBondContact O-N 3.39Å; Q267-T271 PolarHBondContact O-OG1 3.28Å; F268-T271 PolarHBondContact O-OG1 2.71Å; F268-T271 VanDerWaalsContact O-OG1 3.06Å; T271-L273 VanDerWaalsContact C-N 3.33Å; T271-L273 PolarHBondContact O-N 3.16Å; T271-V274 PolarHBondContact O-N 3.39Å; T271-S275 PolarHBondContact O-N 2.82Å; T271-S275 PolarHBondContact O-OG 3.09Å
272	N	59	Low	59.5	Low	67 Å²	67	113.8 Å²	113.8	36%	0.358	60%	0.596	S	S	.	*	H	α-helix	trans	-60.3	-38.4	174.3	-86.5	-76	0	0	0	113.3	F268 S275 K276	F268-N272 WeakPolarHBondContact CE1-ND2 3.36Å; F268-N272 PolarHBondContact O-N 3.5Å; F268-N272 PolarHBondContact O-ND2 3.13Å; N272-S275 PolarHBondContact O-N 2.95Å; N272-K276 WeakPolarHBondContact O-CG 3.38Å; N272-K276 PolarHBondContact O-N 3.12Å
273	L	54.5	Low	58.8	Low	119 Å²	119	117 Å²	117	62%	0.623	61%	0.608	S	S	*	*	H	α-helix	trans	-66.1	-42	174.5	-79.2	163.3	0	0	0	112.3	M269 K270 T271 K276 A277	M269-L273 WeakPolarHBondContact O-CG 3.25Å; M269-L273 PolarHBondContact O-N 2.69Å; K270-L273 PolarHBondContact O-N 3.14Å; T271-L273 VanDerWaalsContact C-N 3.33Å; T271-L273 PolarHBondContact O-N 3.16Å; L273-K276 PolarHBondContact O-N 3.07Å; L273-A277 WeakPolarHBondContact O-CB 3.34Å; L273-A277 PolarHBondContact O-N 3.07Å
274	V	56.9	Low	58	Low	86 Å²	86	117 Å²	117	52%	0.521	61%	0.609	S	S	.	*	H	α-helix	trans	-64.6	-38.4	175.8	171.8	0	0	0	0	111.7	K270 T271 A277 K278	K270-V274 WeakPolarHBondContact O-CG2 3.38Å; K270-V274 PolarHBondContact O-N 2.86Å; T271-V274 PolarHBondContact O-N 3.39Å; V274-A277 PolarHBondContact O-N 3.34Å; V274-K278 PolarHBondContact O-N 3.21Å
275	S	54.3	Low	57.7	Low	77 Å²	77	115.8 Å²	115.8	54%	0.538	61%	0.606	S	S	.	*	H	α-helix	trans	-63.4	-45.5	174.2	-63.2	0	0	0	0	112.1	T271 N272 A277 K278	T271-S275 PolarHBondContact O-N 2.82Å; T271-S275 PolarHBondContact O-OG 3.09Å; N272-S275 PolarHBondContact O-N 2.95Å; S275-A277 VanDerWaalsContact C-N 3.33Å; S275-A277 PolarHBondContact O-N 3.44Å; S275-K278 PolarHBondContact O-N 3.39Å
276	K	54.9	Low	57.3	Low	163 Å²	163	113.5 Å²	113.5	71%	0.709	60%	0.604	S	S	*	*	H	α-helix	trans	-65.5	-33.1	177.2	-74.4	-179.7	176.8	-179.8	0	112.9	N272 L273 K278	N272-K276 WeakPolarHBondContact O-CG 3.38Å; N272-K276 PolarHBondContact O-N 3.12Å; L273-K276 PolarHBondContact O-N 3.07Å; K276-K278 VanDerWaalsContact C-N 3.27Å; K276-K278 PolarHBondContact O-N 3.02Å
277	A	47.9	Very low	57.6	Low	71 Å²	71	114.8 Å²	114.8	59%	0.587	61%	0.613	S	S	*	*	H	α-helix	trans	-69.6	-18.6	178.4	0	0	0	0	0	114.4	L273 V274 S275	L273-A277 WeakPolarHBondContact O-CB 3.34Å; L273-A277 PolarHBondContact O-N 3.07Å; V274-A277 PolarHBondContact O-N 3.34Å; S275-A277 VanDerWaalsContact C-N 3.33Å; S275-A277 PolarHBondContact O-N 3.44Å
278	K	51.4	Low	57.9	Low	170 Å²	170	112.6 Å²	112.6	74%	0.739	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-6.1	-177.6	-76.8	-175.4	174.9	-176	0	115.2	V274 S275 K276	V274-K278 PolarHBondContact O-N 3.21Å; S275-K278 PolarHBondContact O-N 3.39Å; K276-K278 VanDerWaalsContact C-N 3.27Å; K276-K278 PolarHBondContact O-N 3.02Å
279	L	48.5	Very low	58.2	Low	156 Å²	156	110.6 Å²	110.6	82%	0.817	60%	0.596	S	S	*	*	S	Bend	trans	-104.9	-6.2	-174.6	-117	73	0	0	0	115.6
280	S	42.6	Very low	58.9	Low	93 Å²	93	110.4 Å²	110.4	65%	0.65	59%	0.593	S	S	*	*			trans	-97.8	18.6	-168.6	56.4	0	0	0	0	115.4	T282	S280-T282 PolarHBondContact O-N 3.4Å; S280-T282 VanDerWaalsContact O-N 3.07Å
281	N	41.8	Very low	59.6	Low	165 Å²	165	109.4 Å²	109.4	88%	0.882	59%	0.591	S	S	*	*			trans	-87.9	37	-168.1	-140.6	11.3	0	0	0	114.6
282	T	51.6	Low	60.3	Low	118 Å²	118	109.6 Å²	109.6	72%	0.724	59%	0.586	S	S	*	*			trans	-123.5	113.9	177.1	41.8	0	0	0	0	110.6	S280 Q284	S280-T282 PolarHBondContact O-N 3.4Å; S280-T282 VanDerWaalsContact O-N 3.07Å; T282-Q284 PolarHBondContact O-N 3.05Å; T282-Q284 VanDerWaalsContact O-N 3.1Å
283	K	54.9	Low	61.3	Low	199 Å²	199	112.3 Å²	112.3	87%	0.865	59%	0.591	S	S	*	*			trans	-72.9	101.4	179.1	-75.3	-179.2	177.4	173.9	0	110.8
284	Q	58.7	Low	62.9	Low	93 Å²	93	111.2 Å²	111.2	44%	0.435	58%	0.583	S	S	.	*			trans	-62.7	146.3	167.2	-75.2	-177.8	-22.7	0	0	111.4	T282 Q288	T282-Q284 PolarHBondContact O-N 3.05Å; T282-Q284 VanDerWaalsContact O-N 3.1Å; Q284-Q288 HydrophobicContact CB-CB 4.47Å
285	P	65.9	Low	64.3	Low	63 Å²	63	111.7 Å²	111.7	41%	0.409	58%	0.579	S	S	.	*			trans	-65	155	176.6	27.6	-35.6	0	0	0	112.2	S287 Q288 Q289	P285-S287 PolarHBondContact O-N 3.16Å; P285-S287 VanDerWaalsContact O-N 3.13Å; P285-Q288 HydrophobicContact CG-CG 4.16Å; P285-Q288 PolarHBondContact O-N 3.32Å; P285-Q288 VanDerWaalsContact O-N 3.15Å; P285-Q289 PolarHBondContact O-N 3.31Å
286	P	63.1	Low	65.9	Low	99 Å²	99	113.8 Å²	113.8	64%	0.643	58%	0.581	S	S	*	*	H	α-helix	trans	-63.7	-22.1	-173.2	24.3	-34.3	0	0	0	114.4	Q290	P286-Q290 PolarHBondContact O-N 3.3Å; P286-Q290 VanDerWaalsContact O-N 3.08Å
287	S	69.6	Low	67.2	Low	75 Å²	75	112 Å²	112	52%	0.524	57%	0.569	S	S	.	*	H	α-helix	trans	-60.7	-52.4	171.8	45.6	0	0	0	0	112	P285 Q289 Q290 E291	P285-S287 PolarHBondContact O-N 3.16Å; P285-S287 VanDerWaalsContact O-N 3.13Å; S287-Q289 VanDerWaalsContact C-N 3.28Å; S287-Q289 PolarHBondContact O-N 2.93Å; S287-Q290 WeakPolarHBondContact O-CA 3.47Å; S287-Q290 WeakPolarHBondContact O-CB 3.37Å; S287-Q290 PolarHBondContact O-N 2.87Å; S287-E291 PolarHBondContact O-N 3.36Å
288	Q	73.6	Confident	69.1	Low	80 Å²	80	113.8 Å²	113.8	37%	0.374	57%	0.566	S	S	.	*	H	α-helix	trans	-62.1	-35	179.4	-72.3	-179.2	-14.9	0	0	112.2	Q284 P285 Q290 E291 Q292	Q284-Q288 HydrophobicContact CB-CB 4.47Å; P285-Q288 HydrophobicContact CG-CG 4.16Å; P285-Q288 PolarHBondContact O-N 3.32Å; P285-Q288 VanDerWaalsContact O-N 3.15Å; Q288-Q290 VanDerWaalsContact C-N 3.35Å; Q288-E291 PolarHBondContact O-N 3.08Å; Q288-Q292 WeakPolarHBondContact O-CB 3.29Å; Q288-Q292 WeakPolarHBondContact O-CG 3.42Å; Q288-Q292 PolarHBondContact O-N 3Å
289	Q	74	Confident	70.7	Confident	98 Å²	98	111 Å²	111	46%	0.458	56%	0.555	S	S	.	*	H	α-helix	trans	-67.2	-33.6	171.7	-71.4	-167.5	-12.1	0	0	112.8	P285 S287 R293	P285-Q289 PolarHBondContact O-N 3.31Å; S287-Q289 VanDerWaalsContact C-N 3.28Å; S287-Q289 PolarHBondContact O-N 2.93Å; Q289-R293 WeakPolarHBondContact O-CB 3.4Å; Q289-R293 VanDerWaalsContact O-CG 3.31Å; Q289-R293 WeakPolarHBondContact O-CG 3.34Å; Q289-R293 PolarHBondContact O-N 3.32Å; Q289-R293 PolarHBondContact O-NE 3.18Å; Q289-R293 PolarHBondContact O-NH2 3.1Å
290	Q	79.1	Confident	72.2	Confident	123 Å²	123	109.2 Å²	109.2	58%	0.575	54%	0.543	S	S	*	.	H	α-helix	trans	-71.4	-38.1	176.5	-171.4	162.3	-22.2	0	0	111.6	P286 S287 Q288 R293 Q294	P286-Q290 PolarHBondContact O-N 3.3Å; P286-Q290 VanDerWaalsContact O-N 3.08Å; S287-Q290 WeakPolarHBondContact O-CA 3.47Å; S287-Q290 WeakPolarHBondContact O-CB 3.37Å; S287-Q290 PolarHBondContact O-N 2.87Å; Q288-Q290 VanDerWaalsContact C-N 3.35Å; Q290-R293 PolarHBondContact O-N 3.34Å; Q290-Q294 PolarHBondContact O-N 3.37Å; Q290-Q294 VanDerWaalsContact O-N 3.07Å
291	E	82.7	Confident	74.1	Confident	104 Å²	104	109.6 Å²	109.6	49%	0.486	53%	0.534	S	S	.	.	H	α-helix	trans	-67.8	-47.6	176.1	-169.6	170	-159.4	0	0	112.4	S287 Q288 R293 Q294 Q295	S287-E291 PolarHBondContact O-N 3.36Å; Q288-E291 PolarHBondContact O-N 3.08Å; E291-R293 PolarHBondContact O-N 3.16Å; E291-Q294 WeakPolarHBondContact O-CA 3.43Å; E291-Q294 WeakPolarHBondContact O-CB 3.31Å; E291-Q294 PolarHBondContact O-N 3.39Å; E291-Q295 PolarHBondContact O-N 3.33Å
292	Q	82.3	Confident	75.8	Confident	83 Å²	83	106.9 Å²	106.9	39%	0.388	52%	0.516	S	S	.	.	H	α-helix	trans	-57	-37.6	171.7	-75.8	169.6	11.3	0	0	112.3	Q288 Q294 Q295 Q296	Q288-Q292 WeakPolarHBondContact O-CB 3.29Å; Q288-Q292 WeakPolarHBondContact O-CG 3.42Å; Q288-Q292 PolarHBondContact O-N 3Å; Q292-Q294 VanDerWaalsContact C-N 3.3Å; Q292-Q294 PolarHBondContact O-N 3.1Å; Q292-Q295 PolarHBondContact O-N 3.38Å; Q292-Q296 WeakPolarHBondContact O-CB 3.31Å; Q292-Q296 WeakPolarHBondContact O-CG 3.5Å; Q292-Q296 PolarHBondContact O-N 3.31Å
293	R	80	Confident	76.9	Confident	123 Å²	123	107 Å²	107	46%	0.464	51%	0.509	S	S	.	.	H	α-helix	trans	-74.1	-16.7	175.1	-74.6	175.2	-65.1	-164.3	-1.1	113.6	Q289 Q290 E291 R297	Q289-R293 WeakPolarHBondContact O-CB 3.4Å; Q289-R293 VanDerWaalsContact O-CG 3.31Å; Q289-R293 WeakPolarHBondContact O-CG 3.34Å; Q289-R293 PolarHBondContact O-N 3.32Å; Q289-R293 PolarHBondContact O-NE 3.18Å; Q289-R293 PolarHBondContact O-NH2 3.1Å; Q290-R293 PolarHBondContact O-N 3.34Å; E291-R293 PolarHBondContact O-N 3.16Å; R293-R297 PolarHBondContact O-NH1 2.97Å
294	Q	86.4	Confident	77.7	Confident	96 Å²	96	103.6 Å²	103.6	45%	0.449	50%	0.496	S	S	.	.	H	α-helix	trans	-81	-47.4	168.1	-78	169.1	-45.3	0	0	110.3	Q290 E291 Q292 Q296 R297 Q298	Q290-Q294 PolarHBondContact O-N 3.37Å; Q290-Q294 VanDerWaalsContact O-N 3.07Å; E291-Q294 WeakPolarHBondContact O-CA 3.43Å; E291-Q294 WeakPolarHBondContact O-CB 3.31Å; E291-Q294 PolarHBondContact O-N 3.39Å; Q292-Q294 VanDerWaalsContact C-N 3.3Å; Q292-Q294 PolarHBondContact O-N 3.1Å; Q294-Q296 VanDerWaalsContact C-N 3.33Å; Q294-Q296 PolarHBondContact O-N 2.93Å; Q294-R297 PolarHBondContact O-N 2.96Å; Q294-Q298 PolarHBondContact O-N 3.36Å
295	Q	87.3	Confident	77.9	Confident	96 Å²	96	104.8 Å²	104.8	45%	0.449	50%	0.501	S	S	.	.	H	α-helix	trans	-58.2	-41.6	176.3	-67.5	172.7	0.9	0	0	112.3	E291 Q292 R297 Q298 Q299	E291-Q295 PolarHBondContact O-N 3.33Å; Q292-Q295 PolarHBondContact O-N 3.38Å; Q295-R297 VanDerWaalsContact C-N 3.31Å; Q295-R297 PolarHBondContact O-N 3.03Å; Q295-Q298 PolarHBondContact O-N 3.29Å; Q295-Q299 WeakPolarHBondContact O-CG 3.41Å; Q295-Q299 PolarHBondContact O-N 3.3Å
296	Q	87	Confident	77.5	Confident	121 Å²	121	108.7 Å²	108.7	57%	0.565	51%	0.514	S	S	*	.	H	α-helix	trans	-64.2	-30	174.2	-79.1	-176.3	-15.4	0	0	113.9	Q292 Q294 Q300	Q292-Q296 WeakPolarHBondContact O-CB 3.31Å; Q292-Q296 WeakPolarHBondContact O-CG 3.5Å; Q292-Q296 PolarHBondContact O-N 3.31Å; Q294-Q296 VanDerWaalsContact C-N 3.33Å; Q294-Q296 PolarHBondContact O-N 2.93Å; Q296-Q300 WeakPolarHBondContact O-CG 3.45Å; Q296-Q300 PolarHBondContact O-N 2.61Å
297	R	82.1	Confident	76.9	Confident	126 Å²	126	111.3 Å²	111.3	48%	0.475	52%	0.522	S	S	.	.	H	α-helix	trans	-75.3	-42.4	173.5	-75	-164.3	-56	-80.3	1.6	111.6	R293 Q294 Q295 Q299 Q300 E301	R293-R297 PolarHBondContact O-NH1 2.97Å; Q294-R297 PolarHBondContact O-N 2.96Å; Q295-R297 VanDerWaalsContact C-N 3.31Å; Q295-R297 PolarHBondContact O-N 3.03Å; R297-Q299 VanDerWaalsContact C-N 3.31Å; R297-Q299 PolarHBondContact O-N 2.95Å; R297-Q300 CarbonylContact O-C 2.88Å; R297-Q300 PolarHBondContact O-N 3.41Å; R297-E301 WeakPolarHBondContact O-CB 3.5Å; R297-E301 WeakPolarHBondContact O-CG 3.31Å; R297-E301 PolarHBondContact O-N 3.22Å
298	Q	87.6	Confident	75.6	Confident	109 Å²	109	111.7 Å²	111.7	51%	0.509	53%	0.525	S	S	.	.	H	α-helix	trans	-58	-44	174.5	-71.2	177.4	-57.1	0	0	111.4	Q294 Q295 Q300 E301 E302	Q294-Q298 PolarHBondContact O-N 3.36Å; Q295-Q298 PolarHBondContact O-N 3.29Å; Q298-Q300 VanDerWaalsContact C-N 3.32Å; Q298-Q300 PolarHBondContact O-N 3.15Å; Q298-E301 PolarHBondContact O-N 3.38Å; Q298-E301 VanDerWaalsContact O-N 3.17Å; Q298-E302 WeakPolarHBondContact O-CB 3.45Å; Q298-E302 WeakPolarHBondContact O-CG 3.47Å; Q298-E302 PolarHBondContact O-N 2.95Å
299	Q	85.3	Confident	74	Confident	111 Å²	111	116.6 Å²	116.6	52%	0.519	54%	0.541	S	S	.	.	H	α-helix	trans	-63.4	-33.1	174.8	-72	177.6	-5.5	0	0	113.5	Q295 R297 Q303	Q295-Q299 WeakPolarHBondContact O-CG 3.41Å; Q295-Q299 PolarHBondContact O-N 3.3Å; R297-Q299 VanDerWaalsContact C-N 3.31Å; R297-Q299 PolarHBondContact O-N 2.95Å; Q299-Q303 WeakPolarHBondContact O-CB 3.44Å; Q299-Q303 VanDerWaalsContact O-CG 3.29Å; Q299-Q303 WeakPolarHBondContact O-CG 3.34Å; Q299-Q303 PolarHBondContact O-N 3.25Å
300	Q	80.4	Confident	72.3	Confident	118 Å²	118	117.4 Å²	117.4	55%	0.551	56%	0.555	S	S	*	*	H	α-helix	trans	-74.5	-32.6	173.7	-75.8	-180	-15.4	0	0	112.8	Q296 R297 Q298 Q304	Q296-Q300 WeakPolarHBondContact O-CG 3.45Å; Q296-Q300 PolarHBondContact O-N 2.61Å; R297-Q300 CarbonylContact O-C 2.88Å; R297-Q300 PolarHBondContact O-N 3.41Å; Q298-Q300 VanDerWaalsContact C-N 3.32Å; Q298-Q300 PolarHBondContact O-N 3.15Å; Q300-Q304 WeakPolarHBondContact O-CB 3.09Å; Q300-Q304 WeakPolarHBondContact O-CG 3.47Å; Q300-Q304 PolarHBondContact O-N 3.45Å; Q300-Q304 VanDerWaalsContact O-N 3.12Å; Q300-Q304 PolarHBondContact O-NE2 2.91Å
301	E	82	Confident	70.1	Confident	101 Å²	101	121.6 Å²	121.6	47%	0.472	57%	0.572	S	S	.	*	H	α-helix	trans	-72.8	-36.6	174.7	-72.1	161.2	-169	0	0	111	R297 Q298 Q305	R297-E301 WeakPolarHBondContact O-CB 3.5Å; R297-E301 WeakPolarHBondContact O-CG 3.31Å; R297-E301 PolarHBondContact O-N 3.22Å; Q298-E301 PolarHBondContact O-N 3.38Å; Q298-E301 VanDerWaalsContact O-N 3.17Å; E301-Q305 WeakPolarHBondContact O-CB 3.5Å; E301-Q305 WeakPolarHBondContact O-CG 3.43Å; E301-Q305 PolarHBondContact O-N 3.26Å; E301-Q305 PolarHBondContact O-NE2 2.77Å
302	E	79.2	Confident	67.7	Low	108 Å²	108	123.2 Å²	123.2	51%	0.505	58%	0.584	S	S	.	*	H	α-helix	trans	-67.3	-43.4	172.3	-75	174.7	162.6	0	0	112.1	Q298 Q304 Q305 Q306	Q298-E302 WeakPolarHBondContact O-CB 3.45Å; Q298-E302 WeakPolarHBondContact O-CG 3.47Å; Q298-E302 PolarHBondContact O-N 2.95Å; E302-Q304 VanDerWaalsContact C-N 3.33Å; E302-Q304 PolarHBondContact O-N 2.97Å; E302-Q305 PolarHBondContact O-N 3.11Å; E302-Q306 WeakPolarHBondContact O-CG 3.39Å; E302-Q306 PolarHBondContact O-N 2.84Å
303	Q	74.8	Confident	65.3	Low	121 Å²	121	128 Å²	128	57%	0.565	61%	0.608	S	S	*	*	H	α-helix	trans	-64.3	-36.5	175.2	-75.6	176.2	19.1	0	0	112.3	Q299 Q306 L307	Q299-Q303 WeakPolarHBondContact O-CB 3.44Å; Q299-Q303 VanDerWaalsContact O-CG 3.29Å; Q299-Q303 WeakPolarHBondContact O-CG 3.34Å; Q299-Q303 PolarHBondContact O-N 3.25Å; Q303-Q306 PolarHBondContact O-N 3.48Å; Q303-L307 WeakPolarHBondContact O-CG 3.45Å; Q303-L307 PolarHBondContact O-N 2.6Å
304	Q	70.6	Confident	63.2	Low	128 Å²	128	130.1 Å²	130.1	60%	0.598	63%	0.628	S	S	*	*	H	α-helix	trans	-68.3	-37.2	173.4	-79	168.9	80.7	0	0	112.4	Q300 E302 L307 S308	Q300-Q304 WeakPolarHBondContact O-CB 3.09Å; Q300-Q304 WeakPolarHBondContact O-CG 3.47Å; Q300-Q304 PolarHBondContact O-N 3.45Å; Q300-Q304 VanDerWaalsContact O-N 3.12Å; Q300-Q304 PolarHBondContact O-NE2 2.91Å; E302-Q304 VanDerWaalsContact C-N 3.33Å; E302-Q304 PolarHBondContact O-N 2.97Å; Q304-L307 PolarHBondContact O-N 3.06Å; Q304-S308 PolarHBondContact O-N 2.95Å; Q304-S308 PolarHBondContact O-OG 3.27Å
305	Q	63.3	Low	60.7	Low	118 Å²	118	130.9 Å²	130.9	55%	0.551	64%	0.641	S	S	*	*	H	α-helix	trans	-67.9	-36.7	174.3	-77.2	167	87.3	0	0	112.7	E301 E302 L307 S308 Y309	E301-Q305 WeakPolarHBondContact O-CB 3.5Å; E301-Q305 WeakPolarHBondContact O-CG 3.43Å; E301-Q305 PolarHBondContact O-N 3.26Å; E301-Q305 PolarHBondContact O-NE2 2.77Å; E302-Q305 PolarHBondContact O-N 3.11Å; Q305-L307 VanDerWaalsContact C-N 3.25Å; Q305-L307 PolarHBondContact O-N 3.05Å; Q305-S308 WeakPolarHBondContact CA-OG 3.23Å; Q305-S308 PolarHBondContact O-N 2.93Å; Q305-S308 VanDerWaalsContact O-N 3.08Å; Q305-S308 PolarHBondContact O-OG 2.92Å; Q305-S308 VanDerWaalsContact O-OG 3.1Å; Q305-Y309 WeakPolarHBondContact O-CD2 3.37Å; Q305-Y309 WeakPolarHBondContact O-CE2 3.48Å
306	Q	56.5	Low	58.3	Low	144 Å²	144	132.2 Å²	132.2	67%	0.673	66%	0.656	S	S	*	*	H	α-helix	trans	-66	-27.5	173.2	-72.1	175.9	39.9	0	0	112.7	E302 Q303 S308	E302-Q306 WeakPolarHBondContact O-CG 3.39Å; E302-Q306 PolarHBondContact O-N 2.84Å; Q303-Q306 PolarHBondContact O-N 3.48Å; Q306-S308 VanDerWaalsContact C-N 3.3Å
307	L	51.9	Low	55.7	Low	155 Å²	155	135.7 Å²	135.7	81%	0.812	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-3.4	172.5	-74.2	164.9	0	0	0	113.9	Q303 Q304 Q305	Q303-L307 WeakPolarHBondContact O-CG 3.45Å; Q303-L307 PolarHBondContact O-N 2.6Å; Q304-L307 PolarHBondContact O-N 3.06Å; Q305-L307 VanDerWaalsContact C-N 3.25Å; Q305-L307 PolarHBondContact O-N 3.05Å
308	S	42.6	Very low	53.3	Low	83 Å²	83	135.9 Å²	135.9	58%	0.58	68%	0.684	S	S	*	*			trans	-119.4	46.6	-176.1	72.4	0	0	0	0	114	Q304 Q305 Q306	Q304-S308 PolarHBondContact O-N 2.95Å; Q304-S308 PolarHBondContact O-OG 3.27Å; Q305-S308 WeakPolarHBondContact CA-OG 3.23Å; Q305-S308 PolarHBondContact O-N 2.93Å; Q305-S308 VanDerWaalsContact O-N 3.08Å; Q305-S308 PolarHBondContact O-OG 2.92Å; Q305-S308 VanDerWaalsContact O-OG 3.1Å; Q306-S308 VanDerWaalsContact C-N 3.3Å
309	Y	39.9	Very low	50.6	Low	182 Å²	182	137.3 Å²	137.3	71%	0.714	70%	0.695	S	S	*	*			trans	-101.8	131.4	169.1	-81.5	-86.6	0	0	0	111.8	Q305 F311	Q305-Y309 WeakPolarHBondContact O-CD2 3.37Å; Q305-Y309 WeakPolarHBondContact O-CE2 3.48Å; Y309-F311 PolarHBondContact O-N 3.04Å
310	P	37.7	Very low	48	Very low	116 Å²	116	138.2 Å²	138.2	75%	0.753	70%	0.704	S	S	*	*			trans	-75.9	126.5	-176.7	29.8	-34	0	0	0	111.9	N312	P310-N312 PolarHBondContact O-N 3.38Å
311	F	33.2	Very low	45.8	Very low	211 Å²	211	143.3 Å²	143.3	93%	0.925	72%	0.719	S	S	*	*			trans	-70.6	90.6	173.1	-102.7	-93.9	0	0	0	111.4	Y309	Y309-F311 PolarHBondContact O-N 3.04Å
312	N	32.4	Very low	43.5	Very low	138 Å²	138	143.5 Å²	143.5	74%	0.738	73%	0.727	S	S	*	*			trans	-161.8	94.5	163.4	-106.1	-25.1	0	0	0	110.3	P310	P310-N312 PolarHBondContact O-N 3.38Å
313	M	32.2	Very low	41.2	Very low	182 Å²	182	144.3 Å²	144.3	90%	0.897	74%	0.735	S	S	*	*			trans	-178	107.6	154.1	-100.2	-59.5	146.9	0	0	107.9
314	L	34	Very low	39.1	Very low	169 Å²	169	147.4 Å²	147.4	89%	0.885	75%	0.75	S	S	*	*			trans	-111.5	121.6	174	-167.2	86.3	0	0	0	109.5
315	P	35.6	Very low	37.7	Very low	111 Å²	111	149.2 Å²	149.2	72%	0.721	76%	0.763	S	S	*	*			trans	-113.4	139	158.7	2.8	18.8	0	0	0	111.6
316	T	35.4	Very low	36.1	Very low	124 Å²	124	150.4 Å²	150.4	76%	0.761	77%	0.772	S	S	*	*			trans	-63.7	148	169.1	45.3	0	0	0	0	112.3
317	K	32.9	Very low	34.9	Very low	194 Å²	194	148.3 Å²	148.3	84%	0.843	77%	0.773	S	S	*	*			trans	-179.3	123.3	131.6	-100	160.2	-176.9	-178.3	0	114.8
318	V	32.6	Very low	34	Very low	130 Å²	130	147.5 Å²	147.5	79%	0.788	77%	0.77	S	S	*	*			trans	74.7	143.5	135.1	178.2	0	0	0	0	118.9
319	N	29.8	Very low	33.7	Very low	139 Å²	139	150.8 Å²	150.8	74%	0.743	78%	0.776	S	S	*	*			trans	-84.5	171.7	-179.7	-48.3	-33.7	0	0	0	111.7
320	D	31.3	Very low	33.4	Very low	131 Å²	131	151 Å²	151	70%	0.701	78%	0.777	S	S	*	*				172.7	-179	112.2	-86.1	-24.9	0	0	0	111.6
321	Y	34	Very low	33	Very low	224 Å²	224	150.7 Å²	150.7	88%	0.878	77%	0.769	S	S	*	*			trans	76.1	40.6	-174.4	-64.3	-77.3	0	0	0	117.2
322	T	34.7	Very low	32.9	Very low	105 Å²	105	146.1 Å²	146.1	64%	0.644	75%	0.754	S	S	*	*				-17.1	154.6	125.9	35.9	0	0	0	0	119.3
323	N	29	Very low	32.9	Very low	125 Å²	125	145 Å²	145	67%	0.668	75%	0.748	S	S	*	*			trans	75.3	92.1	148.7	-61	-15	0	0	0	121.4
324	Q	32.2	Very low	32.9	Very low	186 Å²	186	144.4 Å²	144.4	87%	0.869	74%	0.743	S	S	*	*	S	Bend		-162.5	146	121.9	-111.2	157.1	80.5	0	0	111.6
325	L	39.9	Very low	32.6	Very low	166 Å²	166	146 Å²	146	87%	0.869	74%	0.738	S	S	*	*			trans	56.3	91.9	179.6	-50.5	174.1	0	0	0	114.9
326	L	31.3	Very low	32.2	Very low	144 Å²	144	147 Å²	147	75%	0.754	74%	0.738	S	S	*	*			cis	63.1	75.4	10.5	-97.9	170.4	0	0	0	116.3
327	S	30.7	Very low	31.9	Very low	100 Å²	100	145.5 Å²	145.5	70%	0.699	73%	0.732	S	S	*	*				-173.4	131.9	115	44.8	0	0	0	0	113.2
328	N	31.8	Very low	31.6	Very low	138 Å²	138	144.3 Å²	144.3	74%	0.738	74%	0.735	S	S	*	*			trans	64.3	154	159.4	-57.3	26.2	0	0	0	119.4
329	E	37.6	Very low	31.3	Very low	151 Å²	151	143.4 Å²	143.4	71%	0.706	73%	0.734	S	S	*	*			cis	-170.4	148.2	-26	-90.6	-177.9	133.3	0	0	102.4
330	Y	32.2	Very low	31.2	Very low	187 Å²	187	143.8 Å²	143.8	73%	0.733	73%	0.734	S	S	*	*			cis	-151.7	165.3	1.7	-136.1	-130.9	0	0	0	107.9
331	N	30.6	Very low	31	Very low	109 Å²	109	144.3 Å²	144.3	58%	0.583	74%	0.737	S	S	*	*			trans	16.4	143	141.7	-65.1	48.6	0	0	0	120.4
332	D	31.9	Very low	30.7	Very low	115 Å²	115	143.9 Å²	143.9	62%	0.615	74%	0.735	S	S	*	*			cis	-168.6	164.5	11.3	-123.4	-21.6	0	0	0	116.7
333	N	32.4	Very low	30.5	Very low	115 Å²	115	143.2 Å²	143.2	62%	0.615	74%	0.735	S	S	*	*			trans	63.3	115.5	143	-67.5	-39.1	0	0	0	124.5
334	H	32.1	Very low	30.6	Very low	169 Å²	169	142.4 Å²	142.4	78%	0.782	73%	0.73	S	S	*	*			trans	70.3	117.6	138.7	-77.3	-95.7	0	0	0	121.2
335	Y	27.4	Very low	30.6	Very low	202 Å²	202	137.4 Å²	137.4	79%	0.792	71%	0.706	S	S	*	*				78.2	89.6	55	-96.3	-109.9	0	0	0	117.4
336	N	27.4	Very low	30.2	Very low	132 Å²	132	136.7 Å²	136.7	71%	0.706	70%	0.698	S	S	*	*				80.1	159.8	109.5	-137.7	-15	0	0	0	121.7
337	S	27.6	Very low	30.1	Very low	93 Å²	93	136 Å²	136	65%	0.65	70%	0.695	S	S	*	*			trans	63.7	93.9	163.7	49.3	0	0	0	0	120.9
338	L	28.3	Very low	30	Very low	170 Å²	170	141.7 Å²	141.7	89%	0.89	70%	0.702	S	S	*	*				36.5	105.7	116.1	-71	157.2	0	0	0	118.9
339	S	26	Very low	29.9	Very low	110 Å²	110	139.3 Å²	139.3	77%	0.769	70%	0.697	S	S	*	*				-169	136.5	123.4	43.2	0	0	0	0	114.1
340	I	27.1	Very low	29.5	Very low	148 Å²	148	139.4 Å²	139.4	76%	0.759	70%	0.697	S	S	*	*			trans	43.7	132.9	133.3	-59.1	171.4	0	0	0	120.6
341	N	27.4	Very low	29.4	Very low	142 Å²	142	136.6 Å²	136.6	76%	0.759	70%	0.695	S	S	*	*			trans	83.5	121.7	159.6	-75.2	-16	0	0	0	121.6
342	Y	27.5	Very low	29.5	Very low	214 Å²	214	138 Å²	138	84%	0.839	70%	0.7	S	S	*	*				30.3	134.4	129.9	-88.5	-87.7	0	0	0	122.5
343	S	29.6	Very low	29.8	Very low	91 Å²	91	139.1 Å²	139.1	64%	0.636	70%	0.704	S	S	*	*			trans	83.3	99.6	143.7	-66.3	0	0	0	0	121.6
344	L	31.8	Very low	29.7	Very low	108 Å²	108	140.1 Å²	140.1	57%	0.565	71%	0.709	S	S	*	*				89.3	136.8	116.1	-72.5	173.6	0	0	0	122.6
345	K	31.9	Very low	29.9	Very low	82 Å²	82	136.3 Å²	136.3	36%	0.357	70%	0.701	S	S	.	*			trans	81.4	98	141.9	-72.5	165.9	-179.7	160	0	121	E165	E165-K345 IonicContact OE1-NZ 3.74Å; E165-K345 PolarHBondContact OE1-NZ 2.97Å
346	H	32	Very low	30.5	Very low	151 Å²	151	134.3 Å²	134.3	70%	0.699	70%	0.701	S	S	*	*				84.5	125.2	124	-74.7	-56.3	0	0	0	123.2
347	N	28.7	Very low	30.8	Very low	130 Å²	130	134.5 Å²	134.5	70%	0.695	70%	0.703	S	S	*	*			trans	59.5	130.5	131	-55.9	7.1	0	0	0	120.2
348	Y	29.8	Very low	31.2	Very low	218 Å²	218	135.6 Å²	135.6	86%	0.855	70%	0.701	S	S	*	*				-170.4	114.8	112.5	-102	-93.1	0	0	0	102.2
349	S	28.9	Very low	31.7	Very low	89 Å²	89	133.8 Å²	133.8	62%	0.622	69%	0.688	S	S	*	*				46	140.3	84.6	86.2	0	0	0	0	112.8
350	E	29.6	Very low	32.1	Very low	152 Å²	152	136.7 Å²	136.7	71%	0.71	68%	0.682	S	S	*	*			cis	-167.3	179.2	11.1	-152.8	173.5	-123.3	0	0	108.2
351	N	30.6	Very low	32.6	Very low	129 Å²	129	136.7 Å²	136.7	69%	0.69	68%	0.683	S	S	*	*			trans	68.2	159.3	155.4	-63.3	-36.4	0	0	0	117
352	I	30.7	Very low	33.2	Very low	137 Å²	137	132.7 Å²	132.7	70%	0.703	68%	0.676	S	S	*	*			cis	-158.8	157.3	12.3	-132.4	-89.1	0	0	0	110.6
353	M	39	Very low	33.8	Very low	139 Å²	139	130 Å²	130	69%	0.685	68%	0.676	S	S	*	*			trans	68.6	131.2	171.1	-61.7	-86.6	-111	0	0	117.4
354	N	31.4	Very low	34.2	Very low	137 Å²	137	132.4 Å²	132.4	73%	0.733	68%	0.682	S	S	*	*				73.4	135.7	50.1	-54	-24.1	0	0	0	112.1
355	S	35.6	Very low	34.7	Very low	88 Å²	88	134.6 Å²	134.6	62%	0.615	69%	0.694	S	S	*	*			cis	-159.6	168.5	33.7	-63.2	0	0	0	0	114.3
356	M	39.3	Very low	34.9	Very low	161 Å²	161	136.2 Å²	136.2	79%	0.793	71%	0.711	S	S	*	*			trans	74.5	129.2	155.6	-65.2	137.2	-171.6	0	0	117.2
357	N	33.1	Very low	35.2	Very low	136 Å²	136	136.4 Å²	136.4	73%	0.727	72%	0.717	S	S	*	*			cis	72.6	138.2	43.6	-63	53.6	0	0	0	111.8
358	D	36	Very low	35.8	Very low	115 Å²	115	138.8 Å²	138.8	62%	0.615	72%	0.724	S	S	*	*			cis	-157.2	178.7	1.1	-114.8	-37.2	0	0	0	107.2
359	E	39.1	Very low	36.2	Very low	133 Å²	133	137.5 Å²	137.5	62%	0.621	73%	0.725	S	S	*	*			cis	-148.8	166.8	11.3	-123.3	176.6	124.9	0	0	108.5
360	R	35.1	Very low	36.8	Very low	171 Å²	171	140.5 Å²	140.5	65%	0.645	74%	0.735	S	S	*	*				40.9	146	91.7	-61.3	-166.5	-76	-104.6	-8.6	117.8
361	D	38.6	Very low	37.2	Very low	147 Å²	147	141.7 Å²	141.7	79%	0.786	74%	0.74	S	S	*	*			cis	-163.3	-177.4	-15.5	-94.4	-19.1	0	0	0	106.1
362	G	38.6	Very low	37.6	Very low	58 Å²	58	143.3 Å²	143.3	60%	0.598	74%	0.743	S	S	*	*			cis	-177.9	-151.5	6.5	0	0	0	0	0	110.8
363	D	41	Very low	38	Very low	158 Å²	158	145.9 Å²	145.9	85%	0.845	75%	0.752	S	S	*	*			trans	62.3	158.8	165.9	-43.1	-21	0	0	0	119.5
364	D	37	Very low	37.8	Very low	141 Å²	141	146.8 Å²	146.8	75%	0.754	76%	0.755	S	S	*	*				-163	-160.8	-72.3	-106.8	-41.8	0	0	0	108.1
365	D	42	Very low	37.9	Very low	155 Å²	155	146.4 Å²	146.4	83%	0.829	76%	0.757	S	S	*	*			trans	69.5	111.4	-179.8	-53.6	-27.2	0	0	0	115.6
366	V	36	Very low	38	Very low	116 Å²	116	146 Å²	146	70%	0.703	76%	0.76	S	S	*	*			cis	92.3	159.7	26.9	-168.6	0	0	0	0	113.7
367	D	39.8	Very low	37.7	Very low	154 Å²	154	148.7 Å²	148.7	82%	0.824	76%	0.762	S	S	*	*			trans	84.5	104.5	-166.1	-54.1	-12.3	0	0	0	113.7
368	E	39.7	Very low	37.6	Very low	180 Å²	180	152.1 Å²	152.1	84%	0.841	77%	0.771	S	S	*	*			cis	96.4	154.4	24.1	-156.3	154.2	-134.1	0	0	115
369	E	40.2	Very low	37.5	Very low	191 Å²	191	152.2 Å²	152.2	89%	0.893	78%	0.776	S	S	*	*			trans	67.4	124.5	-172.5	-53	-177.9	172.5	0	0	116.2
370	D	40	Very low	36.9	Very low	153 Å²	153	154 Å²	154	82%	0.818	79%	0.786	S	S	*	*			cis	-142.2	-143.3	-15	-156.6	4.8	0	0	0	108.3
371	E	38.8	Very low	36.7	Very low	176 Å²	176	152.1 Å²	152.1	82%	0.822	79%	0.788	S	S	*	*			cis	-151.2	173.5	11.3	-163.5	-179.4	-154.7	0	0	108.6
372	E	39.3	Very low	36.2	Very low	163 Å²	163	151.3 Å²	151.3	76%	0.762	79%	0.794	S	S	*	*			trans	-66.6	160.3	-176.7	-63.4	-169.7	122.2	0	0	114.3
373	E	37.9	Very low	35.8	Very low	191 Å²	191	153.8 Å²	153.8	89%	0.893	80%	0.797	S	S	*	*			cis	-141.9	155.3	35.6	-169.7	178.7	-165.4	0	0	113.9
374	Q	34.5	Very low	35.3	Very low	159 Å²	159	151.1 Å²	151.1	74%	0.743	79%	0.791	S	S	*	*			trans	-87.5	174.9	-168.5	-37.6	-177	12.6	0	0	112.9
375	V	34.7	Very low	34.9	Very low	128 Å²	128	151.4 Å²	151.4	78%	0.776	79%	0.792	S	S	*	*			cis	-157.5	179	4.9	85.2	0	0	0	0	110.4
376	A	36.6	Very low	34.3	Very low	81 Å²	81	151.8 Å²	151.8	67%	0.669	79%	0.789	S	S	*	*			trans	84.6	99.3	163	0	0	0	0	0	120.6
377	Y	34.6	Very low	34.2	Very low	216 Å²	216	152.5 Å²	152.5	85%	0.847	79%	0.789	S	S	*	*				81.4	88.7	127.5	-111.2	-91.1	0	0	0	121
378	K	31.1	Very low	33.8	Very low	209 Å²	209	151.1 Å²	151.1	91%	0.909	78%	0.781	S	S	*	*			trans	-146.8	70.9	138.7	-163.7	-179.5	179.3	179.2	0	112.5
379	T	32.1	Very low	33.4	Very low	117 Å²	117	150.4 Å²	150.4	72%	0.718	78%	0.778	S	S	*	*			trans	-98.5	143.5	173.6	-50.5	0	0	0	0	111.4
380	M	28	Very low	32.9	Very low	171 Å²	171	145 Å²	145	84%	0.842	77%	0.774	S	S	*	*			trans	-64	163.5	174.6	-50.5	165.1	-157.7	0	0	111.4
381	I	30.8	Very low	32.5	Very low	130 Å²	130	145 Å²	145	67%	0.667	77%	0.772	S	S	*	*				167.4	135.5	109.5	-86	175.7	0	0	0	108.8	T383	I381-T383 HydrophobicContact CG2-CG2 3.39Å; I381-T383 VanDerWaalsContact CG2-OG1 3.27Å; I381-T383 WeakPolarHBondContact CG2-OG1 3.37Å
382	S	27.3	Very low	32	Very low	131 Å²	131	143.3 Å²	143.3	92%	0.916	77%	0.767	S	S	*	*			trans	-95.5	102.7	162.6	-61.7	0	0	0	0	108.6
383	T	30.3	Very low	31.8	Very low	109 Å²	109	142.7 Å²	142.7	67%	0.669	77%	0.766	S	S	*	*			trans	-132.5	141.1	173.8	38.4	0	0	0	0	112.4	I381	I381-T383 HydrophobicContact CG2-CG2 3.39Å; I381-T383 VanDerWaalsContact CG2-OG1 3.27Å; I381-T383 WeakPolarHBondContact CG2-OG1 3.37Å
384	S	31.4	Very low	31.7	Very low	102 Å²	102	140 Å²	140	71%	0.713	76%	0.757	S	S	*	*			trans	29.2	122.6	145	-50.7	0	0	0	0	119.3
385	N	28.4	Very low	31.9	Very low	147 Å²	147	136.3 Å²	136.3	79%	0.786	75%	0.75	S	S	*	*				58.7	135.8	65	-76.7	-11.8	0	0	0	114.9
386	H	29.8	Very low	31.8	Very low	163 Å²	163	136 Å²	136	76%	0.755	75%	0.748	S	S	*	*			trans	78.3	137.9	153.6	-94.3	-78	0	0	0	119.7
387	N	33.5	Very low	31.6	Very low	131 Å²	131	137 Å²	137	70%	0.701	75%	0.75	S	S	*	*			trans	74.3	147.6	157.8	-51.2	-7.3	0	0	0	117.3
388	D	30.4	Very low	31.5	Very low	125 Å²	125	133.6 Å²	133.6	67%	0.668	75%	0.745	S	S	*	*			cis	-164.2	170.3	-38.1	-124.8	-41.3	0	0	0	111.7	G390	D388-G390 PolarHBondContact O-N 2.95Å
389	H	32.4	Very low	31.6	Very low	166 Å²	166	129.9 Å²	129.9	77%	0.769	73%	0.734	S	S	*	*			trans	45.1	58.6	150	-72.9	-66.4	0	0	0	122.5
390	G	29	Very low	31.5	Very low	78 Å²	78	130.7 Å²	130.7	80%	0.804	74%	0.739	S	S	*	*				61.2	-140	127.8	0	0	0	0	0	121.2	D388	D388-G390 PolarHBondContact O-N 2.95Å
391	I	31.5	Very low	31.7	Very low	152 Å²	152	125.7 Å²	125.7	78%	0.779	73%	0.725	S	S	*	*			trans	83.3	105.5	-178.7	-60.6	-179.6	0	0	0	117.7
392	I	29.6	Very low	31.7	Very low	141 Å²	141	123.6 Å²	123.6	72%	0.723	72%	0.718	S	S	*	*			trans	65.8	127.1	142.8	-71.4	177.5	0	0	0	118.7
393	M	34.6	Very low	31.8	Very low	149 Å²	149	120.9 Å²	120.9	73%	0.734	70%	0.696	S	S	*	*			cis	-144.8	-177.6	-14	-54	-150.7	-178.3	0	0	107.7
394	N	35.1	Very low	31.8	Very low	134 Å²	134	119 Å²	119	72%	0.717	69%	0.685	S	S	*	*			cis	-155.9	164.1	12.4	-152.7	-5.5	0	0	0	113
395	S	38.5	Very low	31.7	Very low	83 Å²	83	118.7 Å²	118.7	58%	0.58	68%	0.678	S	S	*	*			trans	36.2	82.5	155	59.5	0	0	0	0	117.7
396	T	33.8	Very low	31.7	Very low	122 Å²	122	117 Å²	117	75%	0.748	67%	0.673	S	S	*	*				76.8	138.3	79.8	62.3	0	0	0	0	117.3
397	S	32.2	Very low	31.7	Very low	101 Å²	101	114.7 Å²	114.7	71%	0.706	67%	0.671	S	S	*	*			trans	75.7	141.7	138.5	62	0	0	0	0	120.4
398	I	32.2	Very low	31.5	Very low	144 Å²	144	114.2 Å²	114.2	74%	0.738	67%	0.673	S	S	*	*			cis	-155.1	139.3	-5.6	-118	163.9	0	0	0	111.6
399	I	32.1	Very low	31.5	Very low	132 Å²	132	113.4 Å²	113.4	68%	0.677	67%	0.673	S	S	*	*			trans	32.5	144.7	143.3	-46.3	160.7	0	0	0	121.3
400	T	31.6	Very low	31.5	Very low	133 Å²	133	111.3 Å²	111.3	82%	0.816	67%	0.672	S	S	*	*			trans	66.9	146.9	160.6	43.7	0	0	0	0	118.5
401	A	31.8	Very low	31.8	Very low	67 Å²	67	112.7 Å²	112.7	55%	0.554	67%	0.665	S	S	*	*			cis	-165.3	-166.8	-18.3	0	0	0	0	0	110
402	T	30.5	Very low	32	Very low	86 Å²	86	111 Å²	111	53%	0.528	66%	0.662	S	S	.	*			trans	9	136.6	145.5	52.7	0	0	0	0	118.7
403	T	30.2	Very low	32.2	Very low	74 Å²	74	111.1 Å²	111.1	45%	0.454	66%	0.662	S	S	.	*			cis	-172.1	-160.4	6.1	27.3	0	0	0	0	107.5	N153 K154	N153-T403 WeakPolarHBondContact O-CG2 3.45Å; K154-T403 WeakPolarHBondContact O-CG2 3.28Å
404	T	29.4	Very low	32.2	Very low	70 Å²	70	109 Å²	109	43%	0.429	66%	0.658	S	S	.	*			trans	5.8	137.9	139.5	58	0	0	0	0	118.2	T152	T152-T404 WeakPolarHBondContact OG1-CG2 2.76Å
405	T	29.1	Very low	32.4	Very low	94 Å²	94	108 Å²	108	58%	0.577	66%	0.657	S	S	*	*			cis	-170.7	179.5	5.1	13.3	0	0	0	0	108.5
406	T	28.7	Very low	32.2	Very low	111 Å²	111	110.2 Å²	110.2	68%	0.681	66%	0.662	S	S	*	*			trans	13.9	132.3	149.5	62.1	0	0	0	0	118.2
407	T	29.5	Very low	32.2	Very low	116 Å²	116	108.2 Å²	108.2	71%	0.712	65%	0.65	S	S	*	*				-175.9	152.1	82.1	26.5	0	0	0	0	112.1
408	T	29.9	Very low	32.2	Very low	121 Å²	121	113.3 Å²	113.3	74%	0.742	65%	0.654	S	S	*	*			trans	63.6	163.7	148.3	54.9	0	0	0	0	117.8
409	T	30.9	Very low	32.2	Very low	107 Å²	107	112 Å²	112	66%	0.656	65%	0.648	S	S	*	*			cis	-151.7	135.9	4.1	-15	0	0	0	0	110.1
410	T	32.6	Very low	32.1	Very low	122 Å²	122	109 Å²	109	75%	0.748	64%	0.636	S	S	*	*			trans	55.6	169.4	149.1	45.2	0	0	0	0	118.3
411	T	34.6	Very low	32	Very low	107 Å²	107	105.6 Å²	105.6	66%	0.656	62%	0.618	S	S	*	*			cis	-148.3	139.3	9.4	-15.2	0	0	0	0	109.1
412	T	34.6	Very low	31.8	Very low	117 Å²	117	107.3 Å²	107.3	72%	0.718	62%	0.616	S	S	*	*			trans	35.9	139.7	138.3	61.4	0	0	0	0	120.3
413	I	35.2	Very low	31.5	Very low	143 Å²	143	106.3 Å²	106.3	73%	0.733	61%	0.613	S	S	*	*				-155.4	125.4	61.6	-87.9	-177.2	0	0	0	111.6
414	T	35	Very low	31.4	Very low	106 Å²	106	107.5 Å²	107.5	65%	0.65	63%	0.625	S	S	*	*			trans	44.7	137.4	148.8	66.1	0	0	0	0	123.9
415	T	37.5	Very low	31.4	Very low	112 Å²	112	113.1 Å²	113.1	69%	0.687	65%	0.646	S	S	*	*			trans	63.9	139.6	137.9	55.9	0	0	0	0	119.3
416	D	35.3	Very low	31.5	Very low	130 Å²	130	119 Å²	119	70%	0.695	66%	0.659	S	S	*	*			cis	-168.9	161	0.8	-112.6	-25.8	0	0	0	110.3
417	T	34	Very low	31.8	Very low	79 Å²	79	116.9 Å²	116.9	49%	0.485	65%	0.647	S	S	.	*			cis	-141.7	131.9	-30.7	-21.7	0	0	0	0	108	K542	T417-K542 PolarHBondContact O-NZ 2.97Å
418	W	31.2	Very low	32	Very low	208 Å²	208	115.2 Å²	115.2	79%	0.788	64%	0.637	S	S	*	*			trans	50.1	133.5	138.5	-76.6	62.1	0	0	0	124.1	K542	W418-K542 VanDerWaalsContact C-CE 3.48Å; W418-K542 WeakPolarHBondContact O-CD 3.5Å; W418-K542 WeakPolarHBondContact O-CE 3.47Å; W418-K542 PolarHBondContact O-NZ 3.33Å
419	N	32	Very low	32	Very low	118 Å²	118	115.9 Å²	115.9	63%	0.631	64%	0.636	S	S	*	*			trans	-78	165.3	169.9	-69.5	-29.7	0	0	0	113.2	K542	N419-K542 WeakPolarHBondContact OD1-CE 3.5Å
420	T	31.2	Very low	32	Very low	67 Å²	67	117.9 Å²	117.9	41%	0.411	64%	0.641	S	S	.	*			trans	-172.9	-171.2	143.4	19.3	0	0	0	0	110	F543 N544	T420-F543 WeakPolarHBondContact OG1-CD1 3.36Å; T420-N544 WeakPolarHBondContact CB-OD1 3.02Å; T420-N544 PolarHBondContact OG1-OD1 2.8Å; T420-N544 VanDerWaalsContact OG1-OD1 3.06Å
421	S	28.9	Very low	32.2	Very low	62 Å²	62	119.4 Å²	119.4	43%	0.434	64%	0.644	S	S	.	*				-163.5	-160.2	-120.7	44.1	0	0	0	0	113	N544 S545	S421-N544 CarbonylContact O-C 3.56Å; S421-S545 WeakPolarHBondContact CA-OG 3.45Å; S421-S545 PolarHBondContact N-OG 3.25Å; S421-S545 WeakPolarHBondContact O-CA 3.03Å; S421-S545 WeakPolarHBondContact O-CB 3.16Å; S421-S545 PolarHBondContact O-N 2.89Å; S421-S545 PolarHBondContact O-OG 3.02Å; S421-S545 PolarHBondContact OG-OG 3.42Å
422	I	26.7	Very low	32.3	Very low	103 Å²	103	118.8 Å²	118.8	53%	0.528	64%	0.641	S	S	.	*			trans	57.7	139.9	159.2	-46.6	167.2	0	0	0	119.4	S545	I422-S545 WeakPolarHBondContact CB-OG 3.33Å; I422-S545 WeakPolarHBondContact O-CA 3.38Å
423	S	26.3	Very low	32.2	Very low	66 Å²	66	121 Å²	121	46%	0.462	64%	0.644	S	S	.	*			trans	60.9	109.4	152.7	-77.1	0	0	0	0	125.7	P546	S423-P546 WeakPolarHBondContact CB-O 3.29Å; S423-P546 PolarHBondContact OG-O 3.05Å
424	S	26.9	Very low	32	Very low	99 Å²	99	121.9 Å²	121.9	69%	0.692	64%	0.644	S	S	*	*				71.8	159.1	108.1	88.4	0	0	0	0	123.3
425	Q	29.1	Very low	31.8	Very low	187 Å²	187	123.2 Å²	123.2	87%	0.874	65%	0.647	S	S	*	*			trans	90.1	124.5	169.7	-59.6	-170.2	1.7	0	0	118.2
426	Y	30.6	Very low	31.5	Very low	218 Å²	218	120.3 Å²	120.3	86%	0.855	63%	0.634	S	S	*	*			trans	-53.4	162.2	164.2	-86.6	-76.7	0	0	0	112.2
427	P	35.7	Very low	31.2	Very low	67 Å²	67	117.2 Å²	117.2	44%	0.435	62%	0.623	S	S	.	*			cis	-150.8	165.5	47.6	44.7	-25.1	0	0	0	119.9	N1143	P427-N1143 PolarHBondContact O-ND2 2.84Å; P427-N1143 VanDerWaalsContact O-ND2 3.14Å
428	T	34.4	Very low	31	Very low	80 Å²	80	118.7 Å²	118.7	49%	0.491	62%	0.622	S	S	.	*			trans	49.7	144.2	141.2	56.2	0	0	0	0	120.7
429	N	29.9	Very low	30.9	Very low	136 Å²	136	118.7 Å²	118.7	73%	0.727	62%	0.624	S	S	*	*			cis	-161.8	175	11.9	-133.1	-20.8	0	0	0	114.4
430	I	30.3	Very low	30.9	Very low	149 Å²	149	116.8 Å²	116.8	76%	0.764	62%	0.62	S	S	*	*			trans	76.2	79.2	154.9	-63.5	157.6	0	0	0	117.4
431	L	36.1	Very low	30.9	Very low	154 Å²	154	116.2 Å²	116.2	81%	0.806	62%	0.616	S	S	*	*			trans	-40.3	165.9	132	-138.1	52	0	0	0	111.4
432	P	38.2	Very low	30.8	Very low	93 Å²	93	116.4 Å²	116.4	60%	0.604	62%	0.617	S	S	*	*			cis	-157.9	171.4	32.2	44.4	-22.2	0	0	0	122.4
433	Q	32	Very low	31.1	Very low	163 Å²	163	112.8 Å²	112.8	76%	0.762	60%	0.601	S	S	*	*			trans	70.4	147.1	155.2	-72	158.9	53.2	0	0	117.4
434	H	31.8	Very low	31.2	Very low	162 Å²	162	113 Å²	113	75%	0.75	60%	0.597	S	S	*	*			cis	-135.8	139.7	17.3	-146.3	-75.8	0	0	0	113.4
435	L	30.5	Very low	31.4	Very low	135 Å²	135	115.3 Å²	115.3	71%	0.707	60%	0.597	S	S	*	*			trans	-99.4	166.9	169.2	-94.3	162.2	0	0	0	110.6
436	A	30.4	Very low	31.4	Very low	50 Å²	50	113.5 Å²	113.5	41%	0.413	59%	0.592	S	S	.	*			trans	76.9	145.1	167.8	0	0	0	0	0	117.8	M1229	A436-M1229 VanDerWaalsContact CA-CG 3.47Å; A436-M1229 VanDerWaalsContact CA-SD 3.59Å; A436-M1229 HydrophobicContact CB-CG 3.81Å
437	S	29.9	Very low	31.4	Very low	65 Å²	65	106.7 Å²	106.7	46%	0.455	58%	0.58	S	S	.	*			cis	-156.7	145.9	14.6	-14.6	0	0	0	0	118.4
438	F	30.3	Very low	31.2	Very low	110 Å²	110	111.8 Å²	111.8	48%	0.482	60%	0.596	S	S	.	*			trans	70.7	150.3	136	-87.4	-67.4	0	0	0	121.9	L1227 K1228	F438-L1227 VanDerWaalsContact CB-CA 3.44Å; F438-L1227 HydrophobicContact CB-CB 4.36Å; F438-L1227 HydrophobicContact CB-CD2 4.02Å; F438-L1227 VanDerWaalsContact CD1-C 3.41Å; F438-L1227 HydrophobicContact CD2-CB 3.51Å; F438-L1227 HydrophobicContact CD2-CD2 4.39Å; F438-L1227 HydrophobicContact CE2-CB 4.37Å; F438-L1227 WeakPolarHBondContact CE2-O 3.42Å; F438-L1227 HydrophobicContact CG-CB 4.17Å; F438-K1228 HydrophobicContact CD1-CB 3.83Å; F438-K1228 WeakPolarHBondContact CD1-O 3.34Å; F438-K1228 HydrophobicContact CD2-CB 3.47Å; F438-K1228 VanDerWaalsContact CD2-CB 3.47Å; F438-K1228 HydrophobicContact CD2-CG 3.75Å; F438-K1228 HydrophobicContact CE1-CB 3.19Å; F438-K1228 WeakPolarHBondContact CE1-O 3.46Å; F438-K1228 HydrophobicContact CE2-CB 2.77Å; F438-K1228 HydrophobicContact CE2-CD 4.25Å; F438-K1228 HydrophobicContact CE2-CG 3.13Å; F438-K1228 HydrophobicContact CG-CB 3.93Å; F438-K1228 HydrophobicContact CZ-CB 2.62Å; F438-K1228 HydrophobicContact CZ-CG 3.68Å
439	Y	29	Very low	31	Very low	208 Å²	208	116.4 Å²	116.4	82%	0.816	60%	0.604	S	S	*	*			trans	-79	170.4	156.8	-101.6	-100.9	0	0	0	112.4
440	S	31.1	Very low	31.1	Very low	79 Å²	79	118.4 Å²	118.4	55%	0.552	61%	0.606	S	S	*	*			trans	81.7	154.9	155.1	-151.6	0	0	0	0	120.4	H1225	S440-H1225 PolarHBondContact O-CE1 3.3Å; S440-H1225 PolarHBondContact O-ND1 2.85Å
441	T	31.2	Very low	30.9	Very low	55 Å²	55	115.9 Å²	115.9	34%	0.337	60%	0.601	S	S	.	*			trans	89.6	-4.1	153.1	39.2	0	0	0	0	126.5	R1224 H1225 K1226	T441-R1224 WeakPolarHBondContact CB-O 3.46Å; T441-R1224 CarbonylContact O-C 3.51Å; T441-R1224 WeakPolarHBondContact O-CA 3.4Å; T441-R1224 PolarHBondContact O-N 3.03Å; T441-H1225 PolarHBondContact O-N 3.3Å; T441-H1225 WeakPolarHBondContact OG1-CA 3.17Å; T441-K1226 PolarHBondContact OG1-N 2.95Å; T441-K1226 PolarHBondContact OG1-O 3.26Å
442	C	26.4	Very low	30.5	Very low	66 Å²	66	116.1 Å²	116.1	45%	0.446	60%	0.602	S	S	.	*			trans	62	-168	151.5	-169.3	0	0	0	0	117.4	N1223 R1224 H1225	C442-N1223 HydrophobicContact CB-CB 3.9Å; C442-N1223 WeakPolarHBondContact CB-OD1 3.19Å; C442-R1224 WeakPolarHBondContact O-CA 3.35Å; C442-H1225 PolarHBondContact N-CD2 3.34Å; C442-H1225 VanDerWaalsContact N-CD2 3.27Å; C442-H1225 PolarHBondContact N-CE1 2.89Å; C442-H1225 PolarHBondContact N-NE2 2.88Å; C442-H1225 VanDerWaalsContact N-NE2 3.14Å; C442-H1225 PolarHBondContact O-CD2 2.82Å; C442-H1225 PolarHBondContact O-N 2.72Å; C442-H1225 VanDerWaalsContact O-N 3.08Å
443	S	32.5	Very low	30.1	Very low	27 Å²	27	118.1 Å²	118.1	19%	0.189	61%	0.606	C	S	.	*			trans	79.4	143.2	167.2	-119.6	0	0	0	0	123.3	L1222 N1223 R1224	S443-L1222 WeakPolarHBondContact OG-CG 3.45Å; S443-N1223 WeakPolarHBondContact CB-O 3.44Å; S443-N1223 WeakPolarHBondContact OG-CB 3.22Å; S443-N1223 PolarHBondContact OG-O 2.81Å; S443-R1224 VanDerWaalsContact O-CZ 3.3Å; S443-R1224 PolarHBondContact O-NE 3.46Å; S443-R1224 PolarHBondContact O-NH2 3.45Å; S443-R1224 VanDerWaalsContact O-NH2 3.17Å
444	N	30.2	Very low	30	Very low	71 Å²	71	118.7 Å²	118.7	38%	0.38	61%	0.607	S	S	.	*			trans	43.4	120.9	157.5	-73.8	22.8	0	0	0	123	L1222 R1224	N444-L1222 WeakPolarHBondContact OD1-CD2 3.43Å; N444-R1224 PolarHBondContact O-NH1 2.92Å; N444-R1224 PolarHBondContact O-NH2 2.9Å
445	E	30.9	Very low	29.7	Very low	147 Å²	147	116.2 Å²	116.2	69%	0.687	60%	0.599	S	S	*	*				66.7	154.3	127.9	-66.4	-177.4	113.1	0	0	120.4
446	I	29.4	Very low	29.6	Very low	149 Å²	149	115.5 Å²	115.5	76%	0.764	60%	0.596	S	S	*	*			cis	-151.5	174.2	-37.9	-129.5	171.4	0	0	0	106.2
447	A	30.5	Very low	29.5	Very low	74 Å²	74	119.6 Å²	119.6	61%	0.612	61%	0.611	S	S	*	*			trans	-31.3	152.8	179.7	0	0	0	0	0	118
448	F	30.4	Very low	29.7	Very low	174 Å²	174	123.6 Å²	123.6	76%	0.763	62%	0.622	S	S	*	*				-153.5	128.1	108.6	-112.1	-137.1	0	0	0	106.7
449	R	31.1	Very low	29.9	Very low	177 Å²	177	124.8 Å²	124.8	67%	0.668	63%	0.629	S	S	*	*				68.7	126.4	84.2	-68.9	-174.9	177	-159.4	0	112.1
450	K	31.2	Very low	30.2	Very low	178 Å²	178	121.7 Å²	121.7	77%	0.774	62%	0.622	S	S	*	*				55.7	133.1	108.1	-53.8	-171.3	178.2	-169.1	0	112.8
451	C	26.1	Very low	30.2	Very low	97 Å²	97	124 Å²	124	66%	0.655	63%	0.628	S	S	*	*			cis	-172.1	154.4	47.2	-131	0	0	0	0	111.1
452	L	28.2	Very low	30.3	Very low	158 Å²	158	129.8 Å²	129.8	83%	0.827	65%	0.653	S	S	*	*			trans	64.2	176.4	157.6	-54.5	164.3	0	0	0	112.7
453	I	29.6	Very low	30.6	Very low	136 Å²	136	132.7 Å²	132.7	70%	0.697	66%	0.664	S	S	*	*			cis	-146.7	129.9	25.9	-87.3	-178.6	0	0	0	109
454	F	29.6	Very low	30.5	Very low	175 Å²	175	137.3 Å²	137.3	77%	0.768	69%	0.686	S	S	*	*			trans	57.1	156.9	147.6	-73.7	-125.2	0	0	0	119.3
455	N	26.4	Very low	30.5	Very low	110 Å²	110	142 Å²	142	59%	0.588	71%	0.705	S	S	*	*			cis	-153.4	158	-24.6	-129.6	9	0	0	0	109.9
456	N	27.5	Very low	30.5	Very low	119 Å²	119	139.2 Å²	139.2	64%	0.636	70%	0.702	S	S	*	*			trans	36.7	142.8	144.5	-61.8	-8	0	0	0	123
457	N	29	Very low	30.4	Very low	136 Å²	136	137.4 Å²	137.4	73%	0.727	70%	0.698	S	S	*	*			trans	76.5	147.4	163.1	-45.9	-30	0	0	0	115
458	H	34	Very low	30.3	Very low	150 Å²	150	140.5 Å²	140.5	69%	0.694	70%	0.704	S	S	*	*			cis	-128.6	143	9.7	-117	-88.1	0	0	0	111.8
459	H	34	Very low	30.2	Very low	135 Å²	135	142.4 Å²	142.4	63%	0.625	71%	0.708	S	S	*	*			trans	39.4	144.5	130	-71	-131	0	0	0	120.1
460	Q	34.5	Very low	30.2	Very low	143 Å²	143	139.3 Å²	139.3	67%	0.668	71%	0.713	S	S	*	*			cis	-164.9	151.5	16.6	-131.2	160.2	4.1	0	0	111.7
461	N	31.4	Very low	30.1	Very low	127 Å²	127	136.3 Å²	136.3	68%	0.679	71%	0.71	S	S	*	*			trans	61.9	144	158.3	-57.2	-13.3	0	0	0	117.9
462	M	34.2	Very low	30.2	Very low	176 Å²	176	141.5 Å²	141.5	87%	0.867	72%	0.717	S	S	*	*			cis	-121.7	142.6	8.4	-71.3	-75.8	-83	0	0	113.3
463	N	32.3	Very low	30.3	Very low	127 Å²	127	139.8 Å²	139.8	68%	0.679	71%	0.709	S	S	*	*			trans	-33.9	135.4	167.4	-83.3	15.1	0	0	0	117.1
464	I	30.8	Very low	30.2	Very low	125 Å²	125	139.1 Å²	139.1	64%	0.641	71%	0.707	S	S	*	*				77.3	114	83.3	-81.9	166.9	0	0	0	110.8
465	E	29.9	Very low	30.3	Very low	170 Å²	170	137.1 Å²	137.1	79%	0.794	70%	0.704	S	S	*	*				63.2	144.7	87.6	-78.9	-177.6	163.8	0	0	113.5
466	S	29.8	Very low	30.5	Very low	88 Å²	88	138 Å²	138	62%	0.615	71%	0.709	S	S	*	*			cis	-169.2	-160.3	-12.3	59.5	0	0	0	0	108.4
467	T	28.8	Very low	30.8	Very low	110 Å²	110	137.6 Å²	137.6	68%	0.675	72%	0.715	S	S	*	*			trans	69.5	155.7	175.2	75.8	0	0	0	0	115.1
468	N	28.7	Very low	31	Very low	139 Å²	139	141 Å²	141	74%	0.743	72%	0.718	S	S	*	*			cis	-132.8	160.9	19.9	-74.7	-78.3	0	0	0	111.6
469	Y	28.3	Very low	30.9	Very low	214 Å²	214	139.7 Å²	139.7	84%	0.839	71%	0.712	S	S	*	*			cis	74.9	105.1	42.5	-111.3	-73.7	0	0	0	115.8
470	S	30.7	Very low	30.9	Very low	112 Å²	112	140 Å²	140	78%	0.783	71%	0.714	S	S	*	*			trans	-174.6	145.8	152.6	-83.4	0	0	0	0	107.5
471	T	29.4	Very low	31	Very low	115 Å²	115	138.1 Å²	138.1	71%	0.706	72%	0.716	S	S	*	*			cis	-141.8	145.2	10.2	-7.2	0	0	0	0	106.4
472	Y	28.1	Very low	31.1	Very low	206 Å²	206	138.6 Å²	138.6	81%	0.808	72%	0.719	S	S	*	*	S	Bend		-157.5	169.7	65	-118.3	-87.5	0	0	0	113.2
473	N	28.6	Very low	30.8	Very low	122 Å²	122	134.4 Å²	134.4	65%	0.652	71%	0.706	S	S	*	*			trans	70.5	85.6	169.9	-75.2	-1.6	0	0	0	118.5
474	N	28.8	Very low	30.7	Very low	122 Å²	122	139.6 Å²	139.6	65%	0.652	72%	0.716	S	S	*	*				74.8	118.9	113.2	-62.8	-8.7	0	0	0	120.2
475	N	31.4	Very low	30.8	Very low	134 Å²	134	137.2 Å²	137.2	72%	0.717	72%	0.715	S	S	*	*			trans	72	140.6	142.3	-53.7	-15.2	0	0	0	116.8
476	N	31.2	Very low	30.8	Very low	129 Å²	129	134.8 Å²	134.8	69%	0.69	72%	0.717	S	S	*	*			cis	-168.5	142.8	-15.7	-113.7	-21.5	0	0	0	106.7
477	S	33.1	Very low	30.8	Very low	109 Å²	109	135 Å²	135	76%	0.762	72%	0.719	S	S	*	*			trans	60.5	158.6	157.9	60.9	0	0	0	0	117
478	R	32.8	Very low	31	Very low	207 Å²	207	135 Å²	135	78%	0.781	72%	0.723	S	S	*	*			cis	-166.4	162.5	-10.2	-114.2	167.4	155.8	177.6	-8	106.5
479	Q	32.8	Very low	31.6	Very low	123 Å²	123	133.2 Å²	133.2	58%	0.575	72%	0.719	S	S	*	*			trans	40.4	148.2	135	-62.8	171.8	-75.9	0	0	120.2
480	E	33.4	Very low	31.9	Very low	141 Å²	141	130.8 Å²	130.8	66%	0.659	72%	0.72	S	S	*	*			cis	-177.1	164	3	-116.1	157.3	-173.3	0	0	108.5
481	S	36.8	Very low	32.3	Very low	104 Å²	104	130.3 Å²	130.3	73%	0.727	71%	0.714	S	S	*	*			trans	65.9	161.8	143.9	80.8	0	0	0	0	118.5
482	D	33.1	Very low	32.6	Very low	138 Å²	138	129.5 Å²	129.5	74%	0.738	71%	0.713	S	S	*	*			cis	-158.7	168.1	-26.8	-125.8	-54.2	0	0	0	113.2
483	C	27.1	Very low	32.8	Very low	87 Å²	87	126 Å²	126	59%	0.588	71%	0.707	S	S	*	*			trans	34	137.8	144.2	-79.3	0	0	0	0	124.1
484	R	31.2	Very low	33.1	Very low	236 Å²	236	126.4 Å²	126.4	89%	0.891	71%	0.708	S	S	*	*			trans	70.9	163.2	138.4	-68.5	168.5	-178.5	176.4	-1.1	117.4
485	A	31.8	Very low	33.2	Very low	76 Å²	76	127.5 Å²	127.5	63%	0.628	71%	0.709	S	S	*	*			cis	-170.7	168.4	-31	0	0	0	0	0	108.4
486	S	31.6	Very low	33.3	Very low	118 Å²	118	126.1 Å²	126.1	83%	0.825	71%	0.706	S	S	*	*			trans	62.7	166.5	158.8	66.7	0	0	0	0	118
487	S	29.8	Very low	33.2	Very low	93 Å²	93	125.8 Å²	125.8	65%	0.65	70%	0.704	S	S	*	*			cis	-168.8	136.6	-41.1	57.1	0	0	0	0	110.7
488	S	33.3	Very low	33.3	Very low	111 Å²	111	125.8 Å²	125.8	78%	0.776	70%	0.695	S	S	*	*			trans	64.2	-170.9	155.2	-39.8	0	0	0	0	115.9
489	P	39.4	Very low	33.2	Very low	101 Å²	101	121.2 Å²	121.2	66%	0.656	69%	0.686	S	S	*	*			cis	-133.8	145.9	-31.8	20.1	1.7	0	0	0	115.4
490	L	34.6	Very low	33.1	Very low	162 Å²	162	117.6 Å²	117.6	85%	0.848	67%	0.671	S	S	*	*			trans	58.6	179.4	134	-66.7	170.4	0	0	0	120.5
491	P	39.8	Very low	32.8	Very low	103 Å²	103	115.3 Å²	115.3	67%	0.669	66%	0.663	S	S	*	*			cis	-128.2	-165.2	-29.1	24.7	-1.9	0	0	0	112.8
492	S	35.7	Very low	32.5	Very low	97 Å²	97	113.3 Å²	113.3	68%	0.678	65%	0.649	S	S	*	*			trans	86	139.3	141.1	-71.3	0	0	0	0	118.9
493	I	32.6	Very low	32.3	Very low	133 Å²	133	110.6 Å²	110.6	68%	0.682	64%	0.641	S	S	*	*			cis	-159	140.9	-3.4	-125.7	173	0	0	0	111.6
494	L	34	Very low	32.3	Very low	131 Å²	131	110.7 Å²	110.7	69%	0.686	64%	0.643	S	S	*	*			trans	59.7	154.3	155.6	-53.6	175.2	0	0	0	118.3
495	Q	32.5	Very low	32	Very low	144 Å²	144	107.6 Å²	107.6	67%	0.673	64%	0.64	S	S	*	*			cis	-152.1	140.4	-6.7	-131.9	154.4	-18.9	0	0	110.5
496	T	32.1	Very low	31.8	Very low	105 Å²	105	108.6 Å²	108.6	64%	0.644	64%	0.635	S	S	*	*			trans	43.3	140.4	132.9	62.5	0	0	0	0	120.4
497	N	29.8	Very low	31.6	Very low	122 Å²	122	108.5 Å²	108.5	65%	0.652	63%	0.625	S	S	*	*			cis	-176.8	163.1	11.2	-122.7	3.2	0	0	0	112.6
498	L	36.1	Very low	31.5	Very low	110 Å²	110	113 Å²	113	58%	0.576	63%	0.628	S	S	*	*			trans	60	168.5	150.1	-54.4	158.3	0	0	0	116.1	L500	L498-L500 HydrophobicContact CD2-CD1 4.33Å
499	D	29.5	Very low	31.3	Very low	111 Å²	111	110.6 Å²	110.6	59%	0.594	61%	0.611	S	S	*	*			cis	-108.3	124.5	-49.1	-89.3	-34.6	0	0	0	108.1
500	L	31	Very low	31.1	Very low	47 Å²	47	112.6 Å²	112.6	25%	0.246	61%	0.611	C	S	.	*				71.1	158.9	62.4	-52.5	-179.7	0	0	0	111.1	L498 N1119 G1120 S1121	L498-L500 HydrophobicContact CD2-CD1 4.33Å; L500-N1119 HydrophobicContact CB-CB 3.66Å; L500-N1119 VanDerWaalsContact CB-CG 3.49Å; L500-N1119 WeakPolarHBondContact CB-OD1 3.09Å; L500-N1119 HydrophobicContact CD1-CB 3.63Å; L500-N1119 HydrophobicContact CD2-CB 4.02Å; L500-N1119 HydrophobicContact CG-CB 3.91Å; L500-G1120 VanDerWaalsContact CD2-C 3.41Å; L500-G1120 VanDerWaalsContact CD2-N 3.3Å; L500-S1121 PolarHBondContact N-OG 3.25Å; L500-S1121 VanDerWaalsContact N-OG 3.14Å
501	N	28.1	Very low	30.9	Very low	92 Å²	92	107.7 Å²	107.7	49%	0.492	59%	0.588	S	S	.	*			trans	67.9	146.6	-175.8	-87	-26.5	0	0	0	119.5	G1118 N1119	N501-G1118 WeakPolarHBondContact OD1-CA 3.41Å; N501-G1118 PolarHBondContact OD1-N 2.71Å; N501-G1118 PolarHBondContact OD1-O 3.17Å; N501-N1119 VanDerWaalsContact CG-OD1 3.25Å; N501-N1119 PolarHBondContact N-OD1 3.35Å; N501-N1119 PolarHBondContact OD1-OD1 3.47Å; N501-N1119 VanDerWaalsContact OD1-OD1 3.12Å
502	S	28.9	Very low	30.3	Very low	63 Å²	63	106.8 Å²	106.8	44%	0.441	58%	0.577	S	S	.	*			cis	-161.9	161.1	-22.8	-144.4	0	0	0	0	113.4	G1118	S502-G1118 PolarHBondContact OG-O 2.83Å; S502-G1118 VanDerWaalsContact OG-O 3.12Å
503	S	29	Very low	30.2	Very low	81 Å²	81	105.3 Å²	105.3	57%	0.566	56%	0.562	S	S	*	*			trans	38.3	98.8	136.8	-56	0	0	0	0	118.4
504	S	26.7	Very low	30.1	Very low	89 Å²	89	105.9 Å²	105.9	62%	0.622	56%	0.56	S	S	*	*				84.8	146.7	69.8	71.9	0	0	0	0	114.2
505	M	26.2	Very low	30	Very low	171 Å²	171	105.3 Å²	105.3	84%	0.842	56%	0.558	S	S	*	*			trans	57.9	132.9	141.1	-67.1	170	-172.2	0	0	117.9
506	L	27.5	Very low	29.9	Very low	97 Å²	97	106.3 Å²	106.3	51%	0.508	56%	0.56	S	S	.	*			cis	-145.1	157.8	35.1	-71.8	162.2	0	0	0	111.3	P1113	L506-P1113 HydrophobicContact CD1-CB 3.73Å
507	N	27.7	Very low	29.9	Very low	116 Å²	116	108 Å²	108	62%	0.62	56%	0.563	S	S	*	*			trans	55.4	139.2	147.7	-60.7	3.6	0	0	0	119.1
508	R	27.5	Very low	30	Very low	187 Å²	187	106.8 Å²	106.8	71%	0.706	56%	0.564	S	S	*	*			cis	52.2	60.1	2.4	-130.7	-175.9	-162.3	-134.1	3.1	116
509	S	29.1	Very low	29.6	Very low	60 Å²	60	105.7 Å²	105.7	42%	0.42	57%	0.566	S	S	.	*			trans	-134.1	143.8	162.2	48.4	0	0	0	0	108.6
510	E	34.9	Very low	29.7	Very low	143 Å²	143	104.1 Å²	104.1	67%	0.668	56%	0.557	S	S	*	*			trans	27.9	114.3	161.8	-59.8	93.6	-117.2	0	0	118.3	N1093	E510-N1093 VanDerWaalsContact CB-ND2 3.31Å; E510-N1093 WeakPolarHBondContact CB-ND2 3.43Å; E510-N1093 PolarHBondContact O-ND2 2.95Å
511	V	29.9	Very low	29.6	Very low	60 Å²	60	104.9 Å²	104.9	36%	0.364	56%	0.56	S	S	.	*			cis	54.5	101.5	29	-158.3	0	0	0	0	112.4	N1093 N1095	V511-N1093 VanDerWaalsContact C-ND2 3.33Å; V511-N1093 PolarHBondContact N-ND2 3.46Å; V511-N1093 PolarHBondContact O-ND2 3.15Å; V511-N1095 WeakPolarHBondContact CA-ND2 3.37Å
512	D	28.4	Very low	29.7	Very low	83 Å²	83	106 Å²	106	44%	0.444	56%	0.563	S	S	.	*				158	98.4	128.2	-86.9	-37.1	0	0	0	114.9	F514 N1093 Q1094	D512-F514 WeakPolarHBondContact OD1-CE2 3.39Å; D512-N1093 PolarHBondContact N-ND2 2.91Å; D512-N1093 CarbonylContact O-C 3.57Å; D512-N1093 VanDerWaalsContact O-C 3.28Å; D512-N1093 WeakPolarHBondContact O-CA 3.24Å; D512-N1093 VanDerWaalsContact O-CB 3.24Å; D512-N1093 WeakPolarHBondContact O-CB 3.43Å; D512-N1093 PolarHBondContact O-N 2.91Å; D512-Q1094 PolarHBondContact N-O 3.32Å; D512-Q1094 PolarHBondContact O-N 2.85Å
513	N	33.1	Very low	29.8	Very low	66 Å²	66	107.8 Å²	107.8	35%	0.353	56%	0.563	S	S	.	*			trans	-170.1	111.6	143.6	-97.4	-28.5	0	0	0	107	N1093 N1095	N513-N1093 VanDerWaalsContact CB-O 3.27Å; N513-N1093 WeakPolarHBondContact CB-O 3.3Å; N513-N1093 PolarHBondContact ND2-N 2.91Å; N513-N1093 VanDerWaalsContact ND2-N 3.18Å; N513-N1093 PolarHBondContact ND2-O 2.89Å; N513-N1095 VanDerWaalsContact N-N 3.2Å; N513-N1095 CarbonylContact O-C 3.57Å; N513-N1095 PolarHBondContact O-N 3.31Å
514	F	29.6	Very low	29.9	Very low	146 Å²	146	107.6 Å²	107.6	64%	0.64	55%	0.552	S	S	*	*				40.2	90.8	56.9	-55.5	-82.6	0	0	0	111.6	D512	D512-F514 WeakPolarHBondContact OD1-CE2 3.39Å
515	N	33.5	Very low	30.1	Very low	119 Å²	119	108.3 Å²	108.3	64%	0.636	55%	0.549	S	S	*	.				-178.6	136.5	95.8	-86.7	-57.1	0	0	0	108.4
516	K	30	Very low	30.3	Very low	165 Å²	165	104.6 Å²	104.6	72%	0.717	54%	0.536	S	S	*	.			cis	77.8	135.8	49.6	-175.2	-157.6	175.7	-168.4	0	110.3
517	I	31.1	Very low	30.4	Very low	141 Å²	141	107 Å²	107	72%	0.723	55%	0.549	S	S	*	.			trans	68.6	110.3	179.8	-67.6	144.9	0	0	0	111.2
518	S	31.4	Very low	30.5	Very low	96 Å²	96	105.7 Å²	105.7	67%	0.671	55%	0.546	S	S	*	.				108.5	134.5	63.9	-125.2	0	0	0	0	107.9
519	S	28.6	Very low	30.6	Very low	87 Å²	87	103.2 Å²	103.2	61%	0.608	55%	0.546	S	S	*	.				74.3	146.2	100.1	-62.6	0	0	0	0	114.6
520	D	32.5	Very low	30.9	Very low	77 Å²	77	106 Å²	106	41%	0.412	57%	0.565	S	S	.	*			trans	74.6	135.9	164.5	-44.3	-51.1	0	0	0	117	K1081	D520-K1081 IonicContact OD1-NZ 2.71Å; D520-K1081 PolarHBondContact OD1-NZ 3Å
521	E	28.2	Very low	30.5	Very low	64 Å²	64	105.7 Å²	105.7	30%	0.299	57%	0.568	S	S	.	*			trans	1.6	136.4	137.5	-56.5	171.4	107.6	0	0	115.6	Q1255 T1256 M1257 D1258	E521-Q1255 HydrophobicContact CB-CB 4.23Å; E521-Q1255 HydrophobicContact CB-CG 3.43Å; E521-Q1255 VanDerWaalsContact CB-CG 3.43Å; E521-Q1255 HydrophobicContact CG-CG 4.4Å; E521-Q1255 PolarHBondContact O-NE2 3.38Å; E521-T1256 PolarHBondContact OE1-N 2.92Å; E521-M1257 PolarHBondContact OE1-N 2.89Å; E521-D1258 HydrophobicContact CG-CB 4.38Å; E521-D1258 WeakPolarHBondContact OE2-CB 3.4Å; E521-D1258 PolarHBondContact OE2-N 3.41Å
522	M	29.4	Very low	30.6	Very low	116 Å²	116	109.2 Å²	109.2	57%	0.571	59%	0.586	S	S	*	*				-158.6	-170.1	61	-36.2	158.8	140.6	0	0	115.6	N1254 Q1255	M522-N1254 HydrophobicContact CB-CB 3.73Å; M522-N1254 WeakPolarHBondContact CB-OD1 3.22Å; M522-N1254 HydrophobicContact CE-CB 3.7Å; M522-N1254 HydrophobicContact CG-CB 3.81Å; M522-N1254 HydrophobicContact SD-CB 3.55Å; M522-N1254 VanDerWaalsContact SD-CB 3.55Å; M522-N1254 PolarHBondContact SD-ND2 2.87Å; M522-N1254 VanDerWaalsContact SD-ND2 3.38Å; M522-Q1255 HydrophobicContact CE-CB 3.61Å; M522-Q1255 VanDerWaalsContact CE-CD 3.49Å; M522-Q1255 HydrophobicContact CE-CG 3.87Å; M522-Q1255 HydrophobicContact CG-CB 3.9Å; M522-Q1255 HydrophobicContact CG-CG 3.45Å; M522-Q1255 VanDerWaalsContact CG-CG 3.45Å; M522-Q1255 HydrophobicContact SD-CG 4.39Å
523	K	31.2	Very low	30.8	Very low	100 Å²	100	112.4 Å²	112.4	44%	0.435	60%	0.598	S	S	.	*			trans	-91.1	175.4	172.3	-42.3	158.4	171.1	156.3	0	113.9	H1252 M1253 N1254	K523-H1252 WeakPolarHBondContact CD-O 3.32Å; K523-H1252 WeakPolarHBondContact CE-O 3.43Å; K523-H1252 PolarHBondContact NZ-O 3.21Å; K523-M1253 VanDerWaalsContact CD-O 3.28Å; K523-M1253 WeakPolarHBondContact CD-O 3.37Å; K523-M1253 VanDerWaalsContact CE-O 3.25Å; K523-M1253 WeakPolarHBondContact CE-O 3.42Å; K523-M1253 PolarHBondContact NZ-O 3.39Å; K523-N1254 VanDerWaalsContact CA-OD1 3.32Å; K523-N1254 WeakPolarHBondContact CA-OD1 3.44Å; K523-N1254 WeakPolarHBondContact CB-OD1 3.44Å; K523-N1254 WeakPolarHBondContact CG-OD1 3.12Å; K523-N1254 PolarHBondContact N-OD1 2.77Å; K523-N1254 PolarHBondContact O-ND2 3.2Å; K523-N1254 PolarHBondContact O-OD1 2.85Å
524	F	30.6	Very low	30.6	Very low	76 Å²	76	116 Å²	116	33%	0.333	62%	0.616	S	S	.	*			trans	56.3	167.9	149.8	-92.6	-102.6	0	0	0	116.9	Y1250 Y1251	F524-Y1250 WeakPolarHBondContact CE2-O 3.41Å; F524-Y1250 VanDerWaalsContact CZ-O 3.22Å; F524-Y1250 WeakPolarHBondContact CZ-O 3.49Å; F524-Y1251 VanDerWaalsContact CB-C 3.46Å; F524-Y1251 HydrophobicContact CB-CD1 4.34Å; F524-Y1251 HydrophobicContact CB-CG 4.45Å; F524-Y1251 AromaticContact CD1-CG 3.85Å; F524-Y1251 HydrophobicContact CD1-CG 3.85Å; F524-Y1251 VanDerWaalsContact CD1-N 3.35Å; F524-Y1251 WeakPolarHBondContact CD1-O 3.4Å; F524-Y1251 AromaticContact CD2-CD1 3.15Å; F524-Y1251 HydrophobicContact CD2-CD1 3.15Å; F524-Y1251 AromaticContact CD2-CD2 3.76Å; F524-Y1251 HydrophobicContact CD2-CD2 3.76Å; F524-Y1251 HydrophobicContact CD2-CE1 4.27Å; F524-Y1251 AromaticContact CD2-CG 2.77Å; F524-Y1251 HydrophobicContact CD2-CG 2.77Å; F524-Y1251 HydrophobicContact CE1-CD2 4.27Å; F524-Y1251 AromaticContact CE1-CG 3.75Å; F524-Y1251 HydrophobicContact CE1-CG 3.75Å; F524-Y1251 WeakPolarHBondContact CE1-O 3.45Å; F524-Y1251 AromaticContact CE2-CD1 3.59Å; F524-Y1251 HydrophobicContact CE2-CD1 3.59Å; F524-Y1251 AromaticContact CE2-CD2 2.97Å; F524-Y1251 HydrophobicContact CE2-CD2 2.97Å; F524-Y1251 HydrophobicContact CE2-CE2 4.04Å; F524-Y1251 AromaticContact CE2-CG 2.63Å; F524-Y1251 HydrophobicContact CE2-CG 2.63Å; F524-Y1251 AromaticContact CG-CD1 3.76Å; F524-Y1251 HydrophobicContact CG-CD1 3.76Å; F524-Y1251 AromaticContact CG-CG 3.43Å; F524-Y1251 HydrophobicContact CG-CG 3.43Å; F524-Y1251 VanDerWaalsContact CG-CG 3.43Å; F524-Y1251 WeakPolarHBondContact CG-O 3.45Å; F524-Y1251 HydrophobicContact CZ-CD1 4.44Å; F524-Y1251 AromaticContact CZ-CD2 3.26Å; F524-Y1251 HydrophobicContact CZ-CD2 3.26Å; F524-Y1251 AromaticContact CZ-CG 3.14Å; F524-Y1251 HydrophobicContact CZ-CG 3.14Å
525	D	31.1	Very low	30.7	Very low	105 Å²	105	115.3 Å²	115.3	56%	0.561	62%	0.619	S	S	*	*			cis	-118.9	173.3	7.7	-81.2	-92	0	0	0	114.7	H1252	D525-H1252 IonicContact OD1-CD2 3.69Å; D525-H1252 IonicContact OD2-CD2 3.15Å; D525-H1252 PolarHBondContact OD2-CD2 3.47Å; D525-H1252 IonicContact OD2-NE2 3.83Å
526	V	30.5	Very low	30.5	Very low	92 Å²	92	116.8 Å²	116.8	56%	0.558	62%	0.622	S	S	*	*			trans	-107	138.1	175.7	173.3	0	0	0	0	110.5	T528	V526-T528 HydrophobicContact CG1-CG2 3.98Å
527	N	29.9	Very low	30.7	Very low	147 Å²	147	116.3 Å²	116.3	79%	0.786	63%	0.625	S	S	*	*			trans	-155.8	99.9	152.5	-136.6	-9.5	0	0	0	108.8
528	T	30.8	Very low	30.6	Very low	90 Å²	90	116.4 Å²	116.4	55%	0.552	63%	0.626	S	S	*	*				42.2	101.8	74	54.6	0	0	0	0	115.7	V526	V526-T528 HydrophobicContact CG1-CG2 3.98Å
529	N	28.2	Very low	30.7	Very low	135 Å²	135	117.8 Å²	117.8	72%	0.722	63%	0.631	S	S	*	*				168.6	127	102	-89.7	-37.7	0	0	0	113.7
530	S	35.5	Very low	30.9	Very low	117 Å²	117	117.7 Å²	117.7	82%	0.818	63%	0.63	S	S	*	*			trans	-168	106.3	139.2	48	0	0	0	0	107.9
531	N	27.8	Very low	30.8	Very low	137 Å²	137	118.8 Å²	118.8	73%	0.733	64%	0.644	S	S	*	*			trans	-80.2	-170.8	170.5	-65.8	-52.4	0	0	0	110
532	N	31.1	Very low	31.1	Very low	135 Å²	135	119.7 Å²	119.7	72%	0.722	65%	0.646	S	S	*	*			trans	75.5	142.6	175.6	-62.9	33.4	0	0	0	114.4
533	E	33	Very low	31.2	Very low	149 Å²	149	120.5 Å²	120.5	70%	0.696	65%	0.647	S	S	*	*			cis	-141.3	138.6	-9.6	-110.9	156.6	110.3	0	0	107.1
534	L	29	Very low	31.1	Very low	142 Å²	142	120.2 Å²	120.2	74%	0.743	65%	0.65	S	S	*	*				49.2	141	104.5	-76.9	174.8	0	0	0	116.4
535	N	31	Very low	31.4	Very low	132 Å²	132	118.3 Å²	118.3	71%	0.706	65%	0.647	S	S	*	*			trans	73.2	143.6	162.9	-57.2	-6.1	0	0	0	116.1
536	E	29.5	Very low	31.7	Very low	150 Å²	150	116.9 Å²	116.9	70%	0.701	64%	0.643	S	S	*	*			cis	-168.2	-165.7	-20.4	-128.2	174.6	160.4	0	0	110.2
537	M	34.9	Very low	31.7	Very low	155 Å²	155	118.2 Å²	118.2	76%	0.764	64%	0.644	S	S	*	*			trans	63	76	154.8	-73.6	171.5	-79.1	0	0	119.1
538	N	28.7	Very low	31.9	Very low	142 Å²	142	117.9 Å²	117.9	76%	0.759	64%	0.638	S	S	*	*			trans	-37.1	132.1	135.6	165.6	34.6	0	0	0	113.5
539	V	33.4	Very low	32.1	Very low	126 Å²	126	120.1 Å²	120.1	76%	0.764	64%	0.642	S	S	*	*			trans	-135.3	123.6	163.7	-178.4	0	0	0	0	110.4
540	S	32.2	Very low	32.3	Very low	84 Å²	84	119.7 Å²	119.7	59%	0.587	64%	0.636	S	S	*	*			trans	-118.2	130.6	177.5	-69.8	0	0	0	0	112.1	K542	S540-K542 WeakPolarHBondContact O-CE 3.25Å
541	S	31.7	Very low	32.6	Very low	101 Å²	101	121.4 Å²	121.4	71%	0.706	63%	0.631	S	S	*	*			trans	-165.5	139.9	174.2	52.2	0	0	0	0	113.7
542	K	33.5	Very low	32.8	Very low	82 Å²	82	120.9 Å²	120.9	36%	0.357	62%	0.624	S	S	.	*			cis	-179.4	176.9	-18.7	-108.4	142.5	-166	-179.3	0	108.7	T417 W418 N419 S540	T417-K542 PolarHBondContact O-NZ 2.97Å; W418-K542 VanDerWaalsContact C-CE 3.48Å; W418-K542 WeakPolarHBondContact O-CD 3.5Å; W418-K542 WeakPolarHBondContact O-CE 3.47Å; W418-K542 PolarHBondContact O-NZ 3.33Å; N419-K542 WeakPolarHBondContact OD1-CE 3.5Å; S540-K542 WeakPolarHBondContact O-CE 3.25Å
543	F	31.2	Very low	32.7	Very low	134 Å²	134	119.4 Å²	119.4	59%	0.588	62%	0.624	S	S	*	*			trans	77.6	143.9	155.9	-60.1	-48.3	0	0	0	118.8	T420	T420-F543 WeakPolarHBondContact OG1-CD1 3.36Å
544	N	30.3	Very low	32.8	Very low	94 Å²	94	118.9 Å²	118.9	50%	0.503	62%	0.622	S	S	.	*			cis	-156.5	174.1	-18.3	-143.1	-20.5	0	0	0	114.9	T420 S421	T420-N544 WeakPolarHBondContact CB-OD1 3.02Å; T420-N544 PolarHBondContact OG1-OD1 2.8Å; T420-N544 VanDerWaalsContact OG1-OD1 3.06Å; S421-N544 CarbonylContact O-C 3.56Å
545	S	36	Very low	33	Very low	36 Å²	36	116.2 Å²	116.2	25%	0.252	62%	0.615	S	S	.	*			trans	-92.1	-175	-169.4	-56.1	0	0	0	0	113.6	S421 I422	S421-S545 WeakPolarHBondContact CA-OG 3.45Å; S421-S545 PolarHBondContact N-OG 3.25Å; S421-S545 WeakPolarHBondContact O-CA 3.03Å; S421-S545 WeakPolarHBondContact O-CB 3.16Å; S421-S545 PolarHBondContact O-N 2.89Å; S421-S545 PolarHBondContact O-OG 3.02Å; S421-S545 PolarHBondContact OG-OG 3.42Å; I422-S545 WeakPolarHBondContact CB-OG 3.33Å; I422-S545 WeakPolarHBondContact O-CA 3.38Å
546	P	37.5	Very low	32.7	Very low	75 Å²	75	118.8 Å²	118.8	49%	0.487	62%	0.615	S	S	.	*			cis	-126.5	-150.5	0.9	28.3	-1.2	0	0	0	111.2	S423	S423-P546 WeakPolarHBondContact CB-O 3.29Å; S423-P546 PolarHBondContact OG-O 3.05Å
547	M	30.3	Very low	32.9	Very low	119 Å²	119	123 Å²	123	59%	0.586	63%	0.625	S	S	*	*			cis	-175.9	150.4	26.7	-158.4	165.9	61.5	0	0	112.9
548	Q	34.9	Very low	32.6	Very low	141 Å²	141	121.9 Å²	121.9	66%	0.659	62%	0.621	S	S	*	*			trans	61.1	145.3	150.6	-81.4	167.7	11.8	0	0	120.5
549	Q	34.3	Very low	32.5	Very low	137 Å²	137	121.8 Å²	121.8	64%	0.64	62%	0.62	S	S	*	*			cis	-159.8	168.8	-17.3	-138.5	168.1	-9.4	0	0	111.1
550	Q	32.7	Very low	32.2	Very low	126 Å²	126	122.4 Å²	122.4	59%	0.589	62%	0.619	S	S	*	*			trans	15.8	139.6	142.7	-81.2	165.6	-31.6	0	0	120
551	Q	41.2	Very low	32.2	Very low	152 Å²	152	124.8 Å²	124.8	71%	0.71	63%	0.625	S	S	*	*			cis	-140.7	144.4	25.2	-99.1	132	51.9	0	0	110
552	Q	31.9	Very low	31.9	Very low	127 Å²	127	124.4 Å²	124.4	59%	0.593	62%	0.622	S	S	*	*				46.4	116.1	84.7	-55.1	176.3	-14.2	0	0	111.8
553	S	29.8	Very low	31.8	Very low	103 Å²	103	127.6 Å²	127.6	72%	0.72	64%	0.643	S	S	*	*				161.7	160.4	75.4	44.8	0	0	0	0	108.3
554	Q	35.1	Very low	31.8	Very low	138 Å²	138	128.2 Å²	128.2	65%	0.645	65%	0.65	S	S	*	*			cis	-157.3	137.2	-2	-121.1	154.6	37.5	0	0	111.4
555	S	32.8	Very low	31.8	Very low	87 Å²	87	130.8 Å²	130.8	61%	0.608	66%	0.659	S	S	*	*			trans	-62.8	132	152.5	-49.4	0	0	0	0	110.5
556	R	26	Very low	31.5	Very low	186 Å²	186	135 Å²	135	70%	0.702	68%	0.679	S	S	*	*			trans	-179.4	128.9	157.8	-102	-178.2	-72.6	-153.5	10.8	105.1
557	R	32.4	Very low	31.2	Very low	238 Å²	238	137.7 Å²	137.7	90%	0.898	69%	0.69	S	S	*	*			cis	-136.1	140.2	38.2	-56.1	176.1	-159.4	-155.2	2.9	107
558	I	29.8	Very low	31.4	Very low	132 Å²	132	137 Å²	137	68%	0.677	69%	0.687	S	S	*	*			cis	56.2	116	21.1	-51.9	-177.5	0	0	0	114.1
559	N	25.6	Very low	31.1	Very low	140 Å²	140	133.2 Å²	133.2	75%	0.749	67%	0.672	S	S	*	*			trans	86.7	145.6	173.9	-61.5	-16.5	0	0	0	118
560	N	28	Very low	30.9	Very low	138 Å²	138	132.7 Å²	132.7	74%	0.738	68%	0.678	S	S	*	*			trans	83.3	123.1	163.6	-62.8	8.1	0	0	0	118.3
561	D	30.4	Very low	30.7	Very low	134 Å²	134	132.5 Å²	132.5	72%	0.717	69%	0.69	S	S	*	*			trans	78.3	106.1	154	-48.7	-27.8	0	0	0	115.5
562	S	27.2	Very low	30.1	Very low	93 Å²	93	134.7 Å²	134.7	65%	0.65	70%	0.697	S	S	*	*			cis	65.3	132	27.2	115.9	0	0	0	0	112.7
563	L	30.9	Very low	30	Very low	150 Å²	150	133.2 Å²	133.2	79%	0.785	71%	0.706	S	S	*	*			trans	65.9	132.1	-160	-78.1	69.9	0	0	0	112.2
564	I	30.7	Very low	30.1	Very low	146 Å²	146	136 Å²	136	75%	0.749	71%	0.71	S	S	*	*			cis	-131.9	120.9	-4.4	-47	178.1	0	0	0	104.3
565	Q	30.2	Very low	30	Very low	148 Å²	148	136 Å²	136	69%	0.692	71%	0.71	S	S	*	*				47.9	137.4	89.6	-117.9	85.4	0.9	0	0	113.9
566	N	28.8	Very low	30.1	Very low	126 Å²	126	138.9 Å²	138.9	67%	0.674	71%	0.713	S	S	*	*			trans	62.4	142.6	146	-71.8	35.7	0	0	0	119.7
567	D	31.6	Very low	30.4	Very low	131 Å²	131	136.6 Å²	136.6	70%	0.701	72%	0.715	S	S	*	*			cis	-141.1	152	2.7	-96.1	-41.8	0	0	0	112.8
568	L	34.4	Very low	30.7	Very low	103 Å²	103	130.7 Å²	130.7	54%	0.539	71%	0.71	S	S	.	*	S	Bend	trans	-90.5	136.1	154.2	-179.8	70.5	0	0	0	107.2
569	D	28.5	Very low	30.9	Very low	63 Å²	63	132 Å²	132	34%	0.337	72%	0.718	S	S	.	*	S	Bend	trans	76.1	130.2	-175.8	-51.3	-27.7	0	0	0	116.4	K163	K163-D569 IonicContact NZ-OD2 3.73Å; K163-D569 PolarHBondContact NZ-OD2 3.1Å
570	T	31.2	Very low	31.7	Very low	125 Å²	125	133.4 Å²	133.4	77%	0.767	73%	0.725	S	S	*	*			trans	83.2	103.5	154.8	-40.6	0	0	0	0	121.6
571	C	28.1	Very low	32.2	Very low	123 Å²	123	132 Å²	132	83%	0.831	72%	0.723	S	S	*	*				175.9	80.8	129.4	-98.4	0	0	0	0	109.9
572	K	27.8	Very low	33.1	Very low	197 Å²	197	131.3 Å²	131.3	86%	0.857	73%	0.726	S	S	*	*				39.5	101.2	94.7	-89.9	-174.6	175.6	177	0	115.1
573	A	31.6	Very low	34.1	Very low	96 Å²	96	132.5 Å²	132.5	79%	0.793	73%	0.732	S	S	*	*			trans	41.6	127.3	146.3	0	0	0	0	0	120.7
574	M	31	Very low	34.3	Very low	163 Å²	163	130.1 Å²	130.1	80%	0.803	73%	0.725	S	S	*	*			trans	-166.8	127.1	130.2	-102.3	-169.6	164.8	0	0	110.9
575	H	33.9	Very low	34.5	Very low	137 Å²	137	129.1 Å²	129.1	63%	0.634	73%	0.728	S	S	*	*			trans	35.9	147.8	148.3	-46.6	-59.1	0	0	0	121.7
576	H	33.5	Very low	34.8	Very low	147 Å²	147	130.4 Å²	130.4	68%	0.681	73%	0.734	S	S	*	*			cis	-167.7	164.4	-16.4	-107.1	-50	0	0	0	107.2
577	N	33.7	Very low	35	Very low	138 Å²	138	132.7 Å²	132.7	74%	0.738	74%	0.741	S	S	*	*			trans	29.6	129.6	154.3	-59.2	-7.6	0	0	0	119
578	S	37.8	Very low	35	Very low	115 Å²	115	134.4 Å²	134.4	80%	0.804	75%	0.745	S	S	*	*				-162.4	153.6	67.5	-66.9	0	0	0	0	115
579	N	34.5	Very low	34.8	Very low	159 Å²	159	138.4 Å²	138.4	85%	0.85	76%	0.761	S	S	*	*			trans	-45.9	138.5	178.1	-53	-51.8	0	0	0	115.8
580	L	41.7	Very low	34.9	Very low	170 Å²	170	144.2 Å²	144.2	89%	0.89	79%	0.786	S	S	*	*			trans	-151.1	153	140.7	-95.6	133.5	0	0	0	108.8
581	P	37.7	Very low	35	Very low	107 Å²	107	146.8 Å²	146.8	70%	0.695	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-87.5	162.1	-161.7	34.9	-35.9	0	0	0	114.3
582	P	50.8	Low	35.3	Very low	121 Å²	121	150 Å²	150	79%	0.786	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-67.5	146.1	174.5	29	-35.5	0	0	0	112.3
583	P	47	Very low	35.4	Very low	117 Å²	117	152.5 Å²	152.5	76%	0.76	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-71.1	155.2	177.9	29.9	-35.3	0	0	0	112.6
584	P	36.6	Very low	35.4	Very low	100 Å²	100	156.8 Å²	156.8	65%	0.649	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-74.3	156.1	-174.6	31	-36.6	0	0	0	113.4	Q586	P584-Q586 PolarHBondContact O-N 3.46Å
585	P	34.6	Very low	35.4	Very low	125 Å²	125	161.3 Å²	161.3	81%	0.812	81%	0.807	S	S	*	*			trans	-72.4	96.3	179.6	30.1	-35	0	0	0	111.6	Q587	P585-Q587 PolarHBondContact O-N 3.41Å; P585-Q587 VanDerWaalsContact O-N 3.14Å
586	Q	36.1	Very low	35.1	Very low	175 Å²	175	157.7 Å²	157.7	82%	0.818	81%	0.808	S	S	*	*			trans	-71.2	106.1	176	-73.7	-172.7	-19.9	0	0	111.7	P584 Q588	P584-Q586 PolarHBondContact O-N 3.46Å; Q586-Q588 PolarHBondContact O-N 2.96Å
587	Q	32.9	Very low	35.2	Very low	174 Å²	174	159.9 Å²	159.9	81%	0.813	82%	0.815	S	S	*	*			trans	-72.9	103.4	168.2	-65.5	178.8	-8.8	0	0	110.2	P585	P585-Q587 PolarHBondContact O-N 3.41Å; P585-Q587 VanDerWaalsContact O-N 3.14Å
588	Q	32.4	Very low	35.4	Very low	167 Å²	167	161.4 Å²	161.4	78%	0.78	82%	0.818	S	S	*	*			trans	-143.1	103.1	166.6	-107.6	169.6	25.6	0	0	113.6	Q586 Q590	Q586-Q588 PolarHBondContact O-N 2.96Å; Q588-Q590 PolarHBondContact O-N 3.29Å
589	Q	30.3	Very low	35.7	Very low	187 Å²	187	162.2 Å²	162.2	87%	0.874	81%	0.813	S	S	*	*			trans	45.8	66.7	146	-55.4	-172.6	13	0	0	118.7	H591	Q589-H591 PolarHBondContact O-N 2.99Å
590	Q	30.8	Very low	36.2	Very low	186 Å²	186	160 Å²	160	87%	0.869	80%	0.801	S	S	*	*			trans	-86.9	92	145.3	-70.9	-163	18.4	0	0	110.1	Q588	Q588-Q590 PolarHBondContact O-N 3.29Å
591	H	32.5	Very low	36.5	Very low	179 Å²	179	159.6 Å²	159.6	83%	0.829	80%	0.795	S	S	*	*			trans	-119.2	144.1	156.3	-90.2	30.8	0	0	0	108.3	Q589	Q589-H591 PolarHBondContact O-N 2.99Å
592	Q	33.7	Very low	36.9	Very low	190 Å²	190	161 Å²	161	89%	0.888	79%	0.794	S	S	*	*	S	Bend	trans	65.6	73.7	-171.5	-46.5	179.7	25.6	0	0	116
593	R	29.9	Very low	36.9	Very low	249 Å²	249	160.5 Å²	160.5	94%	0.94	78%	0.783	S	S	*	*			trans	-168.2	45.8	137	-110.7	-167.5	-55.6	173.7	7.1	116.1
594	Q	31.9	Very low	37.4	Very low	187 Å²	187	156.7 Å²	156.7	87%	0.874	77%	0.766	S	S	*	*			trans	-120.2	111.1	161	-65.8	-171.7	8.9	0	0	109.5
595	R	30.4	Very low	38.5	Very low	257 Å²	257	157.1 Å²	157.1	97%	0.97	76%	0.763	S	S	*	*			trans	-144.2	94.3	167.5	-80.8	-160.4	-63.1	-141.3	-3.8	107.7
596	G	28.6	Very low	40	Very low	62 Å²	62	157.3 Å²	157.3	64%	0.639	76%	0.756	S	S	*	*			trans	166.6	147.3	-177.1	0	0	0	0	0	108.7
597	F	36.1	Very low	41.4	Very low	192 Å²	192	151.7 Å²	151.7	84%	0.842	74%	0.736	S	S	*	*			trans	66.4	64.2	-173.5	-61.6	-81.2	0	0	0	116.2
598	E	36.9	Very low	43.4	Very low	170 Å²	170	148.1 Å²	148.1	79%	0.794	73%	0.726	S	S	*	*			trans	-126.5	-9.6	157	-70.5	-175.1	125.2	0	0	113.3
599	D	44.7	Very low	45.4	Very low	133 Å²	133	142.6 Å²	142.6	71%	0.711	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-30	-172.6	-76.2	-56.3	0	0	0	114.3
600	D	45.7	Very low	47.8	Very low	112 Å²	112	142 Å²	142	60%	0.599	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-29.6	-173.9	-67.9	-57.4	0	0	0	113.4	I603	D600-I603 WeakPolarHBondContact O-CB 3.39Å; D600-I603 PolarHBondContact O-N 3.35Å
601	Q	47.2	Very low	50	Low	161 Å²	161	139 Å²	139	75%	0.752	69%	0.686	S	S	*	*	H	α-helix	trans	-73.5	-36.6	-172.9	-158.8	149	2.6	0	0	112.2	I603 G604 D605	Q601-I603 PolarHBondContact O-N 2.94Å; Q601-G604 PolarHBondContact O-N 3.36Å; Q601-G604 VanDerWaalsContact O-N 3.12Å; Q601-D605 PolarHBondContact O-N 3.47Å
602	M	45.1	Very low	52.4	Low	136 Å²	136	133 Å²	133	67%	0.67	66%	0.664	S	S	*	*	H	α-helix	trans	-67.5	-15.9	173.1	-75.5	-158.3	-70.8	0	0	114.1	L606	M602-L606 VanDerWaalsContact O-CB 3.32Å; M602-L606 WeakPolarHBondContact O-CB 3.5Å; M602-L606 PolarHBondContact O-N 3.43Å
603	I	52.6	Low	54.6	Low	111 Å²	111	126.4 Å²	126.4	57%	0.569	64%	0.642	S	S	*	*	H	α-helix	trans	-74.3	-35.7	172.9	-60.1	175.7	0	0	0	110.2	D600 Q601 S607	D600-I603 WeakPolarHBondContact O-CB 3.39Å; D600-I603 PolarHBondContact O-N 3.35Å; Q601-I603 PolarHBondContact O-N 2.94Å; I603-S607 WeakPolarHBondContact O-CB 3.48Å; I603-S607 PolarHBondContact O-N 3.32Å; I603-S607 VanDerWaalsContact O-N 3.1Å
604	G	55.7	Low	57.1	Low	38 Å²	38	116.9 Å²	116.9	39%	0.392	62%	0.616	S	S	.	*	H	α-helix	trans	-61	-55.1	172.3	0	0	0	0	0	111.9	Q601 L606 S607 V608	Q601-G604 PolarHBondContact O-N 3.36Å; Q601-G604 VanDerWaalsContact O-N 3.12Å; G604-L606 VanDerWaalsContact C-N 3.33Å; G604-L606 PolarHBondContact O-N 3.44Å; G604-S607 WeakPolarHBondContact O-CA 3.48Å; G604-S607 WeakPolarHBondContact O-CB 3.48Å; G604-S607 PolarHBondContact O-N 2.99Å; G604-V608 PolarHBondContact O-N 2.87Å
605	D	60.4	Low	59.6	Low	109 Å²	109	110.9 Å²	110.9	58%	0.583	60%	0.599	S	S	*	*	H	α-helix	trans	-61.3	-39.5	-178.2	-67.1	-27.6	0	0	0	112.6	Q601 S607 V608 A609	Q601-D605 PolarHBondContact O-N 3.47Å; D605-S607 VanDerWaalsContact C-N 3.32Å; D605-S607 PolarHBondContact O-N 2.87Å; D605-V608 PolarHBondContact O-N 3.14Å; D605-A609 WeakPolarHBondContact O-CB 3.2Å; D605-A609 PolarHBondContact O-N 3.3Å
606	L	65.4	Low	62.2	Low	129 Å²	129	104.9 Å²	104.9	68%	0.675	58%	0.583	S	S	*	*	H	α-helix	trans	-67.7	-32.7	176.3	-172.9	60.5	0	0	0	112.2	M602 G604 Y610	M602-L606 VanDerWaalsContact O-CB 3.32Å; M602-L606 WeakPolarHBondContact O-CB 3.5Å; M602-L606 PolarHBondContact O-N 3.43Å; G604-L606 VanDerWaalsContact C-N 3.33Å; G604-L606 PolarHBondContact O-N 3.44Å; L606-Y610 WeakPolarHBondContact O-CB 3.25Å; L606-Y610 PolarHBondContact O-N 3.27Å
607	S	67.3	Low	64.8	Low	56 Å²	56	104.6 Å²	104.6	39%	0.392	58%	0.575	S	S	.	*	H	α-helix	trans	-66.9	-45	172.4	-174.8	0	0	0	0	111.6	I603 G604 D605 Y610 H611	I603-S607 WeakPolarHBondContact O-CB 3.48Å; I603-S607 PolarHBondContact O-N 3.32Å; I603-S607 VanDerWaalsContact O-N 3.1Å; G604-S607 WeakPolarHBondContact O-CA 3.48Å; G604-S607 WeakPolarHBondContact O-CB 3.48Å; G604-S607 PolarHBondContact O-N 2.99Å; D605-S607 VanDerWaalsContact C-N 3.32Å; D605-S607 PolarHBondContact O-N 2.87Å; S607-Y610 PolarHBondContact O-N 3.4Å; S607-H611 PolarHBondContact O-N 3.26Å; S607-H611 PolarHBondContact O-ND1 2.97Å; S607-H611 PolarHBondContact OG-CE1 3.43Å; S607-H611 PolarHBondContact OG-ND1 3.19Å
608	V	73.1	Confident	67.1	Low	99 Å²	99	98.2 Å²	98.2	60%	0.6	56%	0.558	S	S	*	*	H	α-helix	trans	-65.2	-41.2	177.8	175.5	0	0	0	0	111.1	G604 D605 Y610 H611 S612	G604-V608 PolarHBondContact O-N 2.87Å; D605-V608 PolarHBondContact O-N 3.14Å; V608-Y610 VanDerWaalsContact C-N 3.33Å; V608-Y610 PolarHBondContact O-N 3.23Å; V608-H611 PolarHBondContact O-N 3.34Å; V608-S612 WeakPolarHBondContact O-CB 3.47Å; V608-S612 PolarHBondContact O-N 3.29Å; V608-S612 PolarHBondContact O-OG 2.78Å
609	A	74.5	Confident	69.3	Low	52 Å²	52	93 Å²	93	43%	0.43	54%	0.544	S	S	.	.	H	α-helix	trans	-61.4	-38.7	173	0	0	0	0	0	112.5	D605 S612 A613	D605-A609 WeakPolarHBondContact O-CB 3.2Å; D605-A609 PolarHBondContact O-N 3.3Å; A609-S612 WeakPolarHBondContact CA-OG 3.31Å; A609-S612 PolarHBondContact O-OG 3.18Å; A609-A613 VanDerWaalsContact O-CB 3.24Å; A609-A613 WeakPolarHBondContact O-CB 3.49Å; A609-A613 PolarHBondContact O-N 3.18Å; A609-A613 VanDerWaalsContact O-N 3.09Å
610	Y	80.6	Confident	71.1	Confident	173 Å²	173	88.9 Å²	88.9	68%	0.678	53%	0.529	S	S	*	.	H	α-helix	trans	-70.9	-44.4	177.5	-168.6	-96.4	0	0	0	112.6	L606 S607 V608 A613 A614	L606-Y610 WeakPolarHBondContact O-CB 3.25Å; L606-Y610 PolarHBondContact O-N 3.27Å; S607-Y610 PolarHBondContact O-N 3.4Å; V608-Y610 VanDerWaalsContact C-N 3.33Å; V608-Y610 PolarHBondContact O-N 3.23Å; Y610-A613 PolarHBondContact O-N 3.06Å; Y610-A614 WeakPolarHBondContact O-CB 3.48Å; Y610-A614 PolarHBondContact O-N 2.85Å
611	H	78.6	Confident	72.8	Confident	123 Å²	123	88.1 Å²	88.1	57%	0.569	53%	0.527	S	S	*	.	H	α-helix	trans	-66.9	-41.2	178.8	-74.8	90.5	0	0	0	112.4	S607 V608 A614 A615	S607-H611 PolarHBondContact O-N 3.26Å; S607-H611 PolarHBondContact O-ND1 2.97Å; S607-H611 PolarHBondContact OG-CE1 3.43Å; S607-H611 PolarHBondContact OG-ND1 3.19Å; V608-H611 PolarHBondContact O-N 3.34Å; H611-A614 PolarHBondContact O-N 2.86Å; H611-A615 WeakPolarHBondContact O-CB 3.45Å; H611-A615 PolarHBondContact O-N 3.04Å
612	S	81.4	Confident	74.6	Confident	55 Å²	55	85.3 Å²	85.3	39%	0.385	52%	0.521	S	S	.	.	H	α-helix	trans	-65.6	-40.2	174.7	54.7	0	0	0	0	112.3	V608 A609 A615 M616	V608-S612 WeakPolarHBondContact O-CB 3.47Å; V608-S612 PolarHBondContact O-N 3.29Å; V608-S612 PolarHBondContact O-OG 2.78Å; A609-S612 WeakPolarHBondContact CA-OG 3.31Å; A609-S612 PolarHBondContact O-OG 3.18Å; S612-A615 PolarHBondContact O-N 3.39Å; S612-M616 WeakPolarHBondContact O-CE 3.31Å; S612-M616 WeakPolarHBondContact O-CG 3.39Å; S612-M616 PolarHBondContact O-N 2.95Å
613	A	80.2	Confident	76.4	Confident	51 Å²	51	81.5 Å²	81.5	42%	0.421	51%	0.511	S	S	.	.	H	α-helix	trans	-63	-41.1	172.4	0	0	0	0	0	112.7	A609 Y610 M616 A617	A609-A613 VanDerWaalsContact O-CB 3.24Å; A609-A613 WeakPolarHBondContact O-CB 3.49Å; A609-A613 PolarHBondContact O-N 3.18Å; A609-A613 VanDerWaalsContact O-N 3.09Å; Y610-A613 PolarHBondContact O-N 3.06Å; A613-M616 PolarHBondContact O-N 2.94Å; A613-A617 WeakPolarHBondContact O-CB 3.39Å; A613-A617 PolarHBondContact O-N 3.15Å
614	A	82.9	Confident	77.5	Confident	48 Å²	48	82.8 Å²	82.8	40%	0.397	52%	0.515	S	S	.	.	H	α-helix	trans	-65.4	-41.9	175.8	0	0	0	0	0	112.1	Y610 H611 A617 A618	Y610-A614 WeakPolarHBondContact O-CB 3.48Å; Y610-A614 PolarHBondContact O-N 2.85Å; H611-A614 PolarHBondContact O-N 2.86Å; A614-A617 PolarHBondContact O-N 3.06Å; A614-A618 WeakPolarHBondContact O-CB 3.41Å; A614-A618 PolarHBondContact O-N 2.98Å
615	A	83.7	Confident	78.4	Confident	62 Å²	62	83.7 Å²	83.7	51%	0.512	52%	0.519	S	S	.	.	H	α-helix	trans	-63.4	-42.5	175.5	0	0	0	0	0	112.1	H611 S612 A618 A619	H611-A615 WeakPolarHBondContact O-CB 3.45Å; H611-A615 PolarHBondContact O-N 3.04Å; S612-A615 PolarHBondContact O-N 3.39Å; A615-A618 PolarHBondContact O-N 3.06Å; A615-A619 WeakPolarHBondContact O-CB 3.37Å; A615-A619 PolarHBondContact O-N 3.05Å
616	M	85.3	Confident	79.3	Confident	130 Å²	130	80.9 Å²	80.9	64%	0.64	51%	0.51	S	S	*	.	H	α-helix	trans	-64.2	-39.7	174.2	-74.2	-173.3	-74.5	0	0	112.4	S612 A613 A619 A620	S612-M616 WeakPolarHBondContact O-CE 3.31Å; S612-M616 WeakPolarHBondContact O-CG 3.39Å; S612-M616 PolarHBondContact O-N 2.95Å; A613-M616 PolarHBondContact O-N 2.94Å; M616-A619 PolarHBondContact O-N 3.34Å; M616-A620 WeakPolarHBondContact O-CB 3.31Å; M616-A620 PolarHBondContact O-N 3.48Å
617	A	83.9	Confident	79.9	Confident	57 Å²	57	79 Å²	79	47%	0.471	50%	0.504	S	S	.	.	H	α-helix	trans	-64.9	-43	175.1	0	0	0	0	0	112.2	A613 A614 A620 V621	A613-A617 WeakPolarHBondContact O-CB 3.39Å; A613-A617 PolarHBondContact O-N 3.15Å; A614-A617 PolarHBondContact O-N 3.06Å; A617-A620 PolarHBondContact O-N 2.66Å; A617-V621 WeakPolarHBondContact O-CG2 3.25Å; A617-V621 PolarHBondContact O-N 3.2Å
618	A	84	Confident	80.1	Confident	57 Å²	57	78.3 Å²	78.3	47%	0.471	50%	0.502	S	S	.	.	H	α-helix	trans	-62.6	-45.2	175.2	0	0	0	0	0	111.8	A614 A615 A620 V621 V622	A614-A618 WeakPolarHBondContact O-CB 3.41Å; A614-A618 PolarHBondContact O-N 2.98Å; A615-A618 PolarHBondContact O-N 3.06Å; A618-A620 VanDerWaalsContact C-N 3.32Å; A618-A620 PolarHBondContact O-N 2.97Å; A618-V621 PolarHBondContact O-N 2.89Å; A618-V622 WeakPolarHBondContact O-CG2 3.4Å; A618-V622 PolarHBondContact O-N 3.48Å
619	A	82.9	Confident	80.1	Confident	60 Å²	60	76.7 Å²	76.7	50%	0.496	50%	0.495	S	S	.	.	H	α-helix	trans	-60.9	-39.4	175.8	0	0	0	0	0	112.4	A615 M616 V622 A623	A615-A619 WeakPolarHBondContact O-CB 3.37Å; A615-A619 PolarHBondContact O-N 3.05Å; M616-A619 PolarHBondContact O-N 3.34Å; A619-V622 PolarHBondContact O-N 3.49Å; A619-A623 WeakPolarHBondContact O-CB 3.42Å; A619-A623 PolarHBondContact O-N 3.1Å
620	A	82.5	Confident	79.8	Confident	48 Å²	48	77.7 Å²	77.7	40%	0.397	50%	0.496	S	S	.	.	H	α-helix	trans	-64.8	-39.7	175.4	0	0	0	0	0	112.5	M616 A617 A618 A623 Q624	M616-A620 WeakPolarHBondContact O-CB 3.31Å; M616-A620 PolarHBondContact O-N 3.48Å; A617-A620 PolarHBondContact O-N 2.66Å; A618-A620 VanDerWaalsContact C-N 3.32Å; A618-A620 PolarHBondContact O-N 2.97Å; A620-A623 PolarHBondContact O-N 3.18Å; A620-Q624 WeakPolarHBondContact O-CB 3.45Å; A620-Q624 VanDerWaalsContact O-CG 3.31Å; A620-Q624 WeakPolarHBondContact O-CG 3.49Å; A620-Q624 PolarHBondContact O-N 3.3Å
621	V	82.5	Confident	79	Confident	95 Å²	95	73.6 Å²	73.6	58%	0.576	49%	0.485	S	S	*	.	H	α-helix	trans	-66.7	-41.8	175.1	172.3	0	0	0	0	111.4	A617 A618 Q624 A625	A617-V621 WeakPolarHBondContact O-CG2 3.25Å; A617-V621 PolarHBondContact O-N 3.2Å; A618-V621 PolarHBondContact O-N 2.89Å; V621-Q624 PolarHBondContact O-N 3.43Å; V621-A625 WeakPolarHBondContact O-CB 3.07Å; V621-A625 PolarHBondContact O-N 3.06Å
622	V	84.7	Confident	78.2	Confident	103 Å²	103	71 Å²	71	62%	0.624	48%	0.478	S	S	*	.	H	α-helix	trans	-63.7	-41.4	175.2	172.8	0	0	0	0	111.3	A618 A619 A625 A626	A618-V622 WeakPolarHBondContact O-CG2 3.4Å; A618-V622 PolarHBondContact O-N 3.48Å; A619-V622 PolarHBondContact O-N 3.49Å; V622-A625 PolarHBondContact O-N 3.34Å; V622-A626 WeakPolarHBondContact O-CB 3.44Å; V622-A626 PolarHBondContact O-N 2.91Å
623	A	82	Confident	77.3	Confident	55 Å²	55	72.1 Å²	72.1	46%	0.455	48%	0.482	S	S	.	.	H	α-helix	trans	-63.5	-42.3	174.9	0	0	0	0	0	112.3	A619 A620 A626 V627	A619-A623 WeakPolarHBondContact O-CB 3.42Å; A619-A623 PolarHBondContact O-N 3.1Å; A620-A623 PolarHBondContact O-N 3.18Å; A623-A626 PolarHBondContact O-N 3.39Å; A623-V627 WeakPolarHBondContact O-CG2 3.24Å; A623-V627 PolarHBondContact O-N 3.31Å
624	Q	75.4	Confident	76.1	Confident	139 Å²	139	73.6 Å²	73.6	65%	0.65	48%	0.483	S	S	*	.	H	α-helix	trans	-64.3	-38.8	174.5	-73.8	174.9	9.5	0	0	112.1	A620 V621 A628	A620-Q624 WeakPolarHBondContact O-CB 3.45Å; A620-Q624 VanDerWaalsContact O-CG 3.31Å; A620-Q624 WeakPolarHBondContact O-CG 3.49Å; A620-Q624 PolarHBondContact O-N 3.3Å; V621-Q624 PolarHBondContact O-N 3.43Å; Q624-A628 VanDerWaalsContact O-CB 3.22Å; Q624-A628 WeakPolarHBondContact O-CB 3.42Å; Q624-A628 PolarHBondContact O-N 3.49Å
625	A	76.1	Confident	74.9	Confident	57 Å²	57	76.6 Å²	76.6	47%	0.471	49%	0.489	S	S	.	.	H	α-helix	trans	-64.9	-40.8	174.9	0	0	0	0	0	112.3	V621 V622 A628 S629	V621-A625 WeakPolarHBondContact O-CB 3.07Å; V621-A625 PolarHBondContact O-N 3.06Å; V622-A625 PolarHBondContact O-N 3.34Å; A625-A628 PolarHBondContact O-N 2.98Å; A625-S629 PolarHBondContact O-N 2.88Å; A625-S629 PolarHBondContact O-OG 3.44Å
626	A	78.1	Confident	73.5	Confident	49 Å²	49	79.5 Å²	79.5	41%	0.405	49%	0.492	S	S	.	.	H	α-helix	trans	-66.6	-41.7	176.4	0	0	0	0	0	112.7	V622 A623 A628 S629 V630	V622-A626 WeakPolarHBondContact O-CB 3.44Å; V622-A626 PolarHBondContact O-N 2.91Å; A623-A626 PolarHBondContact O-N 3.39Å; A626-A628 VanDerWaalsContact C-N 3.31Å; A626-S629 PolarHBondContact O-N 3.4Å; A626-S629 PolarHBondContact O-OG 2.91Å; A626-V630 WeakPolarHBondContact O-CG2 3.47Å; A626-V630 PolarHBondContact O-N 3.22Å; A626-V630 VanDerWaalsContact O-N 3.1Å
627	V	77.5	Confident	72	Confident	90 Å²	90	77.9 Å²	77.9	55%	0.545	49%	0.485	S	S	.	.	H	α-helix	trans	-65.2	-38.4	172.3	173.6	0	0	0	0	110.7	A623 S629 N631	A623-V627 WeakPolarHBondContact O-CG2 3.24Å; A623-V627 PolarHBondContact O-N 3.31Å; V627-S629 PolarHBondContact O-N 3.33Å; V627-N631 WeakPolarHBondContact O-CB 3.36Å; V627-N631 PolarHBondContact O-N 3.42Å
628	A	72	Confident	70.4	Confident	41 Å²	41	81.9 Å²	81.9	34%	0.339	49%	0.494	S	S	.	.	H	α-helix	trans	-65.9	-34	178	0	0	0	0	0	113.2	Q624 A625 A626 V632 R878	Q624-A628 VanDerWaalsContact O-CB 3.22Å; Q624-A628 WeakPolarHBondContact O-CB 3.42Å; Q624-A628 PolarHBondContact O-N 3.49Å; A625-A628 PolarHBondContact O-N 2.98Å; A626-A628 VanDerWaalsContact C-N 3.31Å; A628-V632 WeakPolarHBondContact O-CG2 3.39Å; A628-V632 PolarHBondContact O-N 2.96Å; A628-R878 PolarHBondContact O-NH1 2.78Å; A628-R878 PolarHBondContact O-NH2 2.93Å
629	S	73.9	Confident	69	Low	65 Å²	65	85.3 Å²	85.3	46%	0.455	50%	0.5	S	S	.	.	H	α-helix	trans	-77.9	-41.5	177.4	61.9	0	0	0	0	112.9	A625 A626 V627 N631 V632 T633	A625-S629 PolarHBondContact O-N 2.88Å; A625-S629 PolarHBondContact O-OG 3.44Å; A626-S629 PolarHBondContact O-N 3.4Å; A626-S629 PolarHBondContact O-OG 2.91Å; V627-S629 PolarHBondContact O-N 3.33Å; S629-N631 VanDerWaalsContact C-N 3.25Å; S629-N631 PolarHBondContact O-N 2.86Å; S629-V632 WeakPolarHBondContact O-CA 3.24Å; S629-V632 WeakPolarHBondContact O-CB 3.36Å; S629-V632 PolarHBondContact O-N 3.46Å; S629-T633 PolarHBondContact O-N 2.94Å; S629-T633 VanDerWaalsContact O-N 3.08Å
630	V	67.9	Low	67.4	Low	74 Å²	74	89.1 Å²	89.1	45%	0.448	51%	0.508	S	S	.	.	H	α-helix	trans	-59.2	-39.1	171.9	172.6	0	0	0	0	111	A626 V632 T633 N634	A626-V630 WeakPolarHBondContact O-CG2 3.47Å; A626-V630 PolarHBondContact O-N 3.22Å; A626-V630 VanDerWaalsContact O-N 3.1Å; V630-V632 PolarHBondContact O-N 2.91Å; V630-T633 WeakPolarHBondContact CA-OG1 3.17Å; V630-T633 PolarHBondContact O-N 3.35Å; V630-T633 PolarHBondContact O-OG1 3.06Å; V630-N634 PolarHBondContact O-N 3.36Å; V630-N634 VanDerWaalsContact O-N 3.1Å
631	N	64	Low	65.9	Low	87 Å²	87	93.7 Å²	93.7	47%	0.465	52%	0.521	S	S	.	.	H	α-helix	trans	-75	-3.8	173.2	-73.4	0.2	0	0	0	113.9	V627 S629 R878	V627-N631 WeakPolarHBondContact O-CB 3.36Å; V627-N631 PolarHBondContact O-N 3.42Å; S629-N631 VanDerWaalsContact C-N 3.25Å; S629-N631 PolarHBondContact O-N 2.86Å; N631-R878 PolarHBondContact O-NH2 3.36Å
632	V	60.9	Low	64.3	Low	68 Å²	68	96.6 Å²	96.6	41%	0.412	53%	0.528	S	S	.	.	H	α-helix	trans	-85.9	-50.6	164	173.7	0	0	0	0	108.7	A628 S629 V630 N634 H635 Q636 R878	A628-V632 WeakPolarHBondContact O-CG2 3.39Å; A628-V632 PolarHBondContact O-N 2.96Å; S629-V632 WeakPolarHBondContact O-CA 3.24Å; S629-V632 WeakPolarHBondContact O-CB 3.36Å; S629-V632 PolarHBondContact O-N 3.46Å; V630-V632 PolarHBondContact O-N 2.91Å; V632-N634 VanDerWaalsContact C-N 3.31Å; V632-N634 PolarHBondContact O-N 2.83Å; V632-H635 PolarHBondContact O-N 3.11Å; V632-H635 VanDerWaalsContact O-N 3.16Å; V632-Q636 WeakPolarHBondContact O-CB 3.22Å; V632-Q636 PolarHBondContact O-N 2.9Å; V632-R878 VanDerWaalsContact N-NH2 3.16Å
633	T	62.8	Low	62.5	Low	78 Å²	78	98.2 Å²	98.2	48%	0.479	53%	0.533	S	S	.	.	H	α-helix	trans	-59.3	-40.5	-176.2	47.8	0	0	0	0	112.5	S629 V630 Q636 L637	S629-T633 PolarHBondContact O-N 2.94Å; S629-T633 VanDerWaalsContact O-N 3.08Å; V630-T633 WeakPolarHBondContact CA-OG1 3.17Å; V630-T633 PolarHBondContact O-N 3.35Å; V630-T633 PolarHBondContact O-OG1 3.06Å; T633-Q636 PolarHBondContact O-N 3.37Å; T633-L637 WeakPolarHBondContact O-CG 3.19Å; T633-L637 PolarHBondContact O-N 3.22Å; T633-L637 VanDerWaalsContact O-N 3.1Å
634	N	56.2	Low	60.9	Low	83 Å²	83	101.6 Å²	101.6	44%	0.444	54%	0.539	S	S	.	.	H	α-helix	trans	-65.2	-44.1	177.1	-67.4	0.8	0	0	0	112	V630 V632 Q636 L637 E638	V630-N634 PolarHBondContact O-N 3.36Å; V630-N634 VanDerWaalsContact O-N 3.1Å; V632-N634 VanDerWaalsContact C-N 3.31Å; V632-N634 PolarHBondContact O-N 2.83Å; N634-Q636 VanDerWaalsContact C-N 3.27Å; N634-Q636 PolarHBondContact O-N 2.98Å; N634-L637 PolarHBondContact O-N 3.46Å; N634-E638 PolarHBondContact O-N 3.05Å; N634-E638 VanDerWaalsContact O-N 3.16Å
635	H	56.5	Low	59.3	Low	111 Å²	111	105.3 Å²	105.3	51%	0.514	55%	0.547	S	S	.	.	H	α-helix	trans	-70.4	-25.4	-179.4	-139.3	-44.6	0	0	0	112.6	V632 H639	V632-H635 PolarHBondContact O-N 3.11Å; V632-H635 VanDerWaalsContact O-N 3.16Å; H635-H639 AromaticContact CE1-NE2 3.99Å; H635-H639 AromaticContact ND1-CD2 3.84Å; H635-H639 AromaticContact ND1-NE2 3.87Å; H635-H639 PolarHBondContact O-CD2 2.75Å
636	Q	54.1	Low	57.8	Low	123 Å²	123	110.8 Å²	110.8	58%	0.575	56%	0.563	S	S	*	*	H	α-helix	trans	-73.1	-35.7	172.4	-160.8	74.2	22.1	0	0	111.8	V632 T633 N634	V632-Q636 WeakPolarHBondContact O-CB 3.22Å; V632-Q636 PolarHBondContact O-N 2.9Å; T633-Q636 PolarHBondContact O-N 3.37Å; N634-Q636 VanDerWaalsContact C-N 3.27Å; N634-Q636 PolarHBondContact O-N 2.98Å
637	L	54.4	Low	55.9	Low	96 Å²	96	116 Å²	116	50%	0.503	58%	0.578	S	S	.	*	H	α-helix	trans	-71.6	-43.6	179.2	-75.8	164.2	0	0	0	112.5	T633 N634 H639 Q640 H641	T633-L637 WeakPolarHBondContact O-CG 3.19Å; T633-L637 PolarHBondContact O-N 3.22Å; T633-L637 VanDerWaalsContact O-N 3.1Å; N634-L637 PolarHBondContact O-N 3.46Å; L637-H639 VanDerWaalsContact C-N 3.29Å; L637-H639 PolarHBondContact O-N 2.92Å; L637-Q640 PolarHBondContact O-N 3.12Å; L637-Q640 VanDerWaalsContact O-N 3.14Å; L637-H641 PolarHBondContact O-N 3.24Å
638	E	50.1	Low	54.1	Low	140 Å²	140	119.1 Å²	119.1	65%	0.654	59%	0.587	S	S	*	*	H	α-helix	trans	-61.3	-36.9	178.2	-72.9	-175.3	107.8	0	0	112.4	N634 Q640 H641	N634-E638 PolarHBondContact O-N 3.05Å; N634-E638 VanDerWaalsContact O-N 3.16Å; E638-Q640 VanDerWaalsContact C-N 3.31Å; E638-Q640 PolarHBondContact O-N 3.06Å; E638-H641 PolarHBondContact O-N 3.12Å
639	H	53.5	Low	52.5	Low	129 Å²	129	122.4 Å²	122.4	60%	0.597	61%	0.607	S	S	*	*	H	α-helix	trans	-71	-19.7	177.1	-82.7	-57.5	0	0	0	114.6	H635 L637	H635-H639 AromaticContact CE1-NE2 3.99Å; H635-H639 AromaticContact ND1-CD2 3.84Å; H635-H639 AromaticContact ND1-NE2 3.87Å; H635-H639 PolarHBondContact O-CD2 2.75Å; L637-H639 VanDerWaalsContact C-N 3.29Å; L637-H639 PolarHBondContact O-N 2.92Å
640	Q	49.3	Very low	50.9	Low	140 Å²	140	126.1 Å²	126.1	65%	0.654	62%	0.621	S	S	*	*	H	α-helix	trans	-83.1	-30.1	171.4	-69.2	-162.3	-39.3	0	0	112.6	L637 E638 H642	L637-Q640 PolarHBondContact O-N 3.12Å; L637-Q640 VanDerWaalsContact O-N 3.14Å; E638-Q640 VanDerWaalsContact C-N 3.31Å; E638-Q640 PolarHBondContact O-N 3.06Å; Q640-H642 VanDerWaalsContact C-N 3.32Å; Q640-H642 PolarHBondContact O-N 2.96Å
641	H	51	Low	49.6	Very low	145 Å²	145	130.9 Å²	130.9	67%	0.671	64%	0.638	S	S	*	*	H	α-helix	trans	-71.8	-17.5	179.6	-89.7	-73	0	0	0	115.3	L637 E638	L637-H641 PolarHBondContact O-N 3.24Å; E638-H641 PolarHBondContact O-N 3.12Å
642	H	50.8	Low	48.4	Very low	156 Å²	156	135.5 Å²	135.5	72%	0.722	66%	0.656	S	S	*	*	H	α-helix	trans	-85.2	-35	175	-114	43.3	0	0	0	113.7	Q640 H644 R645	Q640-H642 VanDerWaalsContact C-N 3.32Å; Q640-H642 PolarHBondContact O-N 2.96Å; H642-H644 VanDerWaalsContact C-N 3.3Å; H642-H644 PolarHBondContact O-N 3.06Å; H642-R645 PolarHBondContact O-N 2.94Å
643	N	46.6	Very low	47.2	Very low	136 Å²	136	141.1 Å²	141.1	73%	0.727	68%	0.678	S	S	*	*	H	α-helix	trans	-77.5	-11	179.9	-77.3	-3.1	0	0	0	114.1
644	H	47.5	Very low	46	Very low	127 Å²	127	145.5 Å²	145.5	59%	0.588	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	-1.7	176.2	-124.2	39.5	0	0	0	114.4	H642	H642-H644 VanDerWaalsContact C-N 3.3Å; H642-H644 PolarHBondContact O-N 3.06Å
645	R	42	Very low	44.9	Very low	217 Å²	217	147.3 Å²	147.3	82%	0.819	70%	0.703	S	S	*	*	S	Bend	trans	-92.7	1.3	-177.4	-141.9	-178.2	-170.2	-160.9	2.3	114.8	H642	H642-R645 PolarHBondContact O-N 2.94Å
646	H	44.2	Very low	44	Very low	172 Å²	172	149 Å²	149	80%	0.796	71%	0.711	S	S	*	*	S	Bend	trans	-112.7	-10.1	-173.5	-137.1	-54.5	0	0	0	115.4
647	E	39.4	Very low	43.1	Very low	158 Å²	158	150.7 Å²	150.7	74%	0.738	72%	0.718	S	S	*	*	S	Bend	trans	-105.7	-10.1	-178.6	-72.1	-173.6	111.8	0	0	114.7
648	Q	38.8	Very low	42.1	Very low	155 Å²	155	153.6 Å²	153.6	72%	0.724	73%	0.729	S	S	*	*	S	Bend	trans	-96.1	11.3	-177.8	-66.3	-172.3	-8.9	0	0	114.5	I650	Q648-I650 VanDerWaalsContact C-N 3.28Å; Q648-I650 PolarHBondContact O-N 3.44Å
649	S	38	Very low	41.5	Very low	110 Å²	110	151.7 Å²	151.7	77%	0.769	73%	0.729	S	S	*	*	S	Bend	trans	-83.7	3.9	179.1	-166.7	0	0	0	0	114.4
650	I	40.2	Very low	40.5	Very low	144 Å²	144	150.7 Å²	150.7	74%	0.738	74%	0.737	S	S	*	*	S	Bend	trans	-139.7	77	-176	-46.1	177.6	0	0	0	110.4	Q648	Q648-I650 VanDerWaalsContact C-N 3.28Å; Q648-I650 PolarHBondContact O-N 3.44Å
651	H	41.1	Very low	39.9	Very low	173 Å²	173	152.2 Å²	152.2	80%	0.801	74%	0.744	S	S	*	*	S	Bend	trans	-179.9	162	141.6	-103	68.1	0	0	0	110.5
652	Q	38.3	Very low	39.1	Very low	184 Å²	184	153.9 Å²	153.9	86%	0.86	75%	0.746	S	S	*	*			trans	65.4	59.5	170.2	-62.8	178.9	2.4	0	0	117.5
653	H	35.6	Very low	38.5	Very low	187 Å²	187	151.8 Å²	151.8	87%	0.866	74%	0.739	S	S	*	*				-59.6	131.4	129	-83.1	-55	0	0	0	108.9
654	Q	37.3	Very low	38.1	Very low	169 Å²	169	150.9 Å²	150.9	79%	0.79	73%	0.733	S	S	*	*			trans	166.5	132	133	-94.3	169.3	23.7	0	0	113.2
655	N	34.8	Very low	37.7	Very low	121 Å²	121	150.3 Å²	150.3	65%	0.647	74%	0.735	S	S	*	*			trans	65.7	146.8	152	-59.1	-37	0	0	0	119.1
656	Q	36.2	Very low	37.4	Very low	147 Å²	147	147.6 Å²	147.6	69%	0.687	73%	0.731	S	S	*	*			cis	-161.6	142.2	-9.7	-113.5	158.9	30.8	0	0	110.8
657	H	36.8	Very low	36.9	Very low	158 Å²	158	146.7 Å²	146.7	73%	0.731	73%	0.727	S	S	*	*			trans	36.3	147.2	131.3	-65.9	66.9	0	0	0	121.5
658	Q	32.4	Very low	36.7	Very low	157 Å²	157	143.3 Å²	143.3	73%	0.734	72%	0.721	S	S	*	*			cis	-173.1	-155	-8.7	-112.7	-161.5	35.1	0	0	107.2
659	P	36.6	Very low	36.6	Very low	100 Å²	100	143.7 Å²	143.7	65%	0.649	73%	0.725	S	S	*	*				-131.8	169.4	-74.1	41.8	-25.7	0	0	0	115.9
660	S	33.9	Very low	36.4	Very low	108 Å²	108	145.3 Å²	145.3	76%	0.755	72%	0.724	S	S	*	*			trans	173.8	117.2	143.5	-79.5	0	0	0	0	109.7
661	Q	36.1	Very low	36	Very low	173 Å²	173	144.4 Å²	144.4	81%	0.808	72%	0.721	S	S	*	*				66.4	134.5	88.5	-68	-165.1	6.4	0	0	114.2
662	Y	34.4	Very low	35.7	Very low	180 Å²	180	141.7 Å²	141.7	71%	0.706	72%	0.717	S	S	*	*			cis	-159.1	142.8	23.1	-154.3	-128.2	0	0	0	111.7
663	I	38.2	Very low	35.6	Very low	112 Å²	112	140.3 Å²	140.3	57%	0.574	71%	0.71	S	S	*	*			trans	50.1	140.6	140.7	-70.5	-160.7	0	0	0	120.2
664	D	38.7	Very low	35.6	Very low	116 Å²	116	138 Å²	138	62%	0.62	70%	0.701	S	S	*	*			cis	-174.6	-176.4	-2.7	-100	5.2	0	0	0	106.8
665	N	37.8	Very low	35.5	Very low	115 Å²	115	136.8 Å²	136.8	62%	0.615	70%	0.695	S	S	*	*			cis	-157.1	153.4	-6.7	-113.7	-25.1	0	0	0	108.8
666	E	35.7	Very low	35.8	Very low	160 Å²	160	138.5 Å²	138.5	75%	0.748	70%	0.7	S	S	*	*				55.2	142.2	91.9	-73.6	-153.1	161.3	0	0	118.9
667	H	35.3	Very low	35.9	Very low	153 Å²	153	141.1 Å²	141.1	71%	0.708	70%	0.704	S	S	*	*			cis	-171.8	175.8	-21.2	-149.1	-100.3	0	0	0	110.1
668	S	34.7	Very low	36	Very low	87 Å²	87	136.6 Å²	136.6	61%	0.608	70%	0.7	S	S	*	*			trans	69.8	154.2	149.5	-80.3	0	0	0	0	120.1
669	M	37.1	Very low	36	Very low	163 Å²	163	135 Å²	135	80%	0.803	70%	0.701	S	S	*	*			cis	-143.7	142.7	-6.5	-71.8	-149	176.6	0	0	113.9
670	L	32.6	Very low	35.9	Very low	144 Å²	144	137.4 Å²	137.4	75%	0.754	70%	0.703	S	S	*	*			trans	22.2	144.5	135.3	-66.7	162.7	0	0	0	125.3
671	N	31.7	Very low	35.9	Very low	126 Å²	126	137.3 Å²	137.3	67%	0.674	70%	0.698	S	S	*	*				104.7	115.4	129.2	-82.1	-4.4	0	0	0	125.3
672	T	36	Very low	35.8	Very low	116 Å²	116	134.5 Å²	134.5	71%	0.712	69%	0.689	S	S	*	*				93.3	153.3	123.2	58.7	0	0	0	0	125.4
673	H	36.5	Very low	35.8	Very low	155 Å²	155	132.9 Å²	132.9	72%	0.718	69%	0.688	S	S	*	*			trans	70.6	129.3	175.7	-80.6	-99.6	0	0	0	117.3
674	M	35	Very low	35.7	Very low	137 Å²	137	134 Å²	134	68%	0.675	69%	0.69	S	S	*	*				74.1	138.4	53.9	-60.9	-100.6	-75.3	0	0	111.7
675	E	35.8	Very low	35.4	Very low	144 Å²	144	135.4 Å²	135.4	67%	0.673	69%	0.693	S	S	*	*			cis	-136.6	-165.5	6.3	-108.4	149.6	144.9	0	0	108.9
676	Q	40.8	Very low	35.4	Very low	158 Å²	158	138.1 Å²	138.1	74%	0.738	70%	0.701	S	S	*	*				176.5	137.1	52.4	-176.5	172.3	-14.2	0	0	112.1
677	Y	38.8	Very low	35.2	Very low	201 Å²	201	136.6 Å²	136.6	79%	0.788	70%	0.698	S	S	*	*			trans	27.1	147	163.6	-45.2	-47.7	0	0	0	123.4
678	G	37.1	Very low	35.3	Very low	63 Å²	63	136.6 Å²	136.6	65%	0.649	70%	0.703	S	S	*	*			cis	172.1	148.8	-4.9	0	0	0	0	0	115.5
679	V	32.6	Very low	35.2	Very low	123 Å²	123	139 Å²	139	75%	0.745	71%	0.709	S	S	*	*			trans	6.2	150.9	140.3	-106.6	0	0	0	0	119.8
680	H	35.2	Very low	35.3	Very low	151 Å²	151	135 Å²	135	70%	0.699	71%	0.71	S	S	*	*				-169	142.1	50.5	-115.3	-68.4	0	0	0	113
681	T	34.8	Very low	35.3	Very low	106 Å²	106	135.6 Å²	135.6	65%	0.65	71%	0.714	S	S	*	*				28.2	169	129.5	67.1	0	0	0	0	122.7
682	N	32.7	Very low	35.7	Very low	114 Å²	114	136.5 Å²	136.5	61%	0.61	72%	0.719	S	S	*	*			cis	-168.8	167.1	13.4	-136.1	-14.6	0	0	0	113
683	H	34.4	Very low	35.6	Very low	146 Å²	146	137.5 Å²	137.5	68%	0.676	72%	0.72	S	S	*	*			trans	67	162.2	144.7	-69	-11.5	0	0	0	120.5
684	H	36.8	Very low	35.7	Very low	135 Å²	135	136.3 Å²	136.3	63%	0.625	72%	0.724	S	S	*	*			cis	-148.2	176.4	-1.4	-140.8	58.3	0	0	0	114.3
685	H	32.6	Very low	35.8	Very low	147 Å²	147	136.6 Å²	136.6	68%	0.681	73%	0.727	S	S	*	*			trans	-52.1	158.8	163.1	-64.2	-74.3	0	0	0	112.7
686	H	38	Very low	35.9	Very low	172 Å²	172	137.2 Å²	137.2	80%	0.796	73%	0.73	S	S	*	*				-151.2	157.1	53.6	-105	-88.7	0	0	0	116.9
687	N	31.8	Very low	35.7	Very low	128 Å²	128	137.4 Å²	137.4	68%	0.684	73%	0.731	S	S	*	*			trans	-110.8	138.6	167.3	179.3	35.5	0	0	0	107.6
688	D	37.2	Very low	35.5	Very low	152 Å²	152	132.2 Å²	132.2	81%	0.813	72%	0.724	S	S	*	*			trans	-154.6	151.1	160.1	-144.8	-20.3	0	0	0	112
689	N	32	Very low	35.3	Very low	137 Å²	137	138.3 Å²	138.3	73%	0.733	74%	0.735	S	S	*	*			trans	-103.2	112.6	-172.8	-71.8	-77.4	0	0	0	111.8
690	G	38.3	Very low	35	Very low	80 Å²	80	142.6 Å²	142.6	83%	0.825	74%	0.74	S	S	*	*			trans	-100.7	91.5	166.3	0	0	0	0	0	111.3	D692	G690-D692 PolarHBondContact O-N 3.34Å
691	N	33.4	Very low	34.7	Very low	157 Å²	157	142.3 Å²	142.3	84%	0.84	74%	0.743	S	S	*	*			trans	-64.9	122.9	158.6	-80.9	-32.8	0	0	0	107.7
692	D	39.8	Very low	34.4	Very low	145 Å²	145	145.1 Å²	145.1	78%	0.775	75%	0.751	S	S	*	*				-150.9	154.4	128.2	-127.2	-35.5	0	0	0	114.6	G690	G690-D692 PolarHBondContact O-N 3.34Å
693	N	33.6	Very low	34.6	Very low	137 Å²	137	148 Å²	148	73%	0.733	76%	0.763	S	S	*	*			trans	-71.5	155.7	-174.6	-56.1	-96.4	0	0	0	111.5
694	V	40	Very low	34.4	Very low	130 Å²	130	147 Å²	147	79%	0.788	76%	0.762	S	S	*	*				177.8	134	115.6	146.4	0	0	0	0	113.1
695	L	36.9	Very low	34.5	Very low	143 Å²	143	147.9 Å²	147.9	75%	0.749	77%	0.767	S	S	*	*			trans	62	113.9	162.1	-106	61.7	0	0	0	122.3
696	H	36.1	Very low	34.7	Very low	157 Å²	157	147 Å²	147	73%	0.727	77%	0.767	S	S	*	*			trans	64.8	145.5	133.2	-82.2	47.7	0	0	0	119.9
697	Q	38	Very low	34.5	Very low	162 Å²	162	146.3 Å²	146.3	76%	0.757	77%	0.768	S	S	*	*			cis	-173.1	140.1	-13.4	173.5	-177.8	13.4	0	0	106.7
698	S	33.7	Very low	34.8	Very low	92 Å²	92	143.5 Å²	143.5	64%	0.643	77%	0.769	S	S	*	*			cis	-143	140.9	-16.2	41.1	0	0	0	0	106.1
699	Q	33.9	Very low	34.9	Very low	190 Å²	190	144 Å²	144	89%	0.888	77%	0.771	S	S	*	*				58.5	139.1	72	-77.6	-167	-8.6	0	0	115.9
700	Y	26.2	Very low	34.9	Very low	214 Å²	214	146 Å²	146	84%	0.839	77%	0.773	S	S	*	*	S	Bend	trans	-71.9	168.7	-177.3	-89.2	-109.8	0	0	0	113.7
701	N	27.8	Very low	34.9	Very low	144 Å²	144	147.4 Å²	147.4	77%	0.77	77%	0.769	S	S	*	*			trans	78.2	157.3	156.1	-64.7	-25.7	0	0	0	118.9
702	M	29.7	Very low	34.8	Very low	166 Å²	166	146.4 Å²	146.4	82%	0.818	76%	0.762	S	S	*	*			trans	61.1	91.8	154.4	-77.6	-179.8	173	0	0	117.9
703	M	36.3	Very low	34.6	Very low	175 Å²	175	146.1 Å²	146.1	86%	0.862	76%	0.759	S	S	*	*				153.7	157.3	109	-81.4	175.5	-150.8	0	0	109.8
704	N	30.2	Very low	34.4	Very low	124 Å²	124	146.9 Å²	146.9	66%	0.663	76%	0.763	S	S	*	*			cis	-179.1	149.3	-24.6	-179.3	12.2	0	0	0	104.1
705	Q	38.2	Very low	34.1	Very low	154 Å²	154	147.5 Å²	147.5	72%	0.72	76%	0.762	S	S	*	*			trans	68.4	145.5	177.3	-46	169.9	31.1	0	0	113.8
706	N	37	Very low	34	Very low	128 Å²	128	145.7 Å²	145.7	68%	0.684	76%	0.757	S	S	*	*			cis	-151.1	154.9	-8.2	-125.9	-22	0	0	0	111.6
707	L	35.4	Very low	33.7	Very low	158 Å²	158	145.3 Å²	145.3	83%	0.827	76%	0.761	S	S	*	*			trans	29.3	114.1	151.4	-62.8	158.6	0	0	0	118.9
708	G	37.1	Very low	33.5	Very low	68 Å²	68	143 Å²	143	70%	0.701	76%	0.762	S	S	*	*			cis	163.6	-171.8	-3.7	0	0	0	0	0	114.4
709	L	38.8	Very low	33.8	Very low	164 Å²	164	145.9 Å²	145.9	86%	0.859	77%	0.77	S	S	*	*			trans	68.6	86.9	162.1	-67	131.5	0	0	0	119.5
710	F	32.3	Very low	34	Very low	177 Å²	177	144.4 Å²	144.4	78%	0.776	77%	0.768	S	S	*	*				-20.6	162.2	118.2	-62	-81	0	0	0	116.2	L712	F710-L712 HydrophobicContact CD1-CD1 4.2Å
711	P	38.4	Very low	34.3	Very low	111 Å²	111	137.8 Å²	137.8	72%	0.721	75%	0.747	S	S	*	*			cis	-122.7	167.7	21.9	14.4	12.1	0	0	0	115
712	L	30.4	Very low	34.9	Very low	135 Å²	135	137.7 Å²	137.7	71%	0.707	75%	0.752	S	S	*	*			cis	81.9	152.6	37.5	-143.9	161.8	0	0	0	112.5	F710	F710-L712 HydrophobicContact CD1-CD1 4.2Å
713	I	35.6	Very low	35.5	Very low	139 Å²	139	135.2 Å²	135.2	71%	0.713	74%	0.738	S	S	*	*			trans	82.4	113.1	-179.8	-48.4	167.5	0	0	0	111.7
714	N	30.7	Very low	35.5	Very low	153 Å²	153	133.2 Å²	133.2	82%	0.818	73%	0.731	S	S	*	*				76.4	154	57	-79.9	-17.6	0	0	0	115.9
715	N	33.2	Very low	36.1	Very low	144 Å²	144	133.2 Å²	133.2	77%	0.77	73%	0.73	S	S	*	*			trans	78	94.5	169.6	-107.5	-18.7	0	0	0	120.6
716	T	34	Very low	36.3	Very low	104 Å²	104	132.2 Å²	132.2	64%	0.638	73%	0.729	S	S	*	*				15.8	145.5	128	73.5	0	0	0	0	122.4
717	N	30.9	Very low	36.4	Very low	149 Å²	149	135.9 Å²	135.9	80%	0.797	74%	0.739	S	S	*	*			trans	80.3	144.2	157.1	-57.8	-44.7	0	0	0	119.1
718	S	34.2	Very low	36.5	Very low	113 Å²	113	134.2 Å²	134.2	79%	0.79	74%	0.736	S	S	*	*			trans	63.8	139.5	-174.7	-84.5	0	0	0	0	115.3
719	L	40.3	Very low	36.6	Very low	154 Å²	154	136.5 Å²	136.5	81%	0.806	73%	0.73	S	S	*	*			cis	-128.4	147.3	-10.4	-59	90.5	0	0	0	107.6
720	N	36.6	Very low	36.7	Very low	158 Å²	158	138.9 Å²	138.9	85%	0.845	73%	0.733	S	S	*	*				57	44.1	56.8	-84.1	-7.8	0	0	0	116.6
721	N	32.8	Very low	37.2	Very low	75 Å²	75	137 Å²	137	40%	0.401	73%	0.732	S	S	.	*				-168.6	100.8	129.6	-115.3	-31.5	0	0	0	115.2	S1070 N1071	N721-S1070 VanDerWaalsContact CG-OG 3.25Å; N721-S1070 PolarHBondContact ND2-OG 3.03Å; N721-S1070 VanDerWaalsContact ND2-OG 3.15Å; N721-S1070 PolarHBondContact OD1-OG 3.36Å; N721-N1071 PolarHBondContact ND2-OD1 3.34Å
722	T	40.7	Very low	37.6	Very low	143 Å²	143	137.2 Å²	137.2	88%	0.877	72%	0.721	S	S	*	*			trans	-153	76.9	153.8	-32.3	0	0	0	0	110.6
723	Q	42.1	Very low	38.3	Very low	113 Å²	113	140.4 Å²	140.4	53%	0.528	73%	0.729	S	S	.	*			trans	-77.6	155.9	166.8	-61.1	-164.6	19.7	0	0	111.2
724	N	35.8	Very low	38.9	Very low	134 Å²	134	139.8 Å²	139.8	72%	0.717	73%	0.726	S	S	*	*	S	Bend	trans	71.3	29.2	149.3	-56.7	-27.3	0	0	0	121.2
725	I	44.3	Very low	39.6	Very low	124 Å²	124	136.9 Å²	136.9	64%	0.636	71%	0.714	S	S	*	*	S	Bend	trans	-115.3	165.7	145.7	-61.5	86.6	0	0	0	108.9	K727	I725-K727 PolarHBondContact O-N 2.84Å
726	N	41.7	Very low	40.4	Very low	132 Å²	132	136.1 Å²	136.1	71%	0.706	71%	0.708	S	S	*	*	S	Bend	trans	77.3	5.1	176.3	-61.9	-45.2	0	0	0	119.2
727	K	38.5	Very low	41.5	Very low	205 Å²	205	133 Å²	133	89%	0.891	69%	0.689	S	S	*	*	S	Bend	trans	-95.4	15.6	167.1	-84.4	175.2	-177.4	161	0	115	I725	I725-K727 PolarHBondContact O-N 2.84Å
728	T	37.6	Very low	43.1	Very low	124 Å²	124	131.8 Å²	131.8	76%	0.761	68%	0.678	S	S	*	*	S	Bend	trans	-121.7	-3.4	-175.4	41.8	0	0	0	0	115.5
729	M	40.4	Very low	45.2	Very low	115 Å²	115	130.2 Å²	130.2	57%	0.567	68%	0.68	S	S	*	*			trans	-106.2	-8.1	-173.9	-78.5	-67.5	-167.6	0	0	116.7	N731 K732	M729-N731 PolarHBondContact O-N 3.37Å; M729-K732 HydrophobicContact SD-CD 4.41Å
730	K	40.1	Very low	47.4	Very low	214 Å²	214	126.3 Å²	126.3	93%	0.93	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	48.9	-179	-77.1	-177.8	176.7	171.2	0	114
731	N	43.2	Very low	50.2	Low	139 Å²	139	123.3 Å²	123.3	74%	0.743	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.2	13.5	173.1	-139.4	16.9	0	0	0	114.5	M729	M729-N731 PolarHBondContact O-N 3.37Å
732	K	46.8	Very low	53.2	Low	115 Å²	115	119.8 Å²	119.8	50%	0.5	62%	0.616	S	S	.	*			trans	-108.9	14.5	-176.8	-75.8	179.5	164.9	-179	0	115.5	M729 L734 Y1059	M729-K732 HydrophobicContact SD-CD 4.41Å; K732-L734 VanDerWaalsContact C-N 3.32Å; K732-L734 PolarHBondContact O-N 2.92Å; K732-Y1059 HydrophobicContact CD-CE2 3.79Å; K732-Y1059 VanDerWaalsContact CD-OH 3.24Å; K732-Y1059 WeakPolarHBondContact CD-OH 3.39Å; K732-Y1059 PolarHBondContact NZ-OH 3.13Å
733	K	44.5	Very low	55.7	Low	202 Å²	202	117.1 Å²	117.1	88%	0.878	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	37.8	176.9	-152.3	169.9	-173.5	171.3	0	113.8
734	L	49.1	Very low	58.1	Low	125 Å²	125	112.4 Å²	112.4	65%	0.654	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.9	-3.2	-179.6	-75.2	171.8	0	0	0	114.1	K732 M736 T737	K732-L734 VanDerWaalsContact C-N 3.32Å; K732-L734 PolarHBondContact O-N 2.92Å; L734-M736 VanDerWaalsContact C-N 3.34Å; L734-T737 PolarHBondContact O-OG1 2.74Å
735	T	45.6	Very low	60.9	Low	92 Å²	92	108 Å²	108	56%	0.564	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-7.8	179.5	46.8	0	0	0	0	114.3
736	M	50.1	Low	63.2	Low	129 Å²	129	104.4 Å²	104.4	64%	0.635	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	19.2	176.5	-86.6	-78.4	116.4	0	0	113.7	L734 R740	L734-M736 VanDerWaalsContact C-N 3.34Å; M736-R740 PolarHBondContact O-NH2 3.05Å
737	T	57.2	Low	65.6	Low	38 Å²	38	99.5 Å²	99.5	23%	0.233	53%	0.528	C	S	.	.			trans	-103.8	-11.5	173.7	38.4	0	0	0	0	114.7	L734 G739 R740	L734-T737 PolarHBondContact O-OG1 2.74Å; T737-G739 PolarHBondContact O-N 3Å; T737-G739 VanDerWaalsContact O-N 3.1Å; T737-R740 PolarHBondContact O-N 2.88Å; T737-R740 VanDerWaalsContact O-N 3.11Å
738	E	62.7	Low	68.3	Low	123 Å²	123	93.9 Å²	93.9	58%	0.575	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	104.2	-177.5	-161.9	152.9	137.5	0	0	110.5	Y1048 S1051	E738-Y1048 HydrophobicContact CB-CD2 4.32Å; E738-Y1048 HydrophobicContact CB-CE2 3.96Å; E738-Y1048 HydrophobicContact CG-CD2 4.05Å; E738-Y1048 HydrophobicContact CG-CE2 4.19Å; E738-S1051 PolarHBondContact OE1-OG 3.46Å
739	G	79	Confident	70.8	Confident	80 Å²	80	92.5 Å²	92.5	83%	0.825	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	122.6	-13	-172.9	0	0	0	0	0	114.7	T737	T737-G739 PolarHBondContact O-N 3Å; T737-G739 VanDerWaalsContact O-N 3.1Å
740	R	87.5	Confident	73.3	Confident	73 Å²	73	88.6 Å²	88.6	28%	0.275	49%	0.49	S	S	.	.			trans	-90.3	123.9	168.8	-75.4	-177.6	-82.2	173	-10.8	110.4	M736 T737 T748 W753 Y761	M736-R740 PolarHBondContact O-NH2 3.05Å; T737-R740 PolarHBondContact O-N 2.88Å; T737-R740 VanDerWaalsContact O-N 3.11Å; R740-T748 WeakPolarHBondContact O-CA 3.4Å; R740-W753 HydrophobicContact CB-CD2 4.45Å; R740-W753 HydrophobicContact CB-CH2 3.81Å; R740-W753 HydrophobicContact CB-CZ2 3.63Å; R740-W753 HydrophobicContact CB-CZ3 4.29Å; R740-W753 WeakPolarHBondContact O-CH2 3.48Å; R740-W753 WeakPolarHBondContact O-CZ2 3.45Å; R740-Y761 VanDerWaalsContact CD-CE1 3.47Å; R740-Y761 HydrophobicContact CG-CD1 4.17Å; R740-Y761 HydrophobicContact CG-CD2 4.13Å; R740-Y761 HydrophobicContact CG-CE1 4.08Å; R740-Y761 HydrophobicContact CG-CE2 4.04Å; R740-Y761 HydrophobicContact CG-CG 4.2Å
741	E	94.1	Very high	75.7	Confident	94 Å²	94	84.3 Å²	84.3	44%	0.439	48%	0.484	S	S	.	.			trans	-127.9	148.8	170.5	65.2	-165.8	155.3	0	0	111	V743 T748 K1044	E741-V743 PolarHBondContact O-N 3.26Å; E741-T748 HydrophobicContact CB-CG2 4.1Å; E741-K1044 IonicContact OE1-NZ 2.81Å
742	C	95.9	Very high	78.1	Confident	1 Å²	1	81.8 Å²	81.8	1%	0.007	47%	0.47	C	S	.	.			trans	-74.9	114.3	-179.9	176.3	0	0	0	0	111	N744 C745 G746 A747 W753 Y761 C763	C742-N744 PolarHBondContact O-N 3.32Å; C742-C745 PolarHBondContact O-N 2.88Å; C742-C745 PolarHBondContact SG-SG 3.12Å; C742-G746 PolarHBondContact O-N 3.14Å; C742-A747 HydrophobicContact CB-CB 4.18Å; C742-A747 PolarHBondContact N-O 3.08Å; C742-W753 HydrophobicContact CB-CZ3 4.44Å; C742-Y761 CarbonylContact C-O 3.28Å; C742-Y761 WeakPolarHBondContact CA-O 3.37Å; C742-C763 HydrophobicContact CB-CB 3.82Å; C742-C763 PolarHBondContact SG-N 2.74Å
743	V	93.4	Very high	80.4	Confident	88 Å²	88	78.4 Å²	78.4	53%	0.533	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-29.2	-177.9	-59.6	0	0	0	0	113.6	E741 N760 Y761 L762	E741-V743 PolarHBondContact O-N 3.26Å; V743-N760 HydrophobicContact CB-CB 4.47Å; V743-N760 HydrophobicContact CG1-CB 3.93Å; V743-N760 HydrophobicContact CG2-CB 3.73Å; V743-Y761 PolarHBondContact N-O 3.06Å; V743-L762 HydrophobicContact CG2-CD2 3.68Å; V743-L762 HydrophobicContact CG2-CG 4.46Å
744	N	92.5	Very high	82.7	Confident	14 Å²	14	72.6 Å²	72.6	8%	0.075	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-42.5	172.4	175.4	-85.8	0	0	0	113.9	C742 L762 C766 N776 R777 L779	C742-N744 PolarHBondContact O-N 3.32Å; N744-L762 HydrophobicContact CB-CD2 3.73Å; N744-C766 HydrophobicContact CB-CB 3.92Å; N744-C766 PolarHBondContact OD1-SG 3.39Å; N744-N776 PolarHBondContact ND2-OD1 3.34Å; N744-R777 PolarHBondContact ND2-N 3.16Å; N744-R777 VanDerWaalsContact ND2-N 3.14Å; N744-R777 PolarHBondContact ND2-O 3.28Å; N744-L779 WeakPolarHBondContact O-CD1 3.44Å; N744-L779 VanDerWaalsContact O-CD2 3.22Å; N744-L779 WeakPolarHBondContact O-CD2 3.43Å
745	C	93.9	Very high	84.8	Confident	42 Å²	42	73.4 Å²	73.4	28%	0.284	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.6	7.8	-165.1	74.9	0	0	0	0	117.1	C742 A747 C766 L779	C742-C745 PolarHBondContact O-N 2.88Å; C742-C745 PolarHBondContact SG-SG 3.12Å; C745-A747 PolarHBondContact O-N 3.03Å; C745-A747 VanDerWaalsContact SG-CB 3.58Å; C745-C766 PolarHBondContact SG-SG 3.19Å; C745-L779 HydrophobicContact CB-CD2 3.61Å
746	G	93.7	Very high	86.9	Confident	47 Å²	47	70.2 Å²	70.2	49%	0.485	40%	0.4	S	S	.	.			trans	64.2	9.3	179.5	0	0	0	0	0	115.1	C742 T748	C742-G746 PolarHBondContact O-N 3.14Å; G746-T748 PolarHBondContact O-N 2.9Å
747	A	92.7	Very high	88.7	Confident	29 Å²	29	68.1 Å²	68.1	24%	0.24	41%	0.412	C	S	.	.			trans	-69.6	112.6	177.8	0	0	0	0	0	110.3	C742 C745 S749 W753 C763	C742-A747 HydrophobicContact CB-CB 4.18Å; C742-A747 PolarHBondContact N-O 3.08Å; C745-A747 PolarHBondContact O-N 3.03Å; C745-A747 VanDerWaalsContact SG-CB 3.58Å; A747-S749 VanDerWaalsContact C-N 3.34Å; A747-W753 VanDerWaalsContact O-CH2 3.3Å; A747-W753 WeakPolarHBondContact O-CH2 3.49Å; A747-C763 HydrophobicContact CB-CB 4.2Å
748	T	94.3	Very high	90.1	Very high	88 Å²	88	73.4 Å²	73.4	54%	0.54	43%	0.434	S	S	.	.	S	Bend	trans	-80.9	-11.4	175.8	52.1	0	0	0	0	113.6	R740 E741 G746	R740-T748 WeakPolarHBondContact O-CA 3.4Å; E741-T748 HydrophobicContact CB-CG2 4.1Å; G746-T748 PolarHBondContact O-N 2.9Å
749	S	90.8	Very high	91.4	Very high	95 Å²	95	69 Å²	69	66%	0.664	42%	0.421	S	S	*	.			trans	-133.8	144	174.7	62.7	0	0	0	0	111.1	A747	A747-S749 VanDerWaalsContact C-N 3.34Å
750	T	91.2	Very high	92	Very high	33 Å²	33	68.5 Å²	68.5	20%	0.202	40%	0.399	C	S	.	.			trans	-160.6	146.9	-177.8	-168.9	0	0	0	0	110.6	L752 W753 C763 N764	T750-L752 WeakPolarHBondContact CG2-O 3.32Å; T750-L752 PolarHBondContact O-N 3.42Å; T750-L752 PolarHBondContact OG1-O 3.02Å; T750-W753 HydrophobicContact CG2-CB 4.48Å; T750-W753 HydrophobicContact CG2-CD2 3.44Å; T750-W753 VanDerWaalsContact CG2-CD2 3.44Å; T750-W753 HydrophobicContact CG2-CE3 3.81Å; T750-W753 HydrophobicContact CG2-CG 3.76Å; T750-W753 HydrophobicContact CG2-CH2 4.31Å; T750-W753 HydrophobicContact CG2-CZ2 4Å; T750-W753 HydrophobicContact CG2-CZ3 4.22Å; T750-C763 HydrophobicContact CG2-CB 4.19Å; T750-C763 WeakPolarHBondContact OG1-CB 3.44Å; T750-N764 PolarHBondContact OG1-N 3.22Å
751	P	91.7	Very high	92.3	Very high	124 Å²	124	68.9 Å²	68.9	81%	0.805	40%	0.402	S	S	*	.	S	Bend	trans	-68.8	-14.4	176.6	27.4	-36.5	0	0	0	114.1	N764	P751-N764 HydrophobicContact CG-CB 4.36Å
752	L	93.2	Very high	92.3	Very high	86 Å²	86	64.5 Å²	64.5	45%	0.45	38%	0.381	S	S	.	.	S	Bend	trans	-155.6	123	171.5	176	62.5	0	0	0	109.9	T750 N764	T750-L752 WeakPolarHBondContact CG2-O 3.32Å; T750-L752 PolarHBondContact O-N 3.42Å; T750-L752 PolarHBondContact OG1-O 3.02Å; L752-N764 HydrophobicContact CB-CB 4.05Å; L752-N764 WeakPolarHBondContact O-CA 3.41Å; L752-N764 WeakPolarHBondContact O-CB 3.37Å; L752-N764 PolarHBondContact O-N 3.45Å
753	W	94.6	Very high	92.3	Very high	43 Å²	43	64.7 Å²	64.7	16%	0.163	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	137.5	167.6	-70.4	104.2	0	0	0	110.2	R740 C742 A747 T750	R740-W753 HydrophobicContact CB-CD2 4.45Å; R740-W753 HydrophobicContact CB-CH2 3.81Å; R740-W753 HydrophobicContact CB-CZ2 3.63Å; R740-W753 HydrophobicContact CB-CZ3 4.29Å; R740-W753 WeakPolarHBondContact O-CH2 3.48Å; R740-W753 WeakPolarHBondContact O-CZ2 3.45Å; C742-W753 HydrophobicContact CB-CZ3 4.44Å; A747-W753 VanDerWaalsContact O-CH2 3.3Å; A747-W753 WeakPolarHBondContact O-CH2 3.49Å; T750-W753 HydrophobicContact CG2-CB 4.48Å; T750-W753 HydrophobicContact CG2-CD2 3.44Å; T750-W753 VanDerWaalsContact CG2-CD2 3.44Å; T750-W753 HydrophobicContact CG2-CE3 3.81Å; T750-W753 HydrophobicContact CG2-CG 3.76Å; T750-W753 HydrophobicContact CG2-CH2 4.31Å; T750-W753 HydrophobicContact CG2-CZ2 4Å; T750-W753 HydrophobicContact CG2-CZ3 4.22Å
754	R	93.7	Very high	92.4	Very high	80 Å²	80	62.4 Å²	62.4	30%	0.302	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	165.9	174	-64.9	179.3	177.4	-83.9	-5.3	109	L762 N764	R754-L762 HydrophobicContact CB-CB 4.3Å; R754-L762 PolarHBondContact N-O 3.15Å; R754-L762 PolarHBondContact O-N 2.92Å; R754-N764 PolarHBondContact NE-OD1 2.83Å; R754-N764 PolarHBondContact NH2-OD1 3.37Å
755	R	93.1	Very high	92.4	Very high	143 Å²	143	63.9 Å²	63.9	54%	0.54	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	153.9	165.5	-62.9	-175.3	-172.6	-81.6	3.4	110.3	G759 N760 Y761	R755-G759 WeakPolarHBondContact CD-O 3.34Å; R755-G759 PolarHBondContact NH1-O 2.97Å; R755-N760 VanDerWaalsContact CA-O 3.23Å; R755-N760 WeakPolarHBondContact CA-O 3.49Å; R755-Y761 PolarHBondContact NH1-OH 3.02Å; R755-Y761 PolarHBondContact NH2-OH 3.47Å
756	D	89.1	Confident	92.5	Very high	25 Å²	25	61.9 Å²	61.9	13%	0.134	37%	0.368	C	S	.	.			trans	-85	-176	160.2	61	12.2	0	0	0	110.4	Q758 G759 N760 L762	D756-Q758 VanDerWaalsContact CG-OE1 3.31Å; D756-Q758 PolarHBondContact O-N 3.05Å; D756-Q758 WeakPolarHBondContact OD1-CA 3.39Å; D756-Q758 PolarHBondContact OD1-N 3.47Å; D756-Q758 VanDerWaalsContact OD1-N 3.17Å; D756-G759 PolarHBondContact O-N 3.1Å; D756-G759 PolarHBondContact OD1-N 3.34Å; D756-N760 PolarHBondContact N-O 3.18Å; D756-N760 WeakPolarHBondContact OD1-CB 3.24Å; D756-N760 PolarHBondContact OD1-N 2.91Å; D756-N760 PolarHBondContact OD1-ND2 3.41Å; D756-N760 WeakPolarHBondContact OD2-CB 3.48Å; D756-N760 PolarHBondContact OD2-ND2 3.39Å; D756-L762 HydrophobicContact CB-CD1 4.1Å
757	G	87.4	Confident	92.6	Very high	85 Å²	85	60 Å²	60	88%	0.876	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-20.4	178	0	0	0	0	0	113.8	G759	G757-G759 VanDerWaalsContact C-N 3.33Å
758	Q	88	Confident	92.6	Very high	149 Å²	149	61.7 Å²	61.7	70%	0.696	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-2.2	176.4	-61.2	83.6	-10.8	0	0	112.5	D756	D756-Q758 VanDerWaalsContact CG-OE1 3.31Å; D756-Q758 PolarHBondContact O-N 3.05Å; D756-Q758 WeakPolarHBondContact OD1-CA 3.39Å; D756-Q758 PolarHBondContact OD1-N 3.47Å; D756-Q758 VanDerWaalsContact OD1-N 3.17Å
759	G	88.9	Confident	92.6	Very high	30 Å²	30	60.5 Å²	60.5	31%	0.309	34%	0.339	S	S	.	.			trans	84.9	-1.6	178.3	0	0	0	0	0	115.5	R755 D756 G757	R755-G759 WeakPolarHBondContact CD-O 3.34Å; R755-G759 PolarHBondContact NH1-O 2.97Å; D756-G759 PolarHBondContact O-N 3.1Å; D756-G759 PolarHBondContact OD1-N 3.34Å; G757-G759 VanDerWaalsContact C-N 3.33Å
760	N	91.8	Very high	92.7	Very high	69 Å²	69	58.4 Å²	58.4	37%	0.369	32%	0.319	S	S	.	.			trans	-63.3	148.9	-177.7	-61.2	-62	0	0	0	112.2	V743 R755 D756 L762	V743-N760 HydrophobicContact CB-CB 4.47Å; V743-N760 HydrophobicContact CG1-CB 3.93Å; V743-N760 HydrophobicContact CG2-CB 3.73Å; R755-N760 VanDerWaalsContact CA-O 3.23Å; R755-N760 WeakPolarHBondContact CA-O 3.49Å; D756-N760 PolarHBondContact N-O 3.18Å; D756-N760 WeakPolarHBondContact OD1-CB 3.24Å; D756-N760 PolarHBondContact OD1-N 2.91Å; D756-N760 PolarHBondContact OD1-ND2 3.41Å; D756-N760 WeakPolarHBondContact OD2-CB 3.48Å; D756-N760 PolarHBondContact OD2-ND2 3.39Å; N760-L762 PolarHBondContact O-N 3.09Å
761	Y	94.2	Very high	92.7	Very high	82 Å²	82	65.4 Å²	65.4	32%	0.322	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	124.3	176.4	-65.6	-71.5	0	0	0	112	R740 C742 V743 R755	R740-Y761 VanDerWaalsContact CD-CE1 3.47Å; R740-Y761 HydrophobicContact CG-CD1 4.17Å; R740-Y761 HydrophobicContact CG-CD2 4.13Å; R740-Y761 HydrophobicContact CG-CE1 4.08Å; R740-Y761 HydrophobicContact CG-CE2 4.04Å; R740-Y761 HydrophobicContact CG-CG 4.2Å; C742-Y761 CarbonylContact C-O 3.28Å; C742-Y761 WeakPolarHBondContact CA-O 3.37Å; V743-Y761 PolarHBondContact N-O 3.06Å; R755-Y761 PolarHBondContact NH1-OH 3.02Å; R755-Y761 PolarHBondContact NH2-OH 3.47Å
762	L	93.9	Very high	92.6	Very high	1 Å²	1	65.9 Å²	65.9	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	140.7	169.9	-69.2	177	0	0	0	110.6	V743 N744 R754 D756 N760 C766	V743-L762 HydrophobicContact CG2-CD2 3.68Å; V743-L762 HydrophobicContact CG2-CG 4.46Å; N744-L762 HydrophobicContact CB-CD2 3.73Å; R754-L762 HydrophobicContact CB-CB 4.3Å; R754-L762 PolarHBondContact N-O 3.15Å; R754-L762 PolarHBondContact O-N 2.92Å; D756-L762 HydrophobicContact CB-CD1 4.1Å; N760-L762 PolarHBondContact O-N 3.09Å; L762-C766 HydrophobicContact CD2-CB 4.29Å
763	C	96.3	Very high	92.6	Very high	6 Å²	6	65.6 Å²	65.6	4%	0.041	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	158.6	169.6	82.1	0	0	0	0	110.3	C742 A747 T750 A765 C766 G767	C742-C763 HydrophobicContact CB-CB 3.82Å; C742-C763 PolarHBondContact SG-N 2.74Å; A747-C763 HydrophobicContact CB-CB 4.2Å; T750-C763 HydrophobicContact CG2-CB 4.19Å; T750-C763 WeakPolarHBondContact OG1-CB 3.44Å; C763-A765 PolarHBondContact O-N 2.96Å; C763-A765 VanDerWaalsContact O-N 3.09Å; C763-C766 PolarHBondContact O-N 2.96Å; C763-C766 PolarHBondContact SG-SG 2.88Å; C763-G767 PolarHBondContact O-N 3.47Å
764	N	95	Very high	92.2	Very high	39 Å²	39	66.7 Å²	66.7	21%	0.209	36%	0.363	C	S	.	.	H	α-helix	trans	-50.9	-42.1	-176.2	-171.8	39.9	0	0	0	112.9	T750 P751 L752 R754 L768	T750-N764 PolarHBondContact OG1-N 3.22Å; P751-N764 HydrophobicContact CG-CB 4.36Å; L752-N764 HydrophobicContact CB-CB 4.05Å; L752-N764 WeakPolarHBondContact O-CA 3.41Å; L752-N764 WeakPolarHBondContact O-CB 3.37Å; L752-N764 PolarHBondContact O-N 3.45Å; R754-N764 PolarHBondContact NE-OD1 2.83Å; R754-N764 PolarHBondContact NH2-OD1 3.37Å; N764-L768 VanDerWaalsContact O-CB 3.22Å; N764-L768 WeakPolarHBondContact O-CB 3.41Å; N764-L768 WeakPolarHBondContact O-CD1 3.4Å; N764-L768 WeakPolarHBondContact O-CG 3.36Å; N764-L768 PolarHBondContact O-N 2.95Å
765	A	93.6	Very high	92.1	Very high	45 Å²	45	69.4 Å²	69.4	37%	0.372	38%	0.379	S	S	.	.	H	α-helix	trans	-68	-35.7	-179.3	0	0	0	0	0	113.2	C763 Y769	C763-A765 PolarHBondContact O-N 2.96Å; C763-A765 VanDerWaalsContact O-N 3.09Å; A765-Y769 WeakPolarHBondContact O-CB 3.26Å; A765-Y769 PolarHBondContact O-N 3.45Å; A765-Y769 VanDerWaalsContact O-N 3.13Å
766	C	95.6	Very high	91.8	Very high	1 Å²	1	67.5 Å²	67.5	1%	0.007	38%	0.379	C	S	.	.	H	α-helix	trans	-83.4	-39.5	-177.3	-59.4	0	0	0	0	111.8	N744 C745 L762 C763 L768 Y769 Q770	N744-C766 HydrophobicContact CB-CB 3.92Å; N744-C766 PolarHBondContact OD1-SG 3.39Å; C745-C766 PolarHBondContact SG-SG 3.19Å; L762-C766 HydrophobicContact CD2-CB 4.29Å; C763-C766 PolarHBondContact O-N 2.96Å; C763-C766 PolarHBondContact SG-SG 2.88Å; C766-L768 VanDerWaalsContact C-N 3.33Å; C766-Y769 PolarHBondContact O-N 3.27Å; C766-Q770 WeakPolarHBondContact O-CB 3.49Å; C766-Q770 PolarHBondContact O-N 3.22Å
767	G	94.3	Very high	91.9	Very high	6 Å²	6	71.2 Å²	71.2	6%	0.062	39%	0.392	C	S	.	.	H	α-helix	trans	-71	-25.3	173	0	0	0	0	0	113.7	C763 K771	C763-G767 PolarHBondContact O-N 3.47Å; G767-K771 WeakPolarHBondContact O-CB 3.34Å; G767-K771 PolarHBondContact O-N 3.06Å
768	L	93.5	Very high	91.9	Very high	66 Å²	66	71 Å²	71	35%	0.346	38%	0.375	S	S	.	.	H	α-helix	trans	-70.2	-45.3	166.9	-79.1	171.9	0	0	0	111.6	N764 C766 K771 M772	N764-L768 VanDerWaalsContact O-CB 3.22Å; N764-L768 WeakPolarHBondContact O-CB 3.41Å; N764-L768 WeakPolarHBondContact O-CD1 3.4Å; N764-L768 WeakPolarHBondContact O-CG 3.36Å; N764-L768 PolarHBondContact O-N 2.95Å; C766-L768 VanDerWaalsContact C-N 3.33Å; L768-K771 PolarHBondContact O-N 3.4Å; L768-M772 HydrophobicContact CB-CE 3.93Å; L768-M772 VanDerWaalsContact O-CE 3.27Å; L768-M772 WeakPolarHBondContact O-CE 3.42Å; L768-M772 PolarHBondContact O-N 3.02Å
769	Y	95.1	Very high	91.7	Very high	62 Å²	62	68.1 Å²	68.1	24%	0.243	36%	0.364	C	S	.	.	H	α-helix	trans	-61.5	-48	178.1	-168.3	-80.3	0	0	0	111.4	A765 C766 K771 M772 N773 Q775 R777 P778	A765-Y769 WeakPolarHBondContact O-CB 3.26Å; A765-Y769 PolarHBondContact O-N 3.45Å; A765-Y769 VanDerWaalsContact O-N 3.13Å; C766-Y769 PolarHBondContact O-N 3.27Å; Y769-K771 VanDerWaalsContact C-N 3.29Å; Y769-K771 PolarHBondContact O-N 2.82Å; Y769-M772 PolarHBondContact O-N 3.32Å; Y769-M772 VanDerWaalsContact O-N 3.13Å; Y769-N773 HydrophobicContact CD1-CB 4.03Å; Y769-N773 WeakPolarHBondContact CD2-OD1 3.49Å; Y769-N773 HydrophobicContact CE1-CB 3.65Å; Y769-N773 WeakPolarHBondContact CE2-OD1 3.12Å; Y769-N773 VanDerWaalsContact CZ-OD1 3.28Å; Y769-N773 WeakPolarHBondContact O-CB 3.38Å; Y769-N773 PolarHBondContact O-N 3.05Å; Y769-Q775 WeakPolarHBondContact CD1-O 3.34Å; Y769-R777 HydrophobicContact CD1-CB 3.77Å; Y769-R777 HydrophobicContact CD1-CG 4.15Å; Y769-R777 HydrophobicContact CD2-CB 4.46Å; Y769-R777 HydrophobicContact CD2-CG 3.96Å; Y769-R777 HydrophobicContact CE1-CB 4.43Å; Y769-R777 HydrophobicContact CE2-CG 4.48Å; Y769-R777 HydrophobicContact CG-CB 3.79Å; Y769-R777 HydrophobicContact CG-CG 3.78Å; Y769-P778 VanDerWaalsContact CE1-CD 3.45Å; Y769-P778 WeakPolarHBondContact OH-CD 3.32Å
770	Q	92.4	Very high	91	Very high	51 Å²	51	74 Å²	74	24%	0.238	39%	0.387	C	S	.	.	H	α-helix	trans	-55.8	-42.6	175	-170.9	-170.2	46.9	0	0	111.8	C766 G774 Q775	C766-Q770 WeakPolarHBondContact O-CB 3.49Å; C766-Q770 PolarHBondContact O-N 3.22Å; Q770-G774 VanDerWaalsContact O-CA 3.25Å; Q770-G774 WeakPolarHBondContact O-CA 3.48Å; Q770-G774 PolarHBondContact O-N 2.87Å; Q770-Q775 WeakPolarHBondContact CA-O 3.43Å
771	K	92.1	Very high	89.5	Confident	181 Å²	181	80.1 Å²	80.1	79%	0.787	41%	0.41	S	S	*	.	H	α-helix	trans	-68.7	-34	177.5	-177.8	165.1	-178.8	168.5	0	113.7	G767 L768 Y769	G767-K771 WeakPolarHBondContact O-CB 3.34Å; G767-K771 PolarHBondContact O-N 3.06Å; L768-K771 PolarHBondContact O-N 3.4Å; Y769-K771 VanDerWaalsContact C-N 3.29Å; Y769-K771 PolarHBondContact O-N 2.82Å
772	M	89.5	Confident	87.6	Confident	133 Å²	133	79.8 Å²	79.8	66%	0.655	42%	0.418	S	S	*	.	H	α-helix	trans	-91.8	-29.8	-175.6	80.7	-177	74.4	0	0	114.2	L768 Y769	L768-M772 HydrophobicContact CB-CE 3.93Å; L768-M772 VanDerWaalsContact O-CE 3.27Å; L768-M772 WeakPolarHBondContact O-CE 3.42Å; L768-M772 PolarHBondContact O-N 3.02Å; Y769-M772 PolarHBondContact O-N 3.32Å; Y769-M772 VanDerWaalsContact O-N 3.13Å
773	N	91.6	Very high	85.5	Confident	80 Å²	80	88.7 Å²	88.7	43%	0.428	46%	0.457	S	S	.	.	H	α-helix	trans	-105.4	-9.2	-178.9	-68	102.4	0	0	0	113.5	Y769 Q775	Y769-N773 HydrophobicContact CD1-CB 4.03Å; Y769-N773 WeakPolarHBondContact CD2-OD1 3.49Å; Y769-N773 HydrophobicContact CE1-CB 3.65Å; Y769-N773 WeakPolarHBondContact CE2-OD1 3.12Å; Y769-N773 VanDerWaalsContact CZ-OD1 3.28Å; Y769-N773 WeakPolarHBondContact O-CB 3.38Å; Y769-N773 PolarHBondContact O-N 3.05Å; N773-Q775 PolarHBondContact O-N 2.58Å
774	G	88	Confident	83.2	Confident	66 Å²	66	98 Å²	98	68%	0.68	49%	0.491	S	S	*	.	S	Bend	trans	68.7	-4.4	-172.7	0	0	0	0	0	114.7	Q770	Q770-G774 VanDerWaalsContact O-CA 3.25Å; Q770-G774 WeakPolarHBondContact O-CA 3.48Å; Q770-G774 PolarHBondContact O-N 2.87Å
775	Q	89.9	Confident	81.1	Confident	137 Å²	137	105.9 Å²	105.9	64%	0.64	52%	0.517	S	S	*	.	S	Bend	trans	-120.6	158.5	-173	-68.9	-173.9	-18.4	0	0	112.1	Y769 Q770 N773	Y769-Q775 WeakPolarHBondContact CD1-O 3.34Å; Q770-Q775 WeakPolarHBondContact CA-O 3.43Å; N773-Q775 PolarHBondContact O-N 2.58Å
776	N	88.5	Confident	79.2	Confident	103 Å²	103	111.3 Å²	111.3	55%	0.551	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-59.9	140	170.2	-101.5	-57.6	0	0	0	110.7	N744	N744-N776 PolarHBondContact ND2-OD1 3.34Å
777	R	91.1	Very high	77	Confident	103 Å²	103	116.1 Å²	116.1	39%	0.389	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-60.1	126	179.4	-171.4	-178.5	-179.5	-149	0.5	110	N744 Y769 L779	N744-R777 PolarHBondContact ND2-N 3.16Å; N744-R777 VanDerWaalsContact ND2-N 3.14Å; N744-R777 PolarHBondContact ND2-O 3.28Å; Y769-R777 HydrophobicContact CD1-CB 3.77Å; Y769-R777 HydrophobicContact CD1-CG 4.15Å; Y769-R777 HydrophobicContact CD2-CB 4.46Å; Y769-R777 HydrophobicContact CD2-CG 3.96Å; Y769-R777 HydrophobicContact CE1-CB 4.43Å; Y769-R777 HydrophobicContact CE2-CG 4.48Å; Y769-R777 HydrophobicContact CG-CB 3.79Å; Y769-R777 HydrophobicContact CG-CG 3.78Å; R777-L779 PolarHBondContact O-N 3.35Å
778	P	87.6	Confident	74.8	Confident	80 Å²	80	119.6 Å²	119.6	52%	0.519	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-67.9	121.8	-179.4	25.7	-33.1	0	0	0	110.1	Y769 I780	Y769-P778 VanDerWaalsContact CE1-CD 3.45Å; Y769-P778 WeakPolarHBondContact OH-CD 3.32Å; P778-I780 PolarHBondContact O-N 3.19Å; P778-I780 VanDerWaalsContact O-N 3.12Å
779	L	82.3	Confident	72.8	Confident	90 Å²	90	121.2 Å²	121.2	47%	0.471	60%	0.602	S	S	.	*			trans	-90	77.5	-172.9	-67.2	142	0	0	0	109.8	N744 C745 R777 K781	N744-L779 WeakPolarHBondContact O-CD1 3.44Å; N744-L779 VanDerWaalsContact O-CD2 3.22Å; N744-L779 WeakPolarHBondContact O-CD2 3.43Å; C745-L779 HydrophobicContact CB-CD2 3.61Å; R777-L779 PolarHBondContact O-N 3.35Å; L779-K781 VanDerWaalsContact C-N 3.28Å; L779-K781 PolarHBondContact O-N 3.23Å
780	I	74.3	Confident	70.6	Confident	154 Å²	154	122.3 Å²	122.3	79%	0.79	62%	0.619	S	S	*	*			trans	-58.2	97.3	163.8	-56.6	175.4	0	0	0	106.7	P778 P782	P778-I780 PolarHBondContact O-N 3.19Å; P778-I780 VanDerWaalsContact O-N 3.12Å; I780-P782 WeakPolarHBondContact O-CD 3.49Å; I780-P782 WeakPolarHBondContact O-CG 3.44Å
781	K	60.5	Low	68.6	Low	196 Å²	196	128 Å²	128	85%	0.852	64%	0.638	S	S	*	*			trans	-45.9	104.4	-161.4	-71.8	178.3	179.7	174	0	111	L779 K783	L779-K781 VanDerWaalsContact C-N 3.28Å; L779-K781 PolarHBondContact O-N 3.23Å; K781-K783 PolarHBondContact O-N 2.96Å
782	P	54.4	Low	66.9	Low	75 Å²	75	125 Å²	125	49%	0.487	62%	0.622	S	S	.	*			trans	-72.4	102.8	-171.2	-18.9	32.2	0	0	0	110.9	I780 R784 R785	I780-P782 WeakPolarHBondContact O-CD 3.49Å; I780-P782 WeakPolarHBondContact O-CG 3.44Å; P782-R784 PolarHBondContact O-N 3.41Å; P782-R785 HydrophobicContact CB-CG 3.72Å
783	K	50.4	Low	65.5	Low	189 Å²	189	124.7 Å²	124.7	82%	0.822	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49	96.2	176.4	-172.3	169.8	-175.5	169.2	0	110.3	K781 R785	K781-K783 PolarHBondContact O-N 2.96Å; K783-R785 PolarHBondContact O-N 2.74Å
784	R	48.3	Very low	65.1	Low	202 Å²	202	124.3 Å²	124.3	76%	0.762	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	4.1	92.7	-166.1	-69.1	-176.8	175	122.9	-1	114.4	P782 L786 Q787	P782-R784 PolarHBondContact O-N 3.41Å; R784-L786 PolarHBondContact O-N 3.3Å; R784-Q787 PolarHBondContact O-N 3.24Å
785	R	49.4	Very low	65.3	Low	203 Å²	203	123 Å²	123	77%	0.766	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	6.9	-174.5	-70	-173	79.7	129.9	-0.1	116.3	P782 K783	P782-R785 HydrophobicContact CB-CG 3.72Å; K783-R785 PolarHBondContact O-N 2.74Å
786	L	54.3	Low	65.5	Low	160 Å²	160	120.7 Å²	120.7	84%	0.838	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-8.5	170.4	-75.3	75.7	0	0	0	113.1	R784	R784-L786 PolarHBondContact O-N 3.3Å
787	Q	49.2	Very low	65.9	Low	101 Å²	101	115.8 Å²	115.8	47%	0.472	59%	0.587	S	S	.	*	S	Bend	trans	-115	21.4	-172.7	-71.7	-174.5	-25.9	0	0	115.8	R784 R791	R784-Q787 PolarHBondContact O-N 3.24Å; Q787-R791 PolarHBondContact O-NE 3.23Å
788	S	48	Very low	66.1	Low	79 Å²	79	113.2 Å²	113.2	55%	0.552	58%	0.584	S	S	*	*	S	Bend	trans	-99.3	-12.8	171.2	59.7	0	0	0	0	114.2	R792	S788-R792 WeakPolarHBondContact O-CD 3.03Å
789	S	51.9	Low	66.4	Low	101 Å²	101	110.5 Å²	110.5	71%	0.706	57%	0.565	S	S	*	*	S	Bend	trans	-85.2	-41.7	167.4	-168.9	0	0	0	0	110.9	R791	S789-R791 VanDerWaalsContact C-N 3.29Å; S789-R791 PolarHBondContact O-N 3.16Å
790	S	49.4	Very low	67.1	Low	85 Å²	85	106.6 Å²	106.6	59%	0.594	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-3.4	-178.9	-168.2	0	0	0	0	115.9
791	R	50.3	Low	68	Low	169 Å²	169	108.9 Å²	108.9	64%	0.638	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.9	36.5	175.6	-76.1	-167.9	-74.9	-163.7	-13.5	112.6	Q787 S789	Q787-R791 PolarHBondContact O-NE 3.23Å; S789-R791 VanDerWaalsContact C-N 3.29Å; S789-R791 PolarHBondContact O-N 3.16Å
792	R	56.8	Low	69.6	Low	119 Å²	119	100.5 Å²	100.5	45%	0.449	51%	0.509	S	S	.	.			trans	-125.3	5.5	173.3	-72.7	174.9	167.1	173	-2.7	112.8	S788 G794 T795	S788-R792 WeakPolarHBondContact O-CD 3.03Å; R792-G794 PolarHBondContact O-N 3.19Å; R792-T795 PolarHBondContact O-N 2.88Å; R792-T795 PolarHBondContact O-OG1 3.33Å
793	T	60.3	Low	71.4	Confident	126 Å²	126	102.5 Å²	102.5	77%	0.773	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	117.8	165	44.5	0	0	0	0	109
794	G	83.3	Confident	73.4	Confident	72 Å²	72	97 Å²	97	74%	0.742	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.7	-3.2	-175.1	0	0	0	0	0	116.2	R792 I796	R792-G794 PolarHBondContact O-N 3.19Å; G794-I796 PolarHBondContact O-N 3.36Å
795	T	90.5	Very high	75.5	Confident	38 Å²	38	88.9 Å²	88.9	23%	0.233	47%	0.47	C	S	.	.			trans	-76.8	120.1	169.5	-47.5	0	0	0	0	109.8	R792 W808 P816	R792-T795 PolarHBondContact O-N 2.88Å; R792-T795 PolarHBondContact O-OG1 3.33Å; T795-W808 HydrophobicContact CG2-CD2 3.67Å; T795-W808 HydrophobicContact CG2-CE3 3.75Å; T795-W808 HydrophobicContact CG2-CG 4.38Å; T795-W808 HydrophobicContact CG2-CH2 3.75Å; T795-W808 HydrophobicContact CG2-CZ2 3.66Å; T795-W808 HydrophobicContact CG2-CZ3 3.79Å; T795-W808 WeakPolarHBondContact O-CH2 3.47Å; T795-W808 VanDerWaalsContact O-CZ2 3.24Å; T795-W808 WeakPolarHBondContact O-CZ2 3.22Å; T795-P816 HydrophobicContact CG2-CB 3.8Å; T795-P816 HydrophobicContact CG2-CG 4.27Å
796	I	94.5	Very high	77.4	Confident	90 Å²	90	83.8 Å²	83.8	46%	0.462	46%	0.462	S	S	.	.			trans	-118.4	141.2	179.6	-64.1	167.8	0	0	0	108.3	G794 R801 I803	G794-I796 PolarHBondContact O-N 3.36Å; I796-R801 HydrophobicContact CG2-CB 4.24Å; I796-I803 HydrophobicContact CG1-CG2 3.77Å
797	C	96.5	Very high	79.3	Confident	0 Å²	0	79.9 Å²	79.9	0%	0	44%	0.441	C	S	.	.			trans	-74.6	121.7	174.1	175.1	0	0	0	0	111.3	N799 C800 R801 T802 W808 P816 C818	C797-N799 VanDerWaalsContact C-N 3.33Å; C797-N799 PolarHBondContact O-N 3.12Å; C797-C800 PolarHBondContact SG-N 2.97Å; C797-C800 VanDerWaalsContact SG-N 3.43Å; C797-R801 WeakPolarHBondContact O-CA 3.37Å; C797-R801 PolarHBondContact O-N 3.47Å; C797-T802 PolarHBondContact N-O 3.36Å; C797-W808 HydrophobicContact CB-CH2 4.46Å; C797-W808 HydrophobicContact CB-CZ3 3.99Å; C797-P816 WeakPolarHBondContact CA-O 3.37Å; C797-C818 HydrophobicContact CB-CB 3.98Å; C797-C818 PolarHBondContact SG-N 3.07Å
798	S	95.8	Very high	81.5	Confident	48 Å²	48	76.9 Å²	76.9	34%	0.336	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-41.4	-179.1	63.1	0	0	0	0	113.3	E815 P816 V817	S798-E815 WeakPolarHBondContact CB-OE2 3.48Å; S798-E815 PolarHBondContact OG-OE2 2.9Å; S798-P816 PolarHBondContact N-O 3.44Å; S798-V817 WeakPolarHBondContact OG-CG1 3.42Å
799	N	95.1	Very high	83.7	Confident	24 Å²	24	77 Å²	77	13%	0.128	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-70.8	173.9	172.3	-85.8	0	0	0	113.8	C797 C821 Q831 R832	C797-N799 VanDerWaalsContact C-N 3.33Å; C797-N799 PolarHBondContact O-N 3.12Å; N799-C821 HydrophobicContact CB-CB 4.07Å; N799-C821 PolarHBondContact OD1-SG 3.45Å; N799-Q831 PolarHBondContact ND2-OE1 3.29Å; N799-R832 PolarHBondContact ND2-N 2.82Å; N799-R832 PolarHBondContact ND2-O 3.35Å; N799-R832 PolarHBondContact OD1-O 3.17Å
800	C	95.4	Very high	85.7	Confident	7 Å²	7	81.4 Å²	81.4	5%	0.047	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	10.4	-167.9	74	0	0	0	0	115.5	C797 T802 C818 C821 K837	C797-C800 PolarHBondContact SG-N 2.97Å; C797-C800 VanDerWaalsContact SG-N 3.43Å; C800-T802 PolarHBondContact O-N 3.43Å; C800-T802 PolarHBondContact O-OG1 3.05Å; C800-T802 VanDerWaalsContact O-OG1 3.06Å; C800-T802 PolarHBondContact SG-OG1 2.98Å; C800-C818 VanDerWaalsContact SG-SG 3.65Å; C800-C821 PolarHBondContact SG-SG 3.49Å; C800-K837 HydrophobicContact CB-CD 4.41Å
801	R	94.5	Very high	87.8	Confident	202 Å²	202	78.6 Å²	78.6	76%	0.762	39%	0.393	S	S	*	.			trans	50.8	14.5	-179.3	-58	-172.6	-178.8	-167.1	0.3	116.4	I796 C797	I796-R801 HydrophobicContact CG2-CB 4.24Å; C797-R801 WeakPolarHBondContact O-CA 3.37Å; C797-R801 PolarHBondContact O-N 3.47Å
802	T	92.8	Very high	89.8	Confident	21 Å²	21	75.8 Å²	75.8	13%	0.129	40%	0.395	C	S	.	.			trans	-81.4	128.6	-176.5	-53.9	0	0	0	0	110.6	C797 C800 T804 W808 K837	C797-T802 PolarHBondContact N-O 3.36Å; C800-T802 PolarHBondContact O-N 3.43Å; C800-T802 PolarHBondContact O-OG1 3.05Å; C800-T802 VanDerWaalsContact O-OG1 3.06Å; C800-T802 PolarHBondContact SG-OG1 2.98Å; T802-T804 WeakPolarHBondContact CG2-O 3.35Å; T802-W808 WeakPolarHBondContact O-CH2 3.18Å; T802-K837 VanDerWaalsContact OG1-CE 3.28Å; T802-K837 WeakPolarHBondContact OG1-CE 3.12Å
803	I	93.5	Very high	91.5	Very high	116 Å²	116	76.2 Å²	76.2	60%	0.595	41%	0.406	S	S	*	.	S	Bend	trans	-83.4	-18.2	179.2	49.9	164.3	0	0	0	114.2	I796 W808	I796-I803 HydrophobicContact CG1-CG2 3.77Å; I803-W808 WeakPolarHBondContact O-CZ2 3.36Å
804	T	91	Very high	93	Very high	74 Å²	74	71.7 Å²	71.7	45%	0.454	38%	0.384	S	S	.	.			trans	-107.2	129.8	-178.4	48.9	0	0	0	0	110.8	T802	T802-T804 WeakPolarHBondContact CG2-O 3.35Å
805	T	92.3	Very high	93.5	Very high	31 Å²	31	72.2 Å²	72.2	19%	0.19	37%	0.367	C	S	.	.			trans	-158	152	175.9	-164.4	0	0	0	0	112.9	L807 W808 C818 N819	T805-L807 VanDerWaalsContact C-N 3.26Å; T805-L807 VanDerWaalsContact CG2-C 3.5Å; T805-L807 WeakPolarHBondContact CG2-O 3.41Å; T805-L807 PolarHBondContact O-N 3.14Å; T805-L807 PolarHBondContact OG1-O 3.33Å; T805-W808 HydrophobicContact CG2-CD2 3.53Å; T805-W808 HydrophobicContact CG2-CE3 4.05Å; T805-W808 HydrophobicContact CG2-CG 3.77Å; T805-W808 HydrophobicContact CG2-CH2 4.48Å; T805-W808 HydrophobicContact CG2-CZ2 4.02Å; T805-W808 HydrophobicContact CG2-CZ3 4.49Å; T805-C818 HydrophobicContact CG2-CB 4.32Å; T805-C818 WeakPolarHBondContact OG1-CB 3.3Å; T805-N819 PolarHBondContact OG1-N 3.14Å
806	T	90.7	Very high	93.7	Very high	97 Å²	97	72.9 Å²	72.9	60%	0.595	37%	0.372	S	S	*	.	S	Bend	trans	-68.6	-26	175.7	61.8	0	0	0	0	112.8	N819 I841	T806-N819 PolarHBondContact OG1-ND2 3.05Å; T806-I841 HydrophobicContact CG2-CG2 3.57Å
807	L	93.4	Very high	93.8	Very high	77 Å²	77	68.7 Å²	68.7	40%	0.403	35%	0.351	S	S	.	.			trans	-157.2	128.1	179.5	175.1	63.4	0	0	0	109.2	T805 R809 N819	T805-L807 VanDerWaalsContact C-N 3.26Å; T805-L807 VanDerWaalsContact CG2-C 3.5Å; T805-L807 WeakPolarHBondContact CG2-O 3.41Å; T805-L807 PolarHBondContact O-N 3.14Å; T805-L807 PolarHBondContact OG1-O 3.33Å; L807-R809 HydrophobicContact CD2-CG 4.43Å; L807-R809 HydrophobicContact CG-CG 4.44Å; L807-N819 HydrophobicContact CB-CB 4.05Å; L807-N819 WeakPolarHBondContact O-CA 3.36Å; L807-N819 WeakPolarHBondContact O-CB 3.39Å; L807-N819 PolarHBondContact O-N 3.37Å
808	W	94.9	Very high	93.8	Very high	38 Å²	38	69.1 Å²	69.1	14%	0.144	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	131	165.9	-70.5	103.1	0	0	0	109.5	T795 C797 T802 I803 T805 P816	T795-W808 HydrophobicContact CG2-CD2 3.67Å; T795-W808 HydrophobicContact CG2-CE3 3.75Å; T795-W808 HydrophobicContact CG2-CG 4.38Å; T795-W808 HydrophobicContact CG2-CH2 3.75Å; T795-W808 HydrophobicContact CG2-CZ2 3.66Å; T795-W808 HydrophobicContact CG2-CZ3 3.79Å; T795-W808 WeakPolarHBondContact O-CH2 3.47Å; T795-W808 VanDerWaalsContact O-CZ2 3.24Å; T795-W808 WeakPolarHBondContact O-CZ2 3.22Å; C797-W808 HydrophobicContact CB-CH2 4.46Å; C797-W808 HydrophobicContact CB-CZ3 3.99Å; T802-W808 WeakPolarHBondContact O-CH2 3.18Å; I803-W808 WeakPolarHBondContact O-CZ2 3.36Å; T805-W808 HydrophobicContact CG2-CD2 3.53Å; T805-W808 HydrophobicContact CG2-CE3 4.05Å; T805-W808 HydrophobicContact CG2-CG 3.77Å; T805-W808 HydrophobicContact CG2-CH2 4.48Å; T805-W808 HydrophobicContact CG2-CZ2 4.02Å; T805-W808 HydrophobicContact CG2-CZ3 4.49Å; W808-P816 HydrophobicContact CE3-CB 4.15Å; W808-P816 HydrophobicContact CZ3-CB 4.39Å
809	R	94.6	Very high	93.8	Very high	83 Å²	83	68.4 Å²	68.4	31%	0.313	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	173	172.7	-66.6	177.3	177	-85	-7.9	108.9	L807 V817 N819	L807-R809 HydrophobicContact CD2-CG 4.43Å; L807-R809 HydrophobicContact CG-CG 4.44Å; R809-V817 HydrophobicContact CB-CG2 3.86Å; R809-V817 PolarHBondContact N-O 3.07Å; R809-V817 PolarHBondContact O-N 2.88Å; R809-N819 PolarHBondContact NE-OD1 3.17Å; R809-N819 PolarHBondContact NH2-OD1 3.36Å
810	R	94.7	Very high	93.8	Very high	193 Å²	193	69.3 Å²	69.3	73%	0.728	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	151.5	162.5	-64.9	-178.4	-175.1	-93.5	9.1	110	G814 E815	R810-G814 WeakPolarHBondContact CD-O 3.42Å; R810-G814 WeakPolarHBondContact CG-O 3.3Å; R810-G814 PolarHBondContact NH1-O 3.26Å; R810-E815 WeakPolarHBondContact CA-O 3.35Å
811	N	92.8	Very high	93.9	Very high	25 Å²	25	69.1 Å²	69.1	13%	0.134	36%	0.356	C	S	.	.			trans	-84.7	-178.4	163	64.9	4.2	0	0	0	110.5	N813 G814 E815 V817	N811-N813 PolarHBondContact O-N 3.06Å; N811-N813 WeakPolarHBondContact OD1-CA 3.27Å; N811-N813 PolarHBondContact OD1-N 2.81Å; N811-N813 VanDerWaalsContact OD1-N 3.14Å; N811-G814 PolarHBondContact O-N 2.92Å; N811-G814 PolarHBondContact OD1-N 3.14Å; N811-G814 VanDerWaalsContact OD1-N 3.12Å; N811-E815 PolarHBondContact N-O 2.96Å; N811-E815 VanDerWaalsContact N-O 3.13Å; N811-E815 PolarHBondContact ND2-OE2 2.99Å; N811-E815 WeakPolarHBondContact OD1-CB 3.16Å; N811-E815 PolarHBondContact OD1-N 3.27Å; N811-V817 HydrophobicContact CB-CG1 4.11Å
812	T	92.1	Very high	94	Very high	111 Å²	111	60.1 Å²	60.1	68%	0.681	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-35.3	172.6	40.1	0	0	0	0	112.9	G814 F825	T812-G814 PolarHBondContact O-N 2.9Å; T812-F825 HydrophobicContact CG2-CE1 4.28Å
813	N	92.5	Very high	94.1	Very high	128 Å²	128	62.9 Å²	62.9	68%	0.684	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	4.3	-177.5	-52.9	34.3	0	0	0	112.2	N811 E815	N811-N813 PolarHBondContact O-N 3.06Å; N811-N813 WeakPolarHBondContact OD1-CA 3.27Å; N811-N813 PolarHBondContact OD1-N 2.81Å; N811-N813 VanDerWaalsContact OD1-N 3.14Å; N813-E815 VanDerWaalsContact C-N 3.27Å; N813-E815 HydrophobicContact CB-CG 4.26Å; N813-E815 PolarHBondContact O-N 3.41Å
814	G	92.1	Very high	94.3	Very high	30 Å²	30	59.2 Å²	59.2	31%	0.309	32%	0.319	S	S	.	.	S	Bend	trans	79.9	-7.3	179.8	0	0	0	0	0	115.6	R810 N811 T812	R810-G814 WeakPolarHBondContact CD-O 3.42Å; R810-G814 WeakPolarHBondContact CG-O 3.3Å; R810-G814 PolarHBondContact NH1-O 3.26Å; N811-G814 PolarHBondContact O-N 2.92Å; N811-G814 PolarHBondContact OD1-N 3.14Å; N811-G814 VanDerWaalsContact OD1-N 3.12Å; T812-G814 PolarHBondContact O-N 2.9Å
815	E	93.5	Very high	94.5	Very high	83 Å²	83	58.6 Å²	58.6	39%	0.388	31%	0.31	S	S	.	.			trans	-66.6	149.8	-177.5	-53.6	-178.9	125.2	0	0	113	S798 R810 N811 N813 V817	S798-E815 WeakPolarHBondContact CB-OE2 3.48Å; S798-E815 PolarHBondContact OG-OE2 2.9Å; R810-E815 WeakPolarHBondContact CA-O 3.35Å; N811-E815 PolarHBondContact N-O 2.96Å; N811-E815 VanDerWaalsContact N-O 3.13Å; N811-E815 PolarHBondContact ND2-OE2 2.99Å; N811-E815 WeakPolarHBondContact OD1-CB 3.16Å; N811-E815 PolarHBondContact OD1-N 3.27Å; N813-E815 VanDerWaalsContact C-N 3.27Å; N813-E815 HydrophobicContact CB-CG 4.26Å; N813-E815 PolarHBondContact O-N 3.41Å; E815-V817 PolarHBondContact O-N 2.89Å
816	P	95.7	Very high	94.7	Very high	52 Å²	52	65.2 Å²	65.2	34%	0.338	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	124.1	172.7	28.5	-33.9	0	0	0	112.1	T795 C797 S798 W808	T795-P816 HydrophobicContact CG2-CB 3.8Å; T795-P816 HydrophobicContact CG2-CG 4.27Å; C797-P816 WeakPolarHBondContact CA-O 3.37Å; S798-P816 PolarHBondContact N-O 3.44Å; W808-P816 HydrophobicContact CE3-CB 4.15Å; W808-P816 HydrophobicContact CZ3-CB 4.39Å
817	V	96.2	Very high	94.9	Very high	3 Å²	3	66.9 Å²	66.9	2%	0.018	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	149.4	169.9	-58.8	0	0	0	0	111.2	S798 R809 N811 E815 C821	S798-V817 WeakPolarHBondContact OG-CG1 3.42Å; R809-V817 HydrophobicContact CB-CG2 3.86Å; R809-V817 PolarHBondContact N-O 3.07Å; R809-V817 PolarHBondContact O-N 2.88Å; N811-V817 HydrophobicContact CB-CG1 4.11Å; E815-V817 PolarHBondContact O-N 2.89Å; V817-C821 HydrophobicContact CB-CB 4.31Å
818	C	96.4	Very high	95	Very high	8 Å²	8	67.9 Å²	67.9	5%	0.054	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	161.2	178.4	92.7	0	0	0	0	111.1	C797 C800 T805 A820 C821 G822	C797-C818 HydrophobicContact CB-CB 3.98Å; C797-C818 PolarHBondContact SG-N 3.07Å; C800-C818 VanDerWaalsContact SG-SG 3.65Å; T805-C818 HydrophobicContact CG2-CB 4.32Å; T805-C818 WeakPolarHBondContact OG1-CB 3.3Å; C818-A820 PolarHBondContact O-N 3.32Å; C818-C821 PolarHBondContact O-N 3.43Å; C818-C821 VanDerWaalsContact O-N 3.15Å; C818-C821 PolarHBondContact SG-SG 3.14Å; C818-G822 PolarHBondContact O-N 3.33Å
819	N	96.1	Very high	94.9	Very high	34 Å²	34	72.2 Å²	72.2	18%	0.182	37%	0.369	C	S	.	.	H	α-helix	trans	-55	-38.9	-177.8	-171.1	39.7	0	0	0	112.9	T805 T806 L807 R809 L823	T805-N819 PolarHBondContact OG1-N 3.14Å; T806-N819 PolarHBondContact OG1-ND2 3.05Å; L807-N819 HydrophobicContact CB-CB 4.05Å; L807-N819 WeakPolarHBondContact O-CA 3.36Å; L807-N819 WeakPolarHBondContact O-CB 3.39Å; L807-N819 PolarHBondContact O-N 3.37Å; R809-N819 PolarHBondContact NE-OD1 3.17Å; R809-N819 PolarHBondContact NH2-OD1 3.36Å; N819-L823 VanDerWaalsContact O-CB 3.25Å; N819-L823 WeakPolarHBondContact O-CB 3.46Å; N819-L823 WeakPolarHBondContact O-CD1 3.39Å; N819-L823 WeakPolarHBondContact O-CG 3.2Å; N819-L823 PolarHBondContact O-N 3.42Å; N819-L823 WeakPolarHBondContact OD1-CD1 3.49Å
820	A	95.2	Very high	94.9	Very high	43 Å²	43	73 Å²	73	36%	0.355	38%	0.378	S	S	.	.	H	α-helix	trans	-68.4	-40.7	-179.1	0	0	0	0	0	112.2	C818 Y824	C818-A820 PolarHBondContact O-N 3.32Å; A820-Y824 VanDerWaalsContact O-CB 3.29Å; A820-Y824 WeakPolarHBondContact O-CB 3.36Å; A820-Y824 PolarHBondContact O-N 3.03Å
821	C	96.8	Very high	94.9	Very high	2 Å²	2	68 Å²	68	1%	0.014	36%	0.363	C	S	.	.	H	α-helix	trans	-70.1	-48.2	179.9	-57.2	0	0	0	0	111.6	N799 C800 V817 C818 L823 Y824 F825 R832	N799-C821 HydrophobicContact CB-CB 4.07Å; N799-C821 PolarHBondContact OD1-SG 3.45Å; C800-C821 PolarHBondContact SG-SG 3.49Å; V817-C821 HydrophobicContact CB-CB 4.31Å; C818-C821 PolarHBondContact O-N 3.43Å; C818-C821 VanDerWaalsContact O-N 3.15Å; C818-C821 PolarHBondContact SG-SG 3.14Å; C821-L823 VanDerWaalsContact C-N 3.27Å; C821-L823 PolarHBondContact O-N 3.41Å; C821-Y824 PolarHBondContact O-N 3Å; C821-F825 WeakPolarHBondContact O-CB 2.6Å; C821-F825 PolarHBondContact O-N 3.4Å; C821-R832 HydrophobicContact CB-CB 4.4Å
822	G	96	Very high	95	Very high	13 Å²	13	68.6 Å²	68.6	13%	0.134	36%	0.363	C	S	.	.	H	α-helix	trans	-69.4	-20.6	177.7	0	0	0	0	0	114.2	C818 K826	C818-G822 PolarHBondContact O-N 3.33Å; G822-K826 WeakPolarHBondContact O-CB 3.41Å; G822-K826 PolarHBondContact O-N 3.12Å
823	L	95.4	Very high	95.2	Very high	80 Å²	80	65.5 Å²	65.5	42%	0.419	35%	0.345	S	S	.	.	H	α-helix	trans	-80	-41.5	168.8	-77.8	172.8	0	0	0	112.3	N819 C821 K826 L827	N819-L823 VanDerWaalsContact O-CB 3.25Å; N819-L823 WeakPolarHBondContact O-CB 3.46Å; N819-L823 WeakPolarHBondContact O-CD1 3.39Å; N819-L823 WeakPolarHBondContact O-CG 3.2Å; N819-L823 PolarHBondContact O-N 3.42Å; N819-L823 WeakPolarHBondContact OD1-CD1 3.49Å; C821-L823 VanDerWaalsContact C-N 3.27Å; C821-L823 PolarHBondContact O-N 3.41Å; L823-K826 PolarHBondContact O-N 2.74Å; L823-L827 WeakPolarHBondContact O-CB 3.19Å; L823-L827 PolarHBondContact O-N 3.11Å
824	Y	97.1	Very high	95.2	Very high	39 Å²	39	64.5 Å²	64.5	15%	0.153	34%	0.339	C	S	.	.	H	α-helix	trans	-63.9	-46	178.5	-172.2	-86.6	0	0	0	111.3	A820 C821 K826 L827 H828 I830 R832 P833 M836	A820-Y824 VanDerWaalsContact O-CB 3.29Å; A820-Y824 WeakPolarHBondContact O-CB 3.36Å; A820-Y824 PolarHBondContact O-N 3.03Å; C821-Y824 PolarHBondContact O-N 3Å; Y824-K826 VanDerWaalsContact C-N 3.31Å; Y824-K826 PolarHBondContact O-N 2.77Å; Y824-L827 PolarHBondContact O-N 2.77Å; Y824-H828 AromaticContact CD2-CD2 3.53Å; Y824-H828 AromaticContact CD2-NE2 3.96Å; Y824-H828 HydrophobicContact CE1-CB 4.35Å; Y824-H828 AromaticContact CE2-CD2 3.5Å; Y824-H828 VanDerWaalsContact CE2-CD2 3.5Å; Y824-H828 WeakPolarHBondContact CE2-CD2 3.33Å; Y824-H828 AromaticContact CE2-NE2 3.82Å; Y824-H828 AromaticContact CG-CD2 3.84Å; Y824-H828 AromaticContact CZ-CD2 3.8Å; Y824-H828 PolarHBondContact O-N 2.84Å; Y824-I830 HydrophobicContact CE1-CD1 3.9Å; Y824-I830 HydrophobicContact CE1-CG1 3.86Å; Y824-R832 HydrophobicContact CD1-CB 3.67Å; Y824-R832 HydrophobicContact CD1-CG 3.92Å; Y824-R832 HydrophobicContact CD2-CG 4.09Å; Y824-R832 HydrophobicContact CE1-CB 4.32Å; Y824-R832 HydrophobicContact CE1-CG 4.43Å; Y824-R832 HydrophobicContact CG-CB 3.88Å; Y824-R832 HydrophobicContact CG-CG 3.7Å; Y824-P833 WeakPolarHBondContact OH-CD 3.23Å; Y824-M836 HydrophobicContact CD2-SD 4.46Å; Y824-M836 HydrophobicContact CE2-CE 4.01Å; Y824-M836 HydrophobicContact CE2-SD 3.6Å; Y824-M836 VanDerWaalsContact CE2-SD 3.6Å
825	F	96.5	Very high	95.3	Very high	61 Å²	61	68.5 Å²	68.5	27%	0.268	36%	0.362	S	S	.	.	H	α-helix	trans	-59.7	-39.4	174.3	-174.3	-98	0	0	0	112.2	T812 C821 L827 N829 I830	T812-F825 HydrophobicContact CG2-CE1 4.28Å; C821-F825 WeakPolarHBondContact O-CB 2.6Å; C821-F825 PolarHBondContact O-N 3.4Å; F825-L827 VanDerWaalsContact C-N 3.3Å; F825-L827 PolarHBondContact O-N 3.1Å; F825-N829 WeakPolarHBondContact CE2-O 3.46Å; F825-N829 WeakPolarHBondContact O-CA 3.44Å; F825-N829 PolarHBondContact O-N 3.16Å; F825-I830 WeakPolarHBondContact CA-O 2.99Å
826	K	95.2	Very high	95.1	Very high	170 Å²	170	69 Å²	69	74%	0.739	37%	0.366	S	S	*	.	H	α-helix	trans	-73.1	-16.4	175.3	-179.1	158.1	-179.2	154.1	0	114.1	G822 L823 Y824	G822-K826 WeakPolarHBondContact O-CB 3.41Å; G822-K826 PolarHBondContact O-N 3.12Å; L823-K826 PolarHBondContact O-N 2.74Å; Y824-K826 VanDerWaalsContact C-N 3.31Å; Y824-K826 PolarHBondContact O-N 2.77Å
827	L	95.4	Very high	94.9	Very high	131 Å²	131	70.1 Å²	70.1	69%	0.686	37%	0.365	S	S	*	.	H	α-helix	trans	-98.9	-28.3	-179.1	-175.9	59.9	0	0	0	113.3	L823 Y824 F825	L823-L827 WeakPolarHBondContact O-CB 3.19Å; L823-L827 PolarHBondContact O-N 3.11Å; Y824-L827 PolarHBondContact O-N 2.77Å; F825-L827 VanDerWaalsContact C-N 3.3Å; F825-L827 PolarHBondContact O-N 3.1Å
828	H	95.2	Very high	94.5	Very high	99 Å²	99	75.9 Å²	75.9	46%	0.458	39%	0.39	S	S	.	.	H	α-helix	trans	-126.1	-1.8	-172.9	-57.5	-72	0	0	0	113.9	Y824 I830	Y824-H828 AromaticContact CD2-CD2 3.53Å; Y824-H828 AromaticContact CD2-NE2 3.96Å; Y824-H828 HydrophobicContact CE1-CB 4.35Å; Y824-H828 AromaticContact CE2-CD2 3.5Å; Y824-H828 VanDerWaalsContact CE2-CD2 3.5Å; Y824-H828 WeakPolarHBondContact CE2-CD2 3.33Å; Y824-H828 AromaticContact CE2-NE2 3.82Å; Y824-H828 AromaticContact CG-CD2 3.84Å; Y824-H828 AromaticContact CZ-CD2 3.8Å; Y824-H828 PolarHBondContact O-N 2.84Å; H828-I830 HydrophobicContact CB-CD1 4.46Å; H828-I830 HydrophobicContact CB-CG1 3.72Å; H828-I830 PolarHBondContact O-N 3.05Å
829	N	94.6	Very high	93.9	Very high	128 Å²	128	81 Å²	81	68%	0.684	42%	0.416	S	S	*	.	S	Bend	trans	55.4	-6	-172.1	-74.1	32.3	0	0	0	116.7	F825	F825-N829 WeakPolarHBondContact CE2-O 3.46Å; F825-N829 WeakPolarHBondContact O-CA 3.44Å; F825-N829 PolarHBondContact O-N 3.16Å
830	I	94.4	Very high	93.3	Very high	99 Å²	99	81.4 Å²	81.4	51%	0.508	43%	0.429	S	S	.	.	S	Bend	trans	-96.2	152.8	173.7	52.9	158.8	0	0	0	112.4	Y824 F825 H828	Y824-I830 HydrophobicContact CE1-CD1 3.9Å; Y824-I830 HydrophobicContact CE1-CG1 3.86Å; F825-I830 WeakPolarHBondContact CA-O 2.99Å; H828-I830 HydrophobicContact CB-CD1 4.46Å; H828-I830 HydrophobicContact CB-CG1 3.72Å; H828-I830 PolarHBondContact O-N 3.05Å
831	Q	94.3	Very high	92.8	Very high	88 Å²	88	83.5 Å²	83.5	41%	0.411	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-61.9	144.7	171.8	-76.6	-63.3	-25.1	0	0	110.8	N799 P833	N799-Q831 PolarHBondContact ND2-OE1 3.29Å; Q831-P833 WeakPolarHBondContact O-CD 3.44Å
832	R	95.4	Very high	92	Very high	38 Å²	38	90.4 Å²	90.4	14%	0.143	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-69.3	122.6	-177.5	-168.6	178.6	-177.6	-74	4.1	110.1	N799 C821 Y824 M836	N799-R832 PolarHBondContact ND2-N 2.82Å; N799-R832 PolarHBondContact ND2-O 3.35Å; N799-R832 PolarHBondContact OD1-O 3.17Å; C821-R832 HydrophobicContact CB-CB 4.4Å; Y824-R832 HydrophobicContact CD1-CB 3.67Å; Y824-R832 HydrophobicContact CD1-CG 3.92Å; Y824-R832 HydrophobicContact CD2-CG 4.09Å; Y824-R832 HydrophobicContact CE1-CB 4.32Å; Y824-R832 HydrophobicContact CE1-CG 4.43Å; Y824-R832 HydrophobicContact CG-CB 3.88Å; Y824-R832 HydrophobicContact CG-CG 3.7Å; R832-M836 VanDerWaalsContact CZ-O 3.32Å; R832-M836 PolarHBondContact NH1-O 2.98Å; R832-M836 VanDerWaalsContact NH1-O 3.14Å; R832-M836 PolarHBondContact NH2-O 3.09Å
833	P	95.6	Very high	91.2	Very high	46 Å²	46	95.8 Å²	95.8	30%	0.299	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-68.1	142	179.6	28	-34.4	0	0	0	110.3	Y824 Q831 S835 M836	Y824-P833 WeakPolarHBondContact OH-CD 3.23Å; Q831-P833 WeakPolarHBondContact O-CD 3.44Å; P833-S835 VanDerWaalsContact C-N 3.26Å; P833-S835 PolarHBondContact O-N 3.34Å; P833-M836 HydrophobicContact CG-CB 4.42Å; P833-M836 HydrophobicContact CG-CG 3.87Å; P833-M836 HydrophobicContact CG-SD 3.71Å; P833-M836 PolarHBondContact O-N 2.81Å; P833-M836 VanDerWaalsContact O-N 3.16Å
834	I	93.1	Very high	90.2	Very high	107 Å²	107	102.1 Å²	102.1	55%	0.549	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-69.4	-26.6	-176	-65	-177.7	0	0	0	111.3	M836 K837	I834-M836 PolarHBondContact O-N 2.9Å; I834-M836 VanDerWaalsContact O-N 3.15Å; I834-K837 WeakPolarHBondContact O-CB 3.22Å; I834-K837 PolarHBondContact O-N 2.97Å
835	S	92.9	Very high	88.6	Confident	114 Å²	114	107.6 Å²	107.6	80%	0.797	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-56.5	-25.9	170.9	54.2	0	0	0	0	114	P833	P833-S835 VanDerWaalsContact C-N 3.26Å; P833-S835 PolarHBondContact O-N 3.34Å
836	M	90.5	Very high	87.1	Confident	95 Å²	95	114.4 Å²	114.4	47%	0.468	57%	0.57	S	S	.	*	G	3₁₀ helix	trans	-85.4	-4.5	174	-66.2	-178.4	81.4	0	0	113.3	Y824 R832 P833 I834	Y824-M836 HydrophobicContact CD2-SD 4.46Å; Y824-M836 HydrophobicContact CE2-CE 4.01Å; Y824-M836 HydrophobicContact CE2-SD 3.6Å; Y824-M836 VanDerWaalsContact CE2-SD 3.6Å; R832-M836 VanDerWaalsContact CZ-O 3.32Å; R832-M836 PolarHBondContact NH1-O 2.98Å; R832-M836 VanDerWaalsContact NH1-O 3.14Å; R832-M836 PolarHBondContact NH2-O 3.09Å; P833-M836 HydrophobicContact CG-CB 4.42Å; P833-M836 HydrophobicContact CG-CG 3.87Å; P833-M836 HydrophobicContact CG-SD 3.71Å; P833-M836 PolarHBondContact O-N 2.81Å; P833-M836 VanDerWaalsContact O-N 3.16Å; I834-M836 PolarHBondContact O-N 2.9Å; I834-M836 VanDerWaalsContact O-N 3.15Å
837	K	90.2	Very high	85.7	Confident	75 Å²	75	115.7 Å²	115.7	33%	0.326	58%	0.576	S	S	.	*			trans	-59.7	139.4	-179.5	177.2	171.6	167.6	-83.6	0	109.9	C800 T802 I834 D839	C800-K837 HydrophobicContact CB-CD 4.41Å; T802-K837 VanDerWaalsContact OG1-CE 3.28Å; T802-K837 WeakPolarHBondContact OG1-CE 3.12Å; I834-K837 WeakPolarHBondContact O-CB 3.22Å; I834-K837 PolarHBondContact O-N 2.97Å; K837-D839 IonicContact NZ-OD1 2.67Å; K837-D839 PolarHBondContact NZ-OD1 3.17Å
838	K	87.7	Confident	84.4	Confident	124 Å²	124	115.3 Å²	115.3	54%	0.539	58%	0.578	S	S	.	*			trans	-128.1	132.6	169.5	-174.6	164.1	-171.1	156.7	0	108.7	Q842	K838-Q842 HydrophobicContact CD-CG 4.2Å; K838-Q842 VanDerWaalsContact NZ-NE2 3.18Å
839	D	83.7	Confident	82.1	Confident	114 Å²	114	114.8 Å²	114.8	61%	0.61	59%	0.586	S	S	*	*	S	Bend	trans	-78.4	-33.9	-170.2	-50.1	-74.4	0	0	0	112.2	K837	K837-D839 IonicContact NZ-OD1 2.67Å; K837-D839 PolarHBondContact NZ-OD1 3.17Å
840	G	84.3	Confident	80.3	Confident	44 Å²	44	115.8 Å²	115.8	45%	0.454	59%	0.586	S	S	.	*	S	Bend	trans	-87.1	129.1	173	0	0	0	0	0	113.2	Q842	G840-Q842 PolarHBondContact O-N 3.44Å
841	I	84.6	Confident	78.5	Confident	87 Å²	87	120.1 Å²	120.1	45%	0.446	60%	0.602	S	S	.	*			trans	-68.7	102.2	171.5	-61.2	179.1	0	0	0	109.7	T806 T843	T806-I841 HydrophobicContact CG2-CG2 3.57Å; I841-T843 PolarHBondContact O-N 3.13Å
842	Q	80.6	Confident	76.7	Confident	147 Å²	147	122.3 Å²	122.3	69%	0.687	62%	0.621	S	S	*	*			trans	-73	112.7	173.5	-73.6	-177.2	-56.2	0	0	111.6	K838 G840 R844	K838-Q842 HydrophobicContact CD-CG 4.2Å; K838-Q842 VanDerWaalsContact NZ-NE2 3.18Å; G840-Q842 PolarHBondContact O-N 3.44Å; Q842-R844 PolarHBondContact O-N 3.01Å
843	T	78.2	Confident	74.6	Confident	125 Å²	125	129.3 Å²	129.3	77%	0.767	65%	0.653	S	S	*	*			trans	-76.7	112.9	166.9	48.9	0	0	0	0	109.4	I841 N845	I841-T843 PolarHBondContact O-N 3.13Å; T843-N845 PolarHBondContact O-N 3.31Å
844	R	75.8	Confident	72.4	Confident	213 Å²	213	135.6 Å²	135.6	80%	0.804	68%	0.675	S	S	*	*			trans	-61.6	110.2	171.8	-179.6	176	178.5	-179.7	0.4	108.2	Q842 R846	Q842-R844 PolarHBondContact O-N 3.01Å; R844-R846 HydrophobicContact CG-CG 4.24Å; R844-R846 PolarHBondContact O-N 3.27Å
845	N	62.9	Low	70.1	Confident	154 Å²	154	137.5 Å²	137.5	82%	0.824	68%	0.682	S	S	*	*			trans	-70.3	81.1	179.9	-164.2	-2.6	0	0	0	110.2	T843 K847	T843-N845 PolarHBondContact O-N 3.31Å; N845-K847 PolarHBondContact O-N 2.85Å
846	R	65.5	Low	68.1	Low	204 Å²	204	141.8 Å²	141.8	77%	0.77	69%	0.686	S	S	*	*			trans	-70.5	92.3	-177.8	-66.5	-176.3	-172.7	-160.6	0.8	108.8	R844 V848	R844-R846 HydrophobicContact CG-CG 4.24Å; R844-R846 PolarHBondContact O-N 3.27Å; R846-V848 PolarHBondContact O-N 3.21Å
847	K	65.7	Low	66	Low	198 Å²	198	146.9 Å²	146.9	86%	0.861	71%	0.706	S	S	*	*			trans	-46.9	111.8	162.9	-74.3	-176.7	177.7	178.1	0	108	N845 S849	N845-K847 PolarHBondContact O-N 2.85Å; K847-S849 PolarHBondContact O-N 3.13Å
848	V	67.5	Low	63.5	Low	122 Å²	122	145.5 Å²	145.5	74%	0.739	71%	0.713	S	S	*	*			trans	-61.4	112.4	171.9	-75	0	0	0	0	107.4	R846 Q850	R846-V848 PolarHBondContact O-N 3.21Å; V848-Q850 PolarHBondContact O-N 2.99Å
849	S	46.3	Very low	61.6	Low	88 Å²	88	146.3 Å²	146.3	62%	0.615	72%	0.717	S	S	*	*			trans	-66	106.2	-174	-174.8	0	0	0	0	109.4	K847 K851	K847-S849 PolarHBondContact O-N 3.13Å; S849-K851 PolarHBondContact O-N 3.07Å
850	Q	58	Low	59.8	Low	149 Å²	149	151.1 Å²	151.1	70%	0.696	73%	0.728	S	S	*	*			trans	-74.9	15.3	-179.9	-64	-163.4	-2.1	0	0	113.4	V848 T852 K853	V848-Q850 PolarHBondContact O-N 2.99Å; Q850-T852 PolarHBondContact O-N 3.49Å; Q850-K853 PolarHBondContact O-N 3.03Å
851	K	56.6	Low	58.2	Low	191 Å²	191	153.5 Å²	153.5	83%	0.83	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	4	177.7	-76.7	-162	169.4	-164.7	0	115.1	S849	S849-K851 PolarHBondContact O-N 3.07Å
852	T	56.2	Low	56.4	Low	134 Å²	134	157.4 Å²	157.4	82%	0.822	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.3	11.9	170.7	55.8	0	0	0	0	114.2	Q850	Q850-T852 PolarHBondContact O-N 3.49Å
853	K	50.6	Low	55.2	Low	184 Å²	184	154.7 Å²	154.7	80%	0.8	74%	0.743	S	S	*	*	S	Bend	trans	-129.5	12.2	-179.7	-82.5	-160.9	171.2	-167.6	0	116.6	Q850	Q850-K853 PolarHBondContact O-N 3.03Å
854	K	49.7	Very low	54.1	Low	179 Å²	179	152.8 Å²	152.8	78%	0.778	74%	0.735	S	S	*	*	S	Bend	trans	-140.9	28.4	176.7	-130.7	-171.4	-178	-159.9	0	116.2
855	H	45.2	Very low	53.3	Low	147 Å²	147	149.2 Å²	149.2	68%	0.681	73%	0.732	S	S	*	*	S	Bend	trans	-125.8	30	177.8	-132.1	-82.2	0	0	0	114.1	F859	H855-F859 AromaticContact CE1-CD2 3.61Å; H855-F859 AromaticContact CE1-CG 3.96Å; H855-F859 AromaticContact NE2-CD2 3.97Å
856	K	51.3	Low	53	Low	204 Å²	204	147.4 Å²	147.4	89%	0.887	72%	0.722	S	S	*	*	S	Bend	trans	-121	11.4	166.3	-156.4	174.6	176.3	178.9	0	113.1
857	F	45.4	Very low	53	Low	202 Å²	202	141.6 Å²	141.6	89%	0.886	71%	0.711	S	S	*	*	S	Bend	trans	-160	118.7	166	-113.8	-85	0	0	0	105.5
858	G	38.8	Very low	52.8	Low	46 Å²	46	138 Å²	138	47%	0.474	71%	0.705	S	S	.	*	S	Bend	trans	144	-30.2	178.6	0	0	0	0	0	116.7	Y860	G858-Y860 PolarHBondContact O-N 3.46Å; G858-Y860 VanDerWaalsContact O-N 3.09Å
859	F	46.1	Very low	52.6	Low	141 Å²	141	138.1 Å²	138.1	62%	0.618	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	16.8	-179.7	-154.3	-100.2	0	0	0	113.9	H855	H855-F859 AromaticContact CE1-CD2 3.61Å; H855-F859 AromaticContact CE1-CG 3.96Å; H855-F859 AromaticContact NE2-CD2 3.97Å
860	Y	47.4	Very low	52.9	Low	215 Å²	215	143.4 Å²	143.4	84%	0.843	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.7	14.4	-179.5	-81.7	-78	0	0	0	112.1	G858	G858-Y860 PolarHBondContact O-N 3.46Å; G858-Y860 VanDerWaalsContact O-N 3.09Å
861	S	49.7	Very low	52.8	Low	94 Å²	94	142.1 Å²	142.1	66%	0.657	71%	0.707	S	S	*	*	S	Bend	trans	-126.7	14.8	-175.7	-51.5	0	0	0	0	113.3
862	E	47.9	Very low	53	Low	169 Å²	169	141.5 Å²	141.5	79%	0.79	71%	0.709	S	S	*	*	S	Bend	trans	-135.7	13.5	175.8	-155.4	168.8	-174.2	0	0	110.6
863	L	54.5	Low	53.1	Low	89 Å²	89	144 Å²	144	47%	0.466	71%	0.708	S	S	.	*	S	Bend	trans	-114.3	-5	168.7	-104	75.7	0	0	0	112	D865 L866 L871	L863-D865 VanDerWaalsContact C-N 3.26Å; L863-D865 PolarHBondContact O-N 3.24Å; L863-L866 HydrophobicContact CG-CD1 4.48Å; L863-L871 HydrophobicContact CD2-CD1 4.36Å
864	S	56.2	Low	53.2	Low	85 Å²	85	139.7 Å²	139.7	59%	0.594	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-22.3	-179.2	35	0	0	0	0	113.9
865	D	58.8	Low	53.1	Low	139 Å²	139	137.3 Å²	137.3	74%	0.743	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109	15.6	-171.9	-51.9	-81.5	0	0	0	112.4	L863	L863-D865 VanDerWaalsContact C-N 3.26Å; L863-D865 PolarHBondContact O-N 3.24Å
866	L	55.3	Low	53.1	Low	116 Å²	116	137.2 Å²	137.2	61%	0.607	70%	0.704	S	S	*	*	S	Bend	trans	-105	133.8	174.6	-72.9	171.8	0	0	0	110.7	L863	L863-L866 HydrophobicContact CG-CD1 4.48Å
867	P	66.8	Low	53.1	Low	82 Å²	82	134.9 Å²	134.9	53%	0.532	70%	0.696	S	S	.	*			trans	-65.3	137.7	-176.9	26.1	-34.1	0	0	0	112	D869 Y870	P867-D869 PolarHBondContact O-N 2.83Å; P867-D869 VanDerWaalsContact O-N 3.09Å; P867-Y870 PolarHBondContact O-N 3.32Å
868	V	61.1	Low	53.5	Low	121 Å²	121	131 Å²	131	73%	0.733	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-57.7	-27.7	-170.1	-70.7	0	0	0	0	114.5	Y870 L871	V868-Y870 VanDerWaalsContact C-N 3.27Å; V868-Y870 PolarHBondContact O-N 3.23Å; V868-L871 PolarHBondContact O-N 2.87Å
869	D	62.2	Low	54.1	Low	126 Å²	126	137.8 Å²	137.8	67%	0.674	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-65.2	-26	-176.1	-56.2	-65.7	0	0	0	114.1	P867	P867-D869 PolarHBondContact O-N 2.83Å; P867-D869 VanDerWaalsContact O-N 3.09Å
870	Y	53.5	Low	54.3	Low	198 Å²	198	133.3 Å²	133.3	78%	0.776	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-81.1	-19.8	-179.7	-101.9	-90.6	0	0	0	113.8	P867 V868 M872	P867-Y870 PolarHBondContact O-N 3.32Å; V868-Y870 VanDerWaalsContact C-N 3.27Å; V868-Y870 PolarHBondContact O-N 3.23Å; Y870-M872 VanDerWaalsContact C-N 3.32Å; Y870-M872 PolarHBondContact O-N 2.88Å
871	L	55.2	Low	54.6	Low	123 Å²	123	125.5 Å²	125.5	64%	0.644	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-76	-20.7	-175.1	-144.9	77.1	0	0	0	113.2	L863 V868 K873	L863-L871 HydrophobicContact CD2-CD1 4.36Å; V868-L871 PolarHBondContact O-N 2.87Å; L871-K873 PolarHBondContact O-N 3.01Å
872	M	61.1	Low	54.7	Low	178 Å²	178	124.2 Å²	124.2	88%	0.877	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-82.5	-3.9	-176.2	-73.1	-66.9	-175.2	0	0	115	Y870	Y870-M872 VanDerWaalsContact C-N 3.32Å; Y870-M872 PolarHBondContact O-N 2.88Å
873	K	58.7	Low	55	Low	187 Å²	187	119.3 Å²	119.3	81%	0.813	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-110.8	9.1	-170.3	-89.3	172.7	176.7	167.4	0	116.5	L871	L871-K873 PolarHBondContact O-N 3.01Å
874	T	51.7	Low	55.1	Low	93 Å²	93	117.8 Å²	117.8	57%	0.571	65%	0.649	S	S	*	*	S	Bend	trans	-117.4	118.9	176	54.2	0	0	0	0	112.6	L876	T874-L876 PolarHBondContact O-N 3.39Å
875	P	48.3	Very low	55.3	Low	129 Å²	129	116.6 Å²	116.6	84%	0.838	65%	0.645	S	S	*	*			trans	-80.6	74.9	-169.1	32.6	-37.2	0	0	0	114	H877	P875-H877 VanDerWaalsContact C-N 3.3Å; P875-H877 PolarHBondContact O-N 3.34Å
876	L	44.5	Very low	55.5	Low	145 Å²	145	112.9 Å²	112.9	76%	0.759	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-0.8	177.8	-81.9	169.6	0	0	0	115.2	T874 R878	T874-L876 PolarHBondContact O-N 3.39Å; L876-R878 VanDerWaalsContact C-N 3.31Å; L876-R878 PolarHBondContact O-N 3.02Å
877	H	51.4	Low	55.8	Low	154 Å²	154	109.9 Å²	109.9	71%	0.713	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-21.7	-170.1	-157.4	-124.6	0	0	0	115	P875 F879 G880	P875-H877 VanDerWaalsContact C-N 3.3Å; P875-H877 PolarHBondContact O-N 3.34Å; H877-F879 PolarHBondContact O-N 3.06Å; H877-G880 PolarHBondContact O-N 2.81Å
878	R	53.4	Low	55.6	Low	121 Å²	121	110.7 Å²	110.7	46%	0.457	63%	0.629	S	S	.	*	H	α-helix	trans	-74.2	-18.9	-165.8	-148.3	170.5	-170.2	-123.2	-0.3	115.6	A628 N631 V632 L876	A628-R878 PolarHBondContact O-NH1 2.78Å; A628-R878 PolarHBondContact O-NH2 2.93Å; N631-R878 PolarHBondContact O-NH2 3.36Å; V632-R878 VanDerWaalsContact N-NH2 3.16Å; L876-R878 VanDerWaalsContact C-N 3.31Å; L876-R878 PolarHBondContact O-N 3.02Å
879	F	51.9	Low	55.6	Low	188 Å²	188	107.6 Å²	107.6	83%	0.825	62%	0.616	S	S	*	*	H	α-helix	trans	-94	-18.8	178.7	-72.6	-79.2	0	0	0	114.3	H877	H877-F879 PolarHBondContact O-N 3.06Å
880	G	51.1	Low	55.3	Low	47 Å²	47	104.5 Å²	104.5	49%	0.485	61%	0.607	S	S	.	*	H	α-helix	trans	-78.1	-45.8	173.3	0	0	0	0	0	112.5	H877 A882 A883 A884	H877-G880 PolarHBondContact O-N 2.81Å; G880-A882 VanDerWaalsContact C-N 3.34Å; G880-A882 PolarHBondContact O-N 2.75Å; G880-A883 PolarHBondContact O-N 3.41Å; G880-A884 PolarHBondContact O-N 3.42Å; G880-A884 VanDerWaalsContact O-N 3.1Å
881	A	52.3	Low	55.4	Low	51 Å²	51	100.8 Å²	100.8	42%	0.421	60%	0.601	S	S	.	*	H	α-helix	trans	-59.2	-39.7	-174.1	0	0	0	0	0	113.5	A883 A884 A885	A881-A883 PolarHBondContact O-N 3.03Å; A881-A884 PolarHBondContact O-N 3.43Å; A881-A885 VanDerWaalsContact O-CB 3.31Å; A881-A885 WeakPolarHBondContact O-CB 3.38Å; A881-A885 PolarHBondContact O-N 2.91Å
882	A	52.5	Low	55.2	Low	68 Å²	68	101.6 Å²	101.6	56%	0.562	60%	0.601	S	S	*	*	H	α-helix	trans	-66.3	-36.7	179.3	0	0	0	0	0	113.1	G880 A886	G880-A882 VanDerWaalsContact C-N 3.34Å; G880-A882 PolarHBondContact O-N 2.75Å; A882-A886 WeakPolarHBondContact O-CB 3.42Å; A882-A886 PolarHBondContact O-N 3.48Å
883	A	55.1	Low	54.5	Low	65 Å²	65	101.2 Å²	101.2	54%	0.537	60%	0.595	S	S	.	*	H	α-helix	trans	-71.7	-38.9	176.3	0	0	0	0	0	111.7	G880 A881 A887	G880-A883 PolarHBondContact O-N 3.41Å; A881-A883 PolarHBondContact O-N 3.03Å; A883-A887 PolarHBondContact O-N 2.92Å
884	A	55.1	Low	53.9	Low	57 Å²	57	96.3 Å²	96.3	47%	0.471	59%	0.589	S	S	.	*	H	α-helix	trans	-64.1	-47.5	173.5	0	0	0	0	0	111.7	G880 A881 A886 A887 V888	G880-A884 PolarHBondContact O-N 3.42Å; G880-A884 VanDerWaalsContact O-N 3.1Å; A881-A884 PolarHBondContact O-N 3.43Å; A884-A886 VanDerWaalsContact C-N 3.34Å; A884-A886 PolarHBondContact O-N 3.12Å; A884-A887 PolarHBondContact O-N 3.18Å; A884-V888 WeakPolarHBondContact O-CG2 3.25Å; A884-V888 PolarHBondContact O-N 3.35Å
885	A	60.3	Low	53.4	Low	61 Å²	61	97.1 Å²	97.1	50%	0.504	60%	0.597	S	S	.	*	H	α-helix	trans	-60.9	-40.4	177.1	0	0	0	0	0	112.3	A881 V888 A889	A881-A885 VanDerWaalsContact O-CB 3.31Å; A881-A885 WeakPolarHBondContact O-CB 3.38Å; A881-A885 PolarHBondContact O-N 2.91Å; A885-V888 PolarHBondContact O-N 2.86Å; A885-A889 VanDerWaalsContact O-CB 3.26Å; A885-A889 WeakPolarHBondContact O-CB 3.35Å; A885-A889 PolarHBondContact O-N 3.28Å
886	A	63.4	Low	53.2	Low	61 Å²	61	95.4 Å²	95.4	50%	0.504	59%	0.585	S	S	.	*	H	α-helix	trans	-64.5	-39	174.7	0	0	0	0	0	112.7	A882 A884 A890	A882-A886 WeakPolarHBondContact O-CB 3.42Å; A882-A886 PolarHBondContact O-N 3.48Å; A884-A886 VanDerWaalsContact C-N 3.34Å; A884-A886 PolarHBondContact O-N 3.12Å; A886-A890 VanDerWaalsContact O-CB 3.3Å; A886-A890 WeakPolarHBondContact O-CB 3.42Å; A886-A890 PolarHBondContact O-N 3.01Å
887	A	62.1	Low	53.1	Low	53 Å²	53	93.7 Å²	93.7	44%	0.438	58%	0.581	S	S	.	*	H	α-helix	trans	-68.2	-41.6	175.8	0	0	0	0	0	112.4	A883 A884 A890 N891	A883-A887 PolarHBondContact O-N 2.92Å; A884-A887 PolarHBondContact O-N 3.18Å; A887-A890 PolarHBondContact O-N 3.23Å; A887-N891 PolarHBondContact O-N 3.28Å; A887-N891 VanDerWaalsContact O-N 3.07Å
888	V	62.8	Low	52.6	Low	99 Å²	99	98.3 Å²	98.3	60%	0.6	59%	0.592	S	S	*	*	H	α-helix	trans	-64.8	-45.4	175.3	172.6	0	0	0	0	110.8	A884 A885 A890 N891 H892	A884-V888 WeakPolarHBondContact O-CG2 3.25Å; A884-V888 PolarHBondContact O-N 3.35Å; A885-V888 PolarHBondContact O-N 2.86Å; V888-A890 PolarHBondContact O-N 3.14Å; V888-N891 PolarHBondContact O-N 2.87Å; V888-H892 WeakPolarHBondContact O-CB 3.33Å; V888-H892 PolarHBondContact O-N 3.12Å
889	A	60	Low	51.8	Low	56 Å²	56	96.3 Å²	96.3	46%	0.463	61%	0.609	S	S	.	*	H	α-helix	trans	-63	-38.9	176.8	0	0	0	0	0	112.7	A885 H892 F893	A885-A889 VanDerWaalsContact O-CB 3.26Å; A885-A889 WeakPolarHBondContact O-CB 3.35Å; A885-A889 PolarHBondContact O-N 3.28Å; A889-H892 PolarHBondContact O-N 3.39Å; A889-F893 PolarHBondContact O-N 3.1Å
890	A	56.8	Low	51.2	Low	60 Å²	60	93 Å²	93	50%	0.496	61%	0.608	S	S	.	*	H	α-helix	trans	-63.5	-42.6	175.2	0	0	0	0	0	112.2	A886 A887 V888 F893 A894	A886-A890 VanDerWaalsContact O-CB 3.3Å; A886-A890 WeakPolarHBondContact O-CB 3.42Å; A886-A890 PolarHBondContact O-N 3.01Å; A887-A890 PolarHBondContact O-N 3.23Å; V888-A890 PolarHBondContact O-N 3.14Å; A890-F893 PolarHBondContact O-N 2.95Å; A890-A894 PolarHBondContact O-N 3.05Å; A890-A894 VanDerWaalsContact O-N 3.17Å
891	N	54.9	Low	50.7	Low	121 Å²	121	99.8 Å²	99.8	65%	0.647	63%	0.628	S	S	*	*	H	α-helix	trans	-67	-37.8	174.4	-76.5	-12.8	0	0	0	112.1	A887 V888 F893 A894	A887-N891 PolarHBondContact O-N 3.28Å; A887-N891 VanDerWaalsContact O-N 3.07Å; V888-N891 PolarHBondContact O-N 2.87Å; N891-F893 VanDerWaalsContact C-N 3.28Å; N891-F893 PolarHBondContact O-N 3.49Å; N891-A894 PolarHBondContact O-N 3.19Å; N891-A894 VanDerWaalsContact O-N 3.14Å
892	H	52.5	Low	50.1	Low	140 Å²	140	101.2 Å²	101.2	65%	0.648	64%	0.64	S	S	*	*	H	α-helix	trans	-68	-26.8	178.5	-147.6	-59.7	0	0	0	113	V888 A889	V888-H892 WeakPolarHBondContact O-CB 3.33Å; V888-H892 PolarHBondContact O-N 3.12Å; A889-H892 PolarHBondContact O-N 3.39Å
893	F	46.1	Very low	49.3	Very low	170 Å²	170	105.3 Å²	105.3	75%	0.746	65%	0.651	S	S	*	*	H	α-helix	trans	-81.6	-22.1	171.4	-113.3	-89.4	0	0	0	113.9	A889 A890 N891 C895	A889-F893 PolarHBondContact O-N 3.1Å; A890-F893 PolarHBondContact O-N 2.95Å; N891-F893 VanDerWaalsContact C-N 3.28Å; N891-F893 PolarHBondContact O-N 3.49Å; F893-C895 VanDerWaalsContact C-N 3.34Å
894	A	46.7	Very low	48.8	Very low	83 Å²	83	108.1 Å²	108.1	69%	0.686	66%	0.661	S	S	*	*	H	α-helix	trans	-75.9	-21.3	-179.8	0	0	0	0	0	113.4	A890 N891	A890-A894 PolarHBondContact O-N 3.05Å; A890-A894 VanDerWaalsContact O-N 3.17Å; N891-A894 PolarHBondContact O-N 3.19Å; N891-A894 VanDerWaalsContact O-N 3.14Å
895	C	39.3	Very low	47.9	Very low	110 Å²	110	111 Å²	111	74%	0.743	68%	0.675	S	S	*	*	S	Bend	trans	-87.5	-15.9	-175.9	-160.8	0	0	0	0	114.3	F893 T897	F893-C895 VanDerWaalsContact C-N 3.34Å; C895-T897 PolarHBondContact O-N 3.45Å
896	T	44.3	Very low	46.9	Very low	93 Å²	93	116.1 Å²	116.1	57%	0.571	69%	0.694	S	S	*	*	S	Bend	trans	-104.8	47.9	-165.4	61.4	0	0	0	0	114
897	T	42.9	Very low	45.5	Very low	110 Å²	110	118.5 Å²	118.5	68%	0.675	71%	0.707	S	S	*	*	S	Bend	trans	-150.5	41	174.1	-37.5	0	0	0	0	115.2	C895	C895-T897 PolarHBondContact O-N 3.45Å
898	R	40.6	Very low	44.4	Very low	251 Å²	251	121.4 Å²	121.4	95%	0.947	72%	0.722	S	S	*	*	S	Bend	trans	-142.6	145.1	157.4	-71.7	-169.7	178.9	-179.6	1.1	109.5
899	G	36.5	Very low	43.2	Very low	79 Å²	79	124.7 Å²	124.7	81%	0.814	74%	0.736	S	S	*	*			trans	97.8	62	171	0	0	0	0	0	116.6	Q901	G899-Q901 PolarHBondContact O-N 2.83Å
900	S	40.8	Very low	41.9	Very low	117 Å²	117	127.2 Å²	127.2	82%	0.818	75%	0.75	S	S	*	*			trans	-88.3	91.9	161.2	-63.9	0	0	0	0	110.6
901	Q	40.3	Very low	40.7	Very low	190 Å²	190	133 Å²	133	89%	0.888	77%	0.769	S	S	*	*			trans	-169.9	129	150.1	-111.3	153.5	101.6	0	0	113.6	G899	G899-Q901 PolarHBondContact O-N 2.83Å
902	A	38.4	Very low	39.8	Very low	82 Å²	82	132.8 Å²	132.8	68%	0.678	78%	0.776	S	S	*	*			trans	57.8	117.5	150.5	0	0	0	0	0	122.1
903	I	37.6	Very low	39	Very low	154 Å²	154	131.8 Å²	131.8	79%	0.79	78%	0.775	S	S	*	*				58.1	126.7	119.7	-59.9	167.3	0	0	0	118.1
904	T	42.8	Very low	38.4	Very low	123 Å²	123	129 Å²	129	76%	0.755	77%	0.774	S	S	*	*			cis	-159.2	163.9	-13.8	19.7	0	0	0	0	107.4
905	P	37.5	Very low	37.6	Very low	118 Å²	118	134 Å²	134	77%	0.766	78%	0.776	S	S	*	*			trans	-87.9	160.6	-162	35.5	-37.6	0	0	0	115.7
906	N	38.9	Very low	37.2	Very low	168 Å²	168	136.3 Å²	136.3	90%	0.898	78%	0.781	S	S	*	*			trans	-145.3	131.6	151.6	-110.9	-31.4	0	0	0	111.5
907	S	34.6	Very low	36.7	Very low	112 Å²	112	137.5 Å²	137.5	78%	0.783	79%	0.788	S	S	*	*			trans	-17.4	153.8	-171.3	-75	0	0	0	0	123.9
908	P	37.6	Very low	36.1	Very low	114 Å²	114	136.7 Å²	136.7	74%	0.74	79%	0.787	S	S	*	*			trans	-94.7	167.6	-178.7	40.1	-37	0	0	0	114.2
909	N	37.3	Very low	35.6	Very low	168 Å²	168	134.1 Å²	134.1	90%	0.898	78%	0.778	S	S	*	*			trans	-161.9	166.2	145.4	-113.1	-37.2	0	0	0	112.6
910	S	34.5	Very low	35.3	Very low	109 Å²	109	138.8 Å²	138.8	76%	0.762	78%	0.777	S	S	*	*			trans	74.6	98	179.2	-157.2	0	0	0	0	117.3
911	M	31.7	Very low	35	Very low	180 Å²	180	138 Å²	138	89%	0.887	77%	0.771	S	S	*	*			trans	-100.2	137.6	160.2	-70.2	174.4	58.7	0	0	110.1
912	C	34.2	Very low	34.6	Very low	118 Å²	118	135.7 Å²	135.7	80%	0.797	77%	0.765	S	S	*	*			trans	-140.4	92.6	161.1	-71.1	0	0	0	0	106.8
913	N	35.7	Very low	34.4	Very low	118 Å²	118	137.4 Å²	137.4	63%	0.631	76%	0.763	S	S	*	*				56.3	104.8	74.5	-168.4	28.7	0	0	0	114.1
914	P	34.7	Very low	34.1	Very low	113 Å²	113	136.4 Å²	136.4	73%	0.734	76%	0.759	S	S	*	*	S	Bend	trans	-109.9	44.6	-177.8	41.7	-34.2	0	0	0	114.4
915	Y	29.1	Very low	33.6	Very low	186 Å²	186	136.6 Å²	136.6	73%	0.729	75%	0.754	S	S	*	*			trans	-144	149.8	168.8	-80.4	-77.4	0	0	0	110.7
916	L	32.3	Very low	33.4	Very low	159 Å²	159	137.8 Å²	137.8	83%	0.832	75%	0.754	S	S	*	*			trans	69.7	152	-158.6	-55.7	158.7	0	0	0	111
917	T	32	Very low	33.1	Very low	119 Å²	119	133.7 Å²	133.7	73%	0.73	74%	0.739	S	S	*	*			cis	-149.8	146.7	2	-6.1	0	0	0	0	108.3
918	S	31.5	Very low	33.1	Very low	92 Å²	92	135.1 Å²	135.1	64%	0.643	74%	0.737	S	S	*	*				65	121.8	101	-166.9	0	0	0	0	117.7
919	Y	30.3	Very low	32.9	Very low	197 Å²	197	137 Å²	137	77%	0.773	74%	0.742	S	S	*	*			trans	24.6	130.5	142.7	-65	-80.3	0	0	0	122.8
920	F	29.6	Very low	32.9	Very low	177 Å²	177	135.3 Å²	135.3	78%	0.776	74%	0.737	S	S	*	*			trans	62.7	128.4	145.8	-69	-60.3	0	0	0	122.5
921	S	33.6	Very low	33.2	Very low	101 Å²	101	134.8 Å²	134.8	71%	0.706	73%	0.731	S	S	*	*			trans	54.3	127.1	135	-51.8	0	0	0	0	121.8
922	D	33.5	Very low	33.4	Very low	142 Å²	142	132.6 Å²	132.6	76%	0.759	73%	0.728	S	S	*	*				-167	161.7	97.4	-126.1	20.7	0	0	0	111.9
923	N	34.5	Very low	33.5	Very low	117 Å²	117	132.7 Å²	132.7	63%	0.626	72%	0.721	S	S	*	*			cis	-122.9	-102.7	-14	-165.2	-67.2	0	0	0	109.6	I925	N923-I925 PolarHBondContact OD1-N 3.32Å
924	N	29.4	Very low	33.6	Very low	134 Å²	134	133.5 Å²	133.5	72%	0.717	73%	0.725	S	S	*	*			cis	-140.2	97.9	-9.7	-172	54.1	0	0	0	111.9
925	I	33.3	Very low	33.5	Very low	126 Å²	126	134.9 Å²	134.9	65%	0.646	73%	0.726	S	S	*	*			trans	70.5	116.1	162.8	-66.1	171.3	0	0	0	118.3	N923	N923-I925 PolarHBondContact OD1-N 3.32Å
926	N	32.8	Very low	33.8	Very low	144 Å²	144	132.8 Å²	132.8	77%	0.77	73%	0.728	S	S	*	*			trans	64.7	145	153.7	-79	-19	0	0	0	121.9
927	S	33	Very low	34.1	Very low	82 Å²	82	131.1 Å²	131.1	57%	0.573	72%	0.724	S	S	*	*			cis	-174.3	153.3	-30.2	-110.7	0	0	0	0	111.1
928	N	34.9	Very low	34.2	Very low	141 Å²	141	132.1 Å²	132.1	75%	0.754	73%	0.725	S	S	*	*			trans	71.7	120.6	155.7	-61.3	-18.2	0	0	0	121.4
929	N	34.4	Very low	34.4	Very low	155 Å²	155	134.1 Å²	134.1	83%	0.829	73%	0.728	S	S	*	*			trans	112.2	123.1	141	-60.5	-16.7	0	0	0	119.7
930	T	35.9	Very low	34.7	Very low	131 Å²	131	132 Å²	132	80%	0.804	73%	0.725	S	S	*	*			trans	-124.1	-155.9	-174.7	54.7	0	0	0	0	107.9
931	P	40.4	Very low	35.1	Very low	99 Å²	99	129.2 Å²	129.2	64%	0.643	72%	0.717	S	S	*	*			cis	-130.5	-156.4	-29.1	23.4	2	0	0	0	112.2
932	T	37.4	Very low	35.2	Very low	134 Å²	134	132.4 Å²	132.4	82%	0.822	72%	0.718	S	S	*	*			trans	90.1	152	152.4	70.9	0	0	0	0	120.6
933	N	35.9	Very low	35.4	Very low	119 Å²	119	133.6 Å²	133.6	64%	0.636	72%	0.719	S	S	*	*			cis	-173.2	152.1	-27.4	178.7	30.3	0	0	0	110.9
934	N	36.7	Very low	35.5	Very low	136 Å²	136	135.7 Å²	135.7	73%	0.727	72%	0.722	S	S	*	*			trans	137	148.3	141	-73.7	-60.4	0	0	0	117.3
935	N	32.9	Very low	35.8	Very low	141 Å²	141	134.9 Å²	134.9	75%	0.754	72%	0.718	S	S	*	*			trans	-123.3	178.6	-179.3	-55.7	-65.3	0	0	0	111.2
936	N	36.8	Very low	35.8	Very low	143 Å²	143	137 Å²	137	77%	0.765	73%	0.727	S	S	*	*			trans	155	115.9	141.5	-80.7	-7.9	0	0	0	112.2
937	T	37.5	Very low	36	Very low	123 Å²	123	134.7 Å²	134.7	76%	0.755	72%	0.722	S	S	*	*				62.3	145.4	96	62.2	0	0	0	0	116.4
938	L	33.9	Very low	36	Very low	141 Å²	141	140.5 Å²	140.5	74%	0.738	73%	0.732	S	S	*	*			cis	-175	167.1	-16.6	-167.5	77.3	0	0	0	107.3
939	N	35.9	Very low	36	Very low	133 Å²	133	141 Å²	141	71%	0.711	73%	0.733	S	S	*	*			trans	67.1	164.3	164.7	-67.3	-6.6	0	0	0	118.5
940	E	35.7	Very low	36.1	Very low	154 Å²	154	141.5 Å²	141.5	72%	0.72	73%	0.73	S	S	*	*			cis	-162.9	168.8	-45.8	-142	-161.6	133.9	0	0	110.6
941	I	37.9	Very low	36.2	Very low	118 Å²	118	141 Å²	141	61%	0.605	73%	0.726	S	S	*	*			trans	69.6	100.1	155.9	-60	161.7	0	0	0	121.7
942	K	35.7	Very low	36	Very low	168 Å²	168	142.5 Å²	142.5	73%	0.73	73%	0.729	S	S	*	*				49.9	145.5	128.5	-49.4	175.5	-170.9	168.1	0	125.3
943	H	38.2	Very low	36	Very low	167 Å²	167	140.3 Å²	140.3	77%	0.773	72%	0.72	S	S	*	*			trans	72.5	153.9	155.7	-58.5	-57.7	0	0	0	118.5
944	K	36.5	Very low	36.1	Very low	160 Å²	160	139 Å²	139	70%	0.696	72%	0.719	S	S	*	*			cis	-171	161.5	-34.8	-154.9	179.8	160.3	-96.2	0	108.8
945	D	36.4	Very low	36.1	Very low	118 Å²	118	139 Å²	139	63%	0.631	72%	0.719	S	S	*	*			trans	89.7	115.6	155.7	-59.3	-37.1	0	0	0	123.5
946	M	34	Very low	36.4	Very low	170 Å²	170	140 Å²	140	84%	0.837	72%	0.719	S	S	*	*			trans	56.5	123	130.7	-84.2	179.9	60	0	0	127
947	S	37.1	Very low	36.4	Very low	95 Å²	95	138.9 Å²	138.9	66%	0.664	72%	0.718	S	S	*	*				115.6	154.2	115.8	75.5	0	0	0	0	121.9
948	R	32.7	Very low	36.4	Very low	205 Å²	205	135.9 Å²	135.9	77%	0.774	71%	0.711	S	S	*	*			trans	65.4	129.3	-179.9	-69	-172.2	169.9	97.6	-2.5	115.9
949	I	33.5	Very low	36.4	Very low	150 Å²	150	137.8 Å²	137.8	77%	0.769	72%	0.716	S	S	*	*			cis	76.6	113.1	28.9	-49	163.3	0	0	0	113.2
950	E	36.9	Very low	36.1	Very low	166 Å²	166	140.3 Å²	140.3	78%	0.776	72%	0.721	S	S	*	*				-170.9	167.6	125.5	-102.4	162.5	-139.6	0	0	113.1
951	V	38.8	Very low	36.1	Very low	120 Å²	120	137.9 Å²	137.9	73%	0.727	72%	0.717	S	S	*	*			trans	-59.7	179.6	-169.4	-101.6	0	0	0	0	116.9
952	D	36.3	Very low	35.9	Very low	132 Å²	132	138.7 Å²	138.7	71%	0.706	72%	0.723	S	S	*	*			cis	-156.3	177	19	-136.9	-28.5	0	0	0	115.9
953	S	37.2	Very low	35.7	Very low	88 Å²	88	136.5 Å²	136.5	62%	0.615	72%	0.724	S	S	*	*			trans	44	117.3	145.5	-72	0	0	0	0	121
954	S	38	Very low	35.4	Very low	90 Å²	90	133.3 Å²	133.3	63%	0.629	72%	0.716	S	S	*	*				92	152.2	78.9	91.2	0	0	0	0	111.9
955	D	36.5	Very low	35.1	Very low	137 Å²	137	134.9 Å²	134.9	73%	0.733	72%	0.723	S	S	*	*			cis	-141.4	171.2	12.3	-95.9	-58.5	0	0	0	113.4
956	E	38.4	Very low	34.8	Very low	161 Å²	161	133.6 Å²	133.6	75%	0.752	73%	0.729	S	S	*	*			trans	4.7	157.9	142.8	-61.6	-145.3	149	0	0	122.3
957	T	37.4	Very low	34.6	Very low	121 Å²	121	134.6 Å²	134.6	74%	0.742	73%	0.729	S	S	*	*			cis	-161.5	179.9	-0.4	15	0	0	0	0	110.2
958	G	36.5	Very low	34.3	Very low	59 Å²	59	138.1 Å²	138.1	61%	0.608	73%	0.734	S	S	*	*			trans	87.3	86.5	155.1	0	0	0	0	0	115.2
959	Q	35.3	Very low	34.4	Very low	181 Å²	181	132 Å²	132	85%	0.846	73%	0.728	S	S	*	*				70.2	121	91.4	-66.8	172.6	2.9	0	0	113.6
960	F	30.2	Very low	34.3	Very low	186 Å²	186	130.3 Å²	130.3	82%	0.816	73%	0.725	S	S	*	*				57.8	121.9	70.9	-84.3	-109.1	0	0	0	111.8
961	T	35.5	Very low	34.1	Very low	103 Å²	103	132 Å²	132	63%	0.632	73%	0.73	S	S	*	*			cis	-163.7	-177	5.8	-11.2	0	0	0	0	112.6
962	D	32.9	Very low	33.8	Very low	135 Å²	135	129.9 Å²	129.9	72%	0.722	73%	0.732	S	S	*	*			trans	88.4	108.2	141.6	-72.9	-8.5	0	0	0	123.6
963	V	31.8	Very low	33.5	Very low	123 Å²	123	127 Å²	127	75%	0.745	73%	0.733	S	S	*	*				35.3	131.2	128	-142	0	0	0	0	120.4
964	T	31.7	Very low	33.3	Very low	100 Å²	100	130.2 Å²	130.2	61%	0.613	74%	0.743	S	S	*	*				136.1	124	124.3	-59.5	0	0	0	0	116
965	K	29.5	Very low	33	Very low	192 Å²	192	130.9 Å²	130.9	84%	0.835	74%	0.743	S	S	*	*			trans	63.7	126.3	156.2	-71.9	166	-160.5	166.3	0	122
966	A	30.7	Very low	32.8	Very low	92 Å²	92	130.6 Å²	130.6	76%	0.76	74%	0.742	S	S	*	*				78.2	135.5	126	0	0	0	0	0	123.2
967	F	29	Very low	32.6	Very low	191 Å²	191	128.5 Å²	128.5	84%	0.838	74%	0.735	S	S	*	*			trans	39.4	116.4	144.1	-95.4	-103.7	0	0	0	122.5
968	H	31.7	Very low	32.5	Very low	169 Å²	169	128.6 Å²	128.6	78%	0.782	73%	0.731	S	S	*	*			trans	86.9	129	134.9	-110.1	-113.3	0	0	0	122.8
969	A	33.7	Very low	32.4	Very low	77 Å²	77	131.5 Å²	131.5	64%	0.636	73%	0.733	S	S	*	*			trans	95.1	140.7	135.7	0	0	0	0	0	122
970	T	31.8	Very low	32.5	Very low	114 Å²	114	129.7 Å²	129.7	70%	0.699	73%	0.729	S	S	*	*			trans	69.5	140.1	165.5	0.9	0	0	0	0	115.4
971	F	34.4	Very low	32.8	Very low	202 Å²	202	127 Å²	127	89%	0.886	72%	0.724	S	S	*	*			cis	-129.3	167.6	9.4	-63.1	-105.5	0	0	0	109.9
972	G	31.1	Very low	32.7	Very low	75 Å²	75	126.9 Å²	126.9	77%	0.773	72%	0.719	S	S	*	*			cis	150	128.2	-5.9	0	0	0	0	0	112.1
973	G	31.1	Very low	32.7	Very low	71 Å²	71	130.6 Å²	130.6	73%	0.732	72%	0.723	S	S	*	*			trans	90.2	154.3	175.7	0	0	0	0	0	115.8
974	L	32.3	Very low	33	Very low	155 Å²	155	133.7 Å²	133.7	81%	0.812	73%	0.729	S	S	*	*			cis	-148.7	123.6	-7.4	-87.1	178.3	0	0	0	111.7
975	T	31.7	Very low	33.1	Very low	105 Å²	105	133.8 Å²	133.8	64%	0.644	73%	0.734	S	S	*	*			trans	53.1	147.1	136.3	63.7	0	0	0	0	124
976	N	32.2	Very low	33.4	Very low	131 Å²	131	131.8 Å²	131.8	70%	0.701	73%	0.732	S	S	*	*			trans	78.1	144	146.6	-66.9	-4.6	0	0	0	119.2
977	N	33.4	Very low	33.8	Very low	116 Å²	116	134 Å²	134	62%	0.62	73%	0.726	S	S	*	*			cis	-169.4	159.2	-20.6	-114.5	-6.5	0	0	0	111.1
978	N	36.4	Very low	34	Very low	123 Å²	123	133.2 Å²	133.2	66%	0.658	72%	0.723	S	S	*	*			trans	65.9	158	150.9	-62.2	-6.7	0	0	0	118.5
979	N	34.8	Very low	34.1	Very low	121 Å²	121	130 Å²	130	65%	0.647	72%	0.719	S	S	*	*			cis	-167.6	163.4	-25.5	-102.5	-13	0	0	0	109.8
980	N	37	Very low	34.1	Very low	143 Å²	143	133.2 Å²	133.2	77%	0.765	73%	0.725	S	S	*	*			trans	67.4	163.2	154.5	-61.4	-4.4	0	0	0	120
981	D	37	Very low	34.3	Very low	130 Å²	130	135.7 Å²	135.7	70%	0.695	73%	0.734	S	S	*	*			cis	-167.6	166.1	-48.8	-150.1	-10	0	0	0	110.3
982	N	33.3	Very low	34.2	Very low	100 Å²	100	131.3 Å²	131.3	54%	0.535	73%	0.728	S	S	.	*			trans	56.1	112.6	159.2	-68.4	-61.6	0	0	0	120.1
983	R	32.6	Very low	34.8	Very low	213 Å²	213	133.1 Å²	133.1	80%	0.804	73%	0.727	S	S	*	*				68	131.1	89.4	-69.4	-179.2	-172.9	-171.7	0.9	116.5
984	H	38.4	Very low	35	Very low	188 Å²	188	137.8 Å²	137.8	87%	0.87	73%	0.729	S	S	*	*				-178.4	168.2	115.8	-92.2	96.5	0	0	0	111.5
985	S	33.9	Very low	35.4	Very low	102 Å²	102	135.6 Å²	135.6	71%	0.713	72%	0.724	S	S	*	*			trans	-116	-172.8	-168.2	-51.5	0	0	0	0	113.4
986	N	35.8	Very low	35.8	Very low	150 Å²	150	137 Å²	137	80%	0.802	73%	0.733	S	S	*	*			trans	110.8	145.6	165.4	-59.3	-19.7	0	0	0	115
987	H	37.4	Very low	36	Very low	139 Å²	139	136.6 Å²	136.6	64%	0.644	74%	0.737	S	S	*	*			cis	-166.3	140.9	-15.8	-139.7	-129.4	0	0	0	111.2
988	F	33.3	Very low	36.1	Very low	174 Å²	174	139.4 Å²	139.4	76%	0.763	75%	0.751	S	S	*	*			trans	62.3	165.3	148.6	-78.1	-148.1	0	0	0	118.8
989	S	34.7	Very low	36.2	Very low	101 Å²	101	142 Å²	142	71%	0.706	76%	0.758	S	S	*	*			cis	-148.1	175.3	3.1	-142.6	0	0	0	0	114.2
990	L	33.2	Very low	36.4	Very low	145 Å²	145	140.5 Å²	140.5	76%	0.759	76%	0.755	S	S	*	*			trans	-81.2	157.2	-171.4	-50.2	106.8	0	0	0	116.2
991	N	35.6	Very low	36.4	Very low	165 Å²	165	141.1 Å²	141.1	88%	0.882	75%	0.753	S	S	*	*				175.5	156.8	111.6	-89.9	-26.4	0	0	0	115.5
992	S	33.8	Very low	36.5	Very low	110 Å²	110	142.8 Å²	142.8	77%	0.769	76%	0.757	S	S	*	*			trans	-161	140.9	170.5	-179.3	0	0	0	0	107.7
993	P	42.8	Very low	36.9	Very low	114 Å²	114	142.9 Å²	142.9	74%	0.74	76%	0.756	S	S	*	*				-158.9	-176.4	102.1	41	-21.1	0	0	0	117.5
994	H	35.4	Very low	37	Very low	168 Å²	168	138.9 Å²	138.9	78%	0.778	75%	0.75	S	S	*	*			trans	100.4	123.8	142.9	-120.8	-70	0	0	0	121.3
995	P	40.5	Very low	37.1	Very low	109 Å²	109	137.8 Å²	137.8	71%	0.708	75%	0.745	S	S	*	*			trans	-109	166.8	167.9	40.1	-33.2	0	0	0	113.7
996	T	39.6	Very low	37.4	Very low	135 Å²	135	141.1 Å²	141.1	83%	0.828	75%	0.754	S	S	*	*			trans	-148.5	145.5	163.5	43.8	0	0	0	0	112
997	P	36.3	Very low	37.6	Very low	122 Å²	122	141.9 Å²	141.9	79%	0.792	75%	0.753	S	S	*	*			trans	-110.9	161.5	-179.4	40.1	-33.4	0	0	0	114.5
998	I	36.8	Very low	37.7	Very low	176 Å²	176	142.7 Å²	142.7	90%	0.903	76%	0.757	S	S	*	*			trans	-135.6	150.2	166.9	-61.3	-176.2	0	0	0	110
999	H	37.3	Very low	38.2	Very low	176 Å²	176	143.6 Å²	143.6	82%	0.815	76%	0.764	S	S	*	*			trans	-107.3	-165.7	-164.7	-142.7	-141.6	0	0	0	111.7
1000	P	40.5	Very low	38.4	Very low	90 Å²	90	149.6 Å²	149.6	58%	0.584	77%	0.772	S	S	*	*				-133.7	-136	-124.1	42.6	-18.9	0	0	0	114.2
1001	H	36.4	Very low	38.7	Very low	157 Å²	157	149 Å²	149	73%	0.727	77%	0.769	S	S	*	*			trans	80.7	103.5	175.7	-80	-90.5	0	0	0	119.2
1002	H	39.3	Very low	38.8	Very low	165 Å²	165	150 Å²	150	76%	0.764	77%	0.768	S	S	*	*				-175.6	111	103.8	-150.5	-92.8	0	0	0	107.7
1003	I	40.5	Very low	39	Very low	102 Å²	102	153.8 Å²	153.8	52%	0.523	77%	0.771	S	S	.	*				58.1	115.6	83.2	-63.2	168.3	0	0	0	111.1
1004	D	35.7	Very low	38.7	Very low	128 Å²	128	157.1 Å²	157.1	68%	0.684	78%	0.776	S	S	*	*			cis	-166.2	-169.4	-3.5	-135.5	-55	0	0	0	112.8
1005	H	39.9	Very low	38.6	Very low	166 Å²	166	158.5 Å²	158.5	77%	0.769	78%	0.783	S	S	*	*	S	Bend	trans	78.4	44.4	151.6	-152.2	-65.9	0	0	0	119.6
1006	L	41.3	Very low	38.4	Very low	171 Å²	171	158.6 Å²	158.6	90%	0.895	79%	0.786	S	S	*	*	S	Bend	trans	-146.3	-1.7	155.8	-115.4	155.8	0	0	0	115.7
1007	Q	38.5	Very low	38.1	Very low	166 Å²	166	160.7 Å²	160.7	78%	0.776	79%	0.786	S	S	*	*	S	Bend	trans	-108.7	29.4	-172	-159.5	166.9	-18.7	0	0	114.3
1008	Q	41.4	Very low	37.9	Very low	157 Å²	157	159.5 Å²	159.5	73%	0.734	78%	0.781	S	S	*	*	S	Bend	trans	-108.9	-2.3	-179.2	-65.8	-170.9	9.7	0	0	115.3
1009	Q	43.3	Very low	37.5	Very low	192 Å²	192	158.9 Å²	158.9	90%	0.897	78%	0.776	S	S	*	*	S	Bend	trans	-103.2	-1.3	-178.7	-72.6	-169	-14.4	0	0	115.8
1010	Y	39.3	Very low	37.3	Very low	228 Å²	228	158.7 Å²	158.7	89%	0.894	78%	0.781	S	S	*	*	S	Bend	trans	-108.6	-5.4	-178.9	-116	-90.7	0	0	0	115.2
1011	I	37.8	Very low	36.7	Very low	132 Å²	132	159.6 Å²	159.6	68%	0.677	79%	0.79	S	S	*	*	S	Bend	trans	-123.7	69.7	-174.5	-48.9	-179.8	0	0	0	110.1
1012	Q	37.5	Very low	36.6	Very low	186 Å²	186	161.3 Å²	161.3	87%	0.869	80%	0.8	S	S	*	*	S	Bend	trans	-154.2	19.8	171.9	-138.6	174.3	74	0	0	115.1
1013	K	38.1	Very low	36.1	Very low	190 Å²	190	160 Å²	160	83%	0.826	80%	0.799	S	S	*	*	S	Bend	trans	-132.9	7.6	-175.2	-143.2	175.4	-177.6	175.6	0	117
1014	H	37.5	Very low	35.6	Very low	184 Å²	184	164.4 Å²	164.4	85%	0.852	81%	0.814	S	S	*	*	S	Bend	trans	-143.4	151.1	172.6	-70.3	-75.8	0	0	0	111.3
1015	Q	33.3	Very low	35.6	Very low	197 Å²	197	164.5 Å²	164.5	92%	0.921	82%	0.82	S	S	*	*			trans	84.7	81.3	173.4	-55.3	-171	-1	0	0	119.5
1016	S	35.3	Very low	35.1	Very low	110 Å²	110	163 Å²	163	77%	0.769	82%	0.818	S	S	*	*			trans	-163.9	140.8	139.9	51.1	0	0	0	0	108
1017	Q	34.6	Very low	34.9	Very low	179 Å²	179	159.4 Å²	159.4	84%	0.836	80%	0.799	S	S	*	*			cis	-147.5	141.4	-3.3	-110.6	159.4	2.6	0	0	111.2
1018	S	32.2	Very low	35.1	Very low	97 Å²	97	156.2 Å²	156.2	68%	0.678	79%	0.793	S	S	*	*			trans	19.6	128	150.4	59.2	0	0	0	0	123.8
1019	M	28.3	Very low	34.8	Very low	163 Å²	163	157.4 Å²	157.4	80%	0.803	79%	0.792	S	S	*	*				54.3	111.9	125	-53.6	-65.8	-84.4	0	0	120.5
1020	N	33.2	Very low	35	Very low	172 Å²	172	152.5 Å²	152.5	92%	0.92	78%	0.775	S	S	*	*				-163	140.4	117.8	-101.5	-35.5	0	0	0	111
1021	S	27.5	Very low	35	Very low	110 Å²	110	147.2 Å²	147.2	77%	0.769	76%	0.759	S	S	*	*			trans	-121.4	125.7	179.6	-58.3	0	0	0	0	110.4
1022	M	34.5	Very low	35.6	Very low	192 Å²	192	147 Å²	147	95%	0.946	76%	0.755	S	S	*	*			trans	-147.4	155.3	156.5	-87.7	-147.6	-83.8	0	0	111.3
1023	N	29.1	Very low	36.5	Very low	138 Å²	138	141.5 Å²	141.5	74%	0.738	73%	0.734	S	S	*	*			trans	-85.9	177.2	-174.6	-75.3	-43.7	0	0	0	112.8
1024	F	28.8	Very low	37.5	Very low	194 Å²	194	135.9 Å²	135.9	85%	0.851	72%	0.716	S	S	*	*			trans	73.8	143.3	173.7	-47.1	-79.2	0	0	0	113.5
1025	T	36	Very low	38.5	Very low	130 Å²	130	131.1 Å²	131.1	80%	0.798	70%	0.696	S	S	*	*			cis	-127.1	168.4	21.9	47.3	0	0	0	0	114.2	D1027	T1025-D1027 PolarHBondContact O-N 2.81Å
1026	N	30.1	Very low	40.1	Very low	135 Å²	135	125.8 Å²	125.8	72%	0.722	67%	0.674	S	S	*	*			trans	-69.8	112.8	170.2	-67.1	-62.1	0	0	0	110	P1028	N1026-P1028 VanDerWaalsContact O-CD 3.3Å; N1026-P1028 WeakPolarHBondContact O-CD 3.36Å
1027	D	36.7	Very low	41.5	Very low	95 Å²	95	126.5 Å²	126.5	51%	0.508	67%	0.666	S	S	.	*			trans	-79.1	114.3	175.1	-168.2	-26.7	0	0	0	110.9	T1025 Y1029 T1030	T1025-D1027 PolarHBondContact O-N 2.81Å; D1027-Y1029 PolarHBondContact O-N 2.67Å; D1027-Y1029 VanDerWaalsContact O-N 3.13Å; D1027-Y1029 VanDerWaalsContact OD1-CB 3.29Å; D1027-Y1029 WeakPolarHBondContact OD1-CB 3.29Å; D1027-Y1029 PolarHBondContact OD1-N 3.42Å; D1027-T1030 PolarHBondContact O-N 3.03Å
1028	P	42.2	Very low	42.9	Very low	99 Å²	99	122.5 Å²	122.5	64%	0.643	65%	0.651	S	S	*	*	H	α-helix	trans	-61.1	-23.6	-179	-21.4	34.3	0	0	0	113.2	N1026 T1030 Q1031 H1032	N1026-P1028 VanDerWaalsContact O-CD 3.3Å; N1026-P1028 WeakPolarHBondContact O-CD 3.36Å; P1028-T1030 VanDerWaalsContact C-N 3.34Å; P1028-T1030 PolarHBondContact O-N 2.92Å; P1028-Q1031 PolarHBondContact O-N 3.21Å; P1028-H1032 WeakPolarHBondContact O-CB 3.47Å; P1028-H1032 PolarHBondContact O-N 2.7Å
1029	Y	36.3	Very low	44.7	Very low	182 Å²	182	122.7 Å²	122.7	71%	0.714	64%	0.644	S	S	*	*	H	α-helix	trans	-67.6	-35	-177.4	-142.4	-95.5	0	0	0	112.2	D1027 T1033	D1027-Y1029 PolarHBondContact O-N 2.67Å; D1027-Y1029 VanDerWaalsContact O-N 3.13Å; D1027-Y1029 VanDerWaalsContact OD1-CB 3.29Å; D1027-Y1029 WeakPolarHBondContact OD1-CB 3.29Å; D1027-Y1029 PolarHBondContact OD1-N 3.42Å; Y1029-T1033 HydrophobicContact CD1-CG2 4.24Å; Y1029-T1033 HydrophobicContact CE1-CG2 4.37Å; Y1029-T1033 WeakPolarHBondContact O-CB 3.46Å; Y1029-T1033 WeakPolarHBondContact O-CG2 3.33Å; Y1029-T1033 PolarHBondContact O-N 3.14Å; Y1029-T1033 PolarHBondContact O-OG1 3.02Å
1030	T	46.2	Very low	46.6	Very low	89 Å²	89	120 Å²	120	55%	0.546	63%	0.629	S	S	.	*	H	α-helix	trans	-74.5	-35.5	178.9	-54.6	0	0	0	0	111.7	D1027 P1028 T1033 T1034	D1027-T1030 PolarHBondContact O-N 3.03Å; P1028-T1030 VanDerWaalsContact C-N 3.34Å; P1028-T1030 PolarHBondContact O-N 2.92Å; T1030-T1033 WeakPolarHBondContact CA-OG1 3.43Å; T1030-T1033 PolarHBondContact O-OG1 3.27Å; T1030-T1033 VanDerWaalsContact O-OG1 3.11Å; T1030-T1034 PolarHBondContact O-N 3.08Å; T1030-T1034 VanDerWaalsContact O-N 3.12Å; T1030-T1034 PolarHBondContact O-OG1 3.04Å
1031	Q	40.6	Very low	48.1	Very low	118 Å²	118	117.2 Å²	117.2	55%	0.551	61%	0.612	S	S	*	*	H	α-helix	trans	-73.1	-37.8	171.3	-69.5	-164.7	5.4	0	0	112.3	P1028 T1034 N1035	P1028-Q1031 PolarHBondContact O-N 3.21Å; Q1031-T1034 WeakPolarHBondContact CA-OG1 3.36Å; Q1031-T1034 PolarHBondContact O-OG1 3.32Å; Q1031-N1035 WeakPolarHBondContact O-CB 3.4Å; Q1031-N1035 PolarHBondContact O-N 3.01Å; Q1031-N1035 PolarHBondContact O-ND2 3.01Å; Q1031-N1035 VanDerWaalsContact O-ND2 3.11Å
1032	H	49.1	Very low	50.1	Low	128 Å²	128	117.1 Å²	117.1	59%	0.593	60%	0.603	S	S	*	*	H	α-helix	trans	-67.9	-37.4	176.6	-167.8	-67.3	0	0	0	111.6	P1028 L1036	P1028-H1032 WeakPolarHBondContact O-CB 3.47Å; P1028-H1032 PolarHBondContact O-N 2.7Å; H1032-L1036 WeakPolarHBondContact O-CB 3.49Å; H1032-L1036 PolarHBondContact O-N 2.8Å
1033	T	56.1	Low	51.8	Low	69 Å²	69	113.3 Å²	113.3	42%	0.423	58%	0.583	S	S	.	*	H	α-helix	trans	-69.3	-43.2	175.6	46.2	0	0	0	0	112.4	Y1029 T1030 L1036 M1037	Y1029-T1033 HydrophobicContact CD1-CG2 4.24Å; Y1029-T1033 HydrophobicContact CE1-CG2 4.37Å; Y1029-T1033 WeakPolarHBondContact O-CB 3.46Å; Y1029-T1033 WeakPolarHBondContact O-CG2 3.33Å; Y1029-T1033 PolarHBondContact O-N 3.14Å; Y1029-T1033 PolarHBondContact O-OG1 3.02Å; T1030-T1033 WeakPolarHBondContact CA-OG1 3.43Å; T1030-T1033 PolarHBondContact O-OG1 3.27Å; T1030-T1033 VanDerWaalsContact O-OG1 3.11Å; T1033-L1036 PolarHBondContact O-N 2.88Å; T1033-M1037 WeakPolarHBondContact O-CB 3.42Å; T1033-M1037 PolarHBondContact O-N 3.36Å
1034	T	59.6	Low	53.7	Low	73 Å²	73	112.8 Å²	112.8	45%	0.448	57%	0.574	S	S	.	*	H	α-helix	trans	-66.8	-40.7	174.2	45	0	0	0	0	112.8	T1030 Q1031 M1037 N1038	T1030-T1034 PolarHBondContact O-N 3.08Å; T1030-T1034 VanDerWaalsContact O-N 3.12Å; T1030-T1034 PolarHBondContact O-OG1 3.04Å; Q1031-T1034 WeakPolarHBondContact CA-OG1 3.36Å; Q1031-T1034 PolarHBondContact O-OG1 3.32Å; T1034-M1037 WeakPolarHBondContact O-CB 3.22Å; T1034-M1037 PolarHBondContact O-N 2.8Å; T1034-N1038 WeakPolarHBondContact O-CB 3.36Å; T1034-N1038 VanDerWaalsContact O-CG 3.3Å; T1034-N1038 PolarHBondContact O-N 3.17Å
1035	N	59.7	Low	55.5	Low	84 Å²	84	110.6 Å²	110.6	45%	0.449	56%	0.562	S	S	.	*	H	α-helix	trans	-67.4	-34.5	173.6	-76.3	-41.3	0	0	0	112.7	Q1031 N1039	Q1031-N1035 WeakPolarHBondContact O-CB 3.4Å; Q1031-N1035 PolarHBondContact O-N 3.01Å; Q1031-N1035 PolarHBondContact O-ND2 3.01Å; Q1031-N1035 VanDerWaalsContact O-ND2 3.11Å; N1035-N1039 WeakPolarHBondContact O-CB 3.41Å; N1035-N1039 PolarHBondContact O-N 3.44Å; N1035-N1039 PolarHBondContact O-ND2 3.14Å
1036	L	66.5	Low	56.8	Low	84 Å²	84	107.3 Å²	107.3	44%	0.44	54%	0.544	S	S	.	.	H	α-helix	trans	-66.6	-40	171.6	-178.1	61.5	0	0	0	111.2	H1032 T1033 N1039 Q1040	H1032-L1036 WeakPolarHBondContact O-CB 3.49Å; H1032-L1036 PolarHBondContact O-N 2.8Å; T1033-L1036 PolarHBondContact O-N 2.88Å; L1036-N1039 PolarHBondContact O-N 3.26Å; L1036-Q1040 HydrophobicContact CD1-CG 4.46Å; L1036-Q1040 WeakPolarHBondContact O-CB 3.11Å; L1036-Q1040 VanDerWaalsContact O-CG 3.3Å; L1036-Q1040 WeakPolarHBondContact O-CG 3.37Å; L1036-Q1040 PolarHBondContact O-N 3Å
1037	M	63.9	Low	58.4	Low	126 Å²	126	108.9 Å²	108.9	62%	0.621	54%	0.54	S	S	*	.	H	α-helix	trans	-62.6	-46.6	175	-155.1	71.3	159.8	0	0	111.1	T1033 T1034 Q1040 M1041	T1033-M1037 WeakPolarHBondContact O-CB 3.42Å; T1033-M1037 PolarHBondContact O-N 3.36Å; T1034-M1037 WeakPolarHBondContact O-CB 3.22Å; T1034-M1037 PolarHBondContact O-N 2.8Å; M1037-Q1040 PolarHBondContact O-N 2.96Å; M1037-M1041 WeakPolarHBondContact O-CB 3.42Å; M1037-M1041 VanDerWaalsContact O-CG 3.24Å; M1037-M1041 WeakPolarHBondContact O-CG 3.43Å; M1037-M1041 PolarHBondContact O-N 3.42Å
1038	N	64.3	Low	59.3	Low	94 Å²	94	107.4 Å²	107.4	50%	0.503	53%	0.527	S	S	.	.	H	α-helix	trans	-65.1	-39.7	177.3	-72.3	-16.9	0	0	0	112.2	T1034 M1041 N1042	T1034-N1038 WeakPolarHBondContact O-CB 3.36Å; T1034-N1038 VanDerWaalsContact O-CG 3.3Å; T1034-N1038 PolarHBondContact O-N 3.17Å; N1038-M1041 PolarHBondContact O-N 3.46Å; N1038-N1042 WeakPolarHBondContact O-CB 3.02Å; N1038-N1042 PolarHBondContact O-N 2.76Å
1039	N	69.3	Low	60.1	Low	101 Å²	101	108.4 Å²	108.4	54%	0.54	52%	0.523	S	S	.	.	H	α-helix	trans	-68.5	-37.1	174.3	-79.6	-61.2	0	0	0	112.5	N1035 L1036 N1042 E1043	N1035-N1039 WeakPolarHBondContact O-CB 3.41Å; N1035-N1039 PolarHBondContact O-N 3.44Å; N1035-N1039 PolarHBondContact O-ND2 3.14Å; L1036-N1039 PolarHBondContact O-N 3.26Å; N1039-N1042 PolarHBondContact O-N 2.83Å; N1039-E1043 WeakPolarHBondContact O-CB 3.5Å; N1039-E1043 PolarHBondContact O-N 2.93Å
1040	Q	68.8	Low	61.3	Low	106 Å²	106	107 Å²	107	50%	0.495	52%	0.521	S	S	.	.	H	α-helix	trans	-67.7	-34.8	172	-74	-178.2	25.2	0	0	112.4	L1036 M1037 K1044	L1036-Q1040 HydrophobicContact CD1-CG 4.46Å; L1036-Q1040 WeakPolarHBondContact O-CB 3.11Å; L1036-Q1040 VanDerWaalsContact O-CG 3.3Å; L1036-Q1040 WeakPolarHBondContact O-CG 3.37Å; L1036-Q1040 PolarHBondContact O-N 3Å; M1037-Q1040 PolarHBondContact O-N 2.96Å; Q1040-K1044 WeakPolarHBondContact O-CB 3.37Å; Q1040-K1044 WeakPolarHBondContact O-CG 3.48Å; Q1040-K1044 PolarHBondContact O-N 3.12Å
1041	M	65.8	Low	61.5	Low	114 Å²	114	104.4 Å²	104.4	56%	0.562	51%	0.507	S	S	*	.	H	α-helix	trans	-65.6	-46.5	172.1	-74.1	-72.5	-79.3	0	0	111.1	M1037 N1038 K1044 Y1045	M1037-M1041 WeakPolarHBondContact O-CB 3.42Å; M1037-M1041 VanDerWaalsContact O-CG 3.24Å; M1037-M1041 WeakPolarHBondContact O-CG 3.43Å; M1037-M1041 PolarHBondContact O-N 3.42Å; N1038-M1041 PolarHBondContact O-N 3.46Å; M1041-K1044 WeakPolarHBondContact O-CB 3.41Å; M1041-K1044 PolarHBondContact O-N 3.28Å; M1041-Y1045 WeakPolarHBondContact O-CB 3.48Å; M1041-Y1045 PolarHBondContact O-N 3.5Å
1042	N	68.8	Low	62	Low	109 Å²	109	101 Å²	101	58%	0.583	49%	0.492	S	S	*	.	H	α-helix	trans	-65.3	-37.9	175.6	-79.7	-9.4	0	0	0	112.7	N1038 N1039 Y1045 S1046	N1038-N1042 WeakPolarHBondContact O-CB 3.02Å; N1038-N1042 PolarHBondContact O-N 2.76Å; N1039-N1042 PolarHBondContact O-N 2.83Å; N1042-Y1045 PolarHBondContact O-N 3.35Å; N1042-S1046 WeakPolarHBondContact O-CB 3.31Å; N1042-S1046 PolarHBondContact O-N 3.1Å
1043	E	69.5	Low	61.7	Low	112 Å²	112	103.6 Å²	103.6	52%	0.523	50%	0.498	S	S	.	.	H	α-helix	trans	-63.9	-42.2	170.5	-90.1	-153.2	-174.2	0	0	112.1	N1039 Y1045 R1047	N1039-E1043 WeakPolarHBondContact O-CB 3.5Å; N1039-E1043 PolarHBondContact O-N 2.93Å; E1043-Y1045 VanDerWaalsContact C-N 3.33Å; E1043-R1047 WeakPolarHBondContact O-CB 3.44Å; E1043-R1047 WeakPolarHBondContact O-CG 3.45Å; E1043-R1047 PolarHBondContact O-N 3.08Å; E1043-R1047 IonicContact OE2-CZ 2.96Å; E1043-R1047 IonicContact OE2-NE 2.72Å; E1043-R1047 IonicContact OE2-NH2 2.6Å; E1043-R1047 PolarHBondContact OE2-NH2 3.48Å
1044	K	68.4	Low	61.2	Low	127 Å²	127	106.1 Å²	106.1	55%	0.552	51%	0.508	S	S	*	.	H	α-helix	trans	-60.3	-43.6	172.8	-84.4	-177.3	172.1	-177.9	0	110.8	E741 Q1040 M1041 R1047 Y1048	E741-K1044 IonicContact OE1-NZ 2.81Å; Q1040-K1044 WeakPolarHBondContact O-CB 3.37Å; Q1040-K1044 WeakPolarHBondContact O-CG 3.48Å; Q1040-K1044 PolarHBondContact O-N 3.12Å; M1041-K1044 WeakPolarHBondContact O-CB 3.41Å; M1041-K1044 PolarHBondContact O-N 3.28Å; K1044-R1047 PolarHBondContact O-N 3.5Å; K1044-Y1048 WeakPolarHBondContact O-CB 3.44Å; K1044-Y1048 PolarHBondContact O-N 3.31Å
1045	Y	68	Low	60.5	Low	148 Å²	148	105.4 Å²	105.4	58%	0.58	51%	0.506	S	S	*	.	H	α-helix	trans	-67.2	-43	-179.3	-141.1	-83.5	0	0	0	112.4	M1041 N1042 E1043 Y1048 Q1049	M1041-Y1045 WeakPolarHBondContact O-CB 3.48Å; M1041-Y1045 PolarHBondContact O-N 3.5Å; N1042-Y1045 PolarHBondContact O-N 3.35Å; E1043-Y1045 VanDerWaalsContact C-N 3.33Å; Y1045-Y1048 WeakPolarHBondContact O-CB 3.44Å; Y1045-Y1048 PolarHBondContact O-N 2.94Å; Y1045-Q1049 HydrophobicContact CD1-CG 4.44Å; Y1045-Q1049 PolarHBondContact O-N 3.08Å
1046	S	63.2	Low	59.7	Low	61 Å²	61	106 Å²	106	43%	0.427	51%	0.509	S	S	.	.	H	α-helix	trans	-68.8	-35.5	176.8	-171.5	0	0	0	0	112.2	N1042 K1050	N1042-S1046 WeakPolarHBondContact O-CB 3.31Å; N1042-S1046 PolarHBondContact O-N 3.1Å; S1046-K1050 PolarHBondContact O-N 3.25Å
1047	R	63.5	Low	58.6	Low	167 Å²	167	108.2 Å²	108.2	63%	0.63	52%	0.521	S	S	*	.	H	α-helix	trans	-66.3	-38.9	169.5	-71	179.6	-150.2	-151.8	10.1	111.9	E1043 K1044 K1050 S1051	E1043-R1047 WeakPolarHBondContact O-CB 3.44Å; E1043-R1047 WeakPolarHBondContact O-CG 3.45Å; E1043-R1047 PolarHBondContact O-N 3.08Å; E1043-R1047 IonicContact OE2-CZ 2.96Å; E1043-R1047 IonicContact OE2-NE 2.72Å; E1043-R1047 IonicContact OE2-NH2 2.6Å; E1043-R1047 PolarHBondContact OE2-NH2 3.48Å; K1044-R1047 PolarHBondContact O-N 3.5Å; R1047-K1050 CarbonylContact O-C 3.58Å; R1047-K1050 PolarHBondContact O-N 3.48Å; R1047-S1051 PolarHBondContact O-N 3.07Å; R1047-S1051 PolarHBondContact O-OG 2.93Å
1048	Y	55.9	Low	57.6	Low	64 Å²	64	108.3 Å²	108.3	25%	0.251	53%	0.528	S	S	.	.	H	α-helix	trans	-65.6	-40.3	175.6	-176.2	-119.6	0	0	0	111.9	E738 K1044 Y1045 K1050 S1051 N1052	E738-Y1048 HydrophobicContact CB-CD2 4.32Å; E738-Y1048 HydrophobicContact CB-CE2 3.96Å; E738-Y1048 HydrophobicContact CG-CD2 4.05Å; E738-Y1048 HydrophobicContact CG-CE2 4.19Å; K1044-Y1048 WeakPolarHBondContact O-CB 3.44Å; K1044-Y1048 PolarHBondContact O-N 3.31Å; Y1045-Y1048 WeakPolarHBondContact O-CB 3.44Å; Y1045-Y1048 PolarHBondContact O-N 2.94Å; Y1048-K1050 VanDerWaalsContact C-N 3.33Å; Y1048-K1050 PolarHBondContact O-N 2.93Å; Y1048-S1051 WeakPolarHBondContact CA-OG 3.34Å; Y1048-S1051 PolarHBondContact O-N 3.26Å; Y1048-S1051 PolarHBondContact O-OG 3.39Å; Y1048-N1052 WeakPolarHBondContact CD2-ND2 3.5Å; Y1048-N1052 WeakPolarHBondContact CE2-ND2 3.4Å; Y1048-N1052 VanDerWaalsContact CZ-ND2 3.27Å; Y1048-N1052 PolarHBondContact O-N 2.96Å; Y1048-N1052 PolarHBondContact O-ND2 3.32Å
1049	Q	59.4	Low	56.2	Low	120 Å²	120	109.8 Å²	109.8	56%	0.561	53%	0.527	S	S	*	.	H	α-helix	trans	-61.7	-41.1	171.1	-75.2	178.8	-26.4	0	0	111.6	Y1045 Y1053	Y1045-Q1049 HydrophobicContact CD1-CG 4.44Å; Y1045-Q1049 PolarHBondContact O-N 3.08Å; Q1049-Y1053 PolarHBondContact O-N 2.99Å
1050	K	60	Low	54.5	Low	153 Å²	153	111.9 Å²	111.9	67%	0.665	54%	0.538	S	S	*	.	H	α-helix	trans	-69.5	-31.4	174.7	-74.8	-170.1	174	-172.5	0	114.5	S1046 R1047 Y1048 I1054	S1046-K1050 PolarHBondContact O-N 3.25Å; R1047-K1050 CarbonylContact O-C 3.58Å; R1047-K1050 PolarHBondContact O-N 3.48Å; Y1048-K1050 VanDerWaalsContact C-N 3.33Å; Y1048-K1050 PolarHBondContact O-N 2.93Å; K1050-I1054 WeakPolarHBondContact O-CG1 3.34Å; K1050-I1054 PolarHBondContact O-N 2.83Å
1051	S	51.4	Low	53	Low	35 Å²	35	115.5 Å²	115.5	25%	0.245	56%	0.555	C	S	.	*	H	α-helix	trans	-74.9	-33.7	175	60.9	0	0	0	0	112.5	E738 R1047 Y1048 S1055	E738-S1051 PolarHBondContact OE1-OG 3.46Å; R1047-S1051 PolarHBondContact O-N 3.07Å; R1047-S1051 PolarHBondContact O-OG 2.93Å; Y1048-S1051 WeakPolarHBondContact CA-OG 3.34Å; Y1048-S1051 PolarHBondContact O-N 3.26Å; Y1048-S1051 PolarHBondContact O-OG 3.39Å; S1051-S1055 PolarHBondContact O-N 3.38Å; S1051-S1055 VanDerWaalsContact O-N 3.14Å; S1051-S1055 PolarHBondContact O-OG 3.38Å
1052	N	50.8	Low	51.4	Low	47 Å²	47	116 Å²	116	25%	0.251	57%	0.57	S	S	.	*	H	α-helix	trans	-70	-42.9	171.9	-71.4	-76	0	0	0	112.2	Y1048 I1054 S1055 D1056	Y1048-N1052 WeakPolarHBondContact CD2-ND2 3.5Å; Y1048-N1052 WeakPolarHBondContact CE2-ND2 3.4Å; Y1048-N1052 VanDerWaalsContact CZ-ND2 3.27Å; Y1048-N1052 PolarHBondContact O-N 2.96Å; Y1048-N1052 PolarHBondContact O-ND2 3.32Å; N1052-I1054 PolarHBondContact O-N 3.06Å; N1052-I1054 VanDerWaalsContact O-N 3.12Å; N1052-S1055 CarbonylContact O-C 2.98Å; N1052-S1055 WeakPolarHBondContact O-CA 3.4Å; N1052-S1055 WeakPolarHBondContact O-CB 3.4Å; N1052-S1055 PolarHBondContact O-N 3.01Å; N1052-D1056 PolarHBondContact O-N 3.25Å
1053	Y	43	Very low	49.6	Very low	182 Å²	182	115.8 Å²	115.8	71%	0.714	58%	0.577	S	S	*	*	H	α-helix	trans	-60.3	-27.7	177.9	-146.5	-87.9	0	0	0	113.4	Q1049 L1057	Q1049-Y1053 PolarHBondContact O-N 2.99Å; Y1053-L1057 HydrophobicContact CD1-CD1 4.39Å
1054	I	45.1	Very low	47.8	Very low	121 Å²	121	117.9 Å²	117.9	62%	0.621	59%	0.592	S	S	*	*	H	α-helix	trans	-82.7	-23.7	172.6	-66.8	171.2	0	0	0	112	K1050 N1052	K1050-I1054 WeakPolarHBondContact O-CG1 3.34Å; K1050-I1054 PolarHBondContact O-N 2.83Å; N1052-I1054 PolarHBondContact O-N 3.06Å; N1052-I1054 VanDerWaalsContact O-N 3.12Å
1055	S	45.7	Very low	46.1	Very low	58 Å²	58	119.6 Å²	119.6	41%	0.406	61%	0.607	S	S	.	*	H	α-helix	trans	-78.8	-37.9	177	-59.7	0	0	0	0	112.6	S1051 N1052 V1058	S1051-S1055 PolarHBondContact O-N 3.38Å; S1051-S1055 VanDerWaalsContact O-N 3.14Å; S1051-S1055 PolarHBondContact O-OG 3.38Å; N1052-S1055 CarbonylContact O-C 2.98Å; N1052-S1055 WeakPolarHBondContact O-CA 3.4Å; N1052-S1055 WeakPolarHBondContact O-CB 3.4Å; N1052-S1055 PolarHBondContact O-N 3.01Å; S1055-V1058 PolarHBondContact O-N 2.81Å
1056	D	42.1	Very low	44.3	Very low	98 Å²	98	119.3 Å²	119.3	52%	0.524	62%	0.616	S	S	.	*	H	α-helix	trans	-74.2	-30.5	-178.6	-63.6	-38.4	0	0	0	112.2	N1052 V1058 Y1059	N1052-D1056 PolarHBondContact O-N 3.25Å; D1056-V1058 PolarHBondContact O-N 3.17Å; D1056-V1058 VanDerWaalsContact O-N 3.16Å; D1056-Y1059 PolarHBondContact O-N 3.36Å
1057	L	43.2	Very low	42.9	Very low	130 Å²	130	124.1 Å²	124.1	68%	0.681	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	-12	171.3	-86.7	167.9	0	0	0	114.3	Y1053	Y1053-L1057 HydrophobicContact CD1-CD1 4.39Å
1058	V	43.1	Very low	41.4	Very low	127 Å²	127	122.2 Å²	122.2	77%	0.77	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	7.1	176.1	-174.4	0	0	0	0	111.4	S1055 D1056	S1055-V1058 PolarHBondContact O-N 2.81Å; D1056-V1058 PolarHBondContact O-N 3.17Å; D1056-V1058 VanDerWaalsContact O-N 3.16Å
1059	Y	35.6	Very low	40.4	Very low	126 Å²	126	125.8 Å²	125.8	49%	0.494	66%	0.662	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107.3	-21.9	-174.6	-140.4	-83.8	0	0	0	115.8	K732 D1056	K732-Y1059 HydrophobicContact CD-CE2 3.79Å; K732-Y1059 VanDerWaalsContact CD-OH 3.24Å; K732-Y1059 WeakPolarHBondContact CD-OH 3.39Å; K732-Y1059 PolarHBondContact NZ-OH 3.13Å; D1056-Y1059 PolarHBondContact O-N 3.36Å
1060	N	33.4	Very low	39.2	Very low	144 Å²	144	122.7 Å²	122.7	77%	0.77	65%	0.654	S	S	*	*	S	Bend	trans	-102.3	32.6	-172	-71	-24.8	0	0	0	114.9
1061	Q	36.3	Very low	38.1	Very low	183 Å²	183	120.9 Å²	120.9	86%	0.855	65%	0.651	S	S	*	*	S	Bend	trans	-137.3	59.5	175.1	-69.7	-171.9	-9.5	0	0	112.5
1062	S	32.1	Very low	37.3	Very low	124 Å²	124	125.4 Å²	125.4	87%	0.867	67%	0.673	S	S	*	*			trans	-167.9	64.1	166.9	-80.8	0	0	0	0	112.6
1063	S	31.6	Very low	36.5	Very low	105 Å²	105	127.3 Å²	127.3	73%	0.734	70%	0.695	S	S	*	*			trans	-160.4	91.4	168.4	55	0	0	0	0	111.3
1064	N	31.8	Very low	36	Very low	156 Å²	156	127.4 Å²	127.4	83%	0.834	70%	0.7	S	S	*	*			trans	179.1	133.1	145.9	-92.5	-10.3	0	0	0	109.5
1065	N	32.5	Very low	35.1	Very low	162 Å²	162	125.7 Å²	125.7	87%	0.866	70%	0.697	S	S	*	*			trans	112.6	65.9	176.5	-63	-0.3	0	0	0	114.2
1066	D	30.2	Very low	34.4	Very low	143 Å²	143	131 Å²	131	77%	0.765	72%	0.716	S	S	*	*			trans	-63.1	154.8	150.2	-60.2	-79.1	0	0	0	110.6
1067	Q	35.2	Very low	33.9	Very low	162 Å²	162	131.1 Å²	131.1	76%	0.757	72%	0.724	S	S	*	*				178.3	150.3	127	-94.9	-73.3	-13.5	0	0	111.2
1068	N	31.7	Very low	33.4	Very low	126 Å²	126	129.9 Å²	129.9	67%	0.674	72%	0.717	S	S	*	*			trans	70	121.3	154.2	-80.2	-42.5	0	0	0	124.3
1069	T	34.7	Very low	32.8	Very low	139 Å²	139	127.3 Å²	127.3	85%	0.853	70%	0.697	S	S	*	*			trans	89	122.6	141.9	59.4	0	0	0	0	120.3
1070	S	33.4	Very low	32.5	Very low	56 Å²	56	124.8 Å²	124.8	39%	0.392	69%	0.69	S	S	.	*			trans	-119.3	159.6	172.5	50.5	0	0	0	0	108.3	N721	N721-S1070 VanDerWaalsContact CG-OG 3.25Å; N721-S1070 PolarHBondContact ND2-OG 3.03Å; N721-S1070 VanDerWaalsContact ND2-OG 3.15Å; N721-S1070 PolarHBondContact OD1-OG 3.36Å
1071	N	36.9	Very low	32.6	Very low	114 Å²	114	121.1 Å²	121.1	61%	0.61	67%	0.668	S	S	*	*				177.9	144.5	127.4	-91.7	-34.5	0	0	0	112	N721	N721-N1071 PolarHBondContact ND2-OD1 3.34Å
1072	N	34.5	Very low	32.7	Very low	130 Å²	130	114.4 Å²	114.4	70%	0.695	64%	0.64	S	S	*	*			trans	52.9	133.3	154.8	-64.4	-25.3	0	0	0	119.3
1073	A	34.3	Very low	32.9	Very low	87 Å²	87	112.3 Å²	112.3	72%	0.719	63%	0.625	S	S	*	*				65.2	138.2	54.9	0	0	0	0	0	111.8
1074	K	32.6	Very low	33	Very low	185 Å²	185	112.7 Å²	112.7	80%	0.804	62%	0.619	S	S	*	*			cis	-169.6	157.6	-0.9	144.6	-173.3	174.1	-165.3	0	107.3
1075	C	27.1	Very low	33.2	Very low	84 Å²	84	112.5 Å²	112.5	57%	0.568	62%	0.616	S	S	*	*			trans	67	128.5	176.9	-70.4	0	0	0	0	112.9
1076	E	30.9	Very low	33.2	Very low	171 Å²	171	111 Å²	111	80%	0.799	61%	0.607	S	S	*	*				105.9	149.7	83	-82.1	179	101.7	0	0	110.8
1077	S	31	Very low	33.5	Very low	100 Å²	100	111.5 Å²	111.5	70%	0.699	61%	0.605	S	S	*	*			trans	-31.6	134.3	163.4	-38.1	0	0	0	0	112
1078	L	31.6	Very low	33.5	Very low	103 Å²	103	110.9 Å²	110.9	54%	0.539	60%	0.601	S	S	.	*				-151.1	153.3	51.6	-85.4	155.6	0	0	0	109.8	Q1265	L1078-Q1265 VanDerWaalsContact C-NE2 3.25Å; L1078-Q1265 HydrophobicContact CB-CB 4.08Å; L1078-Q1265 HydrophobicContact CB-CG 3.61Å; L1078-Q1265 HydrophobicContact CD1-CG 4.1Å; L1078-Q1265 HydrophobicContact CG-CG 4.5Å; L1078-Q1265 PolarHBondContact O-NE2 2.79Å
1079	H	30.8	Very low	33.8	Very low	73 Å²	73	111.5 Å²	111.5	34%	0.338	60%	0.6	S	S	.	*				61.1	103.4	95.5	-128.6	-152.9	0	0	0	113.8	K1261 H1262 Q1265	H1079-K1261 PolarHBondContact CE1-O 3.11Å; H1079-K1261 PolarHBondContact ND1-O 3.11Å; H1079-K1261 PolarHBondContact NE2-O 2.84Å; H1079-H1262 AromaticContact CD2-CE1 3.61Å; H1079-H1262 AromaticContact CD2-ND1 3.41Å; H1079-H1262 PolarHBondContact CD2-ND1 2.94Å; H1079-H1262 AromaticContact CG-ND1 3.89Å; H1079-Q1265 WeakPolarHBondContact O-CB 3.29Å; H1079-Q1265 PolarHBondContact O-NE2 3.31Å
1080	M	30.3	Very low	33.7	Very low	73 Å²	73	112.4 Å²	112.4	36%	0.36	60%	0.595	S	S	.	*			trans	175	137.1	144.8	-112.9	72.2	-62.1	0	0	117	K1261 H1262 Q1264 Q1265	M1080-K1261 WeakPolarHBondContact CE-O 3.44Å; M1080-H1262 CarbonylContact C-O 3.47Å; M1080-H1262 WeakPolarHBondContact CA-CD2 3.34Å; M1080-H1262 VanDerWaalsContact CA-O 3.23Å; M1080-H1262 WeakPolarHBondContact CA-O 3.42Å; M1080-H1262 WeakPolarHBondContact CG-O 3.32Å; M1080-H1262 PolarHBondContact N-CD2 3.29Å; M1080-H1262 PolarHBondContact N-NE2 3.13Å; M1080-H1262 PolarHBondContact O-CD2 3.06Å; M1080-H1262 VanDerWaalsContact O-CD2 3.23Å; M1080-Q1264 HydrophobicContact CE-CB 4.22Å; M1080-Q1264 PolarHBondContact SD-N 2.91Å; M1080-Q1265 HydrophobicContact CE-CB 4.09Å; M1080-Q1265 HydrophobicContact SD-CB 3.42Å; M1080-Q1265 WeakPolarHBondContact SD-CB 3.3Å; M1080-Q1265 PolarHBondContact SD-N 3.19Å
1081	K	35.1	Very low	33.7	Very low	67 Å²	67	117.4 Å²	117.4	29%	0.291	62%	0.617	S	S	.	*			trans	-136.7	-160	172.4	-49.4	-172.1	-170.5	164.6	0	107.5	D520 D1258 H1262	D520-K1081 IonicContact OD1-NZ 2.71Å; D520-K1081 PolarHBondContact OD1-NZ 3Å; K1081-D1258 VanDerWaalsContact CE-O 3.26Å; K1081-D1258 WeakPolarHBondContact CE-O 3.49Å; K1081-D1258 PolarHBondContact NZ-O 2.78Å; K1081-D1258 IonicContact NZ-OD1 2.7Å; K1081-D1258 PolarHBondContact NZ-OD1 3.46Å; K1081-H1262 HydrophobicContact CB-CB 3.79Å; K1081-H1262 HydrophobicContact CG-CB 3.65Å; K1081-H1262 WeakPolarHBondContact CG-CD2 3.47Å; K1081-H1262 VanDerWaalsContact N-CB 3.33Å; K1081-H1262 PolarHBondContact N-CD2 3.24Å; K1081-H1262 VanDerWaalsContact N-CD2 3.33Å; K1081-H1262 PolarHBondContact N-O 3.43Å
1082	P	38.8	Very low	33.6	Very low	42 Å²	42	120.7 Å²	120.7	27%	0.273	63%	0.629	S	S	.	*			cis	-125.6	-170.4	-37.7	32	-13	0	0	0	112.1	T1259	P1082-T1259 HydrophobicContact CG-CG2 3.53Å; P1082-T1259 WeakPolarHBondContact CG-OG1 3.49Å
1083	S	35.7	Very low	33.6	Very low	80 Å²	80	117.6 Å²	117.6	56%	0.559	61%	0.612	S	S	*	*			trans	67.9	156.6	144.8	-70.4	0	0	0	0	119.3
1084	N	34.7	Very low	33.6	Very low	113 Å²	113	120.4 Å²	120.4	60%	0.604	61%	0.61	S	S	*	*			cis	-161.2	-175.9	-12.5	-106.8	-1.6	0	0	0	108.8
1085	I	35.1	Very low	33.8	Very low	152 Å²	152	114.7 Å²	114.7	78%	0.779	59%	0.589	S	S	*	*			trans	77	147.9	149.4	-78.6	146	0	0	0	118.6
1086	I	33.4	Very low	34.3	Very low	131 Å²	131	118.9 Å²	118.9	67%	0.672	60%	0.599	S	S	*	*				-141.9	162.6	-56.7	-55	169.9	0	0	0	106.3
1087	H	36.1	Very low	34.5	Very low	154 Å²	154	114.9 Å²	114.9	71%	0.713	59%	0.59	S	S	*	*			trans	121.1	120.1	140.3	-86.4	-69.8	0	0	0	121.1
1088	H	35.7	Very low	34.7	Very low	149 Å²	149	116.2 Å²	116.2	69%	0.69	60%	0.597	S	S	*	*			trans	85.8	137.2	140.7	-99	-66	0	0	0	123.2
1089	H	36.6	Very low	35.3	Very low	138 Å²	138	116.8 Å²	116.8	64%	0.639	61%	0.605	S	S	*	*			trans	69.4	102.4	161.5	-74.8	-78.3	0	0	0	121.5
1090	Q	34.2	Very low	35.6	Very low	159 Å²	159	120 Å²	120	74%	0.743	62%	0.624	S	S	*	*			trans	52.8	102	130.4	-65.2	168.7	-58.9	0	0	119.8
1091	N	32.8	Very low	35.9	Very low	161 Å²	161	121.3 Å²	121.3	86%	0.861	65%	0.646	S	S	*	*				-169.6	165.4	100.9	-108.9	-40.6	0	0	0	113.4
1092	Q	34.5	Very low	35.9	Very low	183 Å²	183	125.6 Å²	125.6	86%	0.855	67%	0.672	S	S	*	*			trans	-125.4	140.7	174.6	-63.7	-178.3	4.5	0	0	111.5
1093	N	34.1	Very low	35.9	Very low	65 Å²	65	131 Å²	131	35%	0.348	70%	0.697	S	S	.	*				-146.3	-150.4	126.4	-164.6	-3.1	0	0	0	108.3	E510 V511 D512 N513	E510-N1093 VanDerWaalsContact CB-ND2 3.31Å; E510-N1093 WeakPolarHBondContact CB-ND2 3.43Å; E510-N1093 PolarHBondContact O-ND2 2.95Å; V511-N1093 VanDerWaalsContact C-ND2 3.33Å; V511-N1093 PolarHBondContact N-ND2 3.46Å; V511-N1093 PolarHBondContact O-ND2 3.15Å; D512-N1093 PolarHBondContact N-ND2 2.91Å; D512-N1093 CarbonylContact O-C 3.57Å; D512-N1093 VanDerWaalsContact O-C 3.28Å; D512-N1093 WeakPolarHBondContact O-CA 3.24Å; D512-N1093 VanDerWaalsContact O-CB 3.24Å; D512-N1093 WeakPolarHBondContact O-CB 3.43Å; D512-N1093 PolarHBondContact O-N 2.91Å; N513-N1093 VanDerWaalsContact CB-O 3.27Å; N513-N1093 WeakPolarHBondContact CB-O 3.3Å; N513-N1093 PolarHBondContact ND2-N 2.91Å; N513-N1093 VanDerWaalsContact ND2-N 3.18Å; N513-N1093 PolarHBondContact ND2-O 2.89Å
1094	Q	35	Very low	36	Very low	145 Å²	145	133 Å²	133	68%	0.678	70%	0.697	S	S	*	*			trans	-147.7	150.3	174.8	-64.5	-169.5	12.4	0	0	112.4	D512	D512-Q1094 PolarHBondContact N-O 3.32Å; D512-Q1094 PolarHBondContact O-N 2.85Å
1095	N	36.7	Very low	36	Very low	66 Å²	66	138.5 Å²	138.5	35%	0.353	71%	0.71	S	S	.	*			trans	-177.5	113.5	147.4	-98.6	-6.7	0	0	0	116	V511 N513	V511-N1095 WeakPolarHBondContact CA-ND2 3.37Å; N513-N1095 VanDerWaalsContact N-N 3.2Å; N513-N1095 CarbonylContact O-C 3.57Å; N513-N1095 PolarHBondContact O-N 3.31Å
1096	H	36.5	Very low	36	Very low	172 Å²	172	138.6 Å²	138.6	80%	0.796	71%	0.707	S	S	*	*				51.6	150.4	129.8	-59.3	-44.4	0	0	0	126.5
1097	S	36	Very low	36.1	Very low	87 Å²	87	135.6 Å²	135.6	61%	0.608	70%	0.701	S	S	*	*			trans	-79.2	154.6	178.3	164.3	0	0	0	0	112.7	T1099	S1097-T1099 PolarHBondContact O-N 3.44Å
1098	P	35.2	Very low	36.3	Very low	128 Å²	128	137.1 Å²	137.1	83%	0.831	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	86.1	-179.3	29.5	-37.7	0	0	0	113.7
1099	T	43.5	Very low	36.3	Very low	115 Å²	115	137.5 Å²	137.5	71%	0.706	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.4	-28	166.8	-41.6	0	0	0	0	112	S1097	S1097-T1099 PolarHBondContact O-N 3.44Å
1100	D	37.4	Very low	36.2	Very low	140 Å²	140	141.7 Å²	141.7	75%	0.749	73%	0.725	S	S	*	*			trans	-112.8	47.6	-168.5	-60.4	-72.3	0	0	0	113.6
1101	A	36.4	Very low	36.3	Very low	100 Å²	100	138.5 Å²	138.5	83%	0.826	72%	0.721	S	S	*	*			trans	-96.5	28.5	-178.2	0	0	0	0	0	114.2
1102	L	35.1	Very low	36.7	Very low	157 Å²	157	136.9 Å²	136.9	82%	0.822	72%	0.717	S	S	*	*	S	Bend	trans	-132.6	130.2	169.1	-119.8	170.9	0	0	0	108.1
1103	I	38.6	Very low	36.9	Very low	155 Å²	155	131.8 Å²	131.8	80%	0.795	70%	0.7	S	S	*	*	S	Bend	trans	68.7	64	-172	-38.3	176.6	0	0	0	114.5
1104	Q	37.8	Very low	36.8	Very low	124 Å²	124	135.3 Å²	135.3	58%	0.579	72%	0.718	S	S	*	*			trans	-138.1	16.2	142.9	-140.8	170.3	107	0	0	115.4	H1106	Q1104-H1106 PolarHBondContact O-N 2.85Å
1105	W	34.9	Very low	36.6	Very low	227 Å²	227	136.5 Å²	136.5	86%	0.86	72%	0.724	S	S	*	*	S	Bend	trans	-77.5	73.6	161.5	-159.8	86.5	0	0	0	109.3
1106	H	36.6	Very low	36.6	Very low	155 Å²	155	139.1 Å²	139.1	72%	0.718	74%	0.737	S	S	*	*			trans	169.3	90.9	158.1	-90.6	-57.8	0	0	0	109.3	Q1104	Q1104-H1106 PolarHBondContact O-N 2.85Å
1107	A	35.6	Very low	36.5	Very low	68 Å²	68	137 Å²	137	56%	0.562	73%	0.732	S	S	*	*			trans	-163.5	79.4	167.8	0	0	0	0	0	110.3
1108	Q	39.3	Very low	36.5	Very low	186 Å²	186	134.6 Å²	134.6	87%	0.869	72%	0.72	S	S	*	*			trans	-137.4	148.1	170.2	-78.6	-179.3	-26.8	0	0	109.3
1109	L	35	Very low	36.3	Very low	157 Å²	157	133.5 Å²	133.5	82%	0.822	71%	0.708	S	S	*	*			trans	70.6	137.7	-170.8	-45.3	177	0	0	0	115
1110	R	34.8	Very low	35.8	Very low	226 Å²	226	130.9 Å²	130.9	85%	0.853	70%	0.704	S	S	*	*			cis	-170	129.7	-41.6	-117.5	175.8	-164.8	-138.1	6	108.5
1111	S	37.4	Very low	35.7	Very low	92 Å²	92	127.7 Å²	127.7	64%	0.643	69%	0.692	S	S	*	*			trans	55.8	116.6	145.3	61.8	0	0	0	0	123.7
1112	T	40.8	Very low	35.4	Very low	127 Å²	127	130.7 Å²	130.7	78%	0.779	69%	0.692	S	S	*	*				80.9	159.7	126.9	61.1	0	0	0	0	119.2
1113	P	37.7	Very low	35	Very low	76 Å²	76	129.4 Å²	129.4	49%	0.494	69%	0.686	S	S	.	*				-140.7	-162.1	-116.3	38.6	-12.8	0	0	0	116.6	L506	L506-P1113 HydrophobicContact CD1-CB 3.73Å
1114	N	32.6	Very low	34.7	Very low	138 Å²	138	131.3 Å²	131.3	74%	0.738	69%	0.689	S	S	*	*			trans	88.1	133.5	156.6	-65.1	-13.9	0	0	0	121.7
1115	Q	31.8	Very low	34.3	Very low	170 Å²	170	132.1 Å²	132.1	79%	0.794	70%	0.698	S	S	*	*			trans	82.7	134.4	144.2	-85.7	-176.2	12.1	0	0	122.9
1116	L	36.1	Very low	34	Very low	121 Å²	121	126.7 Å²	126.7	63%	0.634	70%	0.695	S	S	*	*			trans	72.7	118.7	152.7	-62.4	163.3	0	0	0	120
1117	D	34.2	Very low	33.7	Very low	128 Å²	128	125.6 Å²	125.6	68%	0.684	70%	0.699	S	S	*	*				27.3	104.4	128	-41.5	-24.4	0	0	0	117.6
1118	G	35	Very low	33.3	Very low	36 Å²	36	127.6 Å²	127.6	37%	0.371	71%	0.708	S	S	.	*			trans	-178.7	158	176.7	0	0	0	0	0	115.2	N501 S502	N501-G1118 WeakPolarHBondContact OD1-CA 3.41Å; N501-G1118 PolarHBondContact OD1-N 2.71Å; N501-G1118 PolarHBondContact OD1-O 3.17Å; S502-G1118 PolarHBondContact OG-O 2.83Å; S502-G1118 VanDerWaalsContact OG-O 3.12Å
1119	N	31.1	Very low	32.7	Very low	106 Å²	106	125 Å²	125	57%	0.567	70%	0.7	S	S	*	*			trans	-129.1	142.2	-132.3	-77.7	-18.9	0	0	0	118.9	L500 N501	L500-N1119 HydrophobicContact CB-CB 3.66Å; L500-N1119 VanDerWaalsContact CB-CG 3.49Å; L500-N1119 WeakPolarHBondContact CB-OD1 3.09Å; L500-N1119 HydrophobicContact CD1-CB 3.63Å; L500-N1119 HydrophobicContact CD2-CB 4.02Å; L500-N1119 HydrophobicContact CG-CB 3.91Å; N501-N1119 VanDerWaalsContact CG-OD1 3.25Å; N501-N1119 PolarHBondContact N-OD1 3.35Å; N501-N1119 PolarHBondContact OD1-OD1 3.47Å; N501-N1119 VanDerWaalsContact OD1-OD1 3.12Å
1120	G	34.2	Very low	32.3	Very low	60 Å²	60	126.5 Å²	126.5	62%	0.619	70%	0.696	S	S	*	*			trans	-173.3	124.5	163.1	0	0	0	0	0	117	L500	L500-G1120 VanDerWaalsContact CD2-C 3.41Å; L500-G1120 VanDerWaalsContact CD2-N 3.3Å
1121	S	33.8	Very low	32	Very low	72 Å²	72	121 Å²	121	50%	0.503	68%	0.683	S	S	.	*			trans	-157.9	102.5	179.5	-87.4	0	0	0	0	114.5	L500	L500-S1121 PolarHBondContact N-OG 3.25Å; L500-S1121 VanDerWaalsContact N-OG 3.14Å
1122	I	30.5	Very low	31.6	Very low	163 Å²	163	123.8 Å²	123.8	84%	0.836	69%	0.691	S	S	*	*			trans	-154	104.5	155	-51.3	-179.8	0	0	0	104.8
1123	N	28.3	Very low	30.9	Very low	130 Å²	130	123.2 Å²	123.2	70%	0.695	69%	0.691	S	S	*	*				75.7	106.1	61.5	-168.8	9.7	0	0	0	115.3
1124	F	30.8	Very low	30.7	Very low	195 Å²	195	128.1 Å²	128.1	86%	0.855	71%	0.707	S	S	*	*			trans	-155.7	98.6	147.4	-107.9	-65.6	0	0	0	113.1
1125	N	29.2	Very low	30.8	Very low	142 Å²	142	126.9 Å²	126.9	76%	0.759	71%	0.707	S	S	*	*			trans	39.2	101.3	153.8	-70.7	-23.6	0	0	0	121
1126	S	29.8	Very low	30.8	Very low	113 Å²	113	126.2 Å²	126.2	79%	0.79	71%	0.707	S	S	*	*			trans	-107	144.1	160.6	58.2	0	0	0	0	112.2
1127	T	29.2	Very low	30.3	Very low	132 Å²	132	125.8 Å²	125.8	81%	0.81	71%	0.71	S	S	*	*			trans	-145.8	142.7	155.7	-30.9	0	0	0	0	111.3	L1129	T1127-L1129 HydrophobicContact CG2-CD1 4.23Å
1128	S	27.9	Very low	30.1	Very low	109 Å²	109	130.6 Å²	130.6	76%	0.762	72%	0.718	S	S	*	*			trans	87.9	65.8	-167.1	-163.9	0	0	0	0	113.8
1129	L	27.5	Very low	29.6	Very low	133 Å²	133	137 Å²	137	70%	0.696	74%	0.743	S	S	*	*				57.1	131.2	69.9	-48	168.5	0	0	0	111.9	T1127	T1127-L1129 HydrophobicContact CG2-CD1 4.23Å
1130	Y	26.7	Very low	29.4	Very low	188 Å²	188	135.2 Å²	135.2	74%	0.737	75%	0.75	S	S	*	*			cis	-157.6	148	12.6	-144.1	-147.3	0	0	0	113.2
1131	N	27.7	Very low	29.1	Very low	109 Å²	109	138 Å²	138	58%	0.583	76%	0.759	S	S	*	*			trans	55.8	122.7	158.1	-62.6	-7.4	0	0	0	119.8
1132	N	28.8	Very low	29	Very low	152 Å²	152	142 Å²	142	81%	0.813	77%	0.774	S	S	*	*			cis	96.2	131.8	47.9	-77.1	-15	0	0	0	113.6
1133	C	26.9	Very low	29	Very low	115 Å²	115	139 Å²	139	78%	0.777	76%	0.761	S	S	*	*			trans	-110.5	141.8	175.4	-54.3	0	0	0	0	110.9
1134	Q	33.5	Very low	29.1	Very low	178 Å²	178	138.4 Å²	138.4	83%	0.832	76%	0.757	S	S	*	*			trans	-175.7	174.1	152.7	-97.7	-19.4	-78	0	0	109.4
1135	P	34.9	Very low	29	Very low	113 Å²	113	132.6 Å²	132.6	73%	0.734	75%	0.752	S	S	*	*			trans	-117.6	-142.6	-142.4	45.8	-36	0	0	0	115.2
1136	I	30.2	Very low	29	Very low	155 Å²	155	133.3 Å²	133.3	80%	0.795	75%	0.754	S	S	*	*	S	Bend	trans	-60.9	126	-168.1	-66.8	170	0	0	0	114.4
1137	T	26.2	Very low	29.2	Very low	113 Å²	113	134.5 Å²	134.5	69%	0.693	76%	0.756	S	S	*	*			trans	50.5	105.5	145.7	-48.8	0	0	0	0	121.4
1138	R	29.2	Very low	29.1	Very low	228 Å²	228	131.5 Å²	131.5	86%	0.86	75%	0.752	S	S	*	*				179.1	129.7	127.6	-95.4	162.5	-172.7	-116.2	1.8	107.7
1139	L	24.9	Very low	29.2	Very low	171 Å²	171	129.3 Å²	129.3	90%	0.895	75%	0.746	S	S	*	*				61.7	108.1	71.6	-79.5	169.7	0	0	0	114.8
1140	G	27.8	Very low	29.2	Very low	69 Å²	69	130.3 Å²	130.3	71%	0.711	75%	0.752	S	S	*	*			trans	130.7	111.6	153.7	0	0	0	0	0	117.2
1141	C	28.2	Very low	29.2	Very low	119 Å²	119	126.9 Å²	126.9	80%	0.804	76%	0.755	S	S	*	*			trans	52.2	151.9	137.5	-63.8	0	0	0	0	121.8
1142	N	31.1	Very low	29.2	Very low	154 Å²	154	126.5 Å²	126.5	82%	0.824	76%	0.761	S	S	*	*			cis	-150.8	165.7	-6.6	-123.9	7.4	0	0	0	113.6
1143	N	30.1	Very low	29.3	Very low	102 Å²	102	123.6 Å²	123.6	55%	0.545	75%	0.752	S	S	.	*			trans	-82	165.9	-175.7	-113.2	15.2	0	0	0	115	P427	P427-N1143 PolarHBondContact O-ND2 2.84Å; P427-N1143 VanDerWaalsContact O-ND2 3.14Å
1144	N	29.9	Very low	29.4	Very low	117 Å²	117	124.6 Å²	124.6	63%	0.626	75%	0.749	S	S	*	*			trans	74.4	126.6	145.3	-66.1	-13.9	0	0	0	122.6
1145	G	30.2	Very low	29.2	Very low	72 Å²	72	121 Å²	121	74%	0.742	74%	0.744	S	S	*	*			trans	117.3	158.2	133.3	0	0	0	0	0	117
1146	I	28.4	Very low	29.2	Very low	158 Å²	158	120.6 Å²	120.6	81%	0.81	74%	0.744	S	S	*	*			cis	-164.2	147.5	-15	-137	163.8	0	0	0	108.9
1147	V	33.1	Very low	29.3	Very low	137 Å²	137	118.6 Å²	118.6	83%	0.83	74%	0.744	S	S	*	*			trans	63.6	146	170.2	169.5	0	0	0	0	114.3
1148	G	28	Very low	29.7	Very low	70 Å²	70	118.1 Å²	118.1	72%	0.722	75%	0.745	S	S	*	*			cis	118.6	143.3	4.8	0	0	0	0	0	111.3
1149	G	29.3	Very low	30	Very low	62 Å²	62	111.9 Å²	111.9	64%	0.639	74%	0.736	S	S	*	*			trans	109.9	102	167.9	0	0	0	0	0	116.8
1150	N	27.4	Very low	30.6	Very low	155 Å²	155	108.7 Å²	108.7	83%	0.829	73%	0.728	S	S	*	*			trans	75.7	159.1	130.4	-53.6	-13.3	0	0	0	120.9
1151	C	26.6	Very low	30.9	Very low	116 Å²	116	110.8 Å²	110.8	78%	0.784	73%	0.732	S	S	*	*			trans	47.5	130.9	146.2	64.3	0	0	0	0	119.9
1152	S	28.8	Very low	31.1	Very low	101 Å²	101	109.1 Å²	109.1	71%	0.706	74%	0.735	S	S	*	*			cis	-166.3	-179.1	5.7	-139	0	0	0	0	112.6
1153	S	29.9	Very low	31.1	Very low	90 Å²	90	105.1 Å²	105.1	63%	0.629	73%	0.73	S	S	*	*			trans	22	129	130.5	-50.5	0	0	0	0	117.6
1154	N	29.6	Very low	31	Very low	136 Å²	136	105.6 Å²	105.6	73%	0.727	74%	0.741	S	S	*	*			cis	-165.2	138.4	22.7	-101.5	-4.4	0	0	0	107.9
1155	S	29.8	Very low	30.9	Very low	102 Å²	102	106.4 Å²	106.4	71%	0.713	74%	0.744	S	S	*	*				70.9	84.4	74.7	90.5	0	0	0	0	116.1
1156	S	34.5	Very low	30.9	Very low	105 Å²	105	108.6 Å²	108.6	73%	0.734	74%	0.744	S	S	*	*			trans	-165.6	104.9	153.9	41.8	0	0	0	0	107.3
1157	S	32.7	Very low	30.8	Very low	114 Å²	114	108.5 Å²	108.5	80%	0.797	74%	0.74	S	S	*	*				68.7	126.4	84.4	74.1	0	0	0	0	112.4
1158	S	33.4	Very low	30.5	Very low	102 Å²	102	106.1 Å²	106.1	71%	0.713	73%	0.729	S	S	*	*			cis	-164.3	178.2	12.7	52.4	0	0	0	0	113.6
1159	S	36.9	Very low	30.4	Very low	97 Å²	97	112.5 Å²	112.5	68%	0.678	73%	0.733	S	S	*	*			trans	73.9	126.8	142.4	47.6	0	0	0	0	119.3
1160	S	37.9	Very low	30.3	Very low	104 Å²	104	118 Å²	118	73%	0.727	74%	0.735	S	S	*	*			cis	-158.5	160.4	-5.2	-90.2	0	0	0	0	111.7
1161	S	32.7	Very low	30.4	Very low	114 Å²	114	116 Å²	116	80%	0.797	72%	0.724	S	S	*	*			trans	32.6	114.1	153	56.8	0	0	0	0	117.8
1162	G	33.9	Very low	30.7	Very low	84 Å²	84	116.5 Å²	116.5	87%	0.866	72%	0.715	S	S	*	*			cis	94.9	145.6	41.7	0	0	0	0	0	109.4
1163	G	30	Very low	31.1	Very low	70 Å²	70	118.7 Å²	118.7	72%	0.722	71%	0.712	S	S	*	*			cis	173.7	-145.9	4.5	0	0	0	0	0	108.1
1164	S	27.7	Very low	31.4	Very low	111 Å²	111	121 Å²	121	78%	0.776	72%	0.717	S	S	*	*			trans	69.3	134.4	163.9	-67.7	0	0	0	0	119.8
1165	I	28.6	Very low	31.6	Very low	134 Å²	134	122.2 Å²	122.2	69%	0.687	72%	0.716	S	S	*	*			trans	66.1	107.7	139.9	-62.2	165	0	0	0	114.9
1166	T	30.3	Very low	32	Very low	119 Å²	119	124.2 Å²	124.2	73%	0.73	72%	0.716	S	S	*	*				53.8	173.5	59.3	79.6	0	0	0	0	113.9
1167	H	26.3	Very low	32.2	Very low	156 Å²	156	126.8 Å²	126.8	72%	0.722	72%	0.716	S	S	*	*			trans	46.6	100	172.4	-78.8	-71.6	0	0	0	120
1168	S	26.2	Very low	32.4	Very low	86 Å²	86	125.5 Å²	125.5	60%	0.601	71%	0.707	S	S	*	*				70	151	112.2	-54.2	0	0	0	0	122
1169	Y	25.6	Very low	32.6	Very low	205 Å²	205	127.9 Å²	127.9	80%	0.804	71%	0.712	S	S	*	*			trans	84.9	136.6	136.3	-86.1	-42	0	0	0	121.9
1170	Y	28.3	Very low	32.8	Very low	177 Å²	177	128 Å²	128	69%	0.694	71%	0.71	S	S	*	*			trans	68	111.8	157.4	-82.6	-112.7	0	0	0	116.3
1171	N	29.9	Very low	32.4	Very low	112 Å²	112	130 Å²	130	60%	0.599	71%	0.712	S	S	*	*				76.8	151.8	79.3	-86.9	-44.3	0	0	0	111.7
1172	H	32.1	Very low	32.4	Very low	127 Å²	127	130.5 Å²	130.5	59%	0.588	71%	0.705	S	S	*	*			cis	-156	176.6	16.7	-118.7	-15.4	0	0	0	106.1
1173	K	36.2	Very low	32.4	Very low	147 Å²	147	131.6 Å²	131.6	64%	0.639	69%	0.691	S	S	*	*			cis	-162.9	171.1	12.5	-138.4	154.6	-171.2	168.8	0	110
1174	N	36.7	Very low	32.7	Very low	139 Å²	139	134 Å²	134	74%	0.743	69%	0.687	S	S	*	*			trans	83.7	131.3	155.9	-61.8	-22.4	0	0	0	118.4
1175	K	35.1	Very low	32.8	Very low	162 Å²	162	134 Å²	134	70%	0.704	68%	0.679	S	S	*	*			cis	-165.8	126.1	-6.1	173.7	176.6	174.4	-172.7	0	112.3
1176	M	37.5	Very low	33	Very low	144 Å²	144	137.9 Å²	137.9	71%	0.709	69%	0.685	S	S	*	*			trans	64.3	153.4	159.3	-69.9	159.4	177.5	0	0	117.3
1177	E	38.7	Very low	33.3	Very low	159 Å²	159	136.1 Å²	136.1	74%	0.743	68%	0.677	S	S	*	*			cis	-142.2	136.2	0.9	-130.4	147	143.3	0	0	111.3
1178	S	36.3	Very low	33.7	Very low	87 Å²	87	135.3 Å²	135.3	61%	0.608	68%	0.677	S	S	*	*			trans	-3.3	157.3	133.5	19	0	0	0	0	119.6
1179	D	38.1	Very low	34.2	Very low	152 Å²	152	137.2 Å²	137.2	81%	0.813	68%	0.68	S	S	*	*			cis	-156.3	177.1	5.9	-105.9	-25.3	0	0	0	112
1180	P	40.6	Very low	34.6	Very low	99 Å²	99	132.7 Å²	132.7	64%	0.643	67%	0.67	S	S	*	*			trans	-107.6	-146.6	-167.5	37.1	-25	0	0	0	114.4
1181	I	29.7	Very low	35	Very low	147 Å²	147	131.5 Å²	131.5	75%	0.754	68%	0.675	S	S	*	*			trans	85	130.3	171.2	-51	149.3	0	0	0	111.4
1182	D	33.2	Very low	35.2	Very low	124 Å²	124	132.5 Å²	132.5	66%	0.663	68%	0.676	S	S	*	*			cis	-164.2	168.7	28.8	-144.9	-9.8	0	0	0	117.1
1183	N	34.2	Very low	35.4	Very low	106 Å²	106	132.5 Å²	132.5	57%	0.567	68%	0.681	S	S	*	*			trans	53	125.2	138.9	-87	-37.9	0	0	0	125.5
1184	N	34.7	Very low	35.1	Very low	120 Å²	120	132.2 Å²	132.2	64%	0.642	69%	0.686	S	S	*	*				72	148.6	125.7	-67.7	-23.9	0	0	0	121.7
1185	N	31.3	Very low	34.8	Very low	113 Å²	113	132.7 Å²	132.7	60%	0.604	69%	0.688	S	S	*	*			cis	-163.4	159.3	-11.1	-128.5	-42.7	0	0	0	111.7
1186	R	32.8	Very low	34.5	Very low	215 Å²	215	131.8 Å²	131.8	81%	0.811	69%	0.689	S	S	*	*			trans	67.2	148.7	152.3	-70.9	175	-173.2	-170.9	-0.4	118
1187	S	36.3	Very low	34	Very low	81 Å²	81	131.7 Å²	131.7	57%	0.566	69%	0.692	S	S	*	*			cis	-164.6	145.2	0.4	-116	0	0	0	0	113.5
1188	I	34.3	Very low	33.5	Very low	139 Å²	139	128.8 Å²	128.8	71%	0.713	69%	0.689	S	S	*	*			trans	60.6	133.1	131.2	-62.4	172.5	0	0	0	117.8
1189	N	35.9	Very low	33.3	Very low	126 Å²	126	131.9 Å²	131.9	67%	0.674	70%	0.696	S	S	*	*			cis	-136.9	139.8	8.5	-106.8	-25.7	0	0	0	108
1190	N	34.6	Very low	32.9	Very low	110 Å²	110	131.2 Å²	131.2	59%	0.588	69%	0.692	S	S	*	*				60.3	101.8	72.6	-62	-34.8	0	0	0	115.5
1191	N	36.7	Very low	32.4	Very low	152 Å²	152	134.4 Å²	134.4	81%	0.813	70%	0.698	S	S	*	*				170.7	160.7	105.1	-86.4	-21.7	0	0	0	111.7
1192	H	35	Very low	32.5	Very low	133 Å²	133	131.7 Å²	131.7	62%	0.616	69%	0.692	S	S	*	*			cis	-172.5	155.1	-46.4	-138.2	-86.8	0	0	0	107.5
1193	N	36.6	Very low	32.4	Very low	128 Å²	128	131.3 Å²	131.3	68%	0.684	70%	0.695	S	S	*	*			trans	73.3	130.3	169.8	-43.1	-40.2	0	0	0	115.7
1194	N	29.8	Very low	32.3	Very low	141 Å²	141	133.1 Å²	133.1	75%	0.754	70%	0.703	S	S	*	*			cis	92.8	147	29.9	-74.2	-15.8	0	0	0	115.5
1195	L	29.1	Very low	32	Very low	149 Å²	149	134 Å²	134	78%	0.78	71%	0.706	S	S	*	*			trans	72.4	119.2	180	-82.3	67.7	0	0	0	113.4
1196	I	28.6	Very low	31.9	Very low	142 Å²	142	133.7 Å²	133.7	73%	0.728	71%	0.713	S	S	*	*				91.3	125.5	63	-80.4	-177.9	0	0	0	111
1197	D	27.6	Very low	31.8	Very low	143 Å²	143	128.1 Å²	128.1	77%	0.765	71%	0.707	S	S	*	*			trans	42.3	133	161.8	-63.5	-29.8	0	0	0	122.2
1198	S	28.6	Very low	31.6	Very low	98 Å²	98	129.5 Å²	129.5	69%	0.685	72%	0.716	S	S	*	*			trans	80.7	144.9	144.7	-68.3	0	0	0	0	121.1
1199	M	31.9	Very low	31.6	Very low	152 Å²	152	127 Å²	127	75%	0.749	71%	0.711	S	S	*	*			trans	69.3	96.4	149.4	-72	177.3	-77.9	0	0	120.3
1200	N	28.9	Very low	31.5	Very low	138 Å²	138	126.4 Å²	126.4	74%	0.738	71%	0.712	S	S	*	*				86.5	149.8	118	-60	-14.5	0	0	0	121.7
1201	H	31.1	Very low	31.4	Very low	166 Å²	166	123.7 Å²	123.7	77%	0.769	70%	0.702	S	S	*	*			trans	65.8	78.7	151.9	-81.8	-64.2	0	0	0	121.4
1202	S	31.4	Very low	31.4	Very low	90 Å²	90	120.2 Å²	120.2	63%	0.629	69%	0.689	S	S	*	*				60.6	147.3	108.1	64.4	0	0	0	0	123.2
1203	T	32.2	Very low	31.4	Very low	116 Å²	116	121.9 Å²	121.9	71%	0.712	70%	0.698	S	S	*	*			trans	97.8	128.7	143.3	4.6	0	0	0	0	121.3
1204	I	30.2	Very low	31.2	Very low	144 Å²	144	127.2 Å²	127.2	74%	0.738	71%	0.708	S	S	*	*			trans	103.2	125.6	130.8	-106	160.2	0	0	0	121.4
1205	I	30.1	Very low	31.5	Very low	139 Å²	139	126 Å²	126	71%	0.713	71%	0.71	S	S	*	*			trans	78.9	112.4	151.2	-68.9	173.4	0	0	0	121.4
1206	S	28.3	Very low	31.7	Very low	106 Å²	106	123.5 Å²	123.5	74%	0.741	70%	0.701	S	S	*	*				44.8	152.9	124.4	-45.8	0	0	0	0	122.8
1207	S	31	Very low	31.9	Very low	98 Å²	98	125.6 Å²	125.6	69%	0.685	71%	0.708	S	S	*	*			cis	-176.8	160.4	-10.2	45.6	0	0	0	0	112
1208	S	32.6	Very low	32	Very low	110 Å²	110	122 Å²	122	77%	0.769	70%	0.704	S	S	*	*			trans	62.9	155.1	156.1	39.4	0	0	0	0	119.7
1209	S	32.6	Very low	32.2	Very low	85 Å²	85	125 Å²	125	59%	0.594	71%	0.711	S	S	*	*			cis	-173.6	145.8	-12.2	46.5	0	0	0	0	113.8
1210	T	33.7	Very low	32.3	Very low	115 Å²	115	124 Å²	124	71%	0.706	71%	0.708	S	S	*	*			trans	58.6	162.7	150.5	49.8	0	0	0	0	120.7	C108	C108-T1210 PolarHBondContact SG-OG1 2.73Å; C108-T1210 VanDerWaalsContact SG-OG1 3.39Å
1211	S	34.2	Very low	32.5	Very low	52 Å²	52	124.3 Å²	124.3	36%	0.364	71%	0.709	S	S	.	*			cis	-153.2	155.1	7.6	66.8	0	0	0	0	114.4	C108	C108-S1211 WeakPolarHBondContact SG-CB 2.92Å; C108-S1211 PolarHBondContact SG-N 3.13Å; C108-S1211 PolarHBondContact SG-OG 2.94Å
1212	S	35.6	Very low	32.7	Very low	80 Å²	80	121.1 Å²	121.1	56%	0.559	70%	0.697	S	S	*	*			trans	39.1	159.1	133.2	74.6	0	0	0	0	123.8
1213	E	34.9	Very low	32.8	Very low	168 Å²	168	121.4 Å²	121.4	79%	0.785	69%	0.692	S	S	*	*			cis	-140.2	-153.4	24.3	-79.5	-161.9	110.6	0	0	116.2
1214	R	32.2	Very low	32.9	Very low	239 Å²	239	123.3 Å²	123.3	90%	0.902	69%	0.686	S	S	*	*			trans	-141.8	154.6	-168.1	-64.5	171.7	165.3	-179.8	-2.6	114.3
1215	S	35.8	Very low	33.2	Very low	115 Å²	115	121.2 Å²	121.2	80%	0.804	67%	0.673	S	S	*	*				-167.5	107	129.4	-163.3	0	0	0	0	112.2
1216	V	34.2	Very low	33.5	Very low	98 Å²	98	122.6 Å²	122.6	59%	0.594	67%	0.674	S	S	*	*				55.2	93.4	89.7	-155.4	0	0	0	0	118.4
1217	H	32	Very low	33.6	Very low	186 Å²	186	121.9 Å²	121.9	86%	0.861	66%	0.661	S	S	*	*				174.6	138.7	113.3	-96.2	95.1	0	0	0	113.8
1218	G	31.5	Very low	33.8	Very low	66 Å²	66	123.8 Å²	123.8	68%	0.68	66%	0.657	S	S	*	*			trans	121.9	129.4	149.9	0	0	0	0	0	119.7
1219	I	31.7	Very low	33.7	Very low	162 Å²	162	121.9 Å²	121.9	83%	0.831	64%	0.637	S	S	*	*			trans	80.4	131.3	144.8	-55.5	173.8	0	0	0	119.8
1220	D	34.3	Very low	33.6	Very low	131 Å²	131	121.5 Å²	121.5	70%	0.701	63%	0.634	S	S	*	*			trans	47.2	115.4	159.5	-71	-27.9	0	0	0	125.6
1221	L	33.2	Very low	33.5	Very low	144 Å²	144	122.4 Å²	122.4	75%	0.754	64%	0.639	S	S	*	*				37.6	134.9	108.3	-71.2	172.1	0	0	0	121.2
1222	L	34.6	Very low	33.4	Very low	99 Å²	99	127.1 Å²	127.1	52%	0.518	66%	0.66	S	S	.	*			trans	75.4	104.2	169.1	-78.1	62.9	0	0	0	114.7	S443 N444	S443-L1222 WeakPolarHBondContact OG-CG 3.45Å; N444-L1222 WeakPolarHBondContact OD1-CD2 3.43Å
1223	N	33.8	Very low	33.2	Very low	97 Å²	97	128.2 Å²	128.2	52%	0.519	67%	0.668	S	S	.	*				52.1	122.5	73.9	-59.8	-73.5	0	0	0	114.2	C442 S443	C442-N1223 HydrophobicContact CB-CB 3.9Å; C442-N1223 WeakPolarHBondContact CB-OD1 3.19Å; S443-N1223 WeakPolarHBondContact CB-O 3.44Å; S443-N1223 WeakPolarHBondContact OG-CB 3.22Å; S443-N1223 PolarHBondContact OG-O 2.81Å
1224	R	34.8	Very low	33.1	Very low	155 Å²	155	127 Å²	127	59%	0.585	67%	0.666	S	S	*	*				-160.9	147.6	127.5	-165.2	159.5	-166.4	157.6	16.4	113.9	T441 C442 S443 N444	T441-R1224 WeakPolarHBondContact CB-O 3.46Å; T441-R1224 CarbonylContact O-C 3.51Å; T441-R1224 WeakPolarHBondContact O-CA 3.4Å; T441-R1224 PolarHBondContact O-N 3.03Å; C442-R1224 WeakPolarHBondContact O-CA 3.35Å; S443-R1224 VanDerWaalsContact O-CZ 3.3Å; S443-R1224 PolarHBondContact O-NE 3.46Å; S443-R1224 PolarHBondContact O-NH2 3.45Å; S443-R1224 VanDerWaalsContact O-NH2 3.17Å; N444-R1224 PolarHBondContact O-NH1 2.92Å; N444-R1224 PolarHBondContact O-NH2 2.9Å
1225	H	35.6	Very low	33.3	Very low	100 Å²	100	123.8 Å²	123.8	46%	0.463	67%	0.667	S	S	.	*			trans	-45.7	132.8	-178.2	-86.6	-74.8	0	0	0	117.9	S440 T441 C442	S440-H1225 PolarHBondContact O-CE1 3.3Å; S440-H1225 PolarHBondContact O-ND1 2.85Å; T441-H1225 PolarHBondContact O-N 3.3Å; T441-H1225 WeakPolarHBondContact OG1-CA 3.17Å; C442-H1225 PolarHBondContact N-CD2 3.34Å; C442-H1225 VanDerWaalsContact N-CD2 3.27Å; C442-H1225 PolarHBondContact N-CE1 2.89Å; C442-H1225 PolarHBondContact N-NE2 2.88Å; C442-H1225 VanDerWaalsContact N-NE2 3.14Å; C442-H1225 PolarHBondContact O-CD2 2.82Å; C442-H1225 PolarHBondContact O-N 2.72Å; C442-H1225 VanDerWaalsContact O-N 3.08Å
1226	K	37	Very low	33	Very low	168 Å²	168	122.3 Å²	122.3	73%	0.73	66%	0.656	S	S	*	*				-153.8	123.9	121.6	-99.7	150.8	-177.9	-176.2	0	107.2	T441	T441-K1226 PolarHBondContact OG1-N 2.95Å; T441-K1226 PolarHBondContact OG1-O 3.26Å
1227	L	30.5	Very low	32.8	Very low	92 Å²	92	125.2 Å²	125.2	48%	0.482	67%	0.667	S	S	.	*				56.5	105.4	76.2	-57	173.6	0	0	0	109.5	F438	F438-L1227 VanDerWaalsContact CB-CA 3.44Å; F438-L1227 HydrophobicContact CB-CB 4.36Å; F438-L1227 HydrophobicContact CB-CD2 4.02Å; F438-L1227 VanDerWaalsContact CD1-C 3.41Å; F438-L1227 HydrophobicContact CD2-CB 3.51Å; F438-L1227 HydrophobicContact CD2-CD2 4.39Å; F438-L1227 HydrophobicContact CE2-CB 4.37Å; F438-L1227 WeakPolarHBondContact CE2-O 3.42Å; F438-L1227 HydrophobicContact CG-CB 4.17Å
1228	K	35.4	Very low	32.9	Very low	138 Å²	138	121.7 Å²	121.7	60%	0.6	66%	0.663	S	S	*	*				-120.7	136.9	61.6	-98.9	173.3	179.6	176.6	0	129.5	F438	F438-K1228 HydrophobicContact CD1-CB 3.83Å; F438-K1228 WeakPolarHBondContact CD1-O 3.34Å; F438-K1228 HydrophobicContact CD2-CB 3.47Å; F438-K1228 VanDerWaalsContact CD2-CB 3.47Å; F438-K1228 HydrophobicContact CD2-CG 3.75Å; F438-K1228 HydrophobicContact CE1-CB 3.19Å; F438-K1228 WeakPolarHBondContact CE1-O 3.46Å; F438-K1228 HydrophobicContact CE2-CB 2.77Å; F438-K1228 HydrophobicContact CE2-CD 4.25Å; F438-K1228 HydrophobicContact CE2-CG 3.13Å; F438-K1228 HydrophobicContact CG-CB 3.93Å; F438-K1228 HydrophobicContact CZ-CB 2.62Å; F438-K1228 HydrophobicContact CZ-CG 3.68Å
1229	M	30.9	Very low	33.3	Very low	69 Å²	69	123.1 Å²	123.1	34%	0.34	66%	0.66	S	S	.	*			trans	-21.4	141.6	153.3	-65.1	-82.2	86.6	0	0	116.7	A436	A436-M1229 VanDerWaalsContact CA-CG 3.47Å; A436-M1229 VanDerWaalsContact CA-SD 3.59Å; A436-M1229 HydrophobicContact CB-CG 3.81Å
1230	C	29	Very low	33.2	Very low	78 Å²	78	122.8 Å²	122.8	53%	0.527	66%	0.66	S	S	.	*				64.7	96.3	50.3	-55.9	0	0	0	0	114.6
1231	T	32.5	Very low	33.3	Very low	134 Å²	134	121.1 Å²	121.1	82%	0.822	66%	0.659	S	S	*	*			trans	-145.6	126	135.5	39	0	0	0	0	107.9
1232	D	31.8	Very low	33.4	Very low	151 Å²	151	126 Å²	126	81%	0.807	67%	0.667	S	S	*	*			trans	-76.2	160.2	171.3	-46.2	-95.8	0	0	0	110.9
1233	S	32.5	Very low	33.4	Very low	103 Å²	103	124.8 Å²	124.8	72%	0.72	68%	0.678	S	S	*	*			trans	-151.2	125.1	145	-77.1	0	0	0	0	106.9
1234	L	31.4	Very low	33.6	Very low	141 Å²	141	125.9 Å²	125.9	74%	0.738	69%	0.691	S	S	*	*				62	126.6	107.3	-54.1	177	0	0	0	111.7
1235	D	36.5	Very low	33.4	Very low	172 Å²	172	126.1 Å²	126.1	92%	0.92	70%	0.702	S	S	*	*				-118.4	170.2	50.4	-72	-48.6	0	0	0	118.1
1236	S	30.3	Very low	33.6	Very low	84 Å²	84	130 Å²	130	59%	0.587	72%	0.72	S	S	*	*			trans	-147.6	140.7	178.1	61.5	0	0	0	0	112.3
1237	I	28.6	Very low	33.6	Very low	159 Å²	159	129 Å²	129	82%	0.815	72%	0.724	S	S	*	*			trans	80.6	95.3	158.5	-53	154.5	0	0	0	118.2
1238	S	35.1	Very low	33.6	Very low	113 Å²	113	127.7 Å²	127.7	79%	0.79	73%	0.732	S	S	*	*				59.2	-177.6	123.5	-118.9	0	0	0	0	120.3
1239	P	39.2	Very low	33.5	Very low	95 Å²	95	129.4 Å²	129.4	62%	0.617	75%	0.746	S	S	*	*			cis	-133.5	-171.7	-8.6	34.4	-12.7	0	0	0	116.3
1240	N	30	Very low	33.6	Very low	155 Å²	155	134.2 Å²	134.2	83%	0.829	76%	0.762	S	S	*	*			trans	79.4	151	164.1	-55.9	-36.3	0	0	0	117.3
1241	S	37.2	Very low	33.7	Very low	96 Å²	96	138.3 Å²	138.3	67%	0.671	77%	0.767	S	S	*	*			cis	-153.1	157.9	14.8	70.6	0	0	0	0	115.2
1242	R	34.7	Very low	33.8	Very low	247 Å²	247	136.9 Å²	136.9	93%	0.932	75%	0.751	S	S	*	*			trans	35.9	128.5	145.8	-61.5	166.8	176.1	160	-3.2	119
1243	G	34.3	Very low	34.1	Very low	73 Å²	73	135.7 Å²	135.7	75%	0.753	74%	0.743	S	S	*	*			cis	117.4	165.1	45.9	0	0	0	0	0	109
1244	P	38.9	Very low	34.1	Very low	121 Å²	121	132.6 Å²	132.6	79%	0.786	72%	0.718	S	S	*	*			cis	-96.7	176.2	-3.9	42.8	-35.3	0	0	0	111.8
1245	I	30.8	Very low	34.1	Very low	159 Å²	159	129.1 Å²	129.1	82%	0.815	70%	0.698	S	S	*	*			cis	74.9	96.7	34	-51.1	176.3	0	0	0	114.7
1246	E	38.4	Very low	34.4	Very low	181 Å²	181	124.8 Å²	124.8	85%	0.846	68%	0.678	S	S	*	*			trans	-154	157.9	143.4	-134	166.2	-154.8	0	0	111.8
1247	N	36.8	Very low	34.9	Very low	149 Å²	149	128.7 Å²	128.7	80%	0.797	69%	0.689	S	S	*	*			trans	-56.6	163.4	-168.6	-48.8	-50.2	0	0	0	114.1
1248	G	31.3	Very low	35.4	Very low	63 Å²	63	125.6 Å²	125.6	65%	0.649	67%	0.674	S	S	*	*			cis	123.2	140.4	20.7	0	0	0	0	0	108.7
1249	L	33.5	Very low	35.9	Very low	174 Å²	174	122.3 Å²	122.3	91%	0.911	65%	0.649	S	S	*	*			trans	67.7	147.8	-158.7	-42.9	171.7	0	0	0	110.9
1250	Y	33.3	Very low	36.4	Very low	171 Å²	171	122.9 Å²	122.9	67%	0.671	65%	0.646	S	S	*	*			cis	-142.8	111.5	29.7	-176.7	-84.4	0	0	0	110.6	F524	F524-Y1250 WeakPolarHBondContact CE2-O 3.41Å; F524-Y1250 VanDerWaalsContact CZ-O 3.22Å; F524-Y1250 WeakPolarHBondContact CZ-O 3.49Å
1251	Y	30	Very low	36.9	Very low	163 Å²	163	120.7 Å²	120.7	64%	0.639	63%	0.629	S	S	*	*			trans	-127.6	108.7	-169.7	-97.5	-98.7	0	0	0	93.4	F524	F524-Y1251 VanDerWaalsContact CB-C 3.46Å; F524-Y1251 HydrophobicContact CB-CD1 4.34Å; F524-Y1251 HydrophobicContact CB-CG 4.45Å; F524-Y1251 AromaticContact CD1-CG 3.85Å; F524-Y1251 HydrophobicContact CD1-CG 3.85Å; F524-Y1251 VanDerWaalsContact CD1-N 3.35Å; F524-Y1251 WeakPolarHBondContact CD1-O 3.4Å; F524-Y1251 AromaticContact CD2-CD1 3.15Å; F524-Y1251 HydrophobicContact CD2-CD1 3.15Å; F524-Y1251 AromaticContact CD2-CD2 3.76Å; F524-Y1251 HydrophobicContact CD2-CD2 3.76Å; F524-Y1251 HydrophobicContact CD2-CE1 4.27Å; F524-Y1251 AromaticContact CD2-CG 2.77Å; F524-Y1251 HydrophobicContact CD2-CG 2.77Å; F524-Y1251 HydrophobicContact CE1-CD2 4.27Å; F524-Y1251 AromaticContact CE1-CG 3.75Å; F524-Y1251 HydrophobicContact CE1-CG 3.75Å; F524-Y1251 WeakPolarHBondContact CE1-O 3.45Å; F524-Y1251 AromaticContact CE2-CD1 3.59Å; F524-Y1251 HydrophobicContact CE2-CD1 3.59Å; F524-Y1251 AromaticContact CE2-CD2 2.97Å; F524-Y1251 HydrophobicContact CE2-CD2 2.97Å; F524-Y1251 HydrophobicContact CE2-CE2 4.04Å; F524-Y1251 AromaticContact CE2-CG 2.63Å; F524-Y1251 HydrophobicContact CE2-CG 2.63Å; F524-Y1251 AromaticContact CG-CD1 3.76Å; F524-Y1251 HydrophobicContact CG-CD1 3.76Å; F524-Y1251 AromaticContact CG-CG 3.43Å; F524-Y1251 HydrophobicContact CG-CG 3.43Å; F524-Y1251 VanDerWaalsContact CG-CG 3.43Å; F524-Y1251 WeakPolarHBondContact CG-O 3.45Å; F524-Y1251 HydrophobicContact CZ-CD1 4.44Å; F524-Y1251 AromaticContact CZ-CD2 3.26Å; F524-Y1251 HydrophobicContact CZ-CD2 3.26Å; F524-Y1251 AromaticContact CZ-CG 3.14Å; F524-Y1251 HydrophobicContact CZ-CG 3.14Å
1252	H	35.1	Very low	37.3	Very low	104 Å²	104	119.2 Å²	119.2	48%	0.481	61%	0.611	S	S	.	*			trans	169	176.6	159.4	-151.9	-95.7	0	0	0	110.2	K523 D525	K523-H1252 WeakPolarHBondContact CD-O 3.32Å; K523-H1252 WeakPolarHBondContact CE-O 3.43Å; K523-H1252 PolarHBondContact NZ-O 3.21Å; D525-H1252 IonicContact OD1-CD2 3.69Å; D525-H1252 IonicContact OD2-CD2 3.15Å; D525-H1252 PolarHBondContact OD2-CD2 3.47Å; D525-H1252 IonicContact OD2-NE2 3.83Å
1253	M	37.2	Very low	37.9	Very low	127 Å²	127	114.4 Å²	114.4	63%	0.626	60%	0.599	S	S	*	*			trans	78.4	101.1	179.3	-160.6	-174.5	-66.7	0	0	114.2	K523	K523-M1253 VanDerWaalsContact CD-O 3.28Å; K523-M1253 WeakPolarHBondContact CD-O 3.37Å; K523-M1253 VanDerWaalsContact CE-O 3.25Å; K523-M1253 WeakPolarHBondContact CE-O 3.42Å; K523-M1253 PolarHBondContact NZ-O 3.39Å
1254	N	32.6	Very low	38.3	Very low	38 Å²	38	115.9 Å²	115.9	20%	0.203	59%	0.587	C	S	.	*			trans	-138	150.4	-144.4	-97.1	3.5	0	0	0	110.8	M522 K523 T1256	M522-N1254 HydrophobicContact CB-CB 3.73Å; M522-N1254 WeakPolarHBondContact CB-OD1 3.22Å; M522-N1254 HydrophobicContact CE-CB 3.7Å; M522-N1254 HydrophobicContact CG-CB 3.81Å; M522-N1254 HydrophobicContact SD-CB 3.55Å; M522-N1254 VanDerWaalsContact SD-CB 3.55Å; M522-N1254 PolarHBondContact SD-ND2 2.87Å; M522-N1254 VanDerWaalsContact SD-ND2 3.38Å; K523-N1254 VanDerWaalsContact CA-OD1 3.32Å; K523-N1254 WeakPolarHBondContact CA-OD1 3.44Å; K523-N1254 WeakPolarHBondContact CB-OD1 3.44Å; K523-N1254 WeakPolarHBondContact CG-OD1 3.12Å; K523-N1254 PolarHBondContact N-OD1 2.77Å; K523-N1254 PolarHBondContact O-ND2 3.2Å; K523-N1254 PolarHBondContact O-OD1 2.85Å; N1254-T1256 PolarHBondContact O-OG1 3.12Å
1255	Q	32.8	Very low	38.4	Very low	67 Å²	67	114.6 Å²	114.6	31%	0.313	57%	0.57	S	S	.	*			trans	33.3	101.9	-177.8	-90.2	158.5	30.1	0	0	114.9	E521 M522	E521-Q1255 HydrophobicContact CB-CB 4.23Å; E521-Q1255 HydrophobicContact CB-CG 3.43Å; E521-Q1255 VanDerWaalsContact CB-CG 3.43Å; E521-Q1255 HydrophobicContact CG-CG 4.4Å; E521-Q1255 PolarHBondContact O-NE2 3.38Å; M522-Q1255 HydrophobicContact CE-CB 3.61Å; M522-Q1255 VanDerWaalsContact CE-CD 3.49Å; M522-Q1255 HydrophobicContact CE-CG 3.87Å; M522-Q1255 HydrophobicContact CG-CB 3.9Å; M522-Q1255 HydrophobicContact CG-CG 3.45Å; M522-Q1255 VanDerWaalsContact CG-CG 3.45Å; M522-Q1255 HydrophobicContact SD-CG 4.39Å
1256	T	41.4	Very low	38.6	Very low	81 Å²	81	115 Å²	115	50%	0.497	57%	0.569	S	S	.	*			trans	-157.1	-9	169	-10	0	0	0	0	116.5	E521 N1254 I1260	E521-T1256 PolarHBondContact OE1-N 2.92Å; N1254-T1256 PolarHBondContact O-OG1 3.12Å; T1256-I1260 WeakPolarHBondContact O-CD1 3.35Å
1257	M	42.3	Very low	38.4	Very low	166 Å²	166	113.6 Å²	113.6	82%	0.818	57%	0.567	S	S	*	*	S	Bend	trans	-113	-12.5	-173.9	-70	-64.3	-80.4	0	0	115.1	E521	E521-M1257 PolarHBondContact OE1-N 2.89Å
1258	D	39.2	Very low	38.4	Very low	95 Å²	95	115.7 Å²	115.7	51%	0.508	57%	0.571	S	S	.	*	S	Bend	trans	-98.7	1.9	172.7	-130.4	-63.7	0	0	0	112.5	E521 K1081	E521-D1258 HydrophobicContact CG-CB 4.38Å; E521-D1258 WeakPolarHBondContact OE2-CB 3.4Å; E521-D1258 PolarHBondContact OE2-N 3.41Å; K1081-D1258 VanDerWaalsContact CE-O 3.26Å; K1081-D1258 WeakPolarHBondContact CE-O 3.49Å; K1081-D1258 PolarHBondContact NZ-O 2.78Å; K1081-D1258 IonicContact NZ-OD1 2.7Å; K1081-D1258 PolarHBondContact NZ-OD1 3.46Å
1259	T	45	Very low	38.6	Very low	44 Å²	44	117 Å²	117	27%	0.27	57%	0.571	S	S	.	*	S	Bend	trans	-106.1	-36.1	-177.3	-78.4	0	0	0	0	113.5	P1082	P1082-T1259 HydrophobicContact CG-CG2 3.53Å; P1082-T1259 WeakPolarHBondContact CG-OG1 3.49Å
1260	I	49.1	Very low	38.8	Very low	107 Å²	107	114.8 Å²	114.8	55%	0.549	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70	137.6	-178.6	-64.9	174.6	0	0	0	110.4	T1256 H1262	T1256-I1260 WeakPolarHBondContact O-CD1 3.35Å; I1260-H1262 PolarHBondContact O-N 3.46Å
1261	K	40.4	Very low	39	Very low	109 Å²	109	115 Å²	115	47%	0.474	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	59.8	6.1	175	-70.1	176	172.1	-176.2	0	116.8	H1079 M1080 Q1263 Q1264	H1079-K1261 PolarHBondContact CE1-O 3.11Å; H1079-K1261 PolarHBondContact ND1-O 3.11Å; H1079-K1261 PolarHBondContact NE2-O 2.84Å; M1080-K1261 WeakPolarHBondContact CE-O 3.44Å; K1261-Q1263 PolarHBondContact O-N 3.47Å; K1261-Q1264 HydrophobicContact CB-CB 4.09Å; K1261-Q1264 HydrophobicContact CD-CG 4.31Å; K1261-Q1264 HydrophobicContact CG-CB 3.97Å; K1261-Q1264 HydrophobicContact CG-CG 4.04Å
1262	H	47	Very low	39.4	Very low	64 Å²	64	117.4 Å²	117.4	30%	0.296	58%	0.579	S	S	.	*	S	Bend		-74.8	24.3	123.7	-105.4	49.7	0	0	0	112.3	H1079 M1080 K1081 I1260	H1079-H1262 AromaticContact CD2-CE1 3.61Å; H1079-H1262 AromaticContact CD2-ND1 3.41Å; H1079-H1262 PolarHBondContact CD2-ND1 2.94Å; H1079-H1262 AromaticContact CG-ND1 3.89Å; M1080-H1262 CarbonylContact C-O 3.47Å; M1080-H1262 WeakPolarHBondContact CA-CD2 3.34Å; M1080-H1262 VanDerWaalsContact CA-O 3.23Å; M1080-H1262 WeakPolarHBondContact CA-O 3.42Å; M1080-H1262 WeakPolarHBondContact CG-O 3.32Å; M1080-H1262 PolarHBondContact N-CD2 3.29Å; M1080-H1262 PolarHBondContact N-NE2 3.13Å; M1080-H1262 PolarHBondContact O-CD2 3.06Å; M1080-H1262 VanDerWaalsContact O-CD2 3.23Å; K1081-H1262 HydrophobicContact CB-CB 3.79Å; K1081-H1262 HydrophobicContact CG-CB 3.65Å; K1081-H1262 WeakPolarHBondContact CG-CD2 3.47Å; K1081-H1262 VanDerWaalsContact N-CB 3.33Å; K1081-H1262 PolarHBondContact N-CD2 3.24Å; K1081-H1262 VanDerWaalsContact N-CD2 3.33Å; K1081-H1262 PolarHBondContact N-O 3.43Å; I1260-H1262 PolarHBondContact O-N 3.46Å
1263	Q	46.7	Very low	39.8	Very low	146 Å²	146	119 Å²	119	68%	0.682	60%	0.596	S	S	*	*	S	Bend	trans	-131.7	93.7	145.3	-73.3	-177.2	-13.9	0	0	111.6	K1261	K1261-Q1263 PolarHBondContact O-N 3.47Å
1264	Q	43.5	Very low	39.4	Very low	105 Å²	105	121.8 Å²	121.8	49%	0.491	61%	0.605	S	S	.	*			trans	-169.6	22.1	-174.5	-144.5	-172.3	-0.3	0	0	114.4	M1080 K1261	M1080-Q1264 HydrophobicContact CE-CB 4.22Å; M1080-Q1264 PolarHBondContact SD-N 2.91Å; K1261-Q1264 HydrophobicContact CB-CB 4.09Å; K1261-Q1264 HydrophobicContact CD-CG 4.31Å; K1261-Q1264 HydrophobicContact CG-CB 3.97Å; K1261-Q1264 HydrophobicContact CG-CG 4.04Å
1265	Q	39.4	Very low	39.8	Very low	94 Å²	94	128.8 Å²	128.8	44%	0.439	65%	0.653	S	S	.	*	S	Bend	trans	-116.9	-5.8	176.1	-170.1	-177.8	-170.3	0	0	112.1	L1078 H1079 M1080	L1078-Q1265 VanDerWaalsContact C-NE2 3.25Å; L1078-Q1265 HydrophobicContact CB-CB 4.08Å; L1078-Q1265 HydrophobicContact CB-CG 3.61Å; L1078-Q1265 HydrophobicContact CD1-CG 4.1Å; L1078-Q1265 HydrophobicContact CG-CG 4.5Å; L1078-Q1265 PolarHBondContact O-NE2 2.79Å; H1079-Q1265 WeakPolarHBondContact O-CB 3.29Å; H1079-Q1265 PolarHBondContact O-NE2 3.31Å; M1080-Q1265 HydrophobicContact CE-CB 4.09Å; M1080-Q1265 HydrophobicContact SD-CB 3.42Å; M1080-Q1265 WeakPolarHBondContact SD-CB 3.3Å; M1080-Q1265 PolarHBondContact SD-N 3.19Å
1266	Q	34.9	Very low	40.2	Very low	168 Å²	168	131.9 Å²	131.9	79%	0.785	67%	0.669	S	S	*	*	S	Bend	trans	-117	145.6	169.7	-66.6	177.8	-10.4	0	0	107.1
1267	N	34.6	Very low	40.1	Very low	151 Å²	151	134.5 Å²	134.5	81%	0.807	68%	0.679	S	S	*	*	S	Bend	trans	67.7	68.7	-171.5	-51.4	-17.8	0	0	0	115.1
1268	H	37.1	Very low	40	Very low	192 Å²	192	132.8 Å²	132.8	89%	0.889	67%	0.671	S	S	*	*			trans	-152.4	68.2	132.4	-106.5	-62.9	0	0	0	109.9
1269	S	34.7	Very low	40	Very low	91 Å²	91	135 Å²	135	64%	0.636	68%	0.68	S	S	*	*			trans	-67.3	160.6	149.7	50.5	0	0	0	0	109.4
1270	D	39.5	Very low	39.7	Very low	128 Å²	128	140.7 Å²	140.7	68%	0.684	71%	0.706	S	S	*	*			trans	53.1	94	168	-55.6	-58.3	0	0	0	117.2
1271	L	37.6	Very low	39.1	Very low	174 Å²	174	142.9 Å²	142.9	91%	0.911	72%	0.717	S	S	*	*				-155.6	135.1	104.4	-104.7	162.1	0	0	0	111.4
1272	R	36.9	Very low	39	Very low	214 Å²	214	145.4 Å²	145.4	81%	0.808	73%	0.734	S	S	*	*			trans	-80.2	158.3	166.9	-53	177.5	-164.4	179.7	5.2	106.9
1273	V	43.7	Very low	38.4	Very low	137 Å²	137	151.6 Å²	151.6	83%	0.83	77%	0.768	S	S	*	*				-166.2	144.8	75.6	154.5	0	0	0	0	109.4
1274	F	29.5	Very low	37.7	Very low	187 Å²	187	152.1 Å²	152.1	82%	0.82	78%	0.775	S	S	*	*			trans	-82.6	158.2	172.3	-89.5	-102.1	0	0	0	111.3
1275	P	40.9	Very low	37.2	Very low	184 Å²	184	156.4 Å²	156.4	100%	1.195	80%	0.8	S	S	*	*				-109	0	86.4	33.3	-37.1	0	0	0	114.8

Retrieved 1,275 of 1,275 residues in 1494.1 ms (Link to these results)

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