A0A3Q0KVC3_SCHMA Loading...

VASt domain-containing protein

AlphaFold DB (A0A5K4F0I5), UniProt , Accession A0A3Q0KVC3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,011 aa.

						>A0A3Q0KVC3_SCHMA|A0A3Q0KVC3
MNETQFLSSATETDSNFKSPHLSTSCSHLPVKFTFCEPDLEDSDDSRHLAEVSISNDLVGTKRIDDRFDDNDSKRPVMPSVLGPNVLKNTLSNSFASIPNHIRSAECENKQHNTSKQSCQNNAINSLLTSKTSLSSSSSILGSHKLHQSNQNIPLIGLRSSSNLTISSLSTVQSRHIVESSSTSALSSQNVSKPSRSRPRRFANLYSSLTPSYRTKLEQFRRIFRDTPVDTERLLDSFLFSSHYSCALSKNNNGLLLQGRMYITETWVCFYSKILYEQKIFLAVNEIVAITKEKTARVIPNAIQILYSKNHERFFFTSFASRERSYAILRKVWENCRNHQTLVQINQTMSIDEILQQIRDMYGDYSLAMVEDEEDTDGDAELVPTTFPHRPRTLSDSSLSSQLTGRSKSASLEDVCHSDQPVNLDRSSKCSVLGTTDDELKVVSDADIPFKRVPSFSDPSHFSTIGDEPKSQQLNTIKRCTTPEVKCHLTSGTTPNEVMSDSFQVPHKSVKEKKKRTRKKRLGSHHHDEVSNSKLMQPNYLSTHDPSPPDTSVVSSVEPPITCGPGHDHPGRVYANTDIPLNVNALFRCIFTDSEFFSRFSEHRGTFGMIQSPWPVFKWSSPSECLNQLETSSKIERTITYTLTLKQKLGPRTCTAVEQQTLLPSESISGKRYIIDAKVTNHAVPLSNCFYVVSRYCLLYVNRTTSRLHVSSQVIYEKPVFFGAKSIIENTCHSGLSDFFDTITIKLKEFATNLSLEERLTGGWLTQQRGYLNNITPPLNPSNIQNNSLLIQSVNGNQNNRKLNKADAFFTGNVNSNKVPASRYSDQAKSSIFNSCINDNTNVKKQNKTTLFGSGDMTYLFMRPDRAWLLLVIIGLLLCLFLSMVYNRLVVLEKLAEQFPPLSARDRNHFQDLFGTSPQEDRGSIPIYKDHLASKSPEWARTRLKVMKDLIHLLSKTLIQMQQTLTQVQQGIELLEFPPSNLEDNIKTSMNVKTPTNTDTNCPDTQTKHVP
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.4	Very low	35.9	Very low	235 Å²	235	141.9 Å²	141.9	100%	1.158	79%	0.788	S	S	*	*				0	102.8	0	-69.3	179.9	179.4	0	0	109.4
2	N	33.1	Very low	35.8	Very low	126 Å²	126	144.8 Å²	144.8	67%	0.674	79%	0.791	S	S	*	*			cis	-153.5	141	-43.4	-102.9	33.3	0	0	0	106.2
3	E	32.5	Very low	35.8	Very low	161 Å²	161	142.2 Å²	142.2	75%	0.752	78%	0.783	S	S	*	*			trans	39.6	128.3	134.9	-53.8	171.2	118	0	0	119.1
4	T	39.6	Very low	35.7	Very low	141 Å²	141	142.4 Å²	142.4	87%	0.865	78%	0.782	S	S	*	*				-156	157.2	64	16.5	0	0	0	0	113.5
5	Q	36.8	Very low	35.9	Very low	150 Å²	150	139 Å²	139	70%	0.701	77%	0.773	S	S	*	*			trans	-102.3	154.1	174	-59	172	-15.1	0	0	111	L7	Q5-L7 HydrophobicContact CB-CG 4.48Å
6	F	40.7	Very low	35.7	Very low	199 Å²	199	138.3 Å²	138.3	87%	0.873	77%	0.767	S	S	*	*			trans	-148.5	115.2	135.7	-89.1	-81.7	0	0	0	105.8
7	L	37.5	Very low	35.8	Very low	125 Å²	125	142.9 Å²	142.9	65%	0.654	78%	0.778	S	S	*	*				67.2	132.9	59.6	-60.9	168.9	0	0	0	112.9	Q5	Q5-L7 HydrophobicContact CB-CG 4.48Å
8	S	34.1	Very low	35.8	Very low	93 Å²	93	144.8 Å²	144.8	65%	0.65	78%	0.777	S	S	*	*			cis	-170.1	148.9	-11.4	49.7	0	0	0	0	112.6
9	S	32.7	Very low	35.9	Very low	109 Å²	109	141.2 Å²	141.2	76%	0.762	77%	0.765	S	S	*	*			trans	35.2	127.4	143.9	63.5	0	0	0	0	122.9
10	A	39.4	Very low	36.1	Very low	103 Å²	103	140.4 Å²	140.4	85%	0.851	77%	0.767	S	S	*	*			trans	-149.1	151.5	131.7	0	0	0	0	0	109.2
11	T	33.3	Very low	36.2	Very low	119 Å²	119	140.6 Å²	140.6	73%	0.73	76%	0.762	S	S	*	*			trans	-141.8	166.3	-167.7	45.8	0	0	0	0	112.5
12	E	34.5	Very low	36.3	Very low	177 Å²	177	137 Å²	137	83%	0.827	75%	0.747	S	S	*	*			trans	70.7	152.4	163.8	-66.9	167.4	178.9	0	0	116.1
13	T	35.6	Very low	36.2	Very low	111 Å²	111	135.2 Å²	135.2	68%	0.681	75%	0.745	S	S	*	*			cis	-156.5	159	-2.8	7.8	0	0	0	0	111.4
14	D	34.6	Very low	36.4	Very low	145 Å²	145	132.5 Å²	132.5	78%	0.775	74%	0.739	S	S	*	*			trans	61.5	154.7	149	-78	-41	0	0	0	122.2
15	S	37.8	Very low	36.1	Very low	91 Å²	91	130.3 Å²	130.3	64%	0.636	73%	0.73	S	S	*	*			cis	-159.1	157.4	-14.3	53.3	0	0	0	0	113.9
16	N	34.1	Very low	36	Very low	128 Å²	128	128.5 Å²	128.5	68%	0.684	73%	0.732	S	S	*	*			trans	36.2	119.2	147.8	-69.2	-60.2	0	0	0	122.4
17	F	37.2	Very low	35.5	Very low	217 Å²	217	123.3 Å²	123.3	95%	0.952	72%	0.72	S	S	*	*				-145.1	160.1	114.7	-133.7	-94.3	0	0	0	111.4
18	K	35	Very low	35.4	Very low	176 Å²	176	126 Å²	126	77%	0.765	73%	0.729	S	S	*	*			trans	-99.6	152.4	-154.8	-78.4	-177.6	175.1	176.4	0	117.8
19	S	37.8	Very low	35.3	Very low	77 Å²	77	128.6 Å²	128.6	54%	0.538	74%	0.735	S	S	.	*			trans	-61.5	171.6	159.4	64.6	0	0	0	0	112.9	H21	S19-H21 PolarHBondContact OG-CD2 3.48Å; S19-H21 PolarHBondContact OG-NE2 3Å
20	P	41.1	Very low	35.3	Very low	124 Å²	124	129.3 Å²	129.3	81%	0.805	74%	0.737	S	S	*	*				-147.8	-177.8	71.5	35.7	-14.9	0	0	0	115.3
21	H	37.5	Very low	35	Very low	146 Å²	146	129.6 Å²	129.6	68%	0.676	73%	0.728	S	S	*	*			cis	-171.8	178.2	-46.3	-104.1	-68	0	0	0	108	S19	S19-H21 PolarHBondContact OG-CD2 3.48Å; S19-H21 PolarHBondContact OG-NE2 3Å
22	L	36.9	Very low	34.7	Very low	159 Å²	159	132.8 Å²	132.8	83%	0.832	73%	0.732	S	S	*	*			trans	80.2	148.9	164.9	-62.2	110.1	0	0	0	119.7
23	S	32.3	Very low	34.5	Very low	89 Å²	89	132.6 Å²	132.6	62%	0.622	73%	0.729	S	S	*	*				170.3	130.2	-61.9	52.2	0	0	0	0	112.7
24	T	36.1	Very low	34.2	Very low	104 Å²	104	132.7 Å²	132.7	64%	0.638	73%	0.729	S	S	*	*			trans	169	163	148.4	21.8	0	0	0	0	109.5	D396	T24-D396 PolarHBondContact OG1-OD2 2.87Å
25	S	33.3	Very low	33.9	Very low	95 Å²	95	134.8 Å²	134.8	66%	0.664	73%	0.732	S	S	*	*				-156.4	174.8	-53.1	57.6	0	0	0	0	111.5
26	C	33.6	Very low	33.5	Very low	112 Å²	112	135.7 Å²	135.7	76%	0.757	74%	0.737	S	S	*	*			trans	73.8	89.1	165	-67.6	0	0	0	0	121.8
27	S	30.3	Very low	33.6	Very low	89 Å²	89	138.1 Å²	138.1	62%	0.622	74%	0.744	S	S	*	*				42.7	122.1	120.6	58.9	0	0	0	0	122.5
28	H	36.6	Very low	33.4	Very low	181 Å²	181	133 Å²	133	84%	0.838	73%	0.732	S	S	*	*				-164.7	158.1	94.8	-103.1	-77.9	0	0	0	111.8
29	L	31.4	Very low	33.3	Very low	148 Å²	148	131.9 Å²	131.9	78%	0.775	74%	0.735	S	S	*	*			trans	-91.5	144.1	-168.7	-62.6	87.5	0	0	0	114.2	V31	L29-V31 PolarHBondContact O-N 3.07Å
30	P	33.1	Very low	33.1	Very low	124 Å²	124	135.9 Å²	135.9	81%	0.805	75%	0.749	S	S	*	*			trans	-81.9	108	160.4	32.4	-30.1	0	0	0	110.6	K32	P30-K32 PolarHBondContact O-N 2.59Å
31	V	32.1	Very low	32.9	Very low	109 Å²	109	138.9 Å²	138.9	66%	0.661	75%	0.753	S	S	*	*			trans	-74.2	113.2	177.1	-175.8	0	0	0	0	110.5	L29 F33	L29-V31 PolarHBondContact O-N 3.07Å; V31-F33 HydrophobicContact CG1-CD2 3.65Å; V31-F33 HydrophobicContact CG1-CE2 3.45Å; V31-F33 VanDerWaalsContact CG1-CE2 3.45Å; V31-F33 HydrophobicContact CG1-CG 4.44Å; V31-F33 HydrophobicContact CG1-CZ 4.11Å; V31-F33 PolarHBondContact O-N 3.22Å
32	K	27.5	Very low	32.6	Very low	187 Å²	187	140.1 Å²	140.1	81%	0.813	76%	0.764	S	S	*	*			trans	-88.2	79.7	-175.8	-171	-176.2	179.8	-176.3	0	111.6	P30 T34	P30-K32 PolarHBondContact O-N 2.59Å; K32-T34 PolarHBondContact O-N 2.85Å
33	F	30.3	Very low	32.7	Very low	173 Å²	173	138.2 Å²	138.2	76%	0.759	76%	0.764	S	S	*	*			trans	-79.6	95.3	171	-81	-66.2	0	0	0	111.9	V31 F35	V31-F33 HydrophobicContact CG1-CD2 3.65Å; V31-F33 HydrophobicContact CG1-CE2 3.45Å; V31-F33 VanDerWaalsContact CG1-CE2 3.45Å; V31-F33 HydrophobicContact CG1-CG 4.44Å; V31-F33 HydrophobicContact CG1-CZ 4.11Å; V31-F33 PolarHBondContact O-N 3.22Å; F33-F35 PolarHBondContact O-N 3.47Å
34	T	28.9	Very low	32.8	Very low	113 Å²	113	141.2 Å²	141.2	69%	0.693	77%	0.773	S	S	*	*			trans	-71.7	111.1	157	38.8	0	0	0	0	109.4	K32	K32-T34 PolarHBondContact O-N 2.85Å
35	F	30	Very low	32.9	Very low	189 Å²	189	143.1 Å²	143.1	83%	0.829	78%	0.779	S	S	*	*			trans	-81.3	115.9	159.8	-92.1	-96.2	0	0	0	108.5	F33	F33-F35 PolarHBondContact O-N 3.47Å
36	C	28.4	Very low	32.9	Very low	110 Å²	110	142.4 Å²	142.4	74%	0.743	77%	0.774	S	S	*	*			trans	-83.6	131.3	153.6	-60.8	0	0	0	0	107.2
37	E	35.2	Very low	32.8	Very low	179 Å²	179	147.3 Å²	147.3	84%	0.836	78%	0.777	S	S	*	*			trans	-74.5	127.4	160.1	-72.1	172.4	118.3	0	0	107.2	D39	E37-D39 PolarHBondContact O-N 2.91Å
38	P	33.6	Very low	33	Very low	108 Å²	108	150.1 Å²	150.1	70%	0.701	78%	0.78	S	S	*	*			trans	-86	101.7	167.7	31.9	-27.8	0	0	0	108.4	L40	P38-L40 PolarHBondContact O-N 2.77Å
39	D	32.6	Very low	32.7	Very low	153 Å²	153	148.9 Å²	148.9	82%	0.818	78%	0.779	S	S	*	*			trans	-62.5	123.7	161.1	-67.8	-54.4	0	0	0	108.2	E37	E37-D39 PolarHBondContact O-N 2.91Å
40	L	34.5	Very low	32.7	Very low	161 Å²	161	145.8 Å²	145.8	84%	0.843	78%	0.775	S	S	*	*			trans	-117.4	94.2	175.8	-89.2	165.4	0	0	0	108.1	P38	P38-L40 PolarHBondContact O-N 2.77Å
41	E	36.2	Very low	32.6	Very low	188 Å²	188	148 Å²	148	88%	0.879	77%	0.774	S	S	*	*			trans	-89.7	149	165	-64.5	-170	130.7	0	0	109.9
42	D	32.5	Very low	32.6	Very low	172 Å²	172	150.1 Å²	150.1	92%	0.92	79%	0.787	S	S	*	*			trans	-71.9	140.1	-177.5	-59.3	-71.1	0	0	0	113
43	S	38.3	Very low	32.9	Very low	119 Å²	119	145.7 Å²	145.7	83%	0.832	78%	0.78	S	S	*	*			trans	-159.9	136.2	146.9	-169.5	0	0	0	0	111.3
44	D	35	Very low	33.1	Very low	151 Å²	151	144.8 Å²	144.8	81%	0.807	78%	0.781	S	S	*	*			trans	-65.8	150	169.6	-60.2	-80.9	0	0	0	111.8
45	D	37.3	Very low	33.4	Very low	144 Å²	144	143.8 Å²	143.8	77%	0.77	78%	0.778	S	S	*	*				-167.7	133.7	100.2	-134.7	-21.7	0	0	0	115.5
46	S	34.1	Very low	33.5	Very low	80 Å²	80	140.8 Å²	140.8	56%	0.559	77%	0.771	S	S	*	*			trans	29.3	110	138	-66.8	0	0	0	0	122.5
47	R	31.8	Very low	33.9	Very low	215 Å²	215	141.7 Å²	141.7	81%	0.811	77%	0.769	S	S	*	*				142.4	144.5	97.9	-92.8	162.3	-164.7	173.5	5.7	118.9
48	H	34.3	Very low	33.8	Very low	148 Å²	148	140 Å²	140	69%	0.685	76%	0.764	S	S	*	*			trans	76.5	109.5	150	-67.5	-51.7	0	0	0	123.2
49	L	29.8	Very low	33.7	Very low	156 Å²	156	140.9 Å²	140.9	82%	0.817	77%	0.768	S	S	*	*				65.8	143.1	127.5	-60.4	168.3	0	0	0	119.3
50	A	32.1	Very low	33.8	Very low	83 Å²	83	137.3 Å²	137.3	69%	0.686	77%	0.767	S	S	*	*			cis	-145.6	135	-1.1	0	0	0	0	0	107.7
51	E	29.6	Very low	33.5	Very low	171 Å²	171	136 Å²	136	80%	0.799	77%	0.766	S	S	*	*				66.3	101	77.7	-168.1	179.4	-132.4	0	0	115.6
52	V	33.6	Very low	33.3	Very low	152 Å²	152	136.6 Å²	136.6	92%	0.921	77%	0.765	S	S	*	*			trans	-140.6	151.4	143.2	-179.2	0	0	0	0	106.6
53	S	32.2	Very low	33.1	Very low	95 Å²	95	139.5 Å²	139.5	66%	0.664	76%	0.764	S	S	*	*			trans	-126.5	-160.2	-155.7	-167.4	0	0	0	0	114
54	I	36.1	Very low	32.8	Very low	154 Å²	154	140.6 Å²	140.6	79%	0.79	76%	0.759	S	S	*	*			trans	89.2	123.4	168.1	-52.4	167.8	0	0	0	115.1
55	S	33.9	Very low	32.8	Very low	91 Å²	91	140.1 Å²	140.1	64%	0.636	76%	0.756	S	S	*	*			cis	-169.2	149.4	-18.4	-116	0	0	0	0	114.1
56	N	33.3	Very low	32.5	Very low	126 Å²	126	138.6 Å²	138.6	67%	0.674	75%	0.748	S	S	*	*			trans	81.5	145.5	134.7	-79	51.6	0	0	0	125.7
57	D	36.5	Very low	32.3	Very low	129 Å²	129	144.3 Å²	144.3	69%	0.69	76%	0.757	S	S	*	*			trans	77.9	131.2	145.5	-64.2	-0.1	0	0	0	121.6
58	L	33.1	Very low	32.5	Very low	143 Å²	143	143 Å²	143	75%	0.749	76%	0.758	S	S	*	*			cis	-159.2	133.7	-11.9	-163	66.2	0	0	0	114.1
59	V	31.3	Very low	32.5	Very low	127 Å²	127	142.5 Å²	142.5	77%	0.77	76%	0.76	S	S	*	*			trans	35.4	137.6	150.5	-179.6	0	0	0	0	122.2
60	G	33.7	Very low	32.9	Very low	78 Å²	78	141.6 Å²	141.6	80%	0.804	76%	0.756	S	S	*	*			trans	-164.6	24.8	165	0	0	0	0	0	117.1
61	T	27.9	Very low	33.1	Very low	133 Å²	133	143.6 Å²	143.6	82%	0.816	76%	0.755	S	S	*	*			trans	-100.5	139.9	-172.3	43.3	0	0	0	0	114.4
62	K	33.6	Very low	33.5	Very low	201 Å²	201	141.6 Å²	141.6	87%	0.874	75%	0.75	S	S	*	*			trans	-152.3	107.2	158.2	-152.2	171.9	-174.3	-176.4	0	113.3
63	R	26.8	Very low	33.6	Very low	233 Å²	233	138.4 Å²	138.4	88%	0.879	73%	0.734	S	S	*	*			trans	-87.8	161.5	147.8	-67.8	178.2	177.5	160.8	-1.6	107.8
64	I	32.2	Very low	33.8	Very low	142 Å²	142	143.1 Å²	143.1	73%	0.728	74%	0.743	S	S	*	*			trans	174.4	153	139.5	-94.9	155.5	0	0	0	110.2
65	D	34.9	Very low	33.6	Very low	141 Å²	141	146.4 Å²	146.4	75%	0.754	75%	0.745	S	S	*	*			trans	102.6	86.6	167.1	-64.3	-35.7	0	0	0	120.6
66	D	31.5	Very low	33.6	Very low	113 Å²	113	148 Å²	148	60%	0.604	75%	0.754	S	S	*	*				51.6	128.7	110.8	-95.8	38.1	0	0	0	123.7
67	R	31.1	Very low	33.6	Very low	199 Å²	199	147.8 Å²	147.8	75%	0.751	76%	0.757	S	S	*	*			trans	67.9	130.6	150.2	-52.6	165.3	-156.7	-162.5	3.9	117
68	F	35.8	Very low	33.3	Very low	188 Å²	188	149.8 Å²	149.8	83%	0.825	76%	0.764	S	S	*	*			cis	-151.6	178.1	49.9	-114.6	-79.8	0	0	0	113.2
69	D	34.4	Very low	33.4	Very low	137 Å²	137	148.6 Å²	148.6	73%	0.733	77%	0.765	S	S	*	*			trans	-80.9	161.6	-168.4	-56.1	-85.5	0	0	0	117.2
70	D	38.4	Very low	33.3	Very low	137 Å²	137	147.5 Å²	147.5	73%	0.733	76%	0.763	S	S	*	*			trans	87.5	134.3	134.4	-119.7	9.3	0	0	0	123.2
71	N	36.1	Very low	33.3	Very low	125 Å²	125	150.3 Å²	150.3	67%	0.668	76%	0.764	S	S	*	*			trans	63.5	138	162.2	-57.3	-57	0	0	0	119.3
72	D	36.5	Very low	33.5	Very low	130 Å²	130	151.8 Å²	151.8	70%	0.695	77%	0.766	S	S	*	*			cis	-144.8	153.6	4.6	-150	-19.7	0	0	0	113.8
73	S	37.4	Very low	33.3	Very low	84 Å²	84	145.5 Å²	145.5	59%	0.587	76%	0.759	S	S	*	*			trans	20.5	142.7	155.3	-67.3	0	0	0	0	123.2
74	K	34.9	Very low	33.8	Very low	194 Å²	194	139.8 Å²	139.8	84%	0.843	75%	0.752	S	S	*	*			cis	-171.1	156.5	-23.9	-121.7	158.8	-167.5	155.3	0	108.9
75	R	32.5	Very low	33.8	Very low	223 Å²	223	139.9 Å²	139.9	84%	0.842	75%	0.753	S	S	*	*			trans	-85.1	164	173.2	-52.2	-178.8	-171	178.4	3	110.9	V77	R75-V77 HydrophobicContact CB-CG2 4.43Å
76	P	34.3	Very low	33.7	Very low	125 Å²	125	139 Å²	139	81%	0.812	75%	0.753	S	S	*	*				-125.7	159.4	85.3	6.4	16.4	0	0	0	112.2
77	V	32.3	Very low	33.7	Very low	121 Å²	121	140 Å²	140	73%	0.733	76%	0.758	S	S	*	*			cis	85.4	120.8	38	-178.8	0	0	0	0	114	R75	R75-V77 HydrophobicContact CB-CG2 4.43Å
78	M	31.4	Very low	33.8	Very low	171 Å²	171	138.6 Å²	138.6	84%	0.842	76%	0.757	S	S	*	*			trans	-8.3	152.5	155.2	-69.7	-62.9	179.2	0	0	118.6
79	P	34	Very low	33.6	Very low	118 Å²	118	136 Å²	136	77%	0.766	75%	0.752	S	S	*	*			cis	-146.8	-159	44.9	44.1	-23.6	0	0	0	116.8
80	S	28.8	Very low	33.6	Very low	105 Å²	105	135.4 Å²	135.4	73%	0.734	75%	0.753	S	S	*	*			trans	-68.4	159.7	176.1	49.7	0	0	0	0	114.6
81	V	34.9	Very low	33.4	Very low	136 Å²	136	135.8 Å²	135.8	82%	0.824	75%	0.754	S	S	*	*			trans	178.8	163.2	137.2	142.6	0	0	0	0	110.4
82	L	31.3	Very low	33.2	Very low	165 Å²	165	133.7 Å²	133.7	86%	0.864	75%	0.75	S	S	*	*			trans	-62.5	157.8	177.1	-61.6	69.9	0	0	0	113
83	G	30.5	Very low	33.2	Very low	69 Å²	69	131.4 Å²	131.4	71%	0.711	74%	0.737	S	S	*	*			trans	133.9	137.9	150.5	0	0	0	0	0	115
84	P	36.3	Very low	33.1	Very low	113 Å²	113	129.8 Å²	129.8	73%	0.734	73%	0.726	S	S	*	*			trans	-94.7	177.6	-177.5	38.4	-37	0	0	0	113.7
85	N	33.3	Very low	33.1	Very low	143 Å²	143	127.4 Å²	127.4	77%	0.765	72%	0.716	S	S	*	*			trans	93.3	117.7	149.9	-68.6	-27.9	0	0	0	120.7
86	V	32.6	Very low	33.2	Very low	122 Å²	122	121 Å²	121	74%	0.739	71%	0.71	S	S	*	*				107.8	136	113.9	156.5	0	0	0	0	120.4
87	L	31.1	Very low	33	Very low	135 Å²	135	120.3 Å²	120.3	71%	0.707	71%	0.709	S	S	*	*			trans	76.7	121.9	178	-59.6	168.1	0	0	0	116.1
88	K	32.8	Very low	33.1	Very low	169 Å²	169	122.5 Å²	122.5	74%	0.735	71%	0.714	S	S	*	*			cis	86.2	141	49.7	-78.6	-168.1	-153.7	167.3	0	112.8
89	N	32.6	Very low	33.1	Very low	135 Å²	135	119.8 Å²	119.8	72%	0.722	71%	0.71	S	S	*	*			cis	-111.4	-140.1	-10.2	-63.4	-66.2	0	0	0	108.7
90	T	33.1	Very low	33.1	Very low	123 Å²	123	121.3 Å²	121.3	76%	0.755	71%	0.712	S	S	*	*			cis	-163.8	160.6	-2.8	-10.1	0	0	0	0	105.5
91	L	33.7	Very low	33.2	Very low	146 Å²	146	124.8 Å²	124.8	76%	0.764	72%	0.716	S	S	*	*			cis	-126.9	160.8	5.5	-86.5	169.1	0	0	0	108.2
92	S	33.8	Very low	33.1	Very low	81 Å²	81	126.7 Å²	126.7	57%	0.566	72%	0.719	S	S	*	*				65.4	124.5	71.1	119.4	0	0	0	0	115
93	N	35	Very low	33.1	Very low	81 Å²	81	129.5 Å²	129.5	43%	0.433	72%	0.719	S	S	.	*			cis	-148.9	-173.1	14.2	-97.2	-52.1	0	0	0	113.6	E484 K486	N93-E484 WeakPolarHBondContact CB-OE1 3.4Å; N93-E484 WeakPolarHBondContact CB-OE2 3.42Å; N93-E484 PolarHBondContact N-OE1 2.73Å; N93-K486 PolarHBondContact OD1-NZ 2.95Å
94	S	35.4	Very low	33.1	Very low	50 Å²	50	131.7 Å²	131.7	35%	0.35	72%	0.723	S	S	.	*			trans	49.3	142	152.2	-53.1	0	0	0	0	122.2	E484	S94-E484 VanDerWaalsContact CB-CD 3.46Å; S94-E484 WeakPolarHBondContact CB-OE2 3.43Å; S94-E484 PolarHBondContact OG-OE2 3.17Å
95	F	36.3	Very low	32.9	Very low	144 Å²	144	130.8 Å²	130.8	63%	0.632	73%	0.725	S	S	*	*			cis	-169.6	157.2	-21.7	-105.6	-57.3	0	0	0	106.4	K486	F95-K486 HydrophobicContact CD2-CB 4.49Å; F95-K486 HydrophobicContact CE2-CB 3.71Å; F95-K486 HydrophobicContact CE2-CD 3.82Å; F95-K486 HydrophobicContact CE2-CG 3.58Å; F95-K486 HydrophobicContact CZ-CD 4.22Å; F95-K486 HydrophobicContact CZ-CG 4.05Å
96	A	33.7	Very low	32.7	Very low	88 Å²	88	132.4 Å²	132.4	73%	0.727	73%	0.728	S	S	*	*			cis	-144.1	160.1	-3.7	0	0	0	0	0	110.5
97	S	30.9	Very low	32.6	Very low	111 Å²	111	131.8 Å²	131.8	78%	0.776	73%	0.728	S	S	*	*			trans	-158.7	151.8	177	-179.2	0	0	0	0	109.6
98	I	33.1	Very low	32.7	Very low	167 Å²	167	132.7 Å²	132.7	86%	0.856	73%	0.728	S	S	*	*			trans	-134.8	125.3	174.4	-59.4	-175.4	0	0	0	109.6
99	P	32.9	Very low	32.6	Very low	115 Å²	115	129 Å²	129	75%	0.747	72%	0.717	S	S	*	*			trans	-121.8	-167.1	-168.4	44.1	-32.6	0	0	0	115
100	N	32.9	Very low	32.6	Very low	150 Å²	150	130 Å²	130	80%	0.802	72%	0.715	S	S	*	*			trans	-84.8	166.6	179	-82.2	-33.4	0	0	0	115.1
101	H	31.2	Very low	32.7	Very low	177 Å²	177	130.9 Å²	130.9	82%	0.819	71%	0.71	S	S	*	*			trans	75.3	135.1	164.2	-79.2	-74.9	0	0	0	120.4
102	I	32.3	Very low	32.9	Very low	176 Å²	176	130.3 Å²	130.3	90%	0.903	70%	0.703	S	S	*	*			trans	-162.7	171.4	132.3	-102.9	157.6	0	0	0	109.2
103	R	31	Very low	32.9	Very low	225 Å²	225	132.4 Å²	132.4	85%	0.849	71%	0.708	S	S	*	*			trans	-140	135.5	-161.4	177.6	-176.5	-177.7	-175.6	2.4	112.8
104	S	30.4	Very low	33	Very low	114 Å²	114	133.8 Å²	133.8	80%	0.797	72%	0.72	S	S	*	*			trans	41	130.7	154.2	-53.5	0	0	0	0	122.7
105	A	33.2	Very low	33	Very low	95 Å²	95	136.5 Å²	136.5	79%	0.785	74%	0.739	S	S	*	*			trans	-156.5	164.8	143.5	0	0	0	0	0	110.8
106	E	29.4	Very low	32.9	Very low	177 Å²	177	138 Å²	138	83%	0.827	75%	0.745	S	S	*	*			trans	-64.2	177.6	-176.8	-72	107.1	136	0	0	116.1
107	C	30.8	Very low	33	Very low	108 Å²	108	141.8 Å²	141.8	73%	0.73	75%	0.748	S	S	*	*			cis	-160.6	146.2	28.3	-147.5	0	0	0	0	117.9
108	E	31.3	Very low	33.1	Very low	154 Å²	154	140.8 Å²	140.8	72%	0.72	74%	0.74	S	S	*	*			trans	38.3	137.2	144.9	-77.6	-152.4	122.3	0	0	128.5
109	N	32.7	Very low	33	Very low	91 Å²	91	137.8 Å²	137.8	49%	0.487	73%	0.733	S	S	.	*				97.7	109.8	127.7	-85	-38.3	0	0	0	125.1
110	K	32.2	Very low	33.1	Very low	158 Å²	158	139.9 Å²	139.9	69%	0.687	73%	0.733	S	S	*	*			trans	67.7	140.5	130.7	-69.5	166.1	-177.8	133	0	120
111	Q	34.9	Very low	32.9	Very low	141 Å²	141	138.6 Å²	138.6	66%	0.659	73%	0.726	S	S	*	*			cis	-174.7	156.3	17.4	-124	164.7	-53.8	0	0	112.9
112	H	37.1	Very low	33	Very low	133 Å²	133	138 Å²	138	62%	0.616	73%	0.729	S	S	*	*			trans	76.4	116.7	145	-74.8	-45.8	0	0	0	126.3
113	N	34.5	Very low	32.9	Very low	125 Å²	125	134.3 Å²	134.3	67%	0.668	73%	0.725	S	S	*	*				70.8	148.9	121.3	-64.4	12	0	0	0	121.7
114	T	36.3	Very low	33.1	Very low	111 Å²	111	131.5 Å²	131.5	68%	0.681	73%	0.725	S	S	*	*			cis	-167	152.8	-12.2	21.4	0	0	0	0	111.9
115	S	35.5	Very low	33.1	Very low	106 Å²	106	134 Å²	134	74%	0.741	73%	0.729	S	S	*	*			trans	65.3	157	146.3	66.9	0	0	0	0	121.1
116	K	35.1	Very low	33.1	Very low	177 Å²	177	135.4 Å²	135.4	77%	0.77	73%	0.734	S	S	*	*			cis	-169.6	159.3	-25.3	-110.3	-177.1	176.7	-179.1	0	110
117	Q	35.9	Very low	33.1	Very low	167 Å²	167	134.3 Å²	134.3	78%	0.78	73%	0.733	S	S	*	*			trans	64.5	157	154	-74.6	167.4	-93.9	0	0	119.7
118	S	31.9	Very low	33.2	Very low	89 Å²	89	137.5 Å²	137.5	62%	0.622	74%	0.741	S	S	*	*			cis	-177.6	159.1	-31.3	53.4	0	0	0	0	111.7
119	C	32.4	Very low	33.1	Very low	105 Å²	105	135.4 Å²	135.4	71%	0.709	74%	0.739	S	S	*	*			trans	87.9	117.1	151.9	-64.8	0	0	0	0	123.7
120	Q	34	Very low	33.2	Very low	158 Å²	158	135.8 Å²	135.8	74%	0.738	75%	0.749	S	S	*	*				82.3	122.6	122.3	-70.7	178.3	-28.2	0	0	124.5
121	N	29.3	Very low	33.2	Very low	123 Å²	123	137.2 Å²	137.2	66%	0.658	76%	0.755	S	S	*	*				60.7	114.2	129.5	-54.7	-0.2	0	0	0	122
122	N	33	Very low	33	Very low	165 Å²	165	136.8 Å²	136.8	88%	0.882	76%	0.763	S	S	*	*				171.4	169.4	100.3	-89.6	-37.3	0	0	0	112.7
123	A	30.2	Very low	32.8	Very low	98 Å²	98	136.3 Å²	136.3	81%	0.81	77%	0.774	S	S	*	*			trans	-117.4	148.3	179.4	0	0	0	0	0	112.3
124	I	35.7	Very low	32.5	Very low	167 Å²	167	138 Å²	138	86%	0.856	78%	0.783	S	S	*	*			trans	-139.7	135.2	174.9	-65.7	-177.8	0	0	0	109.5
125	N	29.3	Very low	32.3	Very low	165 Å²	165	137.9 Å²	137.9	88%	0.882	79%	0.786	S	S	*	*			trans	-85.2	147.8	169.1	-69.8	-39.9	0	0	0	110.7
126	S	34.8	Very low	32.1	Very low	126 Å²	126	137.6 Å²	137.6	88%	0.881	78%	0.784	S	S	*	*			trans	-142.2	147.5	155.3	64.2	0	0	0	0	111.5
127	L	28.5	Very low	31.9	Very low	154 Å²	154	134.6 Å²	134.6	81%	0.806	79%	0.785	S	S	*	*			trans	-131.4	132	-172.7	173.7	79.8	0	0	0	107.6
128	L	32.5	Very low	31.8	Very low	174 Å²	174	132.2 Å²	132.2	91%	0.911	79%	0.787	S	S	*	*			trans	-151	148.9	167.2	-108.3	144.2	0	0	0	110.9
129	T	29.7	Very low	31.8	Very low	110 Å²	110	132.4 Å²	132.4	68%	0.675	79%	0.789	S	S	*	*			trans	-131.7	155.6	-164.3	59	0	0	0	0	111.2
130	S	34.3	Very low	31.8	Very low	100 Å²	100	134.2 Å²	134.2	70%	0.699	79%	0.79	S	S	*	*				171.8	141.3	124.8	45.8	0	0	0	0	115.7
131	K	33.3	Very low	31.7	Very low	187 Å²	187	134.9 Å²	134.9	81%	0.813	80%	0.797	S	S	*	*			trans	49.3	111.7	139.6	-59.6	167.5	-174.2	175.9	0	119.2
132	T	28.7	Very low	31.8	Very low	133 Å²	133	132.3 Å²	132.3	82%	0.816	80%	0.799	S	S	*	*				71.9	110.2	57.5	70.4	0	0	0	0	117.3
133	S	34	Very low	31.9	Very low	122 Å²	122	129.4 Å²	129.4	85%	0.853	79%	0.792	S	S	*	*			trans	-171.6	170.8	140.2	51.5	0	0	0	0	111
134	L	28	Very low	32.2	Very low	162 Å²	162	132.2 Å²	132.2	85%	0.848	79%	0.788	S	S	*	*			trans	-125.7	165.6	-168.3	-63.4	85.1	0	0	0	113.6
135	S	32	Very low	32.2	Very low	108 Å²	108	132.5 Å²	132.5	76%	0.755	78%	0.783	S	S	*	*			trans	110.8	135.9	131.5	76.2	0	0	0	0	122.5
136	S	31.5	Very low	32.3	Very low	100 Å²	100	130.3 Å²	130.3	70%	0.699	77%	0.771	S	S	*	*			trans	55.6	101.8	145	50.6	0	0	0	0	123.8
137	S	30	Very low	32.3	Very low	113 Å²	113	131.5 Å²	131.5	79%	0.79	76%	0.762	S	S	*	*				50.9	140.4	109.5	-55.5	0	0	0	0	123.9
138	S	35.7	Very low	32.6	Very low	118 Å²	118	131.1 Å²	131.1	83%	0.825	76%	0.756	S	S	*	*			trans	83	160.3	161.6	85.3	0	0	0	0	117.7
139	S	31	Very low	32.7	Very low	93 Å²	93	127 Å²	127	65%	0.65	74%	0.742	S	S	*	*			cis	-170.8	173.8	-42.5	60.9	0	0	0	0	111.4
140	I	33.3	Very low	32.9	Very low	143 Å²	143	128.1 Å²	128.1	73%	0.733	74%	0.744	S	S	*	*			trans	85.9	116.4	153.7	-68.3	165.3	0	0	0	121.2
141	L	30	Very low	33	Very low	172 Å²	172	130 Å²	130	90%	0.901	74%	0.742	S	S	*	*			trans	56.3	146.8	143.8	-89.2	55.2	0	0	0	126.3
142	G	32.4	Very low	32.9	Very low	68 Å²	68	126.8 Å²	126.8	70%	0.701	73%	0.733	S	S	*	*			trans	138.6	93.7	160.3	0	0	0	0	0	112.9
143	S	36	Very low	33.1	Very low	104 Å²	104	127.6 Å²	127.6	73%	0.727	73%	0.731	S	S	*	*				65.5	129.9	78.8	-60.5	0	0	0	0	113.1
144	H	35.6	Very low	33.2	Very low	157 Å²	157	127 Å²	127	73%	0.727	72%	0.724	S	S	*	*			cis	-163	154.5	31.5	-96.5	-61.8	0	0	0	114.3
145	K	35.1	Very low	33.3	Very low	174 Å²	174	126.9 Å²	126.9	76%	0.757	72%	0.724	S	S	*	*			trans	57.2	159.8	137.9	-70.2	-176.8	159.7	-175.4	0	120.7
146	L	31.2	Very low	33.3	Very low	119 Å²	119	129.2 Å²	129.2	62%	0.623	73%	0.726	S	S	*	*			cis	-160.9	149.2	-2.9	-119.8	169.5	0	0	0	112.2
147	H	35	Very low	33.2	Very low	150 Å²	150	127.9 Å²	127.9	69%	0.694	73%	0.728	S	S	*	*			trans	57.4	160.2	150	-83.5	-166	0	0	0	121.7
148	Q	36.1	Very low	33.4	Very low	146 Å²	146	129.9 Å²	129.9	68%	0.682	73%	0.729	S	S	*	*			cis	-150.7	142.2	-7.2	-125.4	163.5	-49.8	0	0	109.9
149	S	32.9	Very low	33.1	Very low	88 Å²	88	135.2 Å²	135.2	62%	0.615	73%	0.731	S	S	*	*				48	144.6	110.4	83.5	0	0	0	0	117.6
150	N	35.3	Very low	33.3	Very low	134 Å²	134	136.1 Å²	136.1	72%	0.717	74%	0.737	S	S	*	*			cis	-173	177.4	16.6	-127.1	16.4	0	0	0	108.5
151	Q	35.4	Very low	33.2	Very low	139 Å²	139	135 Å²	135	65%	0.65	74%	0.743	S	S	*	*			cis	-168.4	175.4	-12.3	-144.5	-176.8	-14.1	0	0	110.3
152	N	32.5	Very low	33.4	Very low	119 Å²	119	132.4 Å²	132.4	64%	0.636	74%	0.739	S	S	*	*			trans	70.5	161.1	153.9	-57.1	-21	0	0	0	120.8
153	I	33	Very low	33.2	Very low	150 Å²	150	136.6 Å²	136.6	77%	0.769	75%	0.745	S	S	*	*				-165.2	148.3	-59.2	-106.6	162.6	0	0	0	110.2
154	P	36.3	Very low	32.9	Very low	109 Å²	109	139.9 Å²	139.9	71%	0.708	75%	0.754	S	S	*	*			trans	-108.6	173.1	-175.9	41.4	-36.1	0	0	0	115.2
155	L	30.1	Very low	32.6	Very low	161 Å²	161	138 Å²	138	84%	0.843	75%	0.753	S	S	*	*			trans	-167.8	154.4	160.1	-130.6	68.8	0	0	0	117.9
156	I	31	Very low	32.3	Very low	157 Å²	157	136.6 Å²	136.6	81%	0.805	75%	0.752	S	S	*	*			trans	79.9	119.6	154.6	-62.6	168.3	0	0	0	122.8
157	G	30.1	Very low	32.3	Very low	71 Å²	71	136.7 Å²	136.7	73%	0.732	76%	0.763	S	S	*	*			trans	153.3	165	152.7	0	0	0	0	0	116.6
158	L	33.1	Very low	32	Very low	156 Å²	156	134.4 Å²	134.4	82%	0.817	76%	0.764	S	S	*	*				-157.3	88	-53.8	-130	178.3	0	0	0	115.7
159	R	29.3	Very low	31.8	Very low	229 Å²	229	135.6 Å²	135.6	86%	0.864	77%	0.774	S	S	*	*			trans	39.9	125.2	150.4	-66.8	-178.6	170.7	-175.5	-2.6	125.1
160	S	34.6	Very low	31.7	Very low	112 Å²	112	135.7 Å²	135.7	78%	0.783	78%	0.775	S	S	*	*				179.5	115.8	117.5	31.5	0	0	0	0	109.8
161	S	32.1	Very low	31.4	Very low	121 Å²	121	135.7 Å²	135.7	85%	0.846	78%	0.78	S	S	*	*				72.5	122.3	75.1	-60.9	0	0	0	0	113
162	S	34.6	Very low	31.2	Very low	117 Å²	117	134.5 Å²	134.5	82%	0.818	78%	0.782	S	S	*	*			cis	-140.4	169.6	44.6	53.1	0	0	0	0	116.1
163	N	28.4	Very low	31.2	Very low	156 Å²	156	137 Å²	137	83%	0.834	79%	0.789	S	S	*	*			trans	-132.9	163.7	177.7	-79.8	-31.5	0	0	0	110.7
164	L	30.1	Very low	31	Very low	173 Å²	173	134.8 Å²	134.8	91%	0.906	79%	0.787	S	S	*	*			trans	-135.5	140.7	159.3	-100.6	172.1	0	0	0	111.6
165	T	28.3	Very low	30.8	Very low	117 Å²	117	140.6 Å²	140.6	72%	0.718	80%	0.795	S	S	*	*			trans	-161.2	162.2	-167.6	58.8	0	0	0	0	108.7
166	I	28.2	Very low	30.8	Very low	144 Å²	144	140.6 Å²	140.6	74%	0.738	79%	0.791	S	S	*	*			cis	-153.7	162.7	9.5	-150.1	167.8	0	0	0	110.2
167	S	31.4	Very low	30.9	Very low	122 Å²	122	140.4 Å²	140.4	85%	0.853	79%	0.79	S	S	*	*			trans	-165.5	136.3	152	-87.4	0	0	0	0	112.4
168	S	28.7	Very low	30.9	Very low	101 Å²	101	141.5 Å²	141.5	71%	0.706	78%	0.782	S	S	*	*			trans	-163.2	122.7	177.8	58	0	0	0	0	111.2
169	L	32	Very low	30.8	Very low	172 Å²	172	142 Å²	142	90%	0.901	78%	0.78	S	S	*	*			trans	-161.8	162.3	173.8	-126.2	66.3	0	0	0	107
170	S	31.3	Very low	30.9	Very low	90 Å²	90	135.9 Å²	135.9	63%	0.629	77%	0.772	S	S	*	*				-173	125.2	-80.5	51.8	0	0	0	0	107.4
171	T	29.4	Very low	30.8	Very low	133 Å²	133	135.5 Å²	135.5	82%	0.816	77%	0.77	S	S	*	*			trans	68.1	132.7	155.8	-42.7	0	0	0	0	118.7
172	V	30.4	Very low	30.9	Very low	114 Å²	114	134 Å²	134	69%	0.691	76%	0.759	S	S	*	*				167.2	136.4	125.6	154.5	0	0	0	0	111.5
173	Q	33.4	Very low	31.1	Very low	171 Å²	171	134.8 Å²	134.8	80%	0.799	76%	0.759	S	S	*	*			trans	26.4	132.9	159	-61.6	159.2	9.7	0	0	120.8
174	S	27.9	Very low	31.3	Very low	104 Å²	104	133.1 Å²	133.1	73%	0.727	76%	0.76	S	S	*	*			cis	91.9	106	29.4	-169	0	0	0	0	116.8
175	R	32.1	Very low	31.6	Very low	232 Å²	232	128.8 Å²	128.8	88%	0.875	75%	0.749	S	S	*	*			trans	-173.2	123.9	146.2	-94.6	146	-174.2	171.2	2.7	107.2
176	H	29.8	Very low	31.9	Very low	160 Å²	160	131.6 Å²	131.6	74%	0.741	76%	0.759	S	S	*	*				53.8	112.5	85.4	-97.5	-91.8	0	0	0	112.9
177	I	32.9	Very low	32.3	Very low	154 Å²	154	129.8 Å²	129.8	79%	0.79	76%	0.759	S	S	*	*				-160.8	126.5	80.2	-88.8	152.7	0	0	0	107.1
178	V	30.8	Very low	32.4	Very low	94 Å²	94	128.8 Å²	128.8	57%	0.57	75%	0.752	S	S	*	*				62.9	127.7	82.2	174.2	0	0	0	0	111.2
179	E	31.2	Very low	33	Very low	166 Å²	166	133.4 Å²	133.4	78%	0.776	76%	0.762	S	S	*	*			cis	-150.2	132.9	21.8	-129.1	137.7	-151	0	0	107.8
180	S	32.3	Very low	33	Very low	100 Å²	100	132.6 Å²	132.6	70%	0.699	76%	0.759	S	S	*	*				41.2	144.8	80.5	57.9	0	0	0	0	116.7
181	S	32.5	Very low	33.3	Very low	105 Å²	105	135.2 Å²	135.2	73%	0.734	77%	0.771	S	S	*	*			cis	-175	132	-8.1	-102.7	0	0	0	0	107.5
182	S	34.3	Very low	33.7	Very low	89 Å²	89	134.2 Å²	134.2	62%	0.622	77%	0.77	S	S	*	*				81.6	116.4	63.2	80.9	0	0	0	0	117.2
183	T	37.2	Very low	34.2	Very low	133 Å²	133	138.6 Å²	138.6	82%	0.816	78%	0.779	S	S	*	*			trans	70.4	139.9	151.6	68.3	0	0	0	0	122.7
184	S	34.1	Very low	34.4	Very low	121 Å²	121	136.6 Å²	136.6	85%	0.846	78%	0.781	S	S	*	*				165.8	168.4	116.9	49.8	0	0	0	0	112.3
185	A	34.8	Very low	34.6	Very low	83 Å²	83	137.4 Å²	137.4	69%	0.686	79%	0.786	S	S	*	*			cis	-176.3	149.2	-43.6	0	0	0	0	0	109.5
186	L	34.9	Very low	34.9	Very low	175 Å²	175	136.2 Å²	136.2	92%	0.916	78%	0.782	S	S	*	*			trans	164.3	157.7	149.1	-111.5	65.7	0	0	0	110
187	S	37.5	Very low	35.4	Very low	107 Å²	107	133.7 Å²	133.7	75%	0.748	78%	0.782	S	S	*	*			cis	-143.9	163.6	-0.3	65.6	0	0	0	0	114
188	S	33.7	Very low	35.9	Very low	100 Å²	100	135.3 Å²	135.3	70%	0.699	78%	0.778	S	S	*	*			trans	-65.3	152.5	-170.1	-41.1	0	0	0	0	118.2
189	Q	39.7	Very low	36.3	Very low	198 Å²	198	135.8 Å²	135.8	93%	0.925	78%	0.784	S	S	*	*				-161.6	164.5	113.9	-107	172.2	81.7	0	0	112.7
190	N	32	Very low	36.9	Very low	155 Å²	155	134.4 Å²	134.4	83%	0.829	77%	0.771	S	S	*	*			trans	-111	140.5	-158.2	-65.7	-75	0	0	0	115
191	V	39.1	Very low	37.3	Very low	145 Å²	145	139.7 Å²	139.7	88%	0.879	78%	0.776	S	S	*	*			trans	-134.8	134.8	157.1	-178.9	0	0	0	0	109.5
192	S	37.5	Very low	37.7	Very low	113 Å²	113	142.1 Å²	142.1	79%	0.79	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-91.2	121.8	-168.9	54.8	0	0	0	0	114.4
193	K	40.4	Very low	38	Very low	206 Å²	206	140.6 Å²	140.6	90%	0.896	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-84	130.3	172.6	-64.2	-177.3	179.2	-178.6	0	111.9
194	P	37.2	Very low	38.1	Very low	129 Å²	129	139.9 Å²	139.9	84%	0.838	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-85.7	133.1	172.6	32.8	-32.6	0	0	0	112.2
195	S	32.2	Very low	38.5	Very low	120 Å²	120	138.9 Å²	138.9	84%	0.839	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-86.7	136.9	179.5	58.6	0	0	0	0	113.5
196	R	38.4	Very low	38.5	Very low	207 Å²	207	141.6 Å²	141.6	78%	0.781	74%	0.736	S	S	*	*			trans	-151.9	129.9	158.9	-130.8	176.5	179.8	-174.2	-5.8	111
197	S	40.6	Very low	38.7	Very low	107 Å²	107	137.1 Å²	137.1	75%	0.748	72%	0.719	S	S	*	*			trans	-123.5	119.3	-159.6	56.7	0	0	0	0	115
198	R	43	Very low	38.7	Very low	188 Å²	188	136 Å²	136	71%	0.709	71%	0.712	S	S	*	*			trans	64.3	163.8	157	-59.9	-164.9	168.2	-170.9	-1.9	114.5	R200	R198-R200 HydrophobicContact CG-CG 4.17Å
199	P	39.2	Very low	39.2	Very low	105 Å²	105	137.5 Å²	137.5	68%	0.682	71%	0.711	S	S	*	*				-113.3	104.2	53.5	35.5	-27.3	0	0	0	114.9	R201	P199-R201 PolarHBondContact O-N 3.03Å
200	R	44.9	Very low	39.2	Very low	136 Å²	136	130.7 Å²	130.7	51%	0.513	68%	0.683	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.2	25.2	165.3	-68.2	-168	-174.2	-174.2	-6.8	113.2	R198 N204 D375	R198-R200 HydrophobicContact CG-CG 4.17Å; R200-N204 PolarHBondContact O-OD1 3.05Å; R200-D375 IonicContact CZ-OD2 2.69Å; R200-D375 IonicContact NH1-OD2 3.36Å; R200-D375 PolarHBondContact NH1-OD2 3.31Å; R200-D375 IonicContact NH2-OD1 3.72Å; R200-D375 IonicContact NH2-OD2 3.27Å; R200-D375 PolarHBondContact NH2-OD2 3.14Å
201	R	40.9	Very low	40	Very low	212 Å²	212	125.9 Å²	125.9	80%	0.8	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-22.4	-179.4	-75.8	-168.9	-179.9	179.6	0.3	114.1	P199	P199-R201 PolarHBondContact O-N 3.03Å
202	F	39.6	Very low	40.2	Very low	155 Å²	155	121.8 Å²	121.8	68%	0.68	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-26.2	174.6	-92.4	-82.2	0	0	0	112.9	L205 Y206	F202-L205 PolarHBondContact O-N 2.98Å; F202-Y206 PolarHBondContact O-N 3.17Å
203	A	42	Very low	40.5	Very low	57 Å²	57	119.8 Å²	119.8	47%	0.471	61%	0.613	S	S	.	*	H	α-helix	trans	-58.4	-53.3	177.6	0	0	0	0	0	112	L205 Y206 S207	A203-L205 PolarHBondContact O-N 2.98Å; A203-L205 VanDerWaalsContact O-N 3.16Å; A203-Y206 WeakPolarHBondContact O-CA 3.39Å; A203-Y206 WeakPolarHBondContact O-CB 3.25Å; A203-Y206 PolarHBondContact O-N 3.19Å; A203-S207 PolarHBondContact O-N 3.38Å; A203-S207 PolarHBondContact O-OG 3.41Å
204	N	39.2	Very low	40.8	Very low	119 Å²	119	119.2 Å²	119.2	64%	0.636	61%	0.606	S	S	*	*	H	α-helix	trans	-62.3	-21.5	177.9	-61	66.9	0	0	0	114.2	R200	R200-N204 PolarHBondContact O-OD1 3.05Å
205	L	41.9	Very low	41.9	Very low	99 Å²	99	116.4 Å²	116.4	52%	0.518	59%	0.586	S	S	.	*	H	α-helix	trans	-79.6	-39.3	170.4	-91.2	159.5	0	0	0	111.1	F202 A203 S208 L209	F202-L205 PolarHBondContact O-N 2.98Å; A203-L205 PolarHBondContact O-N 2.98Å; A203-L205 VanDerWaalsContact O-N 3.16Å; L205-S208 PolarHBondContact O-N 3.03Å; L205-S208 PolarHBondContact O-OG 3.42Å; L205-L209 WeakPolarHBondContact O-CG 3.33Å; L205-L209 PolarHBondContact O-N 3.28Å
206	Y	35.1	Very low	43.1	Very low	140 Å²	140	114 Å²	114	55%	0.549	56%	0.561	S	S	.	*	H	α-helix	trans	-63.2	-48.1	176.8	-128.8	-96.4	0	0	0	112.2	F202 A203 S208 L209 T210	F202-Y206 PolarHBondContact O-N 3.17Å; A203-Y206 WeakPolarHBondContact O-CA 3.39Å; A203-Y206 WeakPolarHBondContact O-CB 3.25Å; A203-Y206 PolarHBondContact O-N 3.19Å; Y206-S208 PolarHBondContact O-N 2.61Å; Y206-L209 PolarHBondContact O-N 2.99Å; Y206-T210 PolarHBondContact O-N 3.22Å; Y206-T210 PolarHBondContact O-OG1 2.95Å
207	S	38.2	Very low	44.2	Very low	82 Å²	82	105.2 Å²	105.2	57%	0.573	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-17	176.5	52.2	0	0	0	0	113.7	A203 L209	A203-S207 PolarHBondContact O-N 3.38Å; A203-S207 PolarHBondContact O-OG 3.41Å; S207-L209 VanDerWaalsContact C-N 3.35Å
208	S	38.6	Very low	45.2	Very low	84 Å²	84	104.2 Å²	104.2	59%	0.587	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-14.8	168.3	80.4	0	0	0	0	114.3	L205 Y206	L205-S208 PolarHBondContact O-N 3.03Å; L205-S208 PolarHBondContact O-OG 3.42Å; Y206-S208 PolarHBondContact O-N 2.61Å
209	L	42.9	Very low	46.4	Very low	131 Å²	131	98.4 Å²	98.4	69%	0.686	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-15.4	-175.3	-70.4	166.8	0	0	0	113.7	L205 Y206 S207	L205-L209 WeakPolarHBondContact O-CG 3.33Å; L205-L209 PolarHBondContact O-N 3.28Å; Y206-L209 PolarHBondContact O-N 2.99Å; S207-L209 VanDerWaalsContact C-N 3.35Å
210	T	41.2	Very low	47.7	Very low	54 Å²	54	93.5 Å²	93.5	33%	0.331	46%	0.461	S	S	.	.	S	Bend	trans	-122.8	104	175.5	49.8	0	0	0	0	111.3	Y206	Y206-T210 PolarHBondContact O-N 3.22Å; Y206-T210 PolarHBondContact O-OG1 2.95Å
211	P	48.2	Very low	48.7	Very low	54 Å²	54	90.1 Å²	90.1	35%	0.351	45%	0.449	S	S	.	.			trans	-63.8	140	177.7	23.9	-32	0	0	0	111.5	T215 K216	P211-T215 HydrophobicContact CB-CG2 3.81Å; P211-K216 HydrophobicContact CG-CG 4.37Å; P211-K216 WeakPolarHBondContact O-CE 3.49Å; P211-K216 PolarHBondContact O-NZ 2.94Å
212	S	43.3	Very low	50.1	Low	59 Å²	59	87.9 Å²	87.9	41%	0.413	44%	0.44	S	S	.	.			trans	-67.4	167.3	-178.5	75.2	0	0	0	0	112.3	R214 T215 K216	S212-R214 VanDerWaalsContact C-N 3.3Å; S212-R214 PolarHBondContact O-N 2.97Å; S212-T215 PolarHBondContact O-N 2.75Å; S212-T215 VanDerWaalsContact O-N 3.17Å; S212-T215 PolarHBondContact OG-OG1 3.23Å; S212-K216 WeakPolarHBondContact O-CG 3.38Å; S212-K216 PolarHBondContact O-N 2.75Å; S212-K216 VanDerWaalsContact O-N 3.09Å
213	Y	44	Very low	51.7	Low	71 Å²	71	81 Å²	81	28%	0.278	41%	0.41	S	S	.	.	H	α-helix	trans	-52	-46.8	177.7	169.4	-109.2	0	0	0	112.5	T215 K216 L217 F238 F240	Y213-T215 PolarHBondContact O-N 2.71Å; Y213-K216 WeakPolarHBondContact O-CB 3.29Å; Y213-K216 PolarHBondContact O-N 2.91Å; Y213-K216 VanDerWaalsContact O-N 3.08Å; Y213-L217 HydrophobicContact CE1-CD2 4.3Å; Y213-L217 PolarHBondContact O-N 3.16Å; Y213-F238 HydrophobicContact CE2-CD1 4.23Å; Y213-F238 PolarHBondContact OH-O 2.75Å; Y213-F240 HydrophobicContact CD1-CE1 4.27Å; Y213-F240 AromaticContact CD1-CE2 3.66Å; Y213-F240 HydrophobicContact CD1-CE2 3.66Å; Y213-F240 AromaticContact CD1-CZ 3.44Å; Y213-F240 HydrophobicContact CD1-CZ 3.44Å; Y213-F240 VanDerWaalsContact CD1-CZ 3.44Å; Y213-F240 AromaticContact CD2-CD1 3.89Å; Y213-F240 HydrophobicContact CD2-CD1 3.89Å; Y213-F240 AromaticContact CD2-CD2 3.83Å; Y213-F240 HydrophobicContact CD2-CD2 3.83Å; Y213-F240 AromaticContact CD2-CE1 3.64Å; Y213-F240 HydrophobicContact CD2-CE1 3.64Å; Y213-F240 AromaticContact CD2-CE2 3.59Å; Y213-F240 HydrophobicContact CD2-CE2 3.59Å; Y213-F240 AromaticContact CD2-CG 3.99Å; Y213-F240 HydrophobicContact CD2-CG 3.99Å; Y213-F240 AromaticContact CD2-CZ 3.5Å; Y213-F240 HydrophobicContact CD2-CZ 3.5Å; Y213-F240 VanDerWaalsContact CD2-CZ 3.5Å; Y213-F240 HydrophobicContact CE1-CD2 4.3Å; Y213-F240 AromaticContact CE1-CE2 3.47Å; Y213-F240 HydrophobicContact CE1-CE2 3.47Å; Y213-F240 VanDerWaalsContact CE1-CE2 3.47Å; Y213-F240 AromaticContact CE1-CZ 3.8Å; Y213-F240 HydrophobicContact CE1-CZ 3.8Å; Y213-F240 HydrophobicContact CE2-CD1 4.32Å; Y213-F240 AromaticContact CE2-CD2 3.45Å; Y213-F240 HydrophobicContact CE2-CD2 3.45Å; Y213-F240 VanDerWaalsContact CE2-CD2 3.45Å; Y213-F240 HydrophobicContact CE2-CE1 4.28Å; Y213-F240 AromaticContact CE2-CE2 3.42Å; Y213-F240 HydrophobicContact CE2-CE2 3.42Å; Y213-F240 VanDerWaalsContact CE2-CE2 3.42Å; Y213-F240 AromaticContact CE2-CG 3.94Å; Y213-F240 HydrophobicContact CE2-CG 3.94Å; Y213-F240 AromaticContact CE2-CZ 3.86Å; Y213-F240 HydrophobicContact CE2-CZ 3.86Å; Y213-F240 HydrophobicContact CG-CD1 4.36Å; Y213-F240 HydrophobicContact CG-CD2 4.41Å; Y213-F240 AromaticContact CG-CE1 3.64Å; Y213-F240 HydrophobicContact CG-CE1 3.64Å; Y213-F240 AromaticContact CG-CE2 3.71Å; Y213-F240 HydrophobicContact CG-CE2 3.71Å; Y213-F240 AromaticContact CG-CZ 3.27Å; Y213-F240 HydrophobicContact CG-CZ 3.27Å; Y213-F240 AromaticContact CZ-CD2 3.71Å; Y213-F240 AromaticContact CZ-CE2 3.35Å
214	R	45.8	Very low	53.1	Low	194 Å²	194	78.3 Å²	78.3	73%	0.732	39%	0.388	S	S	*	.	H	α-helix	trans	-57.9	-46.2	178.6	-67.6	-176.8	178.4	174.6	0.4	111.6	S212 K216 L217 E218	S212-R214 VanDerWaalsContact C-N 3.3Å; S212-R214 PolarHBondContact O-N 2.97Å; R214-K216 VanDerWaalsContact C-N 3.28Å; R214-K216 PolarHBondContact O-N 2.84Å; R214-L217 PolarHBondContact O-N 3.22Å; R214-E218 WeakPolarHBondContact O-CB 3.2Å; R214-E218 WeakPolarHBondContact O-CG 3Å; R214-E218 PolarHBondContact O-N 3.44Å
215	T	60	Low	53.9	Low	70 Å²	70	80.6 Å²	80.6	43%	0.429	39%	0.388	S	S	.	.	H	α-helix	trans	-61	-34.9	176.7	-46.8	0	0	0	0	112.7	P211 S212 Y213 Q219	P211-T215 HydrophobicContact CB-CG2 3.81Å; S212-T215 PolarHBondContact O-N 2.75Å; S212-T215 VanDerWaalsContact O-N 3.17Å; S212-T215 PolarHBondContact OG-OG1 3.23Å; Y213-T215 PolarHBondContact O-N 2.71Å; T215-Q219 WeakPolarHBondContact O-CB 3.28Å; T215-Q219 PolarHBondContact O-N 2.67Å
216	K	58.9	Low	54.9	Low	71 Å²	71	82.9 Å²	82.9	31%	0.309	40%	0.401	S	S	.	.	H	α-helix	trans	-73	-43.5	178	-65	173.8	174.6	122.1	0	112.4	P211 S212 Y213 R214 Q219 F220 H243	P211-K216 HydrophobicContact CG-CG 4.37Å; P211-K216 WeakPolarHBondContact O-CE 3.49Å; P211-K216 PolarHBondContact O-NZ 2.94Å; S212-K216 WeakPolarHBondContact O-CG 3.38Å; S212-K216 PolarHBondContact O-N 2.75Å; S212-K216 VanDerWaalsContact O-N 3.09Å; Y213-K216 WeakPolarHBondContact O-CB 3.29Å; Y213-K216 PolarHBondContact O-N 2.91Å; Y213-K216 VanDerWaalsContact O-N 3.08Å; R214-K216 VanDerWaalsContact C-N 3.28Å; R214-K216 PolarHBondContact O-N 2.84Å; K216-Q219 PolarHBondContact O-N 3.34Å; K216-F220 PolarHBondContact O-N 2.98Å; K216-H243 WeakPolarHBondContact CG-NE2 3.21Å
217	L	60.5	Low	56.2	Low	21 Å²	21	77.7 Å²	77.7	11%	0.11	38%	0.383	C	S	.	.	H	α-helix	trans	-62.4	-45.1	173.9	171	59.9	0	0	0	111.1	Y213 R214 Q219 F220 R221 F238	Y213-L217 HydrophobicContact CE1-CD2 4.3Å; Y213-L217 PolarHBondContact O-N 3.16Å; R214-L217 PolarHBondContact O-N 3.22Å; L217-Q219 VanDerWaalsContact C-N 3.32Å; L217-Q219 PolarHBondContact O-N 2.93Å; L217-F220 PolarHBondContact O-N 2.87Å; L217-R221 HydrophobicContact CD1-CG 4.32Å; L217-R221 WeakPolarHBondContact O-CG 3.26Å; L217-R221 PolarHBondContact O-N 3.28Å; L217-F238 HydrophobicContact CB-CD1 4.37Å; L217-F238 HydrophobicContact CB-CE1 4.35Å; L217-F238 HydrophobicContact CD1-CB 4.12Å; L217-F238 HydrophobicContact CD1-CD1 3.57Å; L217-F238 HydrophobicContact CD1-CD2 3.88Å; L217-F238 HydrophobicContact CD1-CE1 3.9Å; L217-F238 HydrophobicContact CD1-CE2 4.22Å; L217-F238 HydrophobicContact CD1-CG 3.54Å; L217-F238 HydrophobicContact CD1-CZ 4.22Å; L217-F238 HydrophobicContact CG-CD1 4.47Å
218	E	61.5	Low	57.2	Low	87 Å²	87	78.2 Å²	78.2	41%	0.407	39%	0.385	S	S	.	.	H	α-helix	trans	-59.5	-41.2	171.9	-79	-175.3	-120	0	0	112.2	R214 F220 R221 R222	R214-E218 WeakPolarHBondContact O-CB 3.2Å; R214-E218 WeakPolarHBondContact O-CG 3Å; R214-E218 PolarHBondContact O-N 3.44Å; E218-F220 PolarHBondContact O-N 2.91Å; E218-R221 PolarHBondContact O-N 3.01Å; E218-R222 WeakPolarHBondContact O-CB 3.28Å; E218-R222 WeakPolarHBondContact O-CG 3.3Å; E218-R222 PolarHBondContact O-N 3.45Å; E218-R222 IonicContact OE2-CZ 2.71Å; E218-R222 IonicContact OE2-NE 3.19Å; E218-R222 IonicContact OE2-NH2 3.51Å; E218-R222 PolarHBondContact OE2-NH2 2.85Å
219	Q	68.3	Low	58.2	Low	66 Å²	66	74.3 Å²	74.3	31%	0.308	36%	0.357	S	S	.	.	H	α-helix	trans	-62.7	-41.8	176.6	-174.6	172.1	15.4	0	0	111.7	T215 K216 L217 R222 I223 R260	T215-Q219 WeakPolarHBondContact O-CB 3.28Å; T215-Q219 PolarHBondContact O-N 2.67Å; K216-Q219 PolarHBondContact O-N 3.34Å; L217-Q219 VanDerWaalsContact C-N 3.32Å; L217-Q219 PolarHBondContact O-N 2.93Å; Q219-R222 PolarHBondContact O-N 3.1Å; Q219-I223 HydrophobicContact CG-CD1 3.77Å; Q219-I223 HydrophobicContact CG-CG1 4.47Å; Q219-I223 WeakPolarHBondContact O-CD1 3.34Å; Q219-I223 VanDerWaalsContact O-CG1 3.24Å; Q219-I223 WeakPolarHBondContact O-CG1 3.47Å; Q219-I223 PolarHBondContact O-N 3.25Å; Q219-I223 VanDerWaalsContact O-N 3.11Å; Q219-R260 VanDerWaalsContact CD-NH1 3.33Å
220	F	66.2	Low	58.7	Low	2 Å²	2	73.6 Å²	73.6	1%	0.009	35%	0.354	C	S	.	.	H	α-helix	trans	-59.4	-52.3	173.2	177.9	-86.7	0	0	0	111.2	K216 L217 E218 R222 I223 F224 V229 L234 F238 Y262	K216-F220 PolarHBondContact O-N 2.98Å; L217-F220 PolarHBondContact O-N 2.87Å; E218-F220 PolarHBondContact O-N 2.91Å; F220-R222 VanDerWaalsContact C-N 3.26Å; F220-R222 PolarHBondContact O-N 3.42Å; F220-I223 PolarHBondContact O-N 2.93Å; F220-F224 HydrophobicContact CD1-CD2 4.34Å; F220-F224 AromaticContact CD2-CD2 3.47Å; F220-F224 HydrophobicContact CD2-CD2 3.47Å; F220-F224 VanDerWaalsContact CD2-CD2 3.47Å; F220-F224 AromaticContact CD2-CE2 3.64Å; F220-F224 HydrophobicContact CD2-CE2 3.64Å; F220-F224 HydrophobicContact CE1-CD2 4.27Å; F220-F224 AromaticContact CE2-CD2 3.4Å; F220-F224 HydrophobicContact CE2-CD2 3.4Å; F220-F224 VanDerWaalsContact CE2-CD2 3.4Å; F220-F224 AromaticContact CE2-CE2 3.62Å; F220-F224 HydrophobicContact CE2-CE2 3.62Å; F220-F224 HydrophobicContact CE2-CG 4.46Å; F220-F224 AromaticContact CG-CD2 3.96Å; F220-F224 HydrophobicContact CG-CD2 3.96Å; F220-F224 HydrophobicContact CG-CE2 4.48Å; F220-F224 AromaticContact CZ-CD2 3.83Å; F220-F224 HydrophobicContact CZ-CD2 3.83Å; F220-F224 HydrophobicContact CZ-CE2 4.45Å; F220-F224 PolarHBondContact O-N 2.69Å; F220-F224 VanDerWaalsContact O-N 3.08Å; F220-V229 HydrophobicContact CZ-CG1 4.46Å; F220-L234 HydrophobicContact CE1-CD1 4.25Å; F220-F238 HydrophobicContact CB-CE2 4.06Å; F220-F238 HydrophobicContact CB-CZ 3.66Å; F220-F238 HydrophobicContact CD1-CD2 4.35Å; F220-F238 AromaticContact CD1-CE2 3.43Å; F220-F238 HydrophobicContact CD1-CE2 3.43Å; F220-F238 VanDerWaalsContact CD1-CE2 3.43Å; F220-F238 AromaticContact CD1-CZ 3.97Å; F220-F238 HydrophobicContact CD1-CZ 3.97Å; F220-F238 AromaticContact CD2-CE2 3.82Å; F220-F238 HydrophobicContact CD2-CE2 3.82Å; F220-F238 AromaticContact CD2-CZ 3.88Å; F220-F238 HydrophobicContact CD2-CZ 3.88Å; F220-F238 HydrophobicContact CE1-CD2 4.49Å; F220-F238 AromaticContact CE1-CE2 3.74Å; F220-F238 HydrophobicContact CE1-CE2 3.74Å; F220-F238 HydrophobicContact CE2-CE2 4.09Å; F220-F238 AromaticContact CG-CE2 3.49Å; F220-F238 HydrophobicContact CG-CE2 3.49Å; F220-F238 VanDerWaalsContact CG-CE2 3.49Å; F220-F238 AromaticContact CG-CZ 3.56Å; F220-F238 HydrophobicContact CG-CZ 3.56Å; F220-F238 HydrophobicContact CZ-CE2 4.05Å; F220-Y262 HydrophobicContact CB-CE1 4.32Å; F220-Y262 AromaticContact CD2-CD1 3.61Å; F220-Y262 HydrophobicContact CD2-CD1 3.61Å; F220-Y262 HydrophobicContact CD2-CE1 4.03Å; F220-Y262 AromaticContact CD2-CG 3.88Å; F220-Y262 HydrophobicContact CD2-CG 3.88Å; F220-Y262 HydrophobicContact CE2-CD1 4.32Å; F220-Y262 HydrophobicContact CE2-CG 4.2Å
221	R	67.5	Low	59.3	Low	65 Å²	65	72.4 Å²	72.4	25%	0.245	35%	0.347	C	S	.	.	H	α-helix	trans	-60.8	-31.1	178.8	-70.8	-178	175.2	157.9	3.7	112.8	L217 E218 R225 T231 L234 L235	L217-R221 HydrophobicContact CD1-CG 4.32Å; L217-R221 WeakPolarHBondContact O-CG 3.26Å; L217-R221 PolarHBondContact O-N 3.28Å; E218-R221 PolarHBondContact O-N 3.01Å; R221-R225 VanDerWaalsContact O-CD 3.31Å; R221-R225 WeakPolarHBondContact O-CD 3.32Å; R221-R225 WeakPolarHBondContact O-CG 3.39Å; R221-R225 PolarHBondContact O-NE 2.82Å; R221-T231 HydrophobicContact CG-CG2 4Å; R221-L234 PolarHBondContact NH2-O 2.77Å; R221-L235 VanDerWaalsContact NH2-CD2 3.29Å
222	R	69.6	Low	59.1	Low	164 Å²	164	78.2 Å²	78.2	62%	0.619	37%	0.369	S	S	*	.	H	α-helix	trans	-75.2	-26.4	174.6	-70.5	168.9	-164.6	-146.2	10	113.2	E218 Q219 F220	E218-R222 WeakPolarHBondContact O-CB 3.28Å; E218-R222 WeakPolarHBondContact O-CG 3.3Å; E218-R222 PolarHBondContact O-N 3.45Å; E218-R222 IonicContact OE2-CZ 2.71Å; E218-R222 IonicContact OE2-NE 3.19Å; E218-R222 IonicContact OE2-NH2 3.51Å; E218-R222 PolarHBondContact OE2-NH2 2.85Å; Q219-R222 PolarHBondContact O-N 3.1Å; F220-R222 VanDerWaalsContact C-N 3.26Å; F220-R222 PolarHBondContact O-N 3.42Å
223	I	72.4	Confident	59.1	Low	11 Å²	11	85.7 Å²	85.7	6%	0.056	39%	0.389	C	S	.	.	H	α-helix	trans	-84.8	-34.2	-179.1	-70	167.2	0	0	0	112	Q219 F220 Y271 K279	Q219-I223 HydrophobicContact CG-CD1 3.77Å; Q219-I223 HydrophobicContact CG-CG1 4.47Å; Q219-I223 WeakPolarHBondContact O-CD1 3.34Å; Q219-I223 VanDerWaalsContact O-CG1 3.24Å; Q219-I223 WeakPolarHBondContact O-CG1 3.47Å; Q219-I223 PolarHBondContact O-N 3.25Å; Q219-I223 VanDerWaalsContact O-N 3.11Å; F220-I223 PolarHBondContact O-N 2.93Å; I223-Y271 HydrophobicContact CD1-CD1 3.86Å; I223-Y271 HydrophobicContact CD1-CD2 4.4Å; I223-Y271 HydrophobicContact CD1-CE1 3.91Å; I223-Y271 HydrophobicContact CD1-CE2 4.43Å; I223-Y271 HydrophobicContact CD1-CG 4.11Å; I223-Y271 HydrophobicContact CG1-CE1 4.45Å; I223-Y271 HydrophobicContact CG1-CE2 4.26Å; I223-Y271 HydrophobicContact CG2-CD2 3.32Å; I223-Y271 HydrophobicContact CG2-CE2 3.6Å; I223-Y271 HydrophobicContact CG2-CG 3.87Å; I223-K279 WeakPolarHBondContact O-CE 3.5Å; I223-K279 PolarHBondContact O-NZ 3.22Å
224	F	71.1	Confident	59.4	Low	0 Å²	0	83 Å²	83	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-118.5	15.5	-165.1	-61.2	-60	0	0	0	116.1	F220 D226 T227 Y262 C269 K279 F281	F220-F224 HydrophobicContact CD1-CD2 4.34Å; F220-F224 AromaticContact CD2-CD2 3.47Å; F220-F224 HydrophobicContact CD2-CD2 3.47Å; F220-F224 VanDerWaalsContact CD2-CD2 3.47Å; F220-F224 AromaticContact CD2-CE2 3.64Å; F220-F224 HydrophobicContact CD2-CE2 3.64Å; F220-F224 HydrophobicContact CE1-CD2 4.27Å; F220-F224 AromaticContact CE2-CD2 3.4Å; F220-F224 HydrophobicContact CE2-CD2 3.4Å; F220-F224 VanDerWaalsContact CE2-CD2 3.4Å; F220-F224 AromaticContact CE2-CE2 3.62Å; F220-F224 HydrophobicContact CE2-CE2 3.62Å; F220-F224 HydrophobicContact CE2-CG 4.46Å; F220-F224 AromaticContact CG-CD2 3.96Å; F220-F224 HydrophobicContact CG-CD2 3.96Å; F220-F224 HydrophobicContact CG-CE2 4.48Å; F220-F224 AromaticContact CZ-CD2 3.83Å; F220-F224 HydrophobicContact CZ-CD2 3.83Å; F220-F224 HydrophobicContact CZ-CE2 4.45Å; F220-F224 PolarHBondContact O-N 2.69Å; F220-F224 VanDerWaalsContact O-N 3.08Å; F224-D226 VanDerWaalsContact C-N 3.25Å; F224-D226 PolarHBondContact O-N 2.99Å; F224-T227 HydrophobicContact CB-CG2 4.29Å; F224-T227 HydrophobicContact CD1-CG2 4.33Å; F224-T227 WeakPolarHBondContact O-CB 3.42Å; F224-T227 WeakPolarHBondContact O-CG2 3.34Å; F224-T227 PolarHBondContact O-OG1 2.82Å; F224-Y262 AromaticContact CE2-CD2 3.98Å; F224-Y262 HydrophobicContact CE2-CD2 3.98Å; F224-Y262 HydrophobicContact CE2-CE2 4.16Å; F224-Y262 HydrophobicContact CE2-CG 4.48Å; F224-Y262 HydrophobicContact CZ-CD2 4.34Å; F224-C269 HydrophobicContact CE1-CB 4.44Å; F224-C269 HydrophobicContact CE2-CB 4.28Å; F224-C269 HydrophobicContact CZ-CB 3.95Å; F224-K279 HydrophobicContact CD1-CD 4.36Å; F224-K279 HydrophobicContact CE1-CB 4.38Å; F224-K279 HydrophobicContact CE1-CD 4.4Å; F224-K279 HydrophobicContact CE1-CG 4.18Å; F224-F281 HydrophobicContact CD1-CD1 4.5Å; F224-F281 AromaticContact CD1-CE1 3.32Å; F224-F281 HydrophobicContact CD1-CE1 3.32Å; F224-F281 AromaticContact CD1-CZ 3.59Å; F224-F281 HydrophobicContact CD1-CZ 3.59Å; F224-F281 AromaticContact CE1-CE1 3.56Å; F224-F281 HydrophobicContact CE1-CE1 3.56Å; F224-F281 AromaticContact CE1-CZ 3.77Å; F224-F281 HydrophobicContact CE1-CZ 3.77Å; F224-F281 HydrophobicContact CG-CE1 4.23Å
225	R	57.8	Low	59.2	Low	168 Å²	168	79.2 Å²	79.2	63%	0.634	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.5	-44.2	176.5	-93.9	144.8	-170.4	-137.4	-4	114.4	R221 T227	R221-R225 VanDerWaalsContact O-CD 3.31Å; R221-R225 WeakPolarHBondContact O-CD 3.32Å; R221-R225 WeakPolarHBondContact O-CG 3.39Å; R221-R225 PolarHBondContact O-NE 2.82Å; R225-T227 PolarHBondContact O-N 3.1Å
226	D	61.3	Low	58.3	Low	147 Å²	147	83.9 Å²	83.9	79%	0.786	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	42.4	-165.2	-33.9	-72.5	0	0	0	111.6	F224	F224-D226 VanDerWaalsContact C-N 3.25Å; F224-D226 PolarHBondContact O-N 2.99Å
227	T	63.5	Low	57.5	Low	30 Å²	30	81.6 Å²	81.6	18%	0.184	39%	0.388	C	S	.	.	S	Bend	trans	-137.2	155.2	-166.5	76.2	0	0	0	0	111.7	F224 R225 V229 F281	F224-T227 HydrophobicContact CB-CG2 4.29Å; F224-T227 HydrophobicContact CD1-CG2 4.33Å; F224-T227 WeakPolarHBondContact O-CB 3.42Å; F224-T227 WeakPolarHBondContact O-CG2 3.34Å; F224-T227 PolarHBondContact O-OG1 2.82Å; R225-T227 PolarHBondContact O-N 3.1Å; T227-V229 PolarHBondContact O-N 2.88Å; T227-F281 HydrophobicContact CG2-CE1 3.72Å; T227-F281 HydrophobicContact CG2-CE2 4.32Å; T227-F281 HydrophobicContact CG2-CZ 3.41Å; T227-F281 VanDerWaalsContact CG2-CZ 3.41Å
228	P	58.8	Low	56.5	Low	93 Å²	93	82 Å²	82	60%	0.604	39%	0.389	S	S	*	.	S	Bend	trans	-71.8	18.9	-179.9	32.4	-38.2	0	0	0	114.1	W267	P228-W267 HydrophobicContact CG-CH2 4.36Å
229	V	59.6	Low	55.7	Low	2 Å²	2	79.5 Å²	79.5	1%	0.012	38%	0.378	C	S	.	.	S	Bend	trans	-96.3	94.8	171.9	-177	0	0	0	0	106.8	F220 T227 T231 L234 W267 F281	F220-V229 HydrophobicContact CZ-CG1 4.46Å; T227-V229 PolarHBondContact O-N 2.88Å; V229-T231 WeakPolarHBondContact O-CA 3.39Å; V229-T231 PolarHBondContact O-N 2.82Å; V229-T231 PolarHBondContact O-OG1 2.85Å; V229-L234 HydrophobicContact CG1-CD1 3.74Å; V229-W267 HydrophobicContact CG1-CG 4.49Å; V229-W267 HydrophobicContact CG2-CB 4.48Å; V229-W267 HydrophobicContact CG2-CD2 3.94Å; V229-W267 HydrophobicContact CG2-CE3 4.5Å; V229-W267 HydrophobicContact CG2-CG 3.92Å; V229-F281 HydrophobicContact CG2-CD1 3.76Å; V229-F281 HydrophobicContact CG2-CE1 4.28Å
230	D	53.9	Low	54.1	Low	116 Å²	116	81.8 Å²	81.8	62%	0.62	39%	0.387	S	S	*	.			trans	-47.4	92.1	-176	-78.2	-18.1	0	0	0	112.5	E232 R233	D230-E232 PolarHBondContact O-N 2.87Å; D230-R233 PolarHBondContact O-N 2.83Å
231	T	54	Low	52.8	Low	29 Å²	29	84.4 Å²	84.4	18%	0.178	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-16.7	-166.1	-63.7	0	0	0	0	112.1	R221 V229	R221-T231 HydrophobicContact CG-CG2 4Å; V229-T231 WeakPolarHBondContact O-CA 3.39Å; V229-T231 PolarHBondContact O-N 2.82Å; V229-T231 PolarHBondContact O-OG1 2.85Å
232	E	43.9	Very low	51.8	Low	176 Å²	176	83.2 Å²	83.2	82%	0.822	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-23.2	-177.8	-55.4	-164.8	146.8	0	0	113.9	D230	D230-E232 PolarHBondContact O-N 2.87Å
233	R	43.1	Very low	51	Low	216 Å²	216	78.3 Å²	78.3	82%	0.815	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-15.1	171.2	-91.3	-179.1	168	147.4	-2.8	113.6	D230 L235	D230-R233 PolarHBondContact O-N 2.83Å; R233-L235 PolarHBondContact O-N 3.39Å
234	L	49.1	Very low	50.6	Low	16 Å²	16	78.8 Å²	78.8	8%	0.084	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	53.9	174.7	-64.2	174.1	0	0	0	112.1	F220 R221 V229 T264	F220-L234 HydrophobicContact CE1-CD1 4.25Å; R221-L234 PolarHBondContact NH2-O 2.77Å; V229-L234 HydrophobicContact CG1-CD1 3.74Å; L234-T264 HydrophobicContact CD1-CG2 4.47Å
235	L	42.9	Very low	50.7	Low	113 Å²	113	81.3 Å²	81.3	59%	0.592	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-39.9	173.8	-89.1	160.3	0	0	0	112.4	R221 R233	R221-L235 VanDerWaalsContact NH2-CD2 3.29Å; R233-L235 PolarHBondContact O-N 3.39Å
236	D	41	Very low	52	Low	168 Å²	168	73.3 Å²	73.3	90%	0.898	38%	0.38	S	S	*	.	S	Bend	trans	-102.3	-16.1	174.8	-64.6	-43.1	0	0	0	114
237	S	42.1	Very low	53.1	Low	24 Å²	24	66.4 Å²	66.4	17%	0.168	34%	0.343	C	S	.	.			trans	-99.3	20	-176.9	-177.4	0	0	0	0	113.7	L239 E265	S237-L239 PolarHBondContact O-N 2.98Å; S237-E265 PolarHBondContact OG-OE2 3.24Å
238	F	38.9	Very low	54.2	Low	30 Å²	30	65 Å²	65	13%	0.132	34%	0.335	C	S	.	.			trans	-90.3	87.5	-177.7	-157.6	-92.6	0	0	0	114.1	Y213 L217 F220 F240	Y213-F238 HydrophobicContact CE2-CD1 4.23Å; Y213-F238 PolarHBondContact OH-O 2.75Å; L217-F238 HydrophobicContact CB-CD1 4.37Å; L217-F238 HydrophobicContact CB-CE1 4.35Å; L217-F238 HydrophobicContact CD1-CB 4.12Å; L217-F238 HydrophobicContact CD1-CD1 3.57Å; L217-F238 HydrophobicContact CD1-CD2 3.88Å; L217-F238 HydrophobicContact CD1-CE1 3.9Å; L217-F238 HydrophobicContact CD1-CE2 4.22Å; L217-F238 HydrophobicContact CD1-CG 3.54Å; L217-F238 HydrophobicContact CD1-CZ 4.22Å; L217-F238 HydrophobicContact CG-CD1 4.47Å; F220-F238 HydrophobicContact CB-CE2 4.06Å; F220-F238 HydrophobicContact CB-CZ 3.66Å; F220-F238 HydrophobicContact CD1-CD2 4.35Å; F220-F238 AromaticContact CD1-CE2 3.43Å; F220-F238 HydrophobicContact CD1-CE2 3.43Å; F220-F238 VanDerWaalsContact CD1-CE2 3.43Å; F220-F238 AromaticContact CD1-CZ 3.97Å; F220-F238 HydrophobicContact CD1-CZ 3.97Å; F220-F238 AromaticContact CD2-CE2 3.82Å; F220-F238 HydrophobicContact CD2-CE2 3.82Å; F220-F238 AromaticContact CD2-CZ 3.88Å; F220-F238 HydrophobicContact CD2-CZ 3.88Å; F220-F238 HydrophobicContact CE1-CD2 4.49Å; F220-F238 AromaticContact CE1-CE2 3.74Å; F220-F238 HydrophobicContact CE1-CE2 3.74Å; F220-F238 HydrophobicContact CE2-CE2 4.09Å; F220-F238 AromaticContact CG-CE2 3.49Å; F220-F238 HydrophobicContact CG-CE2 3.49Å; F220-F238 VanDerWaalsContact CG-CE2 3.49Å; F220-F238 AromaticContact CG-CZ 3.56Å; F220-F238 HydrophobicContact CG-CZ 3.56Å; F220-F238 HydrophobicContact CZ-CE2 4.05Å; F238-F240 PolarHBondContact O-N 3.43Å
239	L	43.9	Very low	55.3	Low	34 Å²	34	62.4 Å²	62.4	18%	0.178	32%	0.319	C	S	.	.			trans	-33.3	108.8	177.3	-135.2	157.6	0	0	0	115.2	S237 I263 I351 L355	S237-L239 PolarHBondContact O-N 2.98Å; L239-I263 HydrophobicContact CD1-CB 4.42Å; L239-I263 HydrophobicContact CD1-CG2 4.41Å; L239-I263 WeakPolarHBondContact CD1-O 3.32Å; L239-I351 HydrophobicContact CD1-CD1 4Å; L239-I351 HydrophobicContact CD1-CG1 4.44Å; L239-I351 HydrophobicContact CD1-CG2 4.26Å; L239-I351 HydrophobicContact CG-CD1 4.49Å; L239-I351 HydrophobicContact CG-CG2 3.85Å; L239-L355 HydrophobicContact CD2-CD1 3.78Å; L239-L355 HydrophobicContact CD2-CD2 4.08Å; L239-L355 HydrophobicContact CD2-CG 4.39Å; L239-L355 HydrophobicContact CG-CD1 4.28Å
240	F	35.5	Very low	55.7	Low	114 Å²	114	66.8 Å²	66.8	50%	0.5	34%	0.338	S	S	.	.			trans	-68.1	149.1	173	-110.3	-97.7	0	0	0	112.2	Y213 F238	Y213-F240 HydrophobicContact CD1-CE1 4.27Å; Y213-F240 AromaticContact CD1-CE2 3.66Å; Y213-F240 HydrophobicContact CD1-CE2 3.66Å; Y213-F240 AromaticContact CD1-CZ 3.44Å; Y213-F240 HydrophobicContact CD1-CZ 3.44Å; Y213-F240 VanDerWaalsContact CD1-CZ 3.44Å; Y213-F240 AromaticContact CD2-CD1 3.89Å; Y213-F240 HydrophobicContact CD2-CD1 3.89Å; Y213-F240 AromaticContact CD2-CD2 3.83Å; Y213-F240 HydrophobicContact CD2-CD2 3.83Å; Y213-F240 AromaticContact CD2-CE1 3.64Å; Y213-F240 HydrophobicContact CD2-CE1 3.64Å; Y213-F240 AromaticContact CD2-CE2 3.59Å; Y213-F240 HydrophobicContact CD2-CE2 3.59Å; Y213-F240 AromaticContact CD2-CG 3.99Å; Y213-F240 HydrophobicContact CD2-CG 3.99Å; Y213-F240 AromaticContact CD2-CZ 3.5Å; Y213-F240 HydrophobicContact CD2-CZ 3.5Å; Y213-F240 VanDerWaalsContact CD2-CZ 3.5Å; Y213-F240 HydrophobicContact CE1-CD2 4.3Å; Y213-F240 AromaticContact CE1-CE2 3.47Å; Y213-F240 HydrophobicContact CE1-CE2 3.47Å; Y213-F240 VanDerWaalsContact CE1-CE2 3.47Å; Y213-F240 AromaticContact CE1-CZ 3.8Å; Y213-F240 HydrophobicContact CE1-CZ 3.8Å; Y213-F240 HydrophobicContact CE2-CD1 4.32Å; Y213-F240 AromaticContact CE2-CD2 3.45Å; Y213-F240 HydrophobicContact CE2-CD2 3.45Å; Y213-F240 VanDerWaalsContact CE2-CD2 3.45Å; Y213-F240 HydrophobicContact CE2-CE1 4.28Å; Y213-F240 AromaticContact CE2-CE2 3.42Å; Y213-F240 HydrophobicContact CE2-CE2 3.42Å; Y213-F240 VanDerWaalsContact CE2-CE2 3.42Å; Y213-F240 AromaticContact CE2-CG 3.94Å; Y213-F240 HydrophobicContact CE2-CG 3.94Å; Y213-F240 AromaticContact CE2-CZ 3.86Å; Y213-F240 HydrophobicContact CE2-CZ 3.86Å; Y213-F240 HydrophobicContact CG-CD1 4.36Å; Y213-F240 HydrophobicContact CG-CD2 4.41Å; Y213-F240 AromaticContact CG-CE1 3.64Å; Y213-F240 HydrophobicContact CG-CE1 3.64Å; Y213-F240 AromaticContact CG-CE2 3.71Å; Y213-F240 HydrophobicContact CG-CE2 3.71Å; Y213-F240 AromaticContact CG-CZ 3.27Å; Y213-F240 HydrophobicContact CG-CZ 3.27Å; Y213-F240 AromaticContact CZ-CD2 3.71Å; Y213-F240 AromaticContact CZ-CE2 3.35Å; F238-F240 PolarHBondContact O-N 3.43Å
241	S	38.2	Very low	56	Low	56 Å²	56	66.6 Å²	66.6	39%	0.392	34%	0.337	S	S	.	.	S	Bend	trans	51.9	75.1	166.6	-70.6	0	0	0	0	118.9	L367	S241-L367 WeakPolarHBondContact O-CD1 3.5Å; S241-L367 PolarHBondContact OG-O 2.93Å
242	S	46.9	Very low	56.1	Low	41 Å²	41	73.5 Å²	73.5	29%	0.287	37%	0.373	S	S	.	.				-170.9	122.9	126	-84.2	0	0	0	0	112.6	Y244 L367	S242-Y244 VanDerWaalsContact CB-CE2 3.47Å; S242-Y244 WeakPolarHBondContact CB-OH 3.44Å; S242-Y244 PolarHBondContact O-N 2.92Å; S242-Y244 PolarHBondContact OG-OH 2.84Å; S242-L367 VanDerWaalsContact OG-CD2 3.31Å; S242-L367 WeakPolarHBondContact OG-CD2 3.42Å
243	H	54	Low	56.8	Low	61 Å²	61	70.6 Å²	70.6	28%	0.282	36%	0.363	S	S	.	.			trans	-81.7	99.5	155.6	-75.3	-38.2	0	0	0	108.4	K216 S245	K216-H243 WeakPolarHBondContact CG-NE2 3.21Å; H243-S245 PolarHBondContact O-N 2.96Å
244	Y	63.8	Low	57.6	Low	20 Å²	20	63 Å²	63	8%	0.078	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	83	166.4	-63.9	-58.5	0	0	0	109.1	S242 C246 R260 M261 I263 F319 S325 I328	S242-Y244 VanDerWaalsContact CB-CE2 3.47Å; S242-Y244 WeakPolarHBondContact CB-OH 3.44Å; S242-Y244 PolarHBondContact O-N 2.92Å; S242-Y244 PolarHBondContact OG-OH 2.84Å; Y244-C246 PolarHBondContact O-N 3.4Å; Y244-R260 WeakPolarHBondContact O-CA 3.36Å; Y244-M261 HydrophobicContact CD2-CE 3.61Å; Y244-M261 HydrophobicContact CE2-CE 4.45Å; Y244-M261 HydrophobicContact CG-CE 3.9Å; Y244-M261 PolarHBondContact O-N 2.83Å; Y244-I263 HydrophobicContact CD2-CD1 4.2Å; Y244-I263 HydrophobicContact CE2-CD1 3.92Å; Y244-F319 HydrophobicContact CD1-CD1 4.33Å; Y244-S325 WeakPolarHBondContact CD1-OG 3.28Å; Y244-S325 WeakPolarHBondContact CE1-OG 3.28Å; Y244-I328 WeakPolarHBondContact OH-CD1 3.24Å
245	S	72	Confident	58.4	Low	54 Å²	54	66.5 Å²	66.5	38%	0.378	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	117.1	158.7	-65.3	0	0	0	0	107.7	H243 S318	H243-S245 PolarHBondContact O-N 2.96Å; S245-S318 VanDerWaalsContact O-O 3.1Å
246	C	85.2	Confident	59.9	Low	0 Å²	0	64.8 Å²	64.8	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	165	178	62.1	0	0	0	0	108.5	Y244 G259 T317 F319	Y244-C246 PolarHBondContact O-N 3.4Å; C246-G259 PolarHBondContact N-O 3.44Å; C246-G259 CarbonylContact O-C 3.6Å; C246-G259 PolarHBondContact O-N 2.99Å; C246-G259 VanDerWaalsContact O-O 3.13Å; C246-T317 CarbonylContact C-O 3.52Å; C246-T317 WeakPolarHBondContact CA-O 3.43Å; C246-T317 WeakPolarHBondContact CB-O 3.43Å; C246-F319 HydrophobicContact CB-CD1 3.98Å; C246-F319 HydrophobicContact CB-CD2 4.42Å; C246-F319 HydrophobicContact CB-CE1 3.84Å; C246-F319 HydrophobicContact CB-CE2 4.3Å; C246-F319 HydrophobicContact CB-CG 4.27Å; C246-F319 HydrophobicContact CB-CZ 4.01Å
247	A	85.2	Confident	61.7	Low	1 Å²	1	58 Å²	58	1%	0.008	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	139.3	169.3	0	0	0	0	0	110.9	L256 L257 Q258 F316 T317	A247-L256 HydrophobicContact CB-CB 3.85Å; A247-L257 VanDerWaalsContact CA-O 3.27Å; A247-L257 WeakPolarHBondContact CA-O 3.46Å; A247-Q258 HydrophobicContact CB-CB 4.06Å; A247-F316 CarbonylContact O-C 3.59Å; A247-F316 WeakPolarHBondContact O-CA 3.19Å; A247-T317 HydrophobicContact CB-CG2 4.06Å; A247-T317 PolarHBondContact N-O 2.73Å; A247-T317 WeakPolarHBondContact O-CG2 3.37Å; A247-T317 PolarHBondContact O-N 3.35Å
248	L	86.1	Confident	63.6	Low	2 Å²	2	60.2 Å²	60.2	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	125.5	166.8	178.1	70.5	0	0	0	109.2	K250 L257 F270 I280 F314 F316	L248-K250 HydrophobicContact CD2-CB 4.34Å; L248-K250 HydrophobicContact CG-CB 4.45Å; L248-K250 PolarHBondContact O-N 2.78Å; L248-L257 HydrophobicContact CB-CB 4.35Å; L248-L257 HydrophobicContact CD2-CD1 4.46Å; L248-L257 PolarHBondContact N-O 2.84Å; L248-L257 WeakPolarHBondContact O-CB 3.3Å; L248-L257 PolarHBondContact O-N 2.89Å; L248-F270 HydrophobicContact CB-CE1 3.99Å; L248-F270 HydrophobicContact CB-CZ 4.18Å; L248-I280 HydrophobicContact CD2-CD1 3.32Å; L248-F314 HydrophobicContact CD1-CB 4.06Å; L248-F314 HydrophobicContact CD1-CD1 4.06Å; L248-F314 HydrophobicContact CD2-CD1 4.4Å; L248-F316 HydrophobicContact CB-CD1 4.33Å; L248-F316 HydrophobicContact CB-CE1 4.31Å; L248-F316 HydrophobicContact CD1-CD1 4.16Å; L248-F316 HydrophobicContact CD1-CE1 3.97Å; L248-F316 HydrophobicContact CD1-CZ 4.17Å
249	S	81	Confident	65.8	Low	37 Å²	37	59.3 Å²	59.3	26%	0.259	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	110.8	164.2	-169.1	0	0	0	0	108.4	F315	S249-F315 PolarHBondContact N-O 3.48Å
250	K	68.3	Low	67.7	Low	95 Å²	95	61.3 Å²	61.3	41%	0.413	34%	0.336	S	S	.	.			trans	-119	127	174.2	-171.5	164.6	-178.4	168.1	0	109.4	L248 L257	L248-K250 HydrophobicContact CD2-CB 4.34Å; L248-K250 HydrophobicContact CG-CB 4.45Å; L248-K250 PolarHBondContact O-N 2.78Å; K250-L257 HydrophobicContact CB-CD1 3.88Å
251	N	60.5	Low	70.2	Confident	112 Å²	112	55.9 Å²	55.9	60%	0.599	31%	0.313	S	S	*	.	S	Bend	trans	71.3	159.8	-174.7	-53.3	-1.6	0	0	0	115.4	N253	N251-N253 PolarHBondContact O-N 2.88Å; N251-N253 VanDerWaalsContact O-N 3.09Å
252	N	56.2	Low	72.3	Confident	174 Å²	174	54 Å²	54	93%	0.93	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-5.3	-171.5	-62.1	-12.5	0	0	0	114.4	G254	N252-G254 VanDerWaalsContact C-N 3.29Å; N252-G254 PolarHBondContact O-N 3.15Å
253	N	57.9	Low	74	Confident	114 Å²	114	52.8 Å²	52.8	61%	0.61	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	10.4	-172.9	-53.3	76.5	0	0	0	113.9	N251 L255	N251-N253 PolarHBondContact O-N 2.88Å; N251-N253 VanDerWaalsContact O-N 3.09Å; N253-L255 VanDerWaalsContact C-N 3.26Å; N253-L255 PolarHBondContact O-N 2.69Å
254	G	61.9	Low	75.2	Confident	56 Å²	56	50 Å²	50	58%	0.577	28%	0.275	S	S	*	.			trans	71.4	8.4	174.3	0	0	0	0	0	116.3	N252 L256	N252-G254 VanDerWaalsContact C-N 3.29Å; N252-G254 PolarHBondContact O-N 3.15Å; G254-L256 PolarHBondContact O-N 2.92Å
255	L	64.5	Low	75.7	Confident	91 Å²	91	53.2 Å²	53.2	48%	0.476	29%	0.29	S	S	.	.			trans	-75.5	119	-179.2	-175.5	62.6	0	0	0	111.3	N253 L275	N253-L255 VanDerWaalsContact C-N 3.26Å; N253-L255 PolarHBondContact O-N 2.69Å; L255-L275 HydrophobicContact CD2-CD1 4.3Å
256	L	73.9	Confident	75.9	Confident	77 Å²	77	54.3 Å²	54.3	40%	0.403	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	106.4	179.7	-64.9	-175.2	0	0	0	111.1	A247 G254 Q258 T317	A247-L256 HydrophobicContact CB-CB 3.85Å; G254-L256 PolarHBondContact O-N 2.92Å; L256-Q258 VanDerWaalsContact C-N 3.33Å; L256-Q258 PolarHBondContact O-N 2.87Å; L256-T317 HydrophobicContact CD1-CG2 4.02Å; L256-T317 HydrophobicContact CD2-CG2 3.67Å; L256-T317 HydrophobicContact CG-CG2 4.44Å
257	L	80.7	Confident	75.9	Confident	24 Å²	24	57 Å²	57	13%	0.126	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	82.3	173.9	-68.7	154.3	0	0	0	109.4	A247 L248 K250 F270 Q278	A247-L257 VanDerWaalsContact CA-O 3.27Å; A247-L257 WeakPolarHBondContact CA-O 3.46Å; L248-L257 HydrophobicContact CB-CB 4.35Å; L248-L257 HydrophobicContact CD2-CD1 4.46Å; L248-L257 PolarHBondContact N-O 2.84Å; L248-L257 WeakPolarHBondContact O-CB 3.3Å; L248-L257 PolarHBondContact O-N 2.89Å; K250-L257 HydrophobicContact CB-CD1 3.88Å; L257-F270 VanDerWaalsContact O-CZ 3.31Å; L257-F270 WeakPolarHBondContact O-CZ 3.36Å; L257-Q278 VanDerWaalsContact CD1-OE1 3.27Å
258	Q	82.1	Confident	76	Confident	72 Å²	72	57.2 Å²	57.2	34%	0.336	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	135	176.3	176.4	75.1	20.6	0	0	110.7	A247 L256 S272 I274	A247-Q258 HydrophobicContact CB-CB 4.06Å; L256-Q258 VanDerWaalsContact C-N 3.33Å; L256-Q258 PolarHBondContact O-N 2.87Å; Q258-S272 WeakPolarHBondContact O-CB 3.44Å; Q258-S272 PolarHBondContact O-OG 2.82Å; Q258-I274 HydrophobicContact CB-CD1 3.57Å; Q258-I274 HydrophobicContact CG-CD1 4.15Å; Q258-I274 VanDerWaalsContact O-CD1 3.22Å; Q258-I274 WeakPolarHBondContact O-CD1 3.28Å
259	G	84.6	Confident	76	Confident	11 Å²	11	57.1 Å²	57.1	11%	0.113	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.2	-153.3	-170.7	0	0	0	0	0	112.7	C246 Y271	C246-G259 PolarHBondContact N-O 3.44Å; C246-G259 CarbonylContact O-C 3.6Å; C246-G259 PolarHBondContact O-N 2.99Å; C246-G259 VanDerWaalsContact O-O 3.13Å; G259-Y271 CarbonylContact C-O 3.52Å; G259-Y271 WeakPolarHBondContact CA-O 3.35Å
260	R	83.8	Confident	76.3	Confident	76 Å²	76	55.4 Å²	55.4	29%	0.287	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	129.3	179.8	-64.4	179.6	-177.9	174.7	-1.5	110.4	Q219 Y244 Y262 F270 Y271	Q219-R260 VanDerWaalsContact CD-NH1 3.33Å; Y244-R260 WeakPolarHBondContact O-CA 3.36Å; R260-Y262 HydrophobicContact CB-CE2 3.82Å; R260-F270 WeakPolarHBondContact O-CA 3.41Å; R260-F270 WeakPolarHBondContact O-CD2 3.39Å; R260-Y271 PolarHBondContact N-O 3.25Å; R260-Y271 PolarHBondContact O-N 2.94Å
261	M	86.6	Confident	77.1	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	139.1	169	-173.1	-173.1	73.4	0	0	110.2	Y244 I263 V268 C269 F270 F319 L329	Y244-M261 HydrophobicContact CD2-CE 3.61Å; Y244-M261 HydrophobicContact CE2-CE 4.45Å; Y244-M261 HydrophobicContact CG-CE 3.9Å; Y244-M261 PolarHBondContact O-N 2.83Å; M261-I263 HydrophobicContact CE-CD1 3.85Å; M261-I263 HydrophobicContact CE-CG1 4Å; M261-V268 HydrophobicContact CG-CG1 3.87Å; M261-V268 HydrophobicContact SD-CG1 3.87Å; M261-C269 CarbonylContact C-O 3.55Å; M261-C269 WeakPolarHBondContact CA-O 3.45Å; M261-F270 HydrophobicContact CB-CD2 4.22Å; M261-F319 HydrophobicContact CE-CE1 3.91Å; M261-F319 HydrophobicContact SD-CE1 4.39Å; M261-L329 HydrophobicContact CE-CD1 3.97Å; M261-L329 HydrophobicContact CE-CD2 4.15Å; M261-L329 HydrophobicContact CE-CG 4.17Å; M261-L329 HydrophobicContact SD-CD1 4.21Å; M261-L329 HydrophobicContact SD-CD2 4.22Å
262	Y	83.2	Confident	78.2	Confident	16 Å²	16	46.7 Å²	46.7	6%	0.063	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	140.9	175.8	-59.4	-98.3	0	0	0	107.7	F220 F224 R260 C269	F220-Y262 HydrophobicContact CB-CE1 4.32Å; F220-Y262 AromaticContact CD2-CD1 3.61Å; F220-Y262 HydrophobicContact CD2-CD1 3.61Å; F220-Y262 HydrophobicContact CD2-CE1 4.03Å; F220-Y262 AromaticContact CD2-CG 3.88Å; F220-Y262 HydrophobicContact CD2-CG 3.88Å; F220-Y262 HydrophobicContact CE2-CD1 4.32Å; F220-Y262 HydrophobicContact CE2-CG 4.2Å; F224-Y262 AromaticContact CE2-CD2 3.98Å; F224-Y262 HydrophobicContact CE2-CD2 3.98Å; F224-Y262 HydrophobicContact CE2-CE2 4.16Å; F224-Y262 HydrophobicContact CE2-CG 4.48Å; F224-Y262 HydrophobicContact CZ-CD2 4.34Å; R260-Y262 HydrophobicContact CB-CE2 3.82Å; Y262-C269 PolarHBondContact N-O 3.08Å; Y262-C269 PolarHBondContact O-N 2.87Å
263	I	82	Confident	79.1	Confident	16 Å²	16	45.4 Å²	45.4	8%	0.082	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.3	179.6	-52.9	171.9	0	0	0	107.2	L239 Y244 M261 I328 L329 V332	L239-I263 HydrophobicContact CD1-CB 4.42Å; L239-I263 HydrophobicContact CD1-CG2 4.41Å; L239-I263 WeakPolarHBondContact CD1-O 3.32Å; Y244-I263 HydrophobicContact CD2-CD1 4.2Å; Y244-I263 HydrophobicContact CE2-CD1 3.92Å; M261-I263 HydrophobicContact CE-CD1 3.85Å; M261-I263 HydrophobicContact CE-CG1 4Å; I263-I328 HydrophobicContact CD1-CG2 3.81Å; I263-L329 HydrophobicContact CD1-CD2 3.65Å; I263-L329 HydrophobicContact CD1-CG 3.81Å; I263-L329 HydrophobicContact CG1-CD2 3.96Å; I263-V332 HydrophobicContact CG2-CB 4.48Å; I263-V332 HydrophobicContact CG2-CG1 4.25Å; I263-V332 HydrophobicContact CG2-CG2 4.17Å
264	T	79.1	Confident	79.4	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.018	23%	0.234	C	C	.	.			trans	-121	-179.8	167.5	74.8	0	0	0	0	109.6	L234 T266 W267 V332	L234-T264 HydrophobicContact CD1-CG2 4.47Å; T264-T266 PolarHBondContact O-N 2.88Å; T264-T266 PolarHBondContact OG1-N 3.48Å; T264-W267 PolarHBondContact N-O 2.81Å; T264-W267 PolarHBondContact OG1-N 2.98Å; T264-W267 PolarHBondContact OG1-O 3.47Å; T264-V332 WeakPolarHBondContact O-CG1 3.44Å
265	E	75	Confident	79.4	Confident	87 Å²	87	47.6 Å²	47.6	41%	0.407	23%	0.233	S	C	.	.	S	Bend	trans	-59.7	-25.5	177.8	-139.4	145.6	-135.2	0	0	113.4	S237 I351	S237-E265 PolarHBondContact OG-OE2 3.24Å; E265-I351 HydrophobicContact CB-CD1 3.65Å; E265-I351 HydrophobicContact CG-CD1 3.66Å; E265-I351 HydrophobicContact CG-CG1 4.06Å; E265-I351 WeakPolarHBondContact OE1-CD1 3.49Å; E265-I351 WeakPolarHBondContact OE1-CG1 3.46Å
266	T	77	Confident	79.5	Confident	77 Å²	77	52.2 Å²	52.2	47%	0.472	25%	0.245	S	C	.	.	S	Bend	trans	-129.1	-15.4	-171.5	47.8	0	0	0	0	114.8	T264 V284	T264-T266 PolarHBondContact O-N 2.88Å; T264-T266 PolarHBondContact OG1-N 3.48Å; T266-V284 VanDerWaalsContact C-CG2 3.45Å; T266-V284 WeakPolarHBondContact O-CG2 3.37Å; T266-V284 PolarHBondContact O-N 2.97Å
267	W	83.8	Confident	79.5	Confident	56 Å²	56	53.1 Å²	53.1	21%	0.212	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	143.4	-175.8	-63.7	93.5	0	0	0	113.2	P228 V229 T264 F281 L282 A283	P228-W267 HydrophobicContact CG-CH2 4.36Å; V229-W267 HydrophobicContact CG1-CG 4.49Å; V229-W267 HydrophobicContact CG2-CB 4.48Å; V229-W267 HydrophobicContact CG2-CD2 3.94Å; V229-W267 HydrophobicContact CG2-CE3 4.5Å; V229-W267 HydrophobicContact CG2-CG 3.92Å; T264-W267 PolarHBondContact N-O 2.81Å; T264-W267 PolarHBondContact OG1-N 2.98Å; T264-W267 PolarHBondContact OG1-O 3.47Å; W267-F281 HydrophobicContact CE3-CB 3.92Å; W267-F281 HydrophobicContact CZ3-CB 3.94Å; W267-L282 WeakPolarHBondContact CA-O 3.24Å; W267-A283 HydrophobicContact CE3-CB 3.95Å; W267-A283 HydrophobicContact CH2-CB 4.08Å; W267-A283 HydrophobicContact CZ3-CB 3.69Å
268	V	87.6	Confident	79.5	Confident	5 Å²	5	54.1 Å²	54.1	3%	0.03	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	110.6	162	-178.4	0	0	0	0	108.1	M261 L282 V284 I287 I305 L329	M261-V268 HydrophobicContact CG-CG1 3.87Å; M261-V268 HydrophobicContact SD-CG1 3.87Å; V268-L282 HydrophobicContact CB-CB 4.37Å; V268-L282 PolarHBondContact N-O 3.27Å; V268-L282 PolarHBondContact O-N 3.44Å; V268-V284 HydrophobicContact CG2-CG2 4.11Å; V268-I287 HydrophobicContact CG2-CD1 4.25Å; V268-I305 HydrophobicContact CG1-CD1 4.45Å; V268-L329 HydrophobicContact CG1-CD2 4.02Å; V268-L329 HydrophobicContact CG2-CD2 3.74Å
269	C	86.7	Confident	79.5	Confident	0 Å²	0	54 Å²	54	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	143.7	-176.4	-56.6	0	0	0	0	110.8	F224 M261 Y262 I280 F281	F224-C269 HydrophobicContact CE1-CB 4.44Å; F224-C269 HydrophobicContact CE2-CB 4.28Å; F224-C269 HydrophobicContact CZ-CB 3.95Å; M261-C269 CarbonylContact C-O 3.55Å; M261-C269 WeakPolarHBondContact CA-O 3.45Å; Y262-C269 PolarHBondContact N-O 3.08Å; Y262-C269 PolarHBondContact O-N 2.87Å; C269-I280 CarbonylContact C-O 3.59Å; C269-I280 VanDerWaalsContact CA-O 3.28Å; C269-I280 WeakPolarHBondContact CA-O 3.17Å; C269-F281 HydrophobicContact CB-CD1 4.41Å
270	F	87.7	Confident	79.6	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.009	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	139.3	176	176.9	-95.8	0	0	0	111.7	L248 L257 R260 M261 K279 I280 F316	L248-F270 HydrophobicContact CB-CE1 3.99Å; L248-F270 HydrophobicContact CB-CZ 4.18Å; L257-F270 VanDerWaalsContact O-CZ 3.31Å; L257-F270 WeakPolarHBondContact O-CZ 3.36Å; R260-F270 WeakPolarHBondContact O-CA 3.41Å; R260-F270 WeakPolarHBondContact O-CD2 3.39Å; M261-F270 HydrophobicContact CB-CD2 4.22Å; F270-K279 CarbonylContact O-C 3.3Å; F270-K279 WeakPolarHBondContact O-CA 3.2Å; F270-I280 HydrophobicContact CB-CB 4.31Å; F270-I280 HydrophobicContact CD1-CD1 4.28Å; F270-I280 PolarHBondContact N-O 2.88Å; F270-I280 PolarHBondContact O-N 3.04Å; F270-F316 HydrophobicContact CB-CE1 4.07Å; F270-F316 HydrophobicContact CD1-CE1 4.48Å; F270-F316 HydrophobicContact CD2-CD1 4.25Å; F270-F316 AromaticContact CD2-CE1 3.81Å; F270-F316 HydrophobicContact CD2-CE1 3.81Å; F270-F316 HydrophobicContact CE2-CE1 4.41Å; F270-F316 AromaticContact CG-CE1 3.85Å; F270-F316 HydrophobicContact CG-CE1 3.85Å
271	Y	84.1	Confident	79.7	Confident	23 Å²	23	53.3 Å²	53.3	9%	0.09	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	126.7	-179.4	179.7	-102.7	0	0	0	111.7	I223 G259 R260 K273 E277 Q278 K279	I223-Y271 HydrophobicContact CD1-CD1 3.86Å; I223-Y271 HydrophobicContact CD1-CD2 4.4Å; I223-Y271 HydrophobicContact CD1-CE1 3.91Å; I223-Y271 HydrophobicContact CD1-CE2 4.43Å; I223-Y271 HydrophobicContact CD1-CG 4.11Å; I223-Y271 HydrophobicContact CG1-CE1 4.45Å; I223-Y271 HydrophobicContact CG1-CE2 4.26Å; I223-Y271 HydrophobicContact CG2-CD2 3.32Å; I223-Y271 HydrophobicContact CG2-CE2 3.6Å; I223-Y271 HydrophobicContact CG2-CG 3.87Å; G259-Y271 CarbonylContact C-O 3.52Å; G259-Y271 WeakPolarHBondContact CA-O 3.35Å; R260-Y271 PolarHBondContact N-O 3.25Å; R260-Y271 PolarHBondContact O-N 2.94Å; Y271-K273 HydrophobicContact CE1-CB 3.97Å; Y271-K273 WeakPolarHBondContact OH-CD 3.33Å; Y271-E277 HydrophobicContact CE2-CG 3.6Å; Y271-E277 PolarHBondContact OH-OE2 3.04Å; Y271-Q278 WeakPolarHBondContact CA-O 3.42Å; Y271-K279 HydrophobicContact CD2-CG 4.02Å; Y271-K279 HydrophobicContact CE2-CG 4.48Å
272	S	82.9	Confident	79.8	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.007	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	152	167.5	-175.4	0	0	0	0	111.2	Q258 E277 Q278	Q258-S272 WeakPolarHBondContact O-CB 3.44Å; Q258-S272 PolarHBondContact O-OG 2.82Å; S272-E277 WeakPolarHBondContact O-CA 3.43Å; S272-Q278 PolarHBondContact N-O 2.82Å; S272-Q278 PolarHBondContact O-N 3.02Å
273	K	75.1	Confident	80	Confident	146 Å²	146	53.1 Å²	53.1	64%	0.635	25%	0.248	S	C	*	.			trans	-140.2	20.8	-175.9	-151.9	-165.5	-177.1	171.8	0	113.8	Y271	Y271-K273 HydrophobicContact CE1-CB 3.97Å; Y271-K273 WeakPolarHBondContact OH-CD 3.33Å
274	I	65.8	Low	80.2	Confident	110 Å²	110	52.5 Å²	52.5	56%	0.564	25%	0.245	S	C	*	.	S	Bend	trans	-85.5	-29.8	-168.1	-66	-179.5	0	0	0	113.2	Q258	Q258-I274 HydrophobicContact CB-CD1 3.57Å; Q258-I274 HydrophobicContact CG-CD1 4.15Å; Q258-I274 VanDerWaalsContact O-CD1 3.22Å; Q258-I274 WeakPolarHBondContact O-CD1 3.28Å
275	L	60.8	Low	80.5	Confident	106 Å²	106	56.8 Å²	56.8	56%	0.555	27%	0.268	S	S	*	.	S	Bend	trans	-129.5	-48.3	175.3	-65.1	174.5	0	0	0	110.8	L255	L255-L275 HydrophobicContact CD2-CD1 4.3Å
276	Y	66.6	Low	81.1	Confident	188 Å²	188	55 Å²	55	74%	0.737	26%	0.259	S	S	*	.	S	Bend	trans	-130.4	158.3	171.7	-61.6	-80.3	0	0	0	109.1	Q278	Y276-Q278 PolarHBondContact O-N 3.38Å
277	E	75.1	Confident	81.8	Confident	96 Å²	96	51.7 Å²	51.7	45%	0.449	24%	0.239	S	C	.	.			trans	-77.3	101.6	171.5	-179.5	154.5	143.4	0	0	109.2	Y271 S272 K279	Y271-E277 HydrophobicContact CE2-CG 3.6Å; Y271-E277 PolarHBondContact OH-OE2 3.04Å; S272-E277 WeakPolarHBondContact O-CA 3.43Å; E277-K279 WeakPolarHBondContact OE1-CE 3.18Å; E277-K279 IonicContact OE1-NZ 2.78Å; E277-K279 PolarHBondContact OE1-NZ 3.19Å
278	Q	79.1	Confident	82	Confident	46 Å²	46	52.2 Å²	52.2	22%	0.215	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	121.4	-179.7	-173.6	172.8	-20.8	0	0	110.4	L257 Y271 S272 Y276 I280	L257-Q278 VanDerWaalsContact CD1-OE1 3.27Å; Y271-Q278 WeakPolarHBondContact CA-O 3.42Å; S272-Q278 PolarHBondContact N-O 2.82Å; S272-Q278 PolarHBondContact O-N 3.02Å; Y276-Q278 PolarHBondContact O-N 3.38Å; Q278-I280 HydrophobicContact CG-CG1 4.49Å
279	K	83.4	Confident	82.2	Confident	70 Å²	70	53.4 Å²	53.4	30%	0.304	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	138.7	174.2	-62.7	173.6	-168.8	178.6	0	109	I223 F224 F270 Y271 E277 F281	I223-K279 WeakPolarHBondContact O-CE 3.5Å; I223-K279 PolarHBondContact O-NZ 3.22Å; F224-K279 HydrophobicContact CD1-CD 4.36Å; F224-K279 HydrophobicContact CE1-CB 4.38Å; F224-K279 HydrophobicContact CE1-CD 4.4Å; F224-K279 HydrophobicContact CE1-CG 4.18Å; F270-K279 CarbonylContact O-C 3.3Å; F270-K279 WeakPolarHBondContact O-CA 3.2Å; Y271-K279 HydrophobicContact CD2-CG 4.02Å; Y271-K279 HydrophobicContact CE2-CG 4.48Å; E277-K279 WeakPolarHBondContact OE1-CE 3.18Å; E277-K279 IonicContact OE1-NZ 2.78Å; E277-K279 PolarHBondContact OE1-NZ 3.19Å; K279-F281 HydrophobicContact CB-CE2 3.64Å; K279-F281 HydrophobicContact CB-CZ 3.72Å; K279-F281 HydrophobicContact CD-CZ 4.33Å; K279-F281 HydrophobicContact CG-CZ 4.46Å
280	I	86	Confident	82.4	Confident	19 Å²	19	53.9 Å²	53.9	10%	0.097	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	142	173	-60.1	174.5	0	0	0	107.9	L248 C269 F270 Q278 L282 F314	L248-I280 HydrophobicContact CD2-CD1 3.32Å; C269-I280 CarbonylContact C-O 3.59Å; C269-I280 VanDerWaalsContact CA-O 3.28Å; C269-I280 WeakPolarHBondContact CA-O 3.17Å; F270-I280 HydrophobicContact CB-CB 4.31Å; F270-I280 HydrophobicContact CD1-CD1 4.28Å; F270-I280 PolarHBondContact N-O 2.88Å; F270-I280 PolarHBondContact O-N 3.04Å; Q278-I280 HydrophobicContact CG-CG1 4.49Å; I280-L282 HydrophobicContact CG2-CD2 3.76Å; I280-L282 HydrophobicContact CG2-CG 4.03Å; I280-F314 HydrophobicContact CD1-CD1 4.28Å; I280-F314 HydrophobicContact CD1-CE1 4.13Å; I280-F314 HydrophobicContact CG2-CE1 4.2Å
281	F	86.5	Confident	82.6	Confident	52 Å²	52	56.3 Å²	56.3	23%	0.228	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	114.5	179.5	-47.3	-94.4	0	0	0	106.8	F224 T227 V229 W267 C269 K279	F224-F281 HydrophobicContact CD1-CD1 4.5Å; F224-F281 AromaticContact CD1-CE1 3.32Å; F224-F281 HydrophobicContact CD1-CE1 3.32Å; F224-F281 AromaticContact CD1-CZ 3.59Å; F224-F281 HydrophobicContact CD1-CZ 3.59Å; F224-F281 AromaticContact CE1-CE1 3.56Å; F224-F281 HydrophobicContact CE1-CE1 3.56Å; F224-F281 AromaticContact CE1-CZ 3.77Å; F224-F281 HydrophobicContact CE1-CZ 3.77Å; F224-F281 HydrophobicContact CG-CE1 4.23Å; T227-F281 HydrophobicContact CG2-CE1 3.72Å; T227-F281 HydrophobicContact CG2-CE2 4.32Å; T227-F281 HydrophobicContact CG2-CZ 3.41Å; T227-F281 VanDerWaalsContact CG2-CZ 3.41Å; V229-F281 HydrophobicContact CG2-CD1 3.76Å; V229-F281 HydrophobicContact CG2-CE1 4.28Å; W267-F281 HydrophobicContact CE3-CB 3.92Å; W267-F281 HydrophobicContact CZ3-CB 3.94Å; C269-F281 HydrophobicContact CB-CD1 4.41Å; K279-F281 HydrophobicContact CB-CE2 3.64Å; K279-F281 HydrophobicContact CB-CZ 3.72Å; K279-F281 HydrophobicContact CD-CZ 4.33Å; K279-F281 HydrophobicContact CG-CZ 4.46Å
282	L	88.3	Confident	83	Confident	4 Å²	4	59.7 Å²	59.7	2%	0.021	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	114.9	175.3	-53.4	-179	0	0	0	107	W267 V268 I280 V284 I305 Y307 F314	W267-L282 WeakPolarHBondContact CA-O 3.24Å; V268-L282 HydrophobicContact CB-CB 4.37Å; V268-L282 PolarHBondContact N-O 3.27Å; V268-L282 PolarHBondContact O-N 3.44Å; I280-L282 HydrophobicContact CG2-CD2 3.76Å; I280-L282 HydrophobicContact CG2-CG 4.03Å; L282-V284 PolarHBondContact O-N 3.44Å; L282-I305 HydrophobicContact CD1-CB 4.47Å; L282-I305 HydrophobicContact CD1-CD1 4.42Å; L282-I305 HydrophobicContact CD1-CG2 4.01Å; L282-Y307 HydrophobicContact CB-CD2 4.01Å; L282-Y307 HydrophobicContact CB-CE2 3.62Å; L282-Y307 HydrophobicContact CD2-CD2 3.79Å; L282-Y307 HydrophobicContact CD2-CE2 3.84Å; L282-Y307 HydrophobicContact CD2-CG 4.16Å; L282-Y307 HydrophobicContact CG-CD2 4.33Å; L282-Y307 HydrophobicContact CG-CE2 4.29Å; L282-F314 HydrophobicContact CD1-CB 4.48Å; L282-F314 HydrophobicContact CD1-CD2 3.98Å; L282-F314 HydrophobicContact CD1-CE2 4.5Å; L282-F314 HydrophobicContact CD1-CG 4.18Å; L282-F314 HydrophobicContact CD2-CD2 3.94Å; L282-F314 HydrophobicContact CD2-CE1 4.46Å; L282-F314 HydrophobicContact CD2-CE2 3.61Å; L282-F314 HydrophobicContact CD2-CZ 3.91Å
283	A	87.8	Confident	83.3	Confident	9 Å²	9	62.3 Å²	62.3	7%	0.074	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	131.4	174.6	0	0	0	0	0	108.6	W267 N285 E286 Y307	W267-A283 HydrophobicContact CE3-CB 3.95Å; W267-A283 HydrophobicContact CH2-CB 4.08Å; W267-A283 HydrophobicContact CZ3-CB 3.69Å; A283-N285 WeakPolarHBondContact CB-OD1 3.2Å; A283-N285 PolarHBondContact O-N 2.84Å; A283-E286 HydrophobicContact CB-CB 4.36Å; A283-E286 HydrophobicContact CB-CG 4.4Å; A283-E286 PolarHBondContact O-N 3.49Å; A283-Y307 PolarHBondContact N-OH 2.96Å; A283-Y307 VanDerWaalsContact N-OH 3.14Å
284	V	86.1	Confident	83.8	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.012	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-65.1	-30.3	-170.2	174.5	0	0	0	0	111.8	T266 V268 L282 I287 V332 W333 C336	T266-V284 VanDerWaalsContact C-CG2 3.45Å; T266-V284 WeakPolarHBondContact O-CG2 3.37Å; T266-V284 PolarHBondContact O-N 2.97Å; V268-V284 HydrophobicContact CG2-CG2 4.11Å; L282-V284 PolarHBondContact O-N 3.44Å; V284-I287 WeakPolarHBondContact O-CB 3.07Å; V284-I287 PolarHBondContact O-N 2.93Å; V284-V332 HydrophobicContact CG1-CG1 4.29Å; V284-V332 HydrophobicContact CG2-CG1 4.25Å; V284-W333 HydrophobicContact CG1-CB 4.25Å; V284-C336 HydrophobicContact CB-CB 4.29Å; V284-C336 HydrophobicContact CG1-CB 3.5Å
285	N	85.7	Confident	84.6	Confident	94 Å²	94	57.4 Å²	57.4	50%	0.503	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-69.1	-25.6	172.4	62.1	-16.7	0	0	0	114.1	A283 I287	A283-N285 WeakPolarHBondContact CB-OD1 3.2Å; A283-N285 PolarHBondContact O-N 2.84Å; N285-I287 VanDerWaalsContact C-N 3.31Å
286	E	87.9	Confident	84.9	Confident	48 Å²	48	56.6 Å²	56.6	22%	0.224	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-85.8	2.4	174.9	-71.9	-172.9	-177.3	0	0	112.2	A283 Y307 S308 K309	A283-E286 HydrophobicContact CB-CB 4.36Å; A283-E286 HydrophobicContact CB-CG 4.4Å; A283-E286 PolarHBondContact O-N 3.49Å; E286-Y307 HydrophobicContact CB-CD2 4.27Å; E286-Y307 HydrophobicContact CB-CE1 4.1Å; E286-Y307 HydrophobicContact CB-CE2 3.55Å; E286-Y307 VanDerWaalsContact CB-CZ 3.46Å; E286-Y307 WeakPolarHBondContact CB-OH 3.45Å; E286-Y307 WeakPolarHBondContact OE2-CE1 3.38Å; E286-Y307 PolarHBondContact OE2-OH 2.88Å; E286-S308 WeakPolarHBondContact CB-OG 3.38Å; E286-S308 WeakPolarHBondContact O-CB 3.36Å; E286-S308 PolarHBondContact O-N 2.91Å; E286-S308 PolarHBondContact O-OG 2.82Å; E286-S308 VanDerWaalsContact O-OG 3.1Å; E286-K309 IonicContact OE1-NZ 3.49Å; E286-K309 PolarHBondContact OE1-NZ 2.85Å; E286-K309 IonicContact OE2-NZ 2.68Å; E286-K309 PolarHBondContact OE2-NZ 2.91Å
287	I	90.3	Very high	85	Confident	9 Å²	9	58.5 Å²	58.5	5%	0.046	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	124.1	174.6	-62	175.1	0	0	0	110.9	V268 V284 N285 I290 I305 Y307 W333	V268-I287 HydrophobicContact CG2-CD1 4.25Å; V284-I287 WeakPolarHBondContact O-CB 3.07Å; V284-I287 PolarHBondContact O-N 2.93Å; N285-I287 VanDerWaalsContact C-N 3.31Å; I287-I290 HydrophobicContact CG2-CD1 4.13Å; I287-I290 HydrophobicContact CG2-CG1 3.7Å; I287-I305 HydrophobicContact CD1-CG2 4.02Å; I287-I305 HydrophobicContact CG1-CG2 3.94Å; I287-I305 HydrophobicContact CG2-CG2 3.89Å; I287-Y307 HydrophobicContact CG1-CD2 4.39Å; I287-W333 HydrophobicContact CG2-CD2 4.47Å; I287-W333 HydrophobicContact CG2-CG 4.36Å; I287-W333 PolarHBondContact O-NE1 3.07Å
288	V	89.5	Confident	84.8	Confident	67 Å²	67	59.7 Å²	59.7	41%	0.406	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-38.9	179.8	-177.6	0	0	0	0	112.2	L306 W333	V288-L306 HydrophobicContact CB-CB 4.43Å; V288-L306 HydrophobicContact CB-CD2 3.99Å; V288-L306 HydrophobicContact CB-CG 4.07Å; V288-L306 HydrophobicContact CG1-CD2 3.92Å; V288-L306 PolarHBondContact N-O 3.03Å; V288-W333 WeakPolarHBondContact O-CZ2 3.21Å
289	A	90.2	Very high	84.8	Confident	30 Å²	30	62.1 Å²	62.1	25%	0.248	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	151.9	-179	0	0	0	0	0	112.2	L306	A289-L306 HydrophobicContact CB-CB 4.21Å; A289-L306 HydrophobicContact CB-CD2 4.42Å; A289-L306 PolarHBondContact O-N 2.87Å
290	I	92	Very high	84.8	Confident	10 Å²	10	62.1 Å²	62.1	5%	0.051	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	112.5	173.9	-51	-177.9	0	0	0	108.4	I287 I303 Q304 I305 Y326 L329 W333	I287-I290 HydrophobicContact CG2-CD1 4.13Å; I287-I290 HydrophobicContact CG2-CG1 3.7Å; I290-I303 HydrophobicContact CG2-CG2 3.69Å; I290-Q304 WeakPolarHBondContact CA-O 3.39Å; I290-I305 HydrophobicContact CG2-CG1 4.43Å; I290-Y326 HydrophobicContact CB-CE2 4.46Å; I290-Y326 HydrophobicContact CG2-CD2 4.06Å; I290-Y326 HydrophobicContact CG2-CE2 3.89Å; I290-Y326 VanDerWaalsContact O-CE2 3.31Å; I290-Y326 WeakPolarHBondContact O-CE2 3.44Å; I290-Y326 PolarHBondContact O-OH 2.6Å; I290-L329 HydrophobicContact CD1-CB 4.21Å; I290-W333 HydrophobicContact CD1-CB 3.82Å; I290-W333 HydrophobicContact CD1-CD2 4.18Å; I290-W333 HydrophobicContact CD1-CE3 4.28Å; I290-W333 HydrophobicContact CD1-CG 4.01Å; I290-W333 HydrophobicContact CG1-CD2 4.37Å; I290-W333 HydrophobicContact CG1-CE3 4.34Å
291	T	91.8	Very high	84.8	Confident	52 Å²	52	63.1 Å²	63.1	32%	0.319	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	153.4	-175.6	62	0	0	0	0	112.8	E293 I303 Q304	T291-E293 VanDerWaalsContact CB-OE1 3.25Å; T291-E293 WeakPolarHBondContact CB-OE1 3.47Å; T291-E293 PolarHBondContact OG1-OE1 2.78Å; T291-I303 WeakPolarHBondContact O-CA 3.25Å; T291-Q304 PolarHBondContact N-O 2.81Å; T291-Q304 PolarHBondContact O-N 2.91Å; T291-Q304 VanDerWaalsContact O-N 3.11Å
292	K	92.1	Very high	84.9	Confident	94 Å²	94	60.6 Å²	60.6	41%	0.409	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	106.9	178.2	-71.3	-172.5	-177.8	-179.7	0	110.1	Y326	K292-Y326 HydrophobicContact CD-CD1 4.29Å; K292-Y326 HydrophobicContact CD-CD2 4.37Å; K292-Y326 HydrophobicContact CD-CE1 4.41Å; K292-Y326 HydrophobicContact CD-CE2 4.49Å; K292-Y326 HydrophobicContact CD-CG 4.27Å; K292-Y326 VanDerWaalsContact CE-CG 3.44Å; K292-Y326 HydrophobicContact CG-CD1 4.22Å; K292-Y326 HydrophobicContact CG-CD2 3.45Å; K292-Y326 VanDerWaalsContact CG-CD2 3.45Å; K292-Y326 HydrophobicContact CG-CE1 4.28Å; K292-Y326 HydrophobicContact CG-CE2 3.54Å; K292-Y326 HydrophobicContact CG-CG 3.82Å
293	E	89.6	Confident	85.1	Confident	56 Å²	56	60.4 Å²	60.4	26%	0.262	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	170.1	-173	-62.5	-51.3	144.6	0	0	114	T291 A302 Q304 F315 R322	T291-E293 VanDerWaalsContact CB-OE1 3.25Å; T291-E293 WeakPolarHBondContact CB-OE1 3.47Å; T291-E293 PolarHBondContact OG1-OE1 2.78Å; E293-A302 HydrophobicContact CB-CB 3.7Å; E293-A302 PolarHBondContact N-O 2.83Å; E293-A302 PolarHBondContact O-N 2.89Å; E293-Q304 HydrophobicContact CG-CB 3.57Å; E293-F315 HydrophobicContact CB-CD2 4.4Å; E293-F315 HydrophobicContact CB-CE2 3.62Å; E293-F315 HydrophobicContact CB-CZ 4.19Å; E293-F315 HydrophobicContact CG-CD2 4.27Å; E293-F315 HydrophobicContact CG-CE2 3.89Å; E293-R322 PolarHBondContact O-NH1 2.73Å
294	K	85.6	Confident	85.3	Confident	126 Å²	126	62 Å²	62	55%	0.548	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	121.8	173.2	-56.7	-179	-171.4	173	0	110.9	A296 R297 I299	K294-A296 PolarHBondContact O-N 3.47Å; K294-R297 WeakPolarHBondContact CD-O 3.32Å; K294-I299 CarbonylContact C-O 3.59Å; K294-I299 WeakPolarHBondContact CA-O 3.37Å
295	T	81.5	Confident	85.5	Confident	28 Å²	28	62 Å²	62	17%	0.172	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	127.8	170	-40.5	0	0	0	0	109.4	R297 V298 I299 T317	T295-R297 PolarHBondContact O-N 2.94Å; T295-V298 PolarHBondContact O-N 2.88Å; T295-I299 PolarHBondContact N-O 2.81Å; T295-I299 PolarHBondContact O-N 2.91Å; T295-T317 VanDerWaalsContact CG2-OG1 3.25Å; T295-T317 WeakPolarHBondContact CG2-OG1 3.41Å; T295-T317 PolarHBondContact OG1-OG1 3.23Å
296	A	68.9	Low	85.8	Confident	89 Å²	89	59.5 Å²	59.5	74%	0.736	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	38.2	-178.6	0	0	0	0	0	114.3	K294 V298	K294-A296 PolarHBondContact O-N 3.47Å; A296-V298 PolarHBondContact O-N 3.22Å
297	R	68.3	Low	85.9	Confident	228 Å²	228	58.2 Å²	58.2	86%	0.86	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	-21.6	-175.9	-61.7	-177.9	174.9	-178.6	-2.1	116.8	K294 T295	K294-R297 WeakPolarHBondContact CD-O 3.32Å; T295-R297 PolarHBondContact O-N 2.94Å
298	V	70.6	Confident	85.6	Confident	121 Å²	121	60 Å²	60	73%	0.733	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-45.6	-173	-179.9	0	0	0	0	112.7	T295 A296 P300	T295-V298 PolarHBondContact O-N 2.88Å; A296-V298 PolarHBondContact O-N 3.22Å; V298-P300 WeakPolarHBondContact O-CD 3.48Å
299	I	78.8	Confident	84.8	Confident	97 Å²	97	63.5 Å²	63.5	50%	0.497	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	114.8	-167.9	-54.8	176.4	0	0	0	109.3	K294 T295 N301	K294-I299 CarbonylContact C-O 3.59Å; K294-I299 WeakPolarHBondContact CA-O 3.37Å; T295-I299 PolarHBondContact N-O 2.81Å; T295-I299 PolarHBondContact O-N 2.91Å; I299-N301 HydrophobicContact CG2-CB 3.79Å; I299-N301 PolarHBondContact O-N 3.4Å
300	P	83.4	Confident	84.1	Confident	70 Å²	70	66.6 Å²	66.6	46%	0.455	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	58.3	-175.9	35.2	-37.3	0	0	0	111.6	V298 R322	V298-P300 WeakPolarHBondContact O-CD 3.48Å; P300-R322 VanDerWaalsContact O-CD 3.24Å; P300-R322 WeakPolarHBondContact O-CD 3.45Å; P300-R322 VanDerWaalsContact O-CZ 3.28Å; P300-R322 PolarHBondContact O-NE 3.24Å
301	N	86.2	Confident	83.5	Confident	39 Å²	39	73.2 Å²	73.2	21%	0.209	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	37.7	-171.7	-162	9.8	0	0	0	113.7	I299 T317 S318 F319	I299-N301 HydrophobicContact CG2-CB 3.79Å; I299-N301 PolarHBondContact O-N 3.4Å; N301-T317 CarbonylContact O-C 3.42Å; N301-T317 WeakPolarHBondContact O-CA 3.45Å; N301-S318 PolarHBondContact O-N 3.11Å; N301-F319 VanDerWaalsContact CG-O 3.26Å; N301-F319 PolarHBondContact ND2-O 3.14Å; N301-F319 WeakPolarHBondContact OD1-CA 3.49Å; N301-F319 WeakPolarHBondContact OD1-CB 3.39Å; N301-F319 PolarHBondContact OD1-N 3.17Å; N301-F319 PolarHBondContact OD1-O 2.77Å
302	A	89.2	Confident	83.1	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	152.8	175.3	0	0	0	0	0	113	E293 F315 F316 R322	E293-A302 HydrophobicContact CB-CB 3.7Å; E293-A302 PolarHBondContact N-O 2.83Å; E293-A302 PolarHBondContact O-N 2.89Å; A302-F315 HydrophobicContact CB-CE1 3.71Å; A302-F315 HydrophobicContact CB-CE2 4.04Å; A302-F315 HydrophobicContact CB-CZ 3.42Å; A302-F315 VanDerWaalsContact CB-CZ 3.42Å; A302-F316 CarbonylContact C-O 3.58Å; A302-F316 WeakPolarHBondContact CA-O 3.47Å; A302-F316 VanDerWaalsContact CB-O 3.26Å; A302-F316 WeakPolarHBondContact CB-O 3.45Å; A302-R322 WeakPolarHBondContact O-CD 3.36Å
303	I	91.6	Very high	82.8	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	128.6	174.1	-58.4	177.3	0	0	0	106.4	I290 T291 F316 F319 R322 Y326 L329	I290-I303 HydrophobicContact CG2-CG2 3.69Å; T291-I303 WeakPolarHBondContact O-CA 3.25Å; I303-F316 PolarHBondContact N-O 2.84Å; I303-F316 PolarHBondContact O-N 2.84Å; I303-F319 HydrophobicContact CB-CE2 3.86Å; I303-F319 HydrophobicContact CB-CZ 4.17Å; I303-F319 HydrophobicContact CD1-CD2 4.31Å; I303-F319 HydrophobicContact CD1-CE1 4.35Å; I303-F319 HydrophobicContact CD1-CE2 3.88Å; I303-F319 HydrophobicContact CD1-CZ 3.9Å; I303-F319 HydrophobicContact CG1-CD2 4.24Å; I303-F319 HydrophobicContact CG1-CE2 3.74Å; I303-F319 HydrophobicContact CG1-CZ 4.18Å; I303-R322 HydrophobicContact CD1-CG 4.12Å; I303-R322 HydrophobicContact CG1-CG 3.75Å; I303-Y326 HydrophobicContact CG2-CD2 4.36Å; I303-L329 HydrophobicContact CD1-CD1 4.08Å; I303-L329 HydrophobicContact CG2-CD1 4.15Å
304	Q	91.5	Very high	82.8	Confident	43 Å²	43	76.5 Å²	76.5	20%	0.201	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	131.7	175	178.4	-179	-94.5	0	0	109.7	I290 T291 E293 R313 F314 F315	I290-Q304 WeakPolarHBondContact CA-O 3.39Å; T291-Q304 PolarHBondContact N-O 2.81Å; T291-Q304 PolarHBondContact O-N 2.91Å; T291-Q304 VanDerWaalsContact O-N 3.11Å; E293-Q304 HydrophobicContact CG-CB 3.57Å; Q304-R313 HydrophobicContact CG-CB 4.4Å; Q304-F314 WeakPolarHBondContact CA-O 3.3Å; Q304-F315 HydrophobicContact CB-CD2 4.31Å
305	I	92.2	Very high	82.9	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124	175.5	-59.7	-177.3	0	0	0	107.6	V268 L282 I287 I290 F314 F316 L329	V268-I305 HydrophobicContact CG1-CD1 4.45Å; L282-I305 HydrophobicContact CD1-CB 4.47Å; L282-I305 HydrophobicContact CD1-CD1 4.42Å; L282-I305 HydrophobicContact CD1-CG2 4.01Å; I287-I305 HydrophobicContact CD1-CG2 4.02Å; I287-I305 HydrophobicContact CG1-CG2 3.94Å; I287-I305 HydrophobicContact CG2-CG2 3.89Å; I290-I305 HydrophobicContact CG2-CG1 4.43Å; I305-F314 HydrophobicContact CB-CB 4.49Å; I305-F314 PolarHBondContact N-O 3.33Å; I305-F314 PolarHBondContact O-N 3.23Å; I305-F316 HydrophobicContact CD1-CD2 4.3Å; I305-F316 HydrophobicContact CD1-CE2 3.94Å; I305-F316 HydrophobicContact CG1-CD2 4.4Å; I305-F316 HydrophobicContact CG1-CE2 4.29Å; I305-L329 HydrophobicContact CD1-CD1 4.4Å; I305-L329 HydrophobicContact CD1-CD2 4.41Å
306	L	90.5	Very high	83.3	Confident	43 Å²	43	71.4 Å²	71.4	23%	0.225	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	123	174.2	179.8	67.5	0	0	0	109.1	V288 A289 R313	V288-L306 HydrophobicContact CB-CB 4.43Å; V288-L306 HydrophobicContact CB-CD2 3.99Å; V288-L306 HydrophobicContact CB-CG 4.07Å; V288-L306 HydrophobicContact CG1-CD2 3.92Å; V288-L306 PolarHBondContact N-O 3.03Å; A289-L306 HydrophobicContact CB-CB 4.21Å; A289-L306 HydrophobicContact CB-CD2 4.42Å; A289-L306 PolarHBondContact O-N 2.87Å; L306-R313 HydrophobicContact CD1-CG 3.79Å
307	Y	90.6	Very high	84.3	Confident	20 Å²	20	67.2 Å²	67.2	8%	0.078	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	134.6	-174.6	-157.5	-110.6	0	0	0	111.4	L282 A283 E286 I287 K309 H311 E312 F314	L282-Y307 HydrophobicContact CB-CD2 4.01Å; L282-Y307 HydrophobicContact CB-CE2 3.62Å; L282-Y307 HydrophobicContact CD2-CD2 3.79Å; L282-Y307 HydrophobicContact CD2-CE2 3.84Å; L282-Y307 HydrophobicContact CD2-CG 4.16Å; L282-Y307 HydrophobicContact CG-CD2 4.33Å; L282-Y307 HydrophobicContact CG-CE2 4.29Å; A283-Y307 PolarHBondContact N-OH 2.96Å; A283-Y307 VanDerWaalsContact N-OH 3.14Å; E286-Y307 HydrophobicContact CB-CD2 4.27Å; E286-Y307 HydrophobicContact CB-CE1 4.1Å; E286-Y307 HydrophobicContact CB-CE2 3.55Å; E286-Y307 VanDerWaalsContact CB-CZ 3.46Å; E286-Y307 WeakPolarHBondContact CB-OH 3.45Å; E286-Y307 WeakPolarHBondContact OE2-CE1 3.38Å; E286-Y307 PolarHBondContact OE2-OH 2.88Å; I287-Y307 HydrophobicContact CG1-CD2 4.39Å; Y307-K309 HydrophobicContact CD1-CB 3.98Å; Y307-K309 HydrophobicContact CE1-CB 3.82Å; Y307-H311 CarbonylContact O-C 3.48Å; Y307-H311 VanDerWaalsContact O-CA 3.23Å; Y307-H311 WeakPolarHBondContact O-CA 3.31Å; Y307-H311 PolarHBondContact O-N 2.83Å; Y307-E312 PolarHBondContact N-O 3.18Å; Y307-F314 HydrophobicContact CG-CE2 4.28Å
308	S	83.8	Confident	85.1	Confident	48 Å²	48	58.6 Å²	58.6	34%	0.336	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-50.4	-170.1	62.7	0	0	0	0	112.4	E286 N310 H311	E286-S308 WeakPolarHBondContact CB-OG 3.38Å; E286-S308 WeakPolarHBondContact O-CB 3.36Å; E286-S308 PolarHBondContact O-N 2.91Å; E286-S308 PolarHBondContact O-OG 2.82Å; E286-S308 VanDerWaalsContact O-OG 3.1Å; S308-N310 VanDerWaalsContact C-N 3.26Å; S308-N310 PolarHBondContact O-N 2.74Å; S308-N310 VanDerWaalsContact O-N 3.09Å; S308-H311 PolarHBondContact O-N 2.82Å
309	K	73.9	Confident	85.8	Confident	140 Å²	140	53 Å²	53	61%	0.609	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-37.1	-165.7	-159	-178.5	-147.4	118.9	0	115	E286 Y307	E286-K309 IonicContact OE1-NZ 3.49Å; E286-K309 PolarHBondContact OE1-NZ 2.85Å; E286-K309 IonicContact OE2-NZ 2.68Å; E286-K309 PolarHBondContact OE2-NZ 2.91Å; Y307-K309 HydrophobicContact CD1-CB 3.98Å; Y307-K309 HydrophobicContact CE1-CB 3.82Å
310	N	73.9	Confident	85.8	Confident	95 Å²	95	53.5 Å²	53.5	51%	0.508	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.7	3.9	-175.2	-61.8	12.3	0	0	0	112.5	S308 E312	S308-N310 VanDerWaalsContact C-N 3.26Å; S308-N310 PolarHBondContact O-N 2.74Å; S308-N310 VanDerWaalsContact O-N 3.09Å; N310-E312 HydrophobicContact CB-CB 4.24Å; N310-E312 HydrophobicContact CB-CG 3.81Å; N310-E312 WeakPolarHBondContact CB-OE1 3.42Å; N310-E312 PolarHBondContact ND2-OE1 3.43Å; N310-E312 PolarHBondContact O-N 3.4Å
311	H	79.2	Confident	85.6	Confident	149 Å²	149	52.5 Å²	52.5	69%	0.69	27%	0.273	S	S	*	.			trans	51.4	18	-162.6	-68.1	-80.3	0	0	0	115.2	Y307 S308	Y307-H311 CarbonylContact O-C 3.48Å; Y307-H311 VanDerWaalsContact O-CA 3.23Å; Y307-H311 WeakPolarHBondContact O-CA 3.31Å; Y307-H311 PolarHBondContact O-N 2.83Å; S308-H311 PolarHBondContact O-N 2.82Å
312	E	83.8	Confident	85.7	Confident	73 Å²	73	52.1 Å²	52.1	34%	0.341	27%	0.269	S	S	.	.			trans	-65.3	142.5	-177.8	-86.1	-178.9	-121.1	0	0	112.5	Y307 N310 F314	Y307-E312 PolarHBondContact N-O 3.18Å; N310-E312 HydrophobicContact CB-CB 4.24Å; N310-E312 HydrophobicContact CB-CG 3.81Å; N310-E312 WeakPolarHBondContact CB-OE1 3.42Å; N310-E312 PolarHBondContact ND2-OE1 3.43Å; N310-E312 PolarHBondContact O-N 3.4Å; E312-F314 HydrophobicContact CB-CD2 4.46Å; E312-F314 HydrophobicContact CB-CE2 3.72Å; E312-F314 HydrophobicContact CB-CZ 4.05Å; E312-F314 WeakPolarHBondContact OE2-CZ 3.46Å
313	R	85.9	Confident	85.4	Confident	180 Å²	180	55.6 Å²	55.6	68%	0.679	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111	105.8	179.6	-63.4	-179.7	-172.5	-175	2	109.8	Q304 L306 F315	Q304-R313 HydrophobicContact CG-CB 4.4Å; L306-R313 HydrophobicContact CD1-CG 3.79Å; R313-F315 PolarHBondContact O-N 3.37Å
314	F	88.8	Confident	84.7	Confident	17 Å²	17	56.4 Å²	56.4	8%	0.075	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	101.8	177.3	-64.2	-86.2	0	0	0	109.7	L248 I280 L282 Q304 I305 Y307 E312 F316	L248-F314 HydrophobicContact CD1-CB 4.06Å; L248-F314 HydrophobicContact CD1-CD1 4.06Å; L248-F314 HydrophobicContact CD2-CD1 4.4Å; I280-F314 HydrophobicContact CD1-CD1 4.28Å; I280-F314 HydrophobicContact CD1-CE1 4.13Å; I280-F314 HydrophobicContact CG2-CE1 4.2Å; L282-F314 HydrophobicContact CD1-CB 4.48Å; L282-F314 HydrophobicContact CD1-CD2 3.98Å; L282-F314 HydrophobicContact CD1-CE2 4.5Å; L282-F314 HydrophobicContact CD1-CG 4.18Å; L282-F314 HydrophobicContact CD2-CD2 3.94Å; L282-F314 HydrophobicContact CD2-CE1 4.46Å; L282-F314 HydrophobicContact CD2-CE2 3.61Å; L282-F314 HydrophobicContact CD2-CZ 3.91Å; Q304-F314 WeakPolarHBondContact CA-O 3.3Å; I305-F314 HydrophobicContact CB-CB 4.49Å; I305-F314 PolarHBondContact N-O 3.33Å; I305-F314 PolarHBondContact O-N 3.23Å; Y307-F314 HydrophobicContact CG-CE2 4.28Å; E312-F314 HydrophobicContact CB-CD2 4.46Å; E312-F314 HydrophobicContact CB-CE2 3.72Å; E312-F314 HydrophobicContact CB-CZ 4.05Å; E312-F314 WeakPolarHBondContact OE2-CZ 3.46Å; F314-F316 HydrophobicContact CB-CD2 4.26Å; F314-F316 HydrophobicContact CB-CE2 3.55Å; F314-F316 HydrophobicContact CB-CZ 4.04Å; F314-F316 PolarHBondContact O-N 2.81Å
315	F	89.4	Confident	84.4	Confident	45 Å²	45	54.3 Å²	54.3	20%	0.197	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	100.6	178.5	-172.1	-85.4	0	0	0	110.4	S249 E293 A302 Q304 R313	S249-F315 PolarHBondContact N-O 3.48Å; E293-F315 HydrophobicContact CB-CD2 4.4Å; E293-F315 HydrophobicContact CB-CE2 3.62Å; E293-F315 HydrophobicContact CB-CZ 4.19Å; E293-F315 HydrophobicContact CG-CD2 4.27Å; E293-F315 HydrophobicContact CG-CE2 3.89Å; A302-F315 HydrophobicContact CB-CE1 3.71Å; A302-F315 HydrophobicContact CB-CE2 4.04Å; A302-F315 HydrophobicContact CB-CZ 3.42Å; A302-F315 VanDerWaalsContact CB-CZ 3.42Å; Q304-F315 HydrophobicContact CB-CD2 4.31Å; R313-F315 PolarHBondContact O-N 3.37Å
316	F	90.2	Very high	84.2	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.009	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	133.6	174.2	-60.8	-85.2	0	0	0	110	A247 L248 F270 A302 I303 I305 F314 F319	A247-F316 CarbonylContact O-C 3.59Å; A247-F316 WeakPolarHBondContact O-CA 3.19Å; L248-F316 HydrophobicContact CB-CD1 4.33Å; L248-F316 HydrophobicContact CB-CE1 4.31Å; L248-F316 HydrophobicContact CD1-CD1 4.16Å; L248-F316 HydrophobicContact CD1-CE1 3.97Å; L248-F316 HydrophobicContact CD1-CZ 4.17Å; F270-F316 HydrophobicContact CB-CE1 4.07Å; F270-F316 HydrophobicContact CD1-CE1 4.48Å; F270-F316 HydrophobicContact CD2-CD1 4.25Å; F270-F316 AromaticContact CD2-CE1 3.81Å; F270-F316 HydrophobicContact CD2-CE1 3.81Å; F270-F316 HydrophobicContact CE2-CE1 4.41Å; F270-F316 AromaticContact CG-CE1 3.85Å; F270-F316 HydrophobicContact CG-CE1 3.85Å; A302-F316 CarbonylContact C-O 3.58Å; A302-F316 WeakPolarHBondContact CA-O 3.47Å; A302-F316 VanDerWaalsContact CB-O 3.26Å; A302-F316 WeakPolarHBondContact CB-O 3.45Å; I303-F316 PolarHBondContact N-O 2.84Å; I303-F316 PolarHBondContact O-N 2.84Å; I305-F316 HydrophobicContact CD1-CD2 4.3Å; I305-F316 HydrophobicContact CD1-CE2 3.94Å; I305-F316 HydrophobicContact CG1-CD2 4.4Å; I305-F316 HydrophobicContact CG1-CE2 4.29Å; F314-F316 HydrophobicContact CB-CD2 4.26Å; F314-F316 HydrophobicContact CB-CE2 3.55Å; F314-F316 HydrophobicContact CB-CZ 4.04Å; F314-F316 PolarHBondContact O-N 2.81Å; F316-F319 HydrophobicContact CB-CE2 3.65Å; F316-F319 HydrophobicContact CB-CZ 3.56Å; F316-F319 HydrophobicContact CG-CZ 4.43Å
317	T	88.5	Confident	84	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	171.7	179.3	175.9	0	0	0	0	110.9	C246 A247 L256 T295 N301 F319	C246-T317 CarbonylContact C-O 3.52Å; C246-T317 WeakPolarHBondContact CA-O 3.43Å; C246-T317 WeakPolarHBondContact CB-O 3.43Å; A247-T317 HydrophobicContact CB-CG2 4.06Å; A247-T317 PolarHBondContact N-O 2.73Å; A247-T317 WeakPolarHBondContact O-CG2 3.37Å; A247-T317 PolarHBondContact O-N 3.35Å; L256-T317 HydrophobicContact CD1-CG2 4.02Å; L256-T317 HydrophobicContact CD2-CG2 3.67Å; L256-T317 HydrophobicContact CG-CG2 4.44Å; T295-T317 VanDerWaalsContact CG2-OG1 3.25Å; T295-T317 WeakPolarHBondContact CG2-OG1 3.41Å; T295-T317 PolarHBondContact OG1-OG1 3.23Å; N301-T317 CarbonylContact O-C 3.42Å; N301-T317 WeakPolarHBondContact O-CA 3.45Å; T317-F319 PolarHBondContact O-N 2.95Å
318	S	85.4	Confident	83.6	Confident	47 Å²	47	53.6 Å²	53.6	33%	0.329	28%	0.276	S	S	.	.			trans	71	29.9	167.8	-46.2	0	0	0	0	114.8	S245 N301	S245-S318 VanDerWaalsContact O-O 3.1Å; N301-S318 PolarHBondContact O-N 3.11Å
319	F	85.6	Confident	83.8	Confident	5 Å²	5	51.5 Å²	51.5	2%	0.022	26%	0.261	C	S	.	.			trans	-64.5	154	171.5	-64.2	-89.7	0	0	0	111.6	Y244 C246 M261 N301 I303 F316 T317 S325	Y244-F319 HydrophobicContact CD1-CD1 4.33Å; C246-F319 HydrophobicContact CB-CD1 3.98Å; C246-F319 HydrophobicContact CB-CD2 4.42Å; C246-F319 HydrophobicContact CB-CE1 3.84Å; C246-F319 HydrophobicContact CB-CE2 4.3Å; C246-F319 HydrophobicContact CB-CG 4.27Å; C246-F319 HydrophobicContact CB-CZ 4.01Å; M261-F319 HydrophobicContact CE-CE1 3.91Å; M261-F319 HydrophobicContact SD-CE1 4.39Å; N301-F319 VanDerWaalsContact CG-O 3.26Å; N301-F319 PolarHBondContact ND2-O 3.14Å; N301-F319 WeakPolarHBondContact OD1-CA 3.49Å; N301-F319 WeakPolarHBondContact OD1-CB 3.39Å; N301-F319 PolarHBondContact OD1-N 3.17Å; N301-F319 PolarHBondContact OD1-O 2.77Å; I303-F319 HydrophobicContact CB-CE2 3.86Å; I303-F319 HydrophobicContact CB-CZ 4.17Å; I303-F319 HydrophobicContact CD1-CD2 4.31Å; I303-F319 HydrophobicContact CD1-CE1 4.35Å; I303-F319 HydrophobicContact CD1-CE2 3.88Å; I303-F319 HydrophobicContact CD1-CZ 3.9Å; I303-F319 HydrophobicContact CG1-CD2 4.24Å; I303-F319 HydrophobicContact CG1-CE2 3.74Å; I303-F319 HydrophobicContact CG1-CZ 4.18Å; F316-F319 HydrophobicContact CB-CE2 3.65Å; F316-F319 HydrophobicContact CB-CZ 3.56Å; F316-F319 HydrophobicContact CG-CZ 4.43Å; T317-F319 PolarHBondContact O-N 2.95Å; F319-S325 WeakPolarHBondContact CD1-OG 3.39Å
320	A	78.4	Confident	84.5	Confident	106 Å²	106	49.9 Å²	49.9	88%	0.876	25%	0.251	S	S	*	.	S	Bend	trans	-78.8	-29.4	170.9	0	0	0	0	0	112.7
321	S	79.7	Confident	84.9	Confident	49 Å²	49	47.5 Å²	47.5	34%	0.343	24%	0.236	S	C	.	.			trans	-147.1	89.6	175.8	-177.6	0	0	0	0	109.1	E323 R324 S325	S321-E323 VanDerWaalsContact C-N 3.28Å; S321-E323 PolarHBondContact O-N 3.29Å; S321-R324 PolarHBondContact O-N 3.3Å; S321-R324 WeakPolarHBondContact OG-CB 3.37Å; S321-S325 WeakPolarHBondContact O-CB 3.43Å; S321-S325 PolarHBondContact O-N 2.99Å; S321-S325 PolarHBondContact O-OG 2.99Å
322	R	87.4	Confident	85.2	Confident	32 Å²	32	40.7 Å²	40.7	12%	0.121	21%	0.205	C	C	.	.	H	α-helix	trans	-57.1	-43.8	-177.9	-175	-167	63	164.7	0.2	111.2	E293 P300 A302 I303 R324 S325 Y326	E293-R322 PolarHBondContact O-NH1 2.73Å; P300-R322 VanDerWaalsContact O-CD 3.24Å; P300-R322 WeakPolarHBondContact O-CD 3.45Å; P300-R322 VanDerWaalsContact O-CZ 3.28Å; P300-R322 PolarHBondContact O-NE 3.24Å; A302-R322 WeakPolarHBondContact O-CD 3.36Å; I303-R322 HydrophobicContact CD1-CG 4.12Å; I303-R322 HydrophobicContact CG1-CG 3.75Å; R322-R324 PolarHBondContact O-N 2.91Å; R322-S325 PolarHBondContact O-N 2.89Å; R322-Y326 VanDerWaalsContact O-CB 3.27Å; R322-Y326 WeakPolarHBondContact O-CB 3.28Å; R322-Y326 PolarHBondContact O-N 3.33Å
323	E	84.3	Confident	85.4	Confident	72 Å²	72	38.9 Å²	38.9	34%	0.336	20%	0.195	S	C	.	.	H	α-helix	trans	-61.1	-45.9	-176.1	-76.3	54.3	-128.6	0	0	112	S321 A327 Y362	S321-E323 VanDerWaalsContact C-N 3.28Å; S321-E323 PolarHBondContact O-N 3.29Å; E323-A327 WeakPolarHBondContact O-CB 3.17Å; E323-A327 PolarHBondContact O-N 3.02Å; E323-Y362 HydrophobicContact CB-CE1 4.38Å
324	R	76.5	Confident	85.4	Confident	17 Å²	17	33.2 Å²	33.2	6%	0.064	18%	0.176	C	C	.	.	H	α-helix	trans	-69.8	-41.3	177.7	-162.6	172.8	-169.5	129.4	1.2	111.6	S321 R322 Y326 A327 I328 I358 G363	S321-R324 PolarHBondContact O-N 3.3Å; S321-R324 WeakPolarHBondContact OG-CB 3.37Å; R322-R324 PolarHBondContact O-N 2.91Å; R324-Y326 VanDerWaalsContact C-N 3.34Å; R324-Y326 PolarHBondContact O-N 3.24Å; R324-A327 PolarHBondContact O-N 2.82Å; R324-I328 HydrophobicContact CG-CD1 4.23Å; R324-I328 PolarHBondContact O-N 2.79Å; R324-I328 VanDerWaalsContact O-N 3.1Å; R324-I358 HydrophobicContact CG-CG2 4.35Å; R324-G363 PolarHBondContact NH1-O 3.33Å
325	S	84.3	Confident	84.9	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58.5	-46.3	175	-48.3	0	0	0	0	111.3	Y244 F319 S321 R322 L329	Y244-S325 WeakPolarHBondContact CD1-OG 3.28Å; Y244-S325 WeakPolarHBondContact CE1-OG 3.28Å; F319-S325 WeakPolarHBondContact CD1-OG 3.39Å; S321-S325 WeakPolarHBondContact O-CB 3.43Å; S321-S325 PolarHBondContact O-N 2.99Å; S321-S325 PolarHBondContact O-OG 2.99Å; R322-S325 PolarHBondContact O-N 2.89Å; S325-L329 WeakPolarHBondContact O-CB 3.32Å; S325-L329 WeakPolarHBondContact O-CG 3.47Å; S325-L329 PolarHBondContact O-N 2.81Å
326	Y	89	Confident	84.5	Confident	29 Å²	29	33 Å²	33	11%	0.114	18%	0.18	C	C	.	.	H	α-helix	trans	-65.3	-43.2	177.3	179.8	-86.7	0	0	0	112.2	I290 K292 I303 R322 R324 I328 R330	I290-Y326 HydrophobicContact CB-CE2 4.46Å; I290-Y326 HydrophobicContact CG2-CD2 4.06Å; I290-Y326 HydrophobicContact CG2-CE2 3.89Å; I290-Y326 VanDerWaalsContact O-CE2 3.31Å; I290-Y326 WeakPolarHBondContact O-CE2 3.44Å; I290-Y326 PolarHBondContact O-OH 2.6Å; K292-Y326 HydrophobicContact CD-CD1 4.29Å; K292-Y326 HydrophobicContact CD-CD2 4.37Å; K292-Y326 HydrophobicContact CD-CE1 4.41Å; K292-Y326 HydrophobicContact CD-CE2 4.49Å; K292-Y326 HydrophobicContact CD-CG 4.27Å; K292-Y326 VanDerWaalsContact CE-CG 3.44Å; K292-Y326 HydrophobicContact CG-CD1 4.22Å; K292-Y326 HydrophobicContact CG-CD2 3.45Å; K292-Y326 VanDerWaalsContact CG-CD2 3.45Å; K292-Y326 HydrophobicContact CG-CE1 4.28Å; K292-Y326 HydrophobicContact CG-CE2 3.54Å; K292-Y326 HydrophobicContact CG-CG 3.82Å; I303-Y326 HydrophobicContact CG2-CD2 4.36Å; R322-Y326 VanDerWaalsContact O-CB 3.27Å; R322-Y326 WeakPolarHBondContact O-CB 3.28Å; R322-Y326 PolarHBondContact O-N 3.33Å; R324-Y326 VanDerWaalsContact C-N 3.34Å; R324-Y326 PolarHBondContact O-N 3.24Å; Y326-I328 VanDerWaalsContact C-N 3.33Å; Y326-I328 PolarHBondContact O-N 3.05Å; Y326-R330 HydrophobicContact CD1-CB 4.43Å; Y326-R330 HydrophobicContact CE1-CB 4.16Å; Y326-R330 HydrophobicContact CE1-CG 4.46Å; Y326-R330 WeakPolarHBondContact O-CB 3.32Å; Y326-R330 PolarHBondContact O-N 3.44Å; Y326-R330 PolarHBondContact OH-NH1 3.44Å
327	A	85.2	Confident	83.7	Confident	15 Å²	15	39.6 Å²	39.6	12%	0.124	21%	0.205	C	C	.	.	H	α-helix	trans	-60.3	-43.3	179.5	0	0	0	0	0	111.7	E323 R324 K331 I358 Y362	E323-A327 WeakPolarHBondContact O-CB 3.17Å; E323-A327 PolarHBondContact O-N 3.02Å; R324-A327 PolarHBondContact O-N 2.82Å; A327-K331 VanDerWaalsContact O-CB 3.26Å; A327-K331 WeakPolarHBondContact O-CB 3.32Å; A327-K331 PolarHBondContact O-N 3.44Å; A327-I358 HydrophobicContact CB-CD1 4.4Å; A327-Y362 HydrophobicContact CB-CE2 3.84Å
328	I	82.9	Confident	82.7	Confident	4 Å²	4	43.7 Å²	43.7	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-69.5	-51	178.3	-68.4	163.7	0	0	0	110.9	Y244 I263 R324 Y326 R330 K331 V332 L355 I358	Y244-I328 WeakPolarHBondContact OH-CD1 3.24Å; I263-I328 HydrophobicContact CD1-CG2 3.81Å; R324-I328 HydrophobicContact CG-CD1 4.23Å; R324-I328 PolarHBondContact O-N 2.79Å; R324-I328 VanDerWaalsContact O-N 3.1Å; Y326-I328 VanDerWaalsContact C-N 3.33Å; Y326-I328 PolarHBondContact O-N 3.05Å; I328-R330 VanDerWaalsContact C-N 3.29Å; I328-R330 PolarHBondContact O-N 3Å; I328-K331 PolarHBondContact O-N 3.12Å; I328-V332 HydrophobicContact CG2-CG2 4.43Å; I328-V332 WeakPolarHBondContact O-CB 3.48Å; I328-V332 WeakPolarHBondContact O-CG2 3.49Å; I328-V332 PolarHBondContact O-N 3.3Å; I328-L355 HydrophobicContact CD1-CD2 4.26Å; I328-I358 HydrophobicContact CB-CD1 4.41Å; I328-I358 HydrophobicContact CD1-CG2 4.3Å; I328-I358 HydrophobicContact CG1-CD1 3.58Å; I328-I358 HydrophobicContact CG1-CG2 4.08Å
329	L	88.3	Confident	81.5	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-53.4	-46.4	176.1	-80.2	171.6	0	0	0	112.1	M261 I263 V268 I290 I303 I305 S325 W333	M261-L329 HydrophobicContact CE-CD1 3.97Å; M261-L329 HydrophobicContact CE-CD2 4.15Å; M261-L329 HydrophobicContact CE-CG 4.17Å; M261-L329 HydrophobicContact SD-CD1 4.21Å; M261-L329 HydrophobicContact SD-CD2 4.22Å; I263-L329 HydrophobicContact CD1-CD2 3.65Å; I263-L329 HydrophobicContact CD1-CG 3.81Å; I263-L329 HydrophobicContact CG1-CD2 3.96Å; V268-L329 HydrophobicContact CG1-CD2 4.02Å; V268-L329 HydrophobicContact CG2-CD2 3.74Å; I290-L329 HydrophobicContact CD1-CB 4.21Å; I303-L329 HydrophobicContact CD1-CD1 4.08Å; I303-L329 HydrophobicContact CG2-CD1 4.15Å; I305-L329 HydrophobicContact CD1-CD1 4.4Å; I305-L329 HydrophobicContact CD1-CD2 4.41Å; S325-L329 WeakPolarHBondContact O-CB 3.32Å; S325-L329 WeakPolarHBondContact O-CG 3.47Å; S325-L329 PolarHBondContact O-N 2.81Å; L329-W333 VanDerWaalsContact O-CB 3.31Å; L329-W333 WeakPolarHBondContact O-CB 3.32Å; L329-W333 PolarHBondContact O-N 3.42Å
330	R	87.8	Confident	80.1	Confident	105 Å²	105	53.5 Å²	53.5	40%	0.396	27%	0.267	S	S	.	.	H	α-helix	trans	-66.8	-44.6	-179.8	178.2	172	170.8	147.4	5.6	112.1	Y326 I328 W333 E334	Y326-R330 HydrophobicContact CD1-CB 4.43Å; Y326-R330 HydrophobicContact CE1-CB 4.16Å; Y326-R330 HydrophobicContact CE1-CG 4.46Å; Y326-R330 WeakPolarHBondContact O-CB 3.32Å; Y326-R330 PolarHBondContact O-N 3.44Å; Y326-R330 PolarHBondContact OH-NH1 3.44Å; I328-R330 VanDerWaalsContact C-N 3.29Å; I328-R330 PolarHBondContact O-N 3Å; R330-W333 PolarHBondContact O-N 2.91Å; R330-E334 HydrophobicContact CG-CG 4.25Å; R330-E334 IonicContact CZ-OE1 2.78Å; R330-E334 VanDerWaalsContact CZ-OE1 3.22Å; R330-E334 IonicContact NE-OE1 3.8Å; R330-E334 PolarHBondContact NE-OE1 3.11Å; R330-E334 IonicContact NE-OE2 2.9Å; R330-E334 IonicContact NH2-OE1 3.15Å; R330-E334 PolarHBondContact NH2-OE1 3.44Å; R330-E334 WeakPolarHBondContact O-CB 3.42Å; R330-E334 VanDerWaalsContact O-CG 3.31Å; R330-E334 WeakPolarHBondContact O-CG 3.48Å; R330-E334 PolarHBondContact O-N 2.82Å
331	K	83.5	Confident	78.7	Confident	45 Å²	45	53.2 Å²	53.2	20%	0.196	26%	0.255	C	S	.	.	H	α-helix	trans	-68.3	-38	-178.9	-174.1	72.1	-172.1	-146.6	0	112	A327 I328 N335 M349 I354 I358	A327-K331 VanDerWaalsContact O-CB 3.26Å; A327-K331 WeakPolarHBondContact O-CB 3.32Å; A327-K331 PolarHBondContact O-N 3.44Å; I328-K331 PolarHBondContact O-N 3.12Å; K331-N335 WeakPolarHBondContact CE-OD1 3.32Å; K331-N335 WeakPolarHBondContact O-CB 3.15Å; K331-N335 PolarHBondContact O-N 2.93Å; K331-N335 PolarHBondContact O-OD1 3.13Å; K331-M349 WeakPolarHBondContact CE-SD 3.3Å; K331-M349 PolarHBondContact NZ-SD 3Å; K331-I354 HydrophobicContact CB-CG2 4.08Å; K331-I354 HydrophobicContact CG-CB 4.2Å; K331-I354 HydrophobicContact CG-CD1 4.28Å; K331-I354 HydrophobicContact CG-CG1 3.84Å; K331-I354 HydrophobicContact CG-CG2 3.63Å; K331-I358 HydrophobicContact CB-CD1 4.35Å
332	V	84.5	Confident	77	Confident	6 Å²	6	55.3 Å²	55.3	4%	0.036	26%	0.262	C	S	.	.	H	α-helix	trans	-62.9	-43.9	172.3	169.9	0	0	0	0	110.9	I263 T264 V284 I328 N335 C336 I354	I263-V332 HydrophobicContact CG2-CB 4.48Å; I263-V332 HydrophobicContact CG2-CG1 4.25Å; I263-V332 HydrophobicContact CG2-CG2 4.17Å; T264-V332 WeakPolarHBondContact O-CG1 3.44Å; V284-V332 HydrophobicContact CG1-CG1 4.29Å; V284-V332 HydrophobicContact CG2-CG1 4.25Å; I328-V332 HydrophobicContact CG2-CG2 4.43Å; I328-V332 WeakPolarHBondContact O-CB 3.48Å; I328-V332 WeakPolarHBondContact O-CG2 3.49Å; I328-V332 PolarHBondContact O-N 3.3Å; V332-N335 PolarHBondContact O-N 3.39Å; V332-C336 WeakPolarHBondContact O-CB 3.21Å; V332-C336 PolarHBondContact O-N 2.97Å; V332-I354 HydrophobicContact CG2-CD1 4.18Å
333	W	87.8	Confident	75.3	Confident	35 Å²	35	60 Å²	60	13%	0.133	29%	0.294	C	S	.	.	H	α-helix	trans	-64.2	-45.6	176	177.5	58.9	0	0	0	113.4	V284 I287 V288 I290 L329 R330 N335 C336 R337	V284-W333 HydrophobicContact CG1-CB 4.25Å; I287-W333 HydrophobicContact CG2-CD2 4.47Å; I287-W333 HydrophobicContact CG2-CG 4.36Å; I287-W333 PolarHBondContact O-NE1 3.07Å; V288-W333 WeakPolarHBondContact O-CZ2 3.21Å; I290-W333 HydrophobicContact CD1-CB 3.82Å; I290-W333 HydrophobicContact CD1-CD2 4.18Å; I290-W333 HydrophobicContact CD1-CE3 4.28Å; I290-W333 HydrophobicContact CD1-CG 4.01Å; I290-W333 HydrophobicContact CG1-CD2 4.37Å; I290-W333 HydrophobicContact CG1-CE3 4.34Å; L329-W333 VanDerWaalsContact O-CB 3.31Å; L329-W333 WeakPolarHBondContact O-CB 3.32Å; L329-W333 PolarHBondContact O-N 3.42Å; R330-W333 PolarHBondContact O-N 2.91Å; W333-N335 VanDerWaalsContact C-N 3.34Å; W333-N335 PolarHBondContact O-N 3.35Å; W333-C336 PolarHBondContact O-N 2.86Å; W333-R337 VanDerWaalsContact O-CB 3.3Å; W333-R337 WeakPolarHBondContact O-CB 3.43Å; W333-R337 PolarHBondContact O-N 3.32Å
334	E	85.8	Confident	73.5	Confident	61 Å²	61	65.5 Å²	65.5	29%	0.285	32%	0.319	S	S	.	.	H	α-helix	trans	-59.7	-43.4	174.3	-74.8	170	163.3	0	0	111	R330 R337 N338	R330-E334 HydrophobicContact CG-CG 4.25Å; R330-E334 IonicContact CZ-OE1 2.78Å; R330-E334 VanDerWaalsContact CZ-OE1 3.22Å; R330-E334 IonicContact NE-OE1 3.8Å; R330-E334 PolarHBondContact NE-OE1 3.11Å; R330-E334 IonicContact NE-OE2 2.9Å; R330-E334 IonicContact NH2-OE1 3.15Å; R330-E334 PolarHBondContact NH2-OE1 3.44Å; R330-E334 WeakPolarHBondContact O-CB 3.42Å; R330-E334 VanDerWaalsContact O-CG 3.31Å; R330-E334 WeakPolarHBondContact O-CG 3.48Å; R330-E334 PolarHBondContact O-N 2.82Å; E334-R337 PolarHBondContact O-N 3.02Å; E334-N338 WeakPolarHBondContact O-CB 3.2Å; E334-N338 PolarHBondContact O-N 3.24Å; E334-N338 PolarHBondContact O-ND2 3.31Å; E334-N338 PolarHBondContact O-OD1 3.26Å
335	N	78.6	Confident	71.8	Confident	30 Å²	30	70 Å²	70	16%	0.16	34%	0.344	C	S	.	.	H	α-helix	trans	-64.8	-45.5	177.4	-80.4	28.4	0	0	0	113	K331 V332 W333 R337 N338 H339 M349 I354	K331-N335 WeakPolarHBondContact CE-OD1 3.32Å; K331-N335 WeakPolarHBondContact O-CB 3.15Å; K331-N335 PolarHBondContact O-N 2.93Å; K331-N335 PolarHBondContact O-OD1 3.13Å; V332-N335 PolarHBondContact O-N 3.39Å; W333-N335 VanDerWaalsContact C-N 3.34Å; W333-N335 PolarHBondContact O-N 3.35Å; N335-R337 VanDerWaalsContact C-N 3.34Å; N335-R337 PolarHBondContact O-N 3.37Å; N335-N338 PolarHBondContact O-N 3.36Å; N335-H339 PolarHBondContact O-N 3.33Å; N335-M349 WeakPolarHBondContact ND2-CG 3.29Å; N335-M349 PolarHBondContact ND2-O 2.87Å; N335-I354 HydrophobicContact CB-CD1 4.42Å; N335-I354 VanDerWaalsContact ND2-CD1 3.34Å; N335-I354 WeakPolarHBondContact ND2-CD1 3.43Å; N335-I354 WeakPolarHBondContact ND2-CG1 3.45Å
336	C	80.1	Confident	69.7	Low	27 Å²	27	78.4 Å²	78.4	18%	0.182	39%	0.388	C	S	.	.	H	α-helix	trans	-60.8	-43.2	176.7	-177.7	0	0	0	0	111.6	V284 V332 W333 H339 Q340	V284-C336 HydrophobicContact CB-CB 4.29Å; V284-C336 HydrophobicContact CG1-CB 3.5Å; V332-C336 WeakPolarHBondContact O-CB 3.21Å; V332-C336 PolarHBondContact O-N 2.97Å; W333-C336 PolarHBondContact O-N 2.86Å; C336-H339 WeakPolarHBondContact O-CB 3.25Å; C336-H339 PolarHBondContact O-N 3.34Å; C336-Q340 PolarHBondContact O-N 2.93Å; C336-Q340 VanDerWaalsContact O-N 3.11Å
337	R	74.2	Confident	67.6	Low	141 Å²	141	85.5 Å²	85.5	53%	0.532	42%	0.423	S	S	.	.	H	α-helix	trans	-67.7	-36.2	177.5	-173	171.9	176.1	161.7	0.1	112.8	W333 E334 N335 Q340 T341	W333-R337 VanDerWaalsContact O-CB 3.3Å; W333-R337 WeakPolarHBondContact O-CB 3.43Å; W333-R337 PolarHBondContact O-N 3.32Å; E334-R337 PolarHBondContact O-N 3.02Å; N335-R337 VanDerWaalsContact C-N 3.34Å; N335-R337 PolarHBondContact O-N 3.37Å; R337-Q340 PolarHBondContact O-N 3.09Å; R337-T341 PolarHBondContact O-N 2.88Å; R337-T341 PolarHBondContact O-OG1 2.85Å
338	N	66.8	Low	65.8	Low	87 Å²	87	89.5 Å²	89.5	47%	0.465	45%	0.445	S	S	.	.	H	α-helix	trans	-66.3	-41.1	172.6	-70.6	-19.7	0	0	0	111.4	E334 N335 Q340 T341 L342	E334-N338 WeakPolarHBondContact O-CB 3.2Å; E334-N338 PolarHBondContact O-N 3.24Å; E334-N338 PolarHBondContact O-ND2 3.31Å; E334-N338 PolarHBondContact O-OD1 3.26Å; N335-N338 PolarHBondContact O-N 3.36Å; N338-Q340 VanDerWaalsContact C-N 3.28Å; N338-Q340 PolarHBondContact O-N 3.15Å; N338-T341 CarbonylContact O-C 3.28Å; N338-T341 PolarHBondContact O-N 2.82Å; N338-L342 PolarHBondContact O-N 2.82Å
339	H	60.9	Low	64.3	Low	123 Å²	123	91.6 Å²	91.6	57%	0.569	46%	0.456	S	S	*	.	H	α-helix	trans	-59.8	-39	175.6	-170.3	52.2	0	0	0	111.9	N335 C336 T341 T348	N335-H339 PolarHBondContact O-N 3.33Å; C336-H339 WeakPolarHBondContact O-CB 3.25Å; C336-H339 PolarHBondContact O-N 3.34Å; H339-T341 PolarHBondContact O-N 3.08Å; H339-T348 HydrophobicContact CB-CG2 4.4Å; H339-T348 WeakPolarHBondContact ND1-CG2 3.35Å
340	Q	55.6	Low	63.1	Low	135 Å²	135	93.7 Å²	93.7	63%	0.631	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-12.8	174.4	-160.5	169.1	16.3	0	0	114	C336 R337 N338	C336-Q340 PolarHBondContact O-N 2.93Å; C336-Q340 VanDerWaalsContact O-N 3.11Å; R337-Q340 PolarHBondContact O-N 3.09Å; N338-Q340 VanDerWaalsContact C-N 3.28Å; N338-Q340 PolarHBondContact O-N 3.15Å
341	T	48.8	Very low	61.8	Low	101 Å²	101	89.1 Å²	89.1	62%	0.62	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	-23.4	-179.6	-50.8	0	0	0	0	112.8	R337 N338 H339	R337-T341 PolarHBondContact O-N 2.88Å; R337-T341 PolarHBondContact O-OG1 2.85Å; N338-T341 CarbonylContact O-C 3.28Å; N338-T341 PolarHBondContact O-N 2.82Å; H339-T341 PolarHBondContact O-N 3.08Å
342	L	44.7	Very low	60.8	Low	93 Å²	93	91.6 Å²	91.6	49%	0.487	47%	0.469	S	S	.	.			trans	-124.2	54.7	-169.8	-66	176.9	0	0	0	113.7	N338 Q344	N338-L342 PolarHBondContact O-N 2.82Å; L342-Q344 PolarHBondContact O-N 2.83Å
343	V	51.9	Low	59.9	Low	131 Å²	131	96.1 Å²	96.1	79%	0.794	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	20.3	173.4	-167.9	0	0	0	0	112.6
344	Q	45.8	Very low	58.7	Low	186 Å²	186	94.9 Å²	94.9	87%	0.869	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.3	-2.2	-174.3	-69.6	-174.2	-20.4	0	0	114.7	L342	L342-Q344 PolarHBondContact O-N 2.83Å
345	I	41.4	Very low	57.6	Low	113 Å²	113	92.5 Å²	92.5	58%	0.579	48%	0.475	S	S	*	.	S	Bend	trans	-136.3	118.8	179.6	-50.8	179.6	0	0	0	109.8	Q347	I345-Q347 VanDerWaalsContact C-N 3.26Å; I345-Q347 PolarHBondContact O-N 2.94Å
346	N	41.3	Very low	56.9	Low	175 Å²	175	95 Å²	95	94%	0.936	49%	0.486	S	S	*	.			trans	-75.4	59.2	-170.8	-70.8	-19.5	0	0	0	114
347	Q	43.5	Very low	56	Low	179 Å²	179	98.1 Å²	98.1	84%	0.836	50%	0.498	S	S	*	.			trans	-149	71.5	-179.9	-132.9	167.1	9.5	0	0	114.1	I345	I345-Q347 VanDerWaalsContact C-N 3.26Å; I345-Q347 PolarHBondContact O-N 2.94Å
348	T	47.6	Very low	55.3	Low	98 Å²	98	91.7 Å²	91.7	60%	0.601	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-89.4	121.2	164.2	48.8	0	0	0	0	110.3	H339	H339-T348 HydrophobicContact CB-CG2 4.4Å; H339-T348 WeakPolarHBondContact ND1-CG2 3.35Å
349	M	50.6	Low	55	Low	48 Å²	48	91 Å²	91	24%	0.236	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-72.3	142	174.4	67.2	178.2	-66	0	0	111.7	K331 N335 E353 I354	K331-M349 WeakPolarHBondContact CE-SD 3.3Å; K331-M349 PolarHBondContact NZ-SD 3Å; N335-M349 WeakPolarHBondContact ND2-CG 3.29Å; N335-M349 PolarHBondContact ND2-O 2.87Å; M349-E353 WeakPolarHBondContact CA-OE2 3.4Å; M349-E353 HydrophobicContact CB-CB 4.27Å; M349-E353 VanDerWaalsContact CB-OE2 3.25Å; M349-E353 WeakPolarHBondContact CB-OE2 3.17Å; M349-E353 VanDerWaalsContact CE-C 3.47Å; M349-E353 HydrophobicContact CE-CB 3.82Å; M349-I354 HydrophobicContact CE-CB 4.41Å; M349-I354 HydrophobicContact CE-CG1 3.89Å; M349-I354 HydrophobicContact SD-CG1 4.5Å
350	S	63.9	Low	55	Low	48 Å²	48	90.5 Å²	90.5	34%	0.336	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-75.9	165.2	-174.9	77.8	0	0	0	0	113.4	D352 E353 I354	S350-D352 PolarHBondContact O-N 3.23Å; S350-D352 PolarHBondContact OG-N 2.84Å; S350-E353 PolarHBondContact N-OE2 2.93Å; S350-E353 PolarHBondContact O-N 2.87Å; S350-E353 PolarHBondContact OG-N 3.19Å; S350-I354 WeakPolarHBondContact O-CG1 3.17Å; S350-I354 PolarHBondContact O-N 3.29Å
351	I	61	Low	55	Low	10 Å²	10	89.6 Å²	89.6	5%	0.051	46%	0.463	C	S	.	.	H	α-helix	trans	-52.7	-38.2	168.1	-91.1	173.2	0	0	0	112.5	L239 E265 I354 L355	L239-I351 HydrophobicContact CD1-CD1 4Å; L239-I351 HydrophobicContact CD1-CG1 4.44Å; L239-I351 HydrophobicContact CD1-CG2 4.26Å; L239-I351 HydrophobicContact CG-CD1 4.49Å; L239-I351 HydrophobicContact CG-CG2 3.85Å; E265-I351 HydrophobicContact CB-CD1 3.65Å; E265-I351 HydrophobicContact CG-CD1 3.66Å; E265-I351 HydrophobicContact CG-CG1 4.06Å; E265-I351 WeakPolarHBondContact OE1-CD1 3.49Å; E265-I351 WeakPolarHBondContact OE1-CG1 3.46Å; I351-I354 HydrophobicContact CG1-CD1 4.48Å; I351-I354 WeakPolarHBondContact O-CB 3.47Å; I351-I354 PolarHBondContact O-N 3.08Å; I351-L355 HydrophobicContact CG2-CD1 3.92Å; I351-L355 WeakPolarHBondContact O-CB 3.37Å; I351-L355 VanDerWaalsContact O-CG 3.26Å; I351-L355 WeakPolarHBondContact O-CG 3.42Å; I351-L355 PolarHBondContact O-N 2.86Å
352	D	61.4	Low	55.2	Low	96 Å²	96	89.5 Å²	89.5	51%	0.513	45%	0.452	S	S	.	.	H	α-helix	trans	-73.1	-30.4	-179.2	-69.8	-54.4	0	0	0	112.9	S350 L355 Q356 R359	S350-D352 PolarHBondContact O-N 3.23Å; S350-D352 PolarHBondContact OG-N 2.84Å; D352-L355 PolarHBondContact O-N 3.04Å; D352-Q356 WeakPolarHBondContact O-CB 3.31Å; D352-Q356 PolarHBondContact O-N 2.88Å; D352-R359 PolarHBondContact O-NH2 2.85Å
353	E	67.2	Low	55.6	Low	102 Å²	102	86.8 Å²	86.8	48%	0.477	45%	0.447	S	S	.	.	H	α-helix	trans	-73.2	-36	171.2	-66.3	174.7	141.3	0	0	111.8	M349 S350 L355 Q356 Q357	M349-E353 WeakPolarHBondContact CA-OE2 3.4Å; M349-E353 HydrophobicContact CB-CB 4.27Å; M349-E353 VanDerWaalsContact CB-OE2 3.25Å; M349-E353 WeakPolarHBondContact CB-OE2 3.17Å; M349-E353 VanDerWaalsContact CE-C 3.47Å; M349-E353 HydrophobicContact CE-CB 3.82Å; S350-E353 PolarHBondContact N-OE2 2.93Å; S350-E353 PolarHBondContact O-N 2.87Å; S350-E353 PolarHBondContact OG-N 3.19Å; E353-L355 VanDerWaalsContact C-N 3.31Å; E353-Q356 PolarHBondContact O-N 2.86Å; E353-Q357 WeakPolarHBondContact O-CG 3.39Å; E353-Q357 PolarHBondContact O-N 3.39Å; E353-Q357 VanDerWaalsContact O-N 3.07Å
354	I	62.3	Low	55.4	Low	8 Å²	8	85 Å²	85	4%	0.041	43%	0.433	C	S	.	.	H	α-helix	trans	-56.7	-50.7	167.9	-69.2	173.2	0	0	0	109	K331 V332 N335 M349 S350 I351 Q356 Q357 I358	K331-I354 HydrophobicContact CB-CG2 4.08Å; K331-I354 HydrophobicContact CG-CB 4.2Å; K331-I354 HydrophobicContact CG-CD1 4.28Å; K331-I354 HydrophobicContact CG-CG1 3.84Å; K331-I354 HydrophobicContact CG-CG2 3.63Å; V332-I354 HydrophobicContact CG2-CD1 4.18Å; N335-I354 HydrophobicContact CB-CD1 4.42Å; N335-I354 VanDerWaalsContact ND2-CD1 3.34Å; N335-I354 WeakPolarHBondContact ND2-CD1 3.43Å; N335-I354 WeakPolarHBondContact ND2-CG1 3.45Å; M349-I354 HydrophobicContact CE-CB 4.41Å; M349-I354 HydrophobicContact CE-CG1 3.89Å; M349-I354 HydrophobicContact SD-CG1 4.5Å; S350-I354 WeakPolarHBondContact O-CG1 3.17Å; S350-I354 PolarHBondContact O-N 3.29Å; I351-I354 HydrophobicContact CG1-CD1 4.48Å; I351-I354 WeakPolarHBondContact O-CB 3.47Å; I351-I354 PolarHBondContact O-N 3.08Å; I354-Q356 VanDerWaalsContact C-N 3.35Å; I354-Q357 PolarHBondContact O-N 2.87Å; I354-I358 HydrophobicContact CG2-CD1 3.84Å; I354-I358 VanDerWaalsContact O-CG1 3.3Å; I354-I358 WeakPolarHBondContact O-CG1 3.34Å; I354-I358 PolarHBondContact O-N 3.02Å; I354-I358 VanDerWaalsContact O-N 3.16Å
355	L	61.2	Low	55.2	Low	12 Å²	12	83.4 Å²	83.4	6%	0.063	42%	0.42	C	S	.	.	H	α-helix	trans	-67.5	-35.1	-177.5	-72	170.8	0	0	0	111.9	L239 I328 I351 D352 E353 I358 R359	L239-L355 HydrophobicContact CD2-CD1 3.78Å; L239-L355 HydrophobicContact CD2-CD2 4.08Å; L239-L355 HydrophobicContact CD2-CG 4.39Å; L239-L355 HydrophobicContact CG-CD1 4.28Å; I328-L355 HydrophobicContact CD1-CD2 4.26Å; I351-L355 HydrophobicContact CG2-CD1 3.92Å; I351-L355 WeakPolarHBondContact O-CB 3.37Å; I351-L355 VanDerWaalsContact O-CG 3.26Å; I351-L355 WeakPolarHBondContact O-CG 3.42Å; I351-L355 PolarHBondContact O-N 2.86Å; D352-L355 PolarHBondContact O-N 3.04Å; E353-L355 VanDerWaalsContact C-N 3.31Å; L355-I358 CarbonylContact O-C 3.57Å; L355-I358 PolarHBondContact O-N 3.45Å; L355-R359 WeakPolarHBondContact O-CG 3.2Å; L355-R359 PolarHBondContact O-N 3.15Å
356	Q	64.1	Low	55.1	Low	82 Å²	82	82.3 Å²	82.3	38%	0.383	42%	0.422	S	S	.	.	H	α-helix	trans	-63.7	-51.8	175.1	-168.1	59.5	43.5	0	0	111	D352 E353 I354 I358 R359 D360	D352-Q356 WeakPolarHBondContact O-CB 3.31Å; D352-Q356 PolarHBondContact O-N 2.88Å; E353-Q356 PolarHBondContact O-N 2.86Å; I354-Q356 VanDerWaalsContact C-N 3.35Å; Q356-I358 PolarHBondContact O-N 2.9Å; Q356-R359 WeakPolarHBondContact O-CA 3.4Å; Q356-R359 WeakPolarHBondContact O-CB 3.43Å; Q356-R359 PolarHBondContact O-N 2.69Å; Q356-R359 VanDerWaalsContact OE1-CZ 3.24Å; Q356-D360 PolarHBondContact NE2-OD1 3.28Å; Q356-D360 PolarHBondContact O-N 3.29Å; Q356-D360 VanDerWaalsContact O-OD2 3.13Å
357	Q	62.5	Low	54.8	Low	93 Å²	93	76 Å²	76	44%	0.435	39%	0.388	S	S	.	.	H	α-helix	trans	-55.9	-28	175.9	-70.1	177.3	6.3	0	0	112.7	E353 I354 M361	E353-Q357 WeakPolarHBondContact O-CG 3.39Å; E353-Q357 PolarHBondContact O-N 3.39Å; E353-Q357 VanDerWaalsContact O-N 3.07Å; I354-Q357 PolarHBondContact O-N 2.87Å; Q357-M361 WeakPolarHBondContact O-CB 3.47Å; Q357-M361 PolarHBondContact O-N 2.98Å
358	I	58.5	Low	54.4	Low	5 Å²	5	70 Å²	70	3%	0.026	37%	0.369	C	S	.	.	H	α-helix	trans	-87.8	-28.6	177.6	-66.8	174	0	0	0	112.4	R324 A327 I328 K331 I354 L355 Q356 M361 Y362	R324-I358 HydrophobicContact CG-CG2 4.35Å; A327-I358 HydrophobicContact CB-CD1 4.4Å; I328-I358 HydrophobicContact CB-CD1 4.41Å; I328-I358 HydrophobicContact CD1-CG2 4.3Å; I328-I358 HydrophobicContact CG1-CD1 3.58Å; I328-I358 HydrophobicContact CG1-CG2 4.08Å; K331-I358 HydrophobicContact CB-CD1 4.35Å; I354-I358 HydrophobicContact CG2-CD1 3.84Å; I354-I358 VanDerWaalsContact O-CG1 3.3Å; I354-I358 WeakPolarHBondContact O-CG1 3.34Å; I354-I358 PolarHBondContact O-N 3.02Å; I354-I358 VanDerWaalsContact O-N 3.16Å; L355-I358 CarbonylContact O-C 3.57Å; L355-I358 PolarHBondContact O-N 3.45Å; Q356-I358 PolarHBondContact O-N 2.9Å; I358-M361 HydrophobicContact CG1-CE 4.07Å; I358-Y362 HydrophobicContact CG2-CD2 3.97Å; I358-Y362 HydrophobicContact CG2-CE2 4.5Å; I358-Y362 WeakPolarHBondContact O-CB 3.19Å; I358-Y362 PolarHBondContact O-N 2.91Å; I358-Y362 VanDerWaalsContact O-N 3.13Å
359	R	61.1	Low	53.6	Low	72 Å²	72	72 Å²	72	27%	0.272	37%	0.374	S	S	.	.	H	α-helix	trans	-63.1	-51.8	166.1	-76.6	-177.2	-72	-96.9	1.3	109.6	D352 L355 Q356 M361 Y362 G363	D352-R359 PolarHBondContact O-NH2 2.85Å; L355-R359 WeakPolarHBondContact O-CG 3.2Å; L355-R359 PolarHBondContact O-N 3.15Å; Q356-R359 WeakPolarHBondContact O-CA 3.4Å; Q356-R359 WeakPolarHBondContact O-CB 3.43Å; Q356-R359 PolarHBondContact O-N 2.69Å; Q356-R359 VanDerWaalsContact OE1-CZ 3.24Å; R359-M361 VanDerWaalsContact C-N 3.28Å; R359-M361 PolarHBondContact O-N 2.81Å; R359-Y362 PolarHBondContact O-N 3.05Å; R359-G363 WeakPolarHBondContact O-CA 3.26Å; R359-G363 PolarHBondContact O-N 3.02Å
360	D	61.6	Low	52.9	Low	113 Å²	113	72.9 Å²	72.9	60%	0.604	38%	0.382	S	S	*	.	H	α-helix	trans	-59.5	-37	-179.7	-55	-26.2	0	0	0	112.3	Q356	Q356-D360 PolarHBondContact NE2-OD1 3.28Å; Q356-D360 PolarHBondContact O-N 3.29Å; Q356-D360 VanDerWaalsContact O-OD2 3.13Å
361	M	54	Low	51.6	Low	116 Å²	116	78.9 Å²	78.9	57%	0.571	40%	0.404	S	S	*	.	H	α-helix	trans	-82.8	-27.8	-177.8	175.5	172.2	29.5	0	0	114.8	Q357 I358 R359	Q357-M361 WeakPolarHBondContact O-CB 3.47Å; Q357-M361 PolarHBondContact O-N 2.98Å; I358-M361 HydrophobicContact CG1-CE 4.07Å; R359-M361 VanDerWaalsContact C-N 3.28Å; R359-M361 PolarHBondContact O-N 2.81Å
362	Y	54.7	Low	50.4	Low	99 Å²	99	83.7 Å²	83.7	39%	0.388	43%	0.43	S	S	.	.	H	α-helix	trans	-121.7	-5.1	-173.6	-70.6	-83	0	0	0	115.2	E323 A327 I358 R359	E323-Y362 HydrophobicContact CB-CE1 4.38Å; A327-Y362 HydrophobicContact CB-CE2 3.84Å; I358-Y362 HydrophobicContact CG2-CD2 3.97Å; I358-Y362 HydrophobicContact CG2-CE2 4.5Å; I358-Y362 WeakPolarHBondContact O-CB 3.19Å; I358-Y362 PolarHBondContact O-N 2.91Å; I358-Y362 VanDerWaalsContact O-N 3.13Å; R359-Y362 PolarHBondContact O-N 3.05Å
363	G	52.2	Low	49.2	Very low	37 Å²	37	88.7 Å²	88.7	38%	0.381	45%	0.451	S	S	.	.			trans	77.5	160	-177.9	0	0	0	0	0	114.7	R324 R359	R324-G363 PolarHBondContact NH1-O 3.33Å; R359-G363 WeakPolarHBondContact O-CA 3.26Å; R359-G363 PolarHBondContact O-N 3.02Å
364	D	47.3	Very low	48	Very low	94 Å²	94	91.6 Å²	91.6	50%	0.503	46%	0.464	S	S	.	.	S	Bend	trans	-85.3	-27.4	-168.7	-100.6	-26.9	0	0	0	115.7	S366 L367	D364-S366 PolarHBondContact O-N 2.76Å; D364-L367 PolarHBondContact O-N 3.06Å
365	Y	41.6	Very low	46.8	Very low	152 Å²	152	96.1 Å²	96.1	60%	0.596	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	28	-162.1	-91.6	-87.2	0	0	0	116.8	R572	Y365-R572 PolarHBondContact OH-NH1 3.26Å; Y365-R572 VanDerWaalsContact OH-NH1 3.14Å
366	S	39	Very low	45.9	Very low	89 Å²	89	102.3 Å²	102.3	62%	0.622	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.7	-9.9	173.5	-173.6	0	0	0	0	114.9	D364	D364-S366 PolarHBondContact O-N 2.76Å
367	L	36.5	Very low	44.9	Very low	42 Å²	42	105.6 Å²	105.6	22%	0.22	55%	0.547	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-14.5	-178.3	-67.3	-166.1	0	0	0	114.5	S241 S242 D364	S241-L367 WeakPolarHBondContact O-CD1 3.5Å; S241-L367 PolarHBondContact OG-O 2.93Å; S242-L367 VanDerWaalsContact OG-CD2 3.31Å; S242-L367 WeakPolarHBondContact OG-CD2 3.42Å; D364-L367 PolarHBondContact O-N 3.06Å
368	A	34.3	Very low	43.5	Very low	53 Å²	53	104.4 Å²	104.4	44%	0.438	56%	0.56	S	S	.	*			trans	-110.9	83.9	171.1	0	0	0	0	0	109.9
369	M	30	Very low	42.6	Very low	141 Å²	141	112.5 Å²	112.5	70%	0.695	60%	0.603	S	S	*	*	S	Bend	trans	-122.2	123.8	158.2	-78.9	-59.5	-47.9	0	0	106.4
370	V	36.4	Very low	41.4	Very low	66 Å²	66	114 Å²	114	40%	0.4	63%	0.631	S	S	.	*			trans	69.1	67.4	-159	-163.1	0	0	0	0	111.6	D372	V370-D372 WeakPolarHBondContact CG1-OD1 3.34Å
371	E	36.1	Very low	40.3	Very low	174 Å²	174	117.3 Å²	117.3	81%	0.813	64%	0.643	S	S	*	*				-80.4	134.4	126.9	-68.9	-173.1	149.5	0	0	106.5	E373	E371-E373 PolarHBondContact O-N 2.73Å
372	D	36.6	Very low	39.8	Very low	112 Å²	112	119.7 Å²	119.7	60%	0.599	66%	0.657	S	S	*	*			trans	-89.9	101.5	-173.6	-71.6	-62.7	0	0	0	110.6	V370 E374	V370-D372 WeakPolarHBondContact CG1-OD1 3.34Å; D372-E374 HydrophobicContact CB-CG 4.38Å; D372-E374 PolarHBondContact O-N 3.12Å
373	E	36.2	Very low	38.9	Very low	200 Å²	200	121.2 Å²	121.2	94%	0.935	68%	0.676	S	S	*	*			trans	-74.6	70	157.9	-72	-155.8	174.4	0	0	109.7	E371 D375	E371-E373 PolarHBondContact O-N 2.73Å; E373-D375 PolarHBondContact O-N 2.83Å
374	E	42.6	Very low	38.1	Very low	164 Å²	164	125 Å²	125	77%	0.766	69%	0.694	S	S	*	*			trans	-83.4	104	165.5	-75.5	-151.6	136.9	0	0	110.5	D372 T376	D372-E374 HydrophobicContact CB-CG 4.38Å; D372-E374 PolarHBondContact O-N 3.12Å; E374-T376 PolarHBondContact O-N 3.16Å
375	D	37.2	Very low	37.3	Very low	102 Å²	102	126 Å²	126	55%	0.545	70%	0.704	S	S	.	*			trans	-13.5	87	161.1	-68.6	-30	0	0	0	114	R200 E373 D377	R200-D375 IonicContact CZ-OD2 2.69Å; R200-D375 IonicContact NH1-OD2 3.36Å; R200-D375 PolarHBondContact NH1-OD2 3.31Å; R200-D375 IonicContact NH2-OD1 3.72Å; R200-D375 IonicContact NH2-OD2 3.27Å; R200-D375 PolarHBondContact NH2-OD2 3.14Å; E373-D375 PolarHBondContact O-N 2.83Å; D375-D377 PolarHBondContact O-N 3.27Å
376	T	42.2	Very low	37	Very low	142 Å²	142	123.8 Å²	123.8	87%	0.871	71%	0.706	S	S	*	*			trans	-79.6	65.8	165.2	40.1	0	0	0	0	110.8	E374 G378	E374-T376 PolarHBondContact O-N 3.16Å; T376-G378 PolarHBondContact O-N 2.84Å; T376-G378 VanDerWaalsContact O-N 3.1Å
377	D	42.2	Very low	36.7	Very low	152 Å²	152	128.3 Å²	128.3	81%	0.813	72%	0.715	S	S	*	*			trans	-58.1	110.5	160.5	-84.4	-36.7	0	0	0	107.7	D375	D375-D377 PolarHBondContact O-N 3.27Å
378	G	33.3	Very low	36.4	Very low	68 Å²	68	131.5 Å²	131.5	70%	0.701	74%	0.738	S	S	*	*			trans	-89.6	119.8	-162.4	0	0	0	0	0	115.2	T376	T376-G378 PolarHBondContact O-N 2.84Å; T376-G378 VanDerWaalsContact O-N 3.1Å
379	D	39.4	Very low	36.4	Very low	175 Å²	175	137.7 Å²	137.7	94%	0.936	76%	0.758	S	S	*	*			trans	-91.1	112.3	151.6	-76.2	-43.9	0	0	0	108.2
380	A	36.7	Very low	36.3	Very low	102 Å²	102	141.9 Å²	141.9	84%	0.843	77%	0.766	S	S	*	*			trans	-124	93.6	-170.8	0	0	0	0	0	112.2
381	E	38.8	Very low	36	Very low	184 Å²	184	144.4 Å²	144.4	86%	0.86	78%	0.783	S	S	*	*			trans	-147.3	162.2	166	-162	158.4	-156.6	0	0	110.8
382	L	41.8	Very low	35.9	Very low	165 Å²	165	147.9 Å²	147.9	86%	0.864	79%	0.789	S	S	*	*			trans	70.9	78.5	-178.1	-51.7	-177.5	0	0	0	116.5
383	V	36.9	Very low	35.7	Very low	131 Å²	131	149 Å²	149	79%	0.794	80%	0.8	S	S	*	*			trans	-106.9	140.7	156.2	174.9	0	0	0	0	108.3
384	P	35.6	Very low	35.7	Very low	118 Å²	118	147.7 Å²	147.7	77%	0.766	80%	0.799	S	S	*	*				-136.1	113.5	126.4	16.4	4.8	0	0	0	113.5
385	T	30.3	Very low	35.3	Very low	114 Å²	114	144.2 Å²	144.2	70%	0.699	79%	0.792	S	S	*	*			trans	24.9	130.6	132.6	57.1	0	0	0	0	118.4
386	T	34.9	Very low	35.4	Very low	105 Å²	105	144.4 Å²	144.4	64%	0.644	79%	0.794	S	S	*	*				-173.7	171.1	71.4	-57.9	0	0	0	0	111.4
387	F	32.4	Very low	35.1	Very low	184 Å²	184	142.8 Å²	142.8	81%	0.807	79%	0.788	S	S	*	*			trans	95.4	101.9	164.5	-57.1	-68.5	0	0	0	118.7
388	P	30.2	Very low	34.9	Very low	110 Å²	110	140.6 Å²	140.6	71%	0.714	79%	0.785	S	S	*	*			trans	-112.3	128.8	173.3	36.5	-25.6	0	0	0	113.8
389	H	34.2	Very low	35	Very low	183 Å²	183	145.2 Å²	145.2	85%	0.847	79%	0.793	S	S	*	*			trans	-136.1	84.8	170.4	-82	-60.8	0	0	0	115.1
390	R	29.4	Very low	34.8	Very low	228 Å²	228	141.4 Å²	141.4	86%	0.86	78%	0.779	S	S	*	*			trans	23.3	126.8	138.4	174.2	176.6	-74.8	-173.5	-3.3	119.3
391	P	29.2	Very low	34.8	Very low	119 Å²	119	141.9 Å²	141.9	77%	0.773	78%	0.776	S	S	*	*			trans	-72.6	158.1	165.6	33.3	-35.8	0	0	0	112.6
392	R	34.1	Very low	34.8	Very low	247 Å²	247	141.1 Å²	141.1	93%	0.932	77%	0.773	S	S	*	*			trans	-94.3	140.3	178.3	-76.4	-177.5	171.4	134	-2.7	112.7
393	T	32.5	Very low	34.5	Very low	136 Å²	136	139.5 Å²	139.5	83%	0.834	76%	0.764	S	S	*	*			trans	-124.5	139.6	167.7	51.5	0	0	0	0	109.8
394	L	36.2	Very low	34.5	Very low	172 Å²	172	139.8 Å²	139.8	90%	0.901	77%	0.767	S	S	*	*			trans	-143	150.8	170.3	-75.1	172.8	0	0	0	106.8
395	S	34.4	Very low	34.5	Very low	91 Å²	91	137.7 Å²	137.7	64%	0.636	77%	0.766	S	S	*	*			cis	-134.7	-179	-1.9	56.1	0	0	0	0	108.5
396	D	37.8	Very low	34.7	Very low	107 Å²	107	143.9 Å²	143.9	57%	0.572	78%	0.777	S	S	*	*			cis	-151	-173.4	46.2	-91	-38.1	0	0	0	113.2	T24	T24-D396 PolarHBondContact OG1-OD2 2.87Å
397	S	37.4	Very low	34.8	Very low	107 Å²	107	143.4 Å²	143.4	75%	0.748	78%	0.778	S	S	*	*			trans	-130.9	161.1	-160.1	69.3	0	0	0	0	114.6
398	S	37	Very low	34.9	Very low	107 Å²	107	144.2 Å²	144.2	75%	0.748	78%	0.781	S	S	*	*			trans	-161.8	125.7	164.6	-72.2	0	0	0	0	112.6
399	L	36.1	Very low	35	Very low	165 Å²	165	143.6 Å²	143.6	86%	0.864	78%	0.779	S	S	*	*			trans	61.1	137.8	149.1	-51.8	170.7	0	0	0	118.6
400	S	35.2	Very low	35	Very low	94 Å²	94	139.5 Å²	139.5	66%	0.657	78%	0.777	S	S	*	*			cis	-171	160.3	-0.5	-108.2	0	0	0	0	111.7
401	S	37.2	Very low	35	Very low	112 Å²	112	133.5 Å²	133.5	78%	0.783	77%	0.77	S	S	*	*			trans	71.9	144	159.1	82	0	0	0	0	118.4
402	Q	38.7	Very low	35.1	Very low	168 Å²	168	134.4 Å²	134.4	79%	0.785	77%	0.768	S	S	*	*			cis	-163.7	173.2	-29.9	-139.5	-179.4	75	0	0	111.4
403	L	35.7	Very low	34.8	Very low	131 Å²	131	129.8 Å²	129.8	69%	0.686	76%	0.757	S	S	*	*			trans	79	102	157.4	-66.1	166.7	0	0	0	121.4
404	T	36.1	Very low	34.7	Very low	138 Å²	138	130 Å²	130	85%	0.847	75%	0.753	S	S	*	*				66.5	133.6	129.9	57.4	0	0	0	0	122
405	G	34.6	Very low	34.6	Very low	73 Å²	73	127.2 Å²	127.2	75%	0.753	74%	0.742	S	S	*	*			trans	-154.4	-44.5	176.6	0	0	0	0	0	120.7
406	R	35	Very low	34.2	Very low	244 Å²	244	128 Å²	128	92%	0.921	75%	0.747	S	S	*	*			trans	63.4	148	176.8	168.9	-169.6	177	161.3	-3.4	116.2
407	S	36.4	Very low	34.2	Very low	95 Å²	95	131 Å²	131	66%	0.664	76%	0.757	S	S	*	*			cis	-173.9	159	-29.6	-80.9	0	0	0	0	108.6
408	K	34.7	Very low	33.9	Very low	202 Å²	202	129.8 Å²	129.8	88%	0.878	75%	0.749	S	S	*	*			trans	70.7	158.2	161.1	-69.4	175.8	-178.2	-172.8	0	117.8
409	S	32.6	Very low	33.8	Very low	96 Å²	96	130.9 Å²	130.9	67%	0.671	75%	0.746	S	S	*	*			cis	175.7	142	-42.8	50.3	0	0	0	0	109.8
410	A	34.7	Very low	33.7	Very low	97 Å²	97	131.6 Å²	131.6	80%	0.802	75%	0.745	S	S	*	*			trans	63.6	162.6	162.2	0	0	0	0	0	116.5
411	S	30.1	Very low	33.8	Very low	102 Å²	102	132.5 Å²	132.5	71%	0.713	75%	0.749	S	S	*	*			cis	-172.7	171.4	-26.6	54.4	0	0	0	0	109.4
412	L	29.7	Very low	33.7	Very low	138 Å²	138	134 Å²	134	72%	0.723	75%	0.753	S	S	*	*			trans	84.9	148.1	155	-136.7	73.2	0	0	0	118.2
413	E	28.3	Very low	33.3	Very low	150 Å²	150	133 Å²	133	70%	0.701	75%	0.753	S	S	*	*			trans	-23.6	164.1	164.6	-65.2	110.2	-121.9	0	0	118
414	D	31.8	Very low	33.2	Very low	141 Å²	141	134.5 Å²	134.5	75%	0.754	76%	0.761	S	S	*	*			cis	-170.3	169.6	43.4	-147.9	-2.6	0	0	0	116.9
415	V	32.4	Very low	32.9	Very low	113 Å²	113	134.7 Å²	134.7	69%	0.685	76%	0.757	S	S	*	*			trans	60.7	142	148.9	157.1	0	0	0	0	122.6
416	C	26.8	Very low	32.9	Very low	108 Å²	108	142.6 Å²	142.6	73%	0.73	76%	0.764	S	S	*	*			trans	-70.5	171.4	174.1	-51	0	0	0	0	114.3
417	H	36.9	Very low	32.8	Very low	169 Å²	169	135.6 Å²	135.6	78%	0.782	75%	0.752	S	S	*	*				-172.6	136.9	115	-106.8	-72.2	0	0	0	115.9
418	S	31.6	Very low	32.8	Very low	83 Å²	83	137.1 Å²	137.1	58%	0.58	76%	0.763	S	S	*	*			trans	65.9	124.3	135.2	-81.6	0	0	0	0	125.6
419	D	35.9	Very low	32.8	Very low	129 Å²	129	136.9 Å²	136.9	69%	0.69	76%	0.762	S	S	*	*				89.6	96.6	120.4	-60.3	-37.4	0	0	0	124.9
420	Q	33.5	Very low	32.7	Very low	181 Å²	181	137.8 Å²	137.8	85%	0.846	77%	0.767	S	S	*	*				88.3	152.3	123.4	-68.3	-162.1	14.7	0	0	123.2
421	P	38.1	Very low	32.6	Very low	113 Å²	113	138.1 Å²	138.1	73%	0.734	76%	0.763	S	S	*	*			trans	-121.5	158.6	-168.5	41.9	-27.6	0	0	0	115.8
422	V	34.8	Very low	32.9	Very low	143 Å²	143	138.6 Å²	138.6	87%	0.867	76%	0.762	S	S	*	*			trans	-143.8	147.3	166.2	-168.3	0	0	0	0	111.8
423	N	28.7	Very low	33.1	Very low	146 Å²	146	139.8 Å²	139.8	78%	0.781	77%	0.768	S	S	*	*			trans	-67.9	163	174.9	-46.9	-86.2	0	0	0	113.7
424	L	34.4	Very low	33.3	Very low	163 Å²	163	135.9 Å²	135.9	85%	0.853	77%	0.768	S	S	*	*				-175	166.8	100	-145.5	59.6	0	0	0	113.4
425	D	29.9	Very low	33.6	Very low	142 Å²	142	134.6 Å²	134.6	76%	0.759	77%	0.766	S	S	*	*			trans	-66.2	164.4	-178	-52.2	-96.6	0	0	0	116.2
426	R	34.8	Very low	33.7	Very low	239 Å²	239	134.6 Å²	134.6	90%	0.902	77%	0.766	S	S	*	*				176	146.4	96.6	-160.2	164.1	-175.5	-166.7	1.8	115.9
427	S	33.3	Very low	34	Very low	98 Å²	98	136.2 Å²	136.2	69%	0.685	77%	0.767	S	S	*	*			trans	-57.5	161	-176.6	61.4	0	0	0	0	120.4
428	S	36.7	Very low	34.1	Very low	126 Å²	126	136.5 Å²	136.5	88%	0.881	78%	0.775	S	S	*	*				-161.5	173.3	126.3	39.7	0	0	0	0	112.9
429	K	33.2	Very low	34.2	Very low	198 Å²	198	138.6 Å²	138.6	86%	0.861	78%	0.775	S	S	*	*			trans	-129.4	158.8	-163.2	-69.2	177.9	173.5	178	0	114.1
430	C	31.9	Very low	34.2	Very low	115 Å²	115	140.8 Å²	140.8	78%	0.777	79%	0.786	S	S	*	*				171.7	119.3	128.4	-93.1	0	0	0	0	109.6
431	S	32.8	Very low	34.1	Very low	103 Å²	103	138.8 Å²	138.8	72%	0.72	78%	0.775	S	S	*	*				75.5	147.1	77.3	72.9	0	0	0	0	113.2
432	V	35.8	Very low	33.7	Very low	113 Å²	113	139.3 Å²	139.3	69%	0.685	78%	0.775	S	S	*	*			cis	-159	142.4	40.9	169.3	0	0	0	0	111.5
433	L	32.9	Very low	33.7	Very low	162 Å²	162	138.1 Å²	138.1	85%	0.848	77%	0.768	S	S	*	*			trans	48	141.5	162.1	-62.3	164.3	0	0	0	119.5	T435	L433-T435 HydrophobicContact CD2-CG2 4.41Å
434	G	33.7	Very low	33.7	Very low	69 Å²	69	136.5 Å²	136.5	71%	0.711	77%	0.768	S	S	*	*			cis	157.5	177.4	8.4	0	0	0	0	0	108.5
435	T	37	Very low	33.8	Very low	114 Å²	114	136 Å²	136	70%	0.699	77%	0.766	S	S	*	*			cis	-162.6	145.3	-4.7	46.1	0	0	0	0	109.4	L433	L433-T435 HydrophobicContact CD2-CG2 4.41Å
436	T	34.3	Very low	34.1	Very low	112 Å²	112	133.3 Å²	133.3	69%	0.687	76%	0.764	S	S	*	*			trans	42.6	143.8	146.8	63.1	0	0	0	0	122.7
437	D	34.3	Very low	33.9	Very low	142 Å²	142	129.3 Å²	129.3	76%	0.759	76%	0.761	S	S	*	*			cis	-170	149.7	-14.7	-90.7	-29.9	0	0	0	107
438	D	38.7	Very low	33.9	Very low	176 Å²	176	132.4 Å²	132.4	94%	0.941	77%	0.767	S	S	*	*			trans	-173.4	150.2	131.6	-118.2	-31.6	0	0	0	111.3
439	E	33.8	Very low	33.8	Very low	126 Å²	126	131.8 Å²	131.8	59%	0.589	76%	0.76	S	S	*	*			trans	-129.2	137.3	-159	-169.1	-163.3	108.7	0	0	114	K441	E439-K441 HydrophobicContact CG-CG 4.14Å; E439-K441 VanDerWaalsContact OE1-CD 3.24Å; E439-K441 WeakPolarHBondContact OE1-CD 3.21Å; E439-K441 VanDerWaalsContact OE1-CE 3.27Å; E439-K441 WeakPolarHBondContact OE1-CE 3.34Å; E439-K441 WeakPolarHBondContact OE1-CG 3.17Å; E439-K441 IonicContact OE1-NZ 2.68Å; E439-K441 PolarHBondContact OE1-NZ 2.81Å; E439-K441 WeakPolarHBondContact OE2-CE 3.18Å; E439-K441 IonicContact OE2-NZ 2.84Å; E439-K441 PolarHBondContact OE2-NZ 2.83Å
440	L	35.3	Very low	33.5	Very low	175 Å²	175	132.4 Å²	132.4	92%	0.916	76%	0.764	S	S	*	*			trans	-153.4	91.1	150.3	-114	156.2	0	0	0	114.3
441	K	31.5	Very low	33.6	Very low	140 Å²	140	136.7 Å²	136.7	61%	0.609	77%	0.769	S	S	*	*			trans	-42	169.5	153	-71.4	-174	-174.3	116.4	0	113.2	E439	E439-K441 HydrophobicContact CG-CG 4.14Å; E439-K441 VanDerWaalsContact OE1-CD 3.24Å; E439-K441 WeakPolarHBondContact OE1-CD 3.21Å; E439-K441 VanDerWaalsContact OE1-CE 3.27Å; E439-K441 WeakPolarHBondContact OE1-CE 3.34Å; E439-K441 WeakPolarHBondContact OE1-CG 3.17Å; E439-K441 IonicContact OE1-NZ 2.68Å; E439-K441 PolarHBondContact OE1-NZ 2.81Å; E439-K441 WeakPolarHBondContact OE2-CE 3.18Å; E439-K441 IonicContact OE2-NZ 2.84Å; E439-K441 PolarHBondContact OE2-NZ 2.83Å
442	V	30.6	Very low	33.4	Very low	123 Å²	123	142.9 Å²	142.9	75%	0.745	78%	0.777	S	S	*	*			cis	-171	155.7	-1.5	121.8	0	0	0	0	105.2
443	V	34.5	Very low	33.3	Very low	118 Å²	118	143.6 Å²	143.6	72%	0.715	78%	0.781	S	S	*	*				-153	152.8	59.8	-176.1	0	0	0	0	110.8
444	S	29.2	Very low	33.2	Very low	112 Å²	112	141.3 Å²	141.3	78%	0.783	78%	0.776	S	S	*	*			trans	-141.2	130.6	162.2	56.7	0	0	0	0	110.7
445	D	36.1	Very low	32.9	Very low	152 Å²	152	142.7 Å²	142.7	81%	0.813	77%	0.774	S	S	*	*			trans	-154.1	150.2	172.3	-83.3	-50.7	0	0	0	107.3
446	A	36	Very low	32.7	Very low	86 Å²	86	147.1 Å²	147.1	71%	0.711	79%	0.785	S	S	*	*			cis	-160.2	171.6	-19.7	0	0	0	0	0	108.4
447	D	31.1	Very low	32.6	Very low	156 Å²	156	146.8 Å²	146.8	83%	0.834	79%	0.787	S	S	*	*			trans	-83.3	-161	-165.2	-68.8	-77.7	0	0	0	117.6
448	I	32.8	Very low	32.6	Very low	162 Å²	162	147.4 Å²	147.4	83%	0.831	79%	0.79	S	S	*	*			trans	80.2	148.5	158.7	4.1	-175.4	0	0	0	117.8
449	P	34.2	Very low	32.4	Very low	113 Å²	113	145.1 Å²	145.1	73%	0.734	79%	0.785	S	S	*	*				-131.3	-179	-79.6	43.6	-31.7	0	0	0	116.6
450	F	27.9	Very low	32.1	Very low	211 Å²	211	143.3 Å²	143.3	93%	0.925	79%	0.786	S	S	*	*			trans	-22.2	134.6	167.2	-78.1	-94.9	0	0	0	118.9
451	K	32.4	Very low	31.9	Very low	205 Å²	205	142.9 Å²	142.9	89%	0.891	78%	0.779	S	S	*	*			trans	-148.1	149.1	143.7	-125.8	171.2	-173.5	174	0	114.1
452	R	30	Very low	32	Very low	233 Å²	233	145.6 Å²	145.6	88%	0.879	79%	0.791	S	S	*	*			trans	-44.8	151.6	-169.8	-114.1	162	-87	162.3	-8.8	118.5
453	V	34	Very low	31.8	Very low	128 Å²	128	144.6 Å²	144.6	78%	0.776	79%	0.79	S	S	*	*			trans	-59.2	161.9	164.1	-138.2	0	0	0	0	112
454	P	31	Very low	31.7	Very low	114 Å²	114	144.8 Å²	144.8	74%	0.74	79%	0.791	S	S	*	*				-138.4	168.6	96.3	39.1	-27.3	0	0	0	115.5
455	S	26.7	Very low	31.8	Very low	98 Å²	98	147 Å²	147	69%	0.685	79%	0.793	S	S	*	*			trans	-66.4	157.1	176.4	49.3	0	0	0	0	114.4
456	F	32.4	Very low	31.6	Very low	208 Å²	208	143.2 Å²	143.2	91%	0.912	79%	0.789	S	S	*	*			trans	-125.8	136.5	153.7	-105.4	-90.5	0	0	0	110.3
457	S	33.1	Very low	31.5	Very low	104 Å²	104	146.3 Å²	146.3	73%	0.727	79%	0.794	S	S	*	*			trans	-97.7	168.6	177.3	-47.3	0	0	0	0	110.8
458	D	34.2	Very low	31.5	Very low	156 Å²	156	146.1 Å²	146.1	83%	0.834	79%	0.788	S	S	*	*			trans	-57.8	165.7	168.2	-58.6	-70.3	0	0	0	112.6
459	P	34	Very low	31.6	Very low	128 Å²	128	143.3 Å²	143.3	83%	0.831	78%	0.78	S	S	*	*				-133.9	150	106.3	37.5	-30.1	0	0	0	114.9
460	S	27.7	Very low	31.3	Very low	87 Å²	87	145.9 Å²	145.9	61%	0.608	78%	0.78	S	S	*	*			trans	-79.5	-179.3	165.3	49.5	0	0	0	0	112.3
461	H	31.5	Very low	31.5	Very low	167 Å²	167	140.5 Å²	140.5	77%	0.773	77%	0.768	S	S	*	*			trans	75.8	97.3	173.4	-51.5	-84.9	0	0	0	117.5
462	F	31.6	Very low	31.6	Very low	197 Å²	197	138.6 Å²	138.6	86%	0.864	76%	0.762	S	S	*	*				-138.3	120.7	124.2	-141.5	-91.4	0	0	0	110.1
463	S	27.1	Very low	31.6	Very low	102 Å²	102	135.6 Å²	135.6	71%	0.713	76%	0.759	S	S	*	*			trans	-110.1	130	176.3	52.6	0	0	0	0	109.1
464	T	33.8	Very low	31.5	Very low	121 Å²	121	137.6 Å²	137.6	74%	0.742	76%	0.764	S	S	*	*			trans	-142.3	129	169.6	-53	0	0	0	0	109.1
465	I	30.4	Very low	31.4	Very low	160 Å²	160	138.8 Å²	138.8	82%	0.821	76%	0.764	S	S	*	*			trans	-90	144.5	-179.2	-64.3	164.9	0	0	0	108.2
466	G	32.5	Very low	31.6	Very low	72 Å²	72	140 Å²	140	74%	0.742	77%	0.768	S	S	*	*			trans	-172.1	124.2	173.9	0	0	0	0	0	110.4
467	D	32.5	Very low	31.8	Very low	150 Å²	150	137.9 Å²	137.9	80%	0.802	76%	0.764	S	S	*	*			trans	-87.7	162	-161.6	-63.2	-85.9	0	0	0	116
468	E	32	Very low	31.8	Very low	153 Å²	153	142 Å²	142	72%	0.715	77%	0.769	S	S	*	*			trans	-58.9	150.7	165	-118.8	-93.6	129.1	0	0	110.9	K470	E468-K470 PolarHBondContact OE1-N 2.98Å; E468-K470 PolarHBondContact OE2-N 2.79Å
469	P	34.9	Very low	31.4	Very low	103 Å²	103	145.9 Å²	145.9	67%	0.669	77%	0.772	S	S	*	*				-150.5	140.7	90	36.6	-18.4	0	0	0	117.8
470	K	27.4	Very low	31.2	Very low	167 Å²	167	145.7 Å²	145.7	73%	0.726	77%	0.772	S	S	*	*			trans	43.6	123.9	131.5	-53.9	168.8	-175.3	168.9	0	118.7	E468	E468-K470 PolarHBondContact OE1-N 2.98Å; E468-K470 PolarHBondContact OE2-N 2.79Å
471	S	31.8	Very low	31.4	Very low	97 Å²	97	148 Å²	148	68%	0.678	78%	0.783	S	S	*	*				179.3	149.1	111	-85	0	0	0	0	115.8
472	Q	34.4	Very low	31.3	Very low	165 Å²	165	146.4 Å²	146.4	77%	0.771	79%	0.785	S	S	*	*			trans	58	104.5	146.1	-66.6	163.3	14.7	0	0	118.5
473	Q	31.4	Very low	31.7	Very low	171 Å²	171	142.9 Å²	142.9	80%	0.799	78%	0.782	S	S	*	*				76.1	109.5	85.3	-78.4	-173.7	6.3	0	0	115.8
474	L	31.8	Very low	31.7	Very low	170 Å²	170	142.9 Å²	142.9	89%	0.89	77%	0.771	S	S	*	*				-156.3	161.9	114.2	-136.7	69.2	0	0	0	111.3
475	N	28.9	Very low	31.7	Very low	138 Å²	138	143.4 Å²	143.4	74%	0.738	77%	0.773	S	S	*	*			trans	-116.7	-178.3	-163.4	-77.8	-46.8	0	0	0	113.9
476	T	31.2	Very low	31.5	Very low	124 Å²	124	141.4 Å²	141.4	76%	0.761	76%	0.758	S	S	*	*			trans	81.1	138.3	165.7	-7.7	0	0	0	0	112.8
477	I	36.3	Very low	31.3	Very low	164 Å²	164	143.2 Å²	143.2	84%	0.841	76%	0.759	S	S	*	*			cis	-132.4	156.5	36.3	-68.3	168.2	0	0	0	115.1
478	K	32.9	Very low	31.3	Very low	191 Å²	191	144.6 Å²	144.6	83%	0.83	76%	0.76	S	S	*	*			trans	-45	152.3	-172.8	-60.1	170.9	179.3	176.7	0	118.9
479	R	25.1	Very low	31	Very low	237 Å²	237	145.1 Å²	145.1	89%	0.894	77%	0.767	S	S	*	*			trans	-83.5	147.9	166.1	-176.8	-172	-65.9	161.4	-2.8	110.7
480	C	29.6	Very low	30.9	Very low	124 Å²	124	147.4 Å²	147.4	84%	0.838	78%	0.779	S	S	*	*			trans	-109.5	159	172	-70.5	0	0	0	0	112.3
481	T	33.2	Very low	30.8	Very low	135 Å²	135	145.5 Å²	145.5	83%	0.828	79%	0.787	S	S	*	*			trans	-121.6	151	-170.2	45.3	0	0	0	0	113
482	T	29.7	Very low	30.8	Very low	134 Å²	134	144.3 Å²	144.3	82%	0.822	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-78.5	144.3	173.7	45.8	0	0	0	0	112.6
483	P	38.2	Very low	30.7	Very low	123 Å²	123	143.2 Å²	143.2	80%	0.799	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-88.2	149.5	167.5	35.1	-32.3	0	0	0	112.1
484	E	28.3	Very low	30.5	Very low	102 Å²	102	140.8 Å²	140.8	48%	0.477	79%	0.792	S	S	.	*	P	Polyproline II helix	trans	-102.8	159.8	163.9	-59.3	-178.4	-173.3	0	0	110.6	N93 S94	N93-E484 WeakPolarHBondContact CB-OE1 3.4Å; N93-E484 WeakPolarHBondContact CB-OE2 3.42Å; N93-E484 PolarHBondContact N-OE1 2.73Å; S94-E484 VanDerWaalsContact CB-CD 3.46Å; S94-E484 WeakPolarHBondContact CB-OE2 3.43Å; S94-E484 PolarHBondContact OG-OE2 3.17Å
485	V	33.6	Very low	30.7	Very low	131 Å²	131	138.5 Å²	138.5	79%	0.794	79%	0.787	S	S	*	*			trans	-132.5	135	163.6	-179	0	0	0	0	110.3
486	K	25.9	Very low	30.7	Very low	118 Å²	118	139.2 Å²	139.2	51%	0.513	79%	0.791	S	S	.	*			trans	-148	119.1	-178.9	179.5	167.3	-162.5	-178.9	0	109.2	N93 F95	N93-K486 PolarHBondContact OD1-NZ 2.95Å; F95-K486 HydrophobicContact CD2-CB 4.49Å; F95-K486 HydrophobicContact CE2-CB 3.71Å; F95-K486 HydrophobicContact CE2-CD 3.82Å; F95-K486 HydrophobicContact CE2-CG 3.58Å; F95-K486 HydrophobicContact CZ-CD 4.22Å; F95-K486 HydrophobicContact CZ-CG 4.05Å
487	C	29.2	Very low	30.7	Very low	111 Å²	111	142.7 Å²	142.7	75%	0.75	80%	0.798	S	S	*	*			trans	-160.4	122.4	165.6	-99	0	0	0	0	113.6
488	H	32.3	Very low	30.3	Very low	178 Å²	178	139.5 Å²	139.5	82%	0.824	79%	0.786	S	S	*	*			trans	43.7	135.9	146.5	-58.8	-72.6	0	0	0	124.6
489	L	25.6	Very low	30.2	Very low	165 Å²	165	138.9 Å²	138.9	86%	0.864	79%	0.788	S	S	*	*			trans	-82.2	150.9	164	-71.5	60.5	0	0	0	110.8
490	T	31.8	Very low	30.3	Very low	151 Å²	151	130.2 Å²	130.2	93%	0.926	76%	0.764	S	S	*	*			trans	-143.9	151.2	137.2	42.1	0	0	0	0	109.4
491	S	26.6	Very low	30.5	Very low	126 Å²	126	131.3 Å²	131.3	88%	0.881	76%	0.762	S	S	*	*			trans	-110.5	145	-173.9	55.1	0	0	0	0	112.5
492	G	31.2	Very low	30.1	Very low	72 Å²	72	129.6 Å²	129.6	74%	0.742	76%	0.755	S	S	*	*			trans	-165.2	94.6	176.6	0	0	0	0	0	115.4
493	T	32.5	Very low	30.2	Very low	143 Å²	143	132.3 Å²	132.3	88%	0.877	76%	0.756	S	S	*	*			trans	38.7	125.5	138.8	-48.8	0	0	0	0	121.5
494	T	27.2	Very low	29.9	Very low	120 Å²	120	134.7 Å²	134.7	74%	0.736	76%	0.756	S	S	*	*			trans	-92.8	166.3	162.7	61.1	0	0	0	0	111.4
495	P	35	Very low	29.8	Very low	122 Å²	122	135.6 Å²	135.6	79%	0.792	77%	0.769	S	S	*	*				-145.1	-178.1	91.4	38.6	-21.6	0	0	0	114.8
496	N	28.5	Very low	29.8	Very low	152 Å²	152	135.1 Å²	135.1	81%	0.813	77%	0.768	S	S	*	*			trans	-88.2	159.2	-179.4	-39.9	-69.6	0	0	0	112.6
497	E	31.6	Very low	29.9	Very low	198 Å²	198	138 Å²	138	93%	0.925	78%	0.783	S	S	*	*			trans	-142.4	166.9	145.8	-149.3	162	-138.6	0	0	111.1
498	V	28.7	Very low	30.1	Very low	96 Å²	96	142.6 Å²	142.6	58%	0.582	79%	0.791	S	S	*	*			trans	-126.4	130.9	-159.5	174.8	0	0	0	0	111.6	I832	V498-I832 HydrophobicContact CG1-CD1 3.77Å; V498-I832 HydrophobicContact CG2-CD1 3.98Å
499	M	31.4	Very low	30.1	Very low	178 Å²	178	139.5 Å²	139.5	88%	0.877	79%	0.789	S	S	*	*			trans	-148.6	145.6	150.4	-153.9	162.6	-177.7	0	0	111.1
500	S	27.2	Very low	30.5	Very low	56 Å²	56	137.4 Å²	137.4	39%	0.392	78%	0.783	S	S	.	*			trans	-131.4	135	176.4	-56.6	0	0	0	0	108.3
501	D	32.2	Very low	30.7	Very low	147 Å²	147	139.5 Å²	139.5	79%	0.786	78%	0.779	S	S	*	*			trans	-151.1	159.1	164.5	-141.4	-25.3	0	0	0	111.3
502	S	26.4	Very low	30.8	Very low	99 Å²	99	140.5 Å²	140.5	69%	0.692	77%	0.77	S	S	*	*			trans	-140	121.6	-163.3	-179.4	0	0	0	0	112.4
503	F	31.9	Very low	30.9	Very low	191 Å²	191	147.2 Å²	147.2	84%	0.838	78%	0.779	S	S	*	*			trans	-144.3	166.9	172.6	-92.6	-70.3	0	0	0	114.9
504	Q	30.5	Very low	30.9	Very low	172 Å²	172	150 Å²	150	80%	0.804	78%	0.778	S	S	*	*			trans	-99.5	163.9	-147.8	-64.6	172.7	-34.3	0	0	116.2
505	V	27.2	Very low	31.2	Very low	121 Å²	121	153.8 Å²	153.8	73%	0.733	79%	0.785	S	S	*	*			trans	-81.7	145	177.7	177.8	0	0	0	0	112.5
506	P	32.4	Very low	31.2	Very low	121 Å²	121	158.6 Å²	158.6	79%	0.786	79%	0.787	S	S	*	*			trans	-120.6	110.8	158.1	34.6	-22.9	0	0	0	113.6
507	H	28.9	Very low	31.6	Very low	179 Å²	179	157 Å²	157	83%	0.829	78%	0.783	S	S	*	*			trans	-81.7	148.2	167.5	-92.2	-78.3	0	0	0	112.3
508	K	32.5	Very low	31.7	Very low	208 Å²	208	159.3 Å²	159.3	90%	0.904	78%	0.783	S	S	*	*			trans	-134.2	140.5	161.8	-77.4	179.4	179	166.3	0	111.7
509	S	31.9	Very low	31.9	Very low	113 Å²	113	163.7 Å²	163.7	79%	0.79	79%	0.794	S	S	*	*			trans	-133.5	-149	172.8	69.8	0	0	0	0	109.8
510	V	35.2	Very low	32	Very low	121 Å²	121	162.4 Å²	162.4	73%	0.733	78%	0.784	S	S	*	*			trans	84.1	140.9	-172.8	-174.7	0	0	0	0	111.9
511	K	34.8	Very low	32.2	Very low	194 Å²	194	169.4 Å²	169.4	84%	0.843	80%	0.802	S	S	*	*			cis	-144.9	150.4	24.7	-139.8	144.5	-155.3	168.4	0	113.1
512	E	29.9	Very low	32.3	Very low	148 Å²	148	170 Å²	170	69%	0.692	80%	0.804	S	S	*	*			trans	-100.3	172.2	166.8	-77.9	-178.5	142.7	0	0	112.7	Q846	E512-Q846 PolarHBondContact OE1-NE2 3.09Å; E512-Q846 PolarHBondContact OE2-NE2 2.87Å
513	K	32.8	Very low	32.6	Very low	213 Å²	213	168.8 Å²	168.8	93%	0.926	81%	0.807	S	S	*	*			trans	-134.8	147.3	174.5	-139.1	172.7	-174.3	177.5	0	110.7
514	K	32	Very low	32.8	Very low	201 Å²	201	164.9 Å²	164.9	87%	0.874	80%	0.804	S	S	*	*			trans	-151.7	138.4	-158.7	-177.9	177.9	-177.2	173.4	0	115.2
515	K	34.5	Very low	33.1	Very low	199 Å²	199	164.1 Å²	164.1	87%	0.865	80%	0.8	S	S	*	*			trans	-147.2	141.5	157.8	-87.1	-176.4	173.3	179.6	0	107.7
516	R	35.6	Very low	33.6	Very low	224 Å²	224	165 Å²	165	85%	0.845	80%	0.795	S	S	*	*			cis	80.8	130.9	37.9	-88.8	-164.2	148.9	174	-5.1	114.5
517	T	35.4	Very low	33.9	Very low	119 Å²	119	166.1 Å²	166.1	73%	0.73	79%	0.79	S	S	*	*			cis	-178.1	171.9	-16.3	10	0	0	0	0	111.6
518	R	33.4	Very low	34.2	Very low	245 Å²	245	163.8 Å²	163.8	93%	0.925	78%	0.783	S	S	*	*			trans	107.3	167.5	144.2	-123.6	175.1	-172.1	-179.9	0.4	118.9
519	K	34.3	Very low	34.2	Very low	188 Å²	188	161.7 Å²	161.7	82%	0.817	78%	0.777	S	S	*	*				-169.8	163.1	-119.4	-170.4	-178.5	-176.9	171.6	0	113.3
520	K	33	Very low	34.4	Very low	152 Å²	152	162.3 Å²	162.3	66%	0.661	78%	0.776	S	S	*	*			trans	108.7	138.8	146.6	-95.5	-174	171.3	-175.5	0	122.9
521	R	32	Very low	34.5	Very low	202 Å²	202	160.7 Å²	160.7	76%	0.762	77%	0.77	S	S	*	*			trans	82.7	153.2	139.4	-76.9	179.6	167.7	170.4	-7.8	121.1
522	L	33.7	Very low	34.4	Very low	161 Å²	161	158.6 Å²	158.6	84%	0.843	77%	0.768	S	S	*	*			cis	-176.9	140.3	-19.7	-172.9	73.1	0	0	0	114.6
523	G	33	Very low	34.8	Very low	73 Å²	73	156.5 Å²	156.5	75%	0.753	77%	0.77	S	S	*	*			trans	91.2	165.9	152.5	0	0	0	0	0	119.8
524	S	35.6	Very low	34.9	Very low	109 Å²	109	155.3 Å²	155.3	76%	0.762	77%	0.765	S	S	*	*			cis	-174.4	147.7	-23.6	-152.3	0	0	0	0	116
525	H	36.2	Very low	34.7	Very low	156 Å²	156	152.4 Å²	152.4	72%	0.722	76%	0.758	S	S	*	*			trans	85.4	144.7	145.5	-106.2	-75.5	0	0	0	127.1
526	H	38.8	Very low	34.7	Very low	138 Å²	138	151.1 Å²	151.1	64%	0.639	76%	0.757	S	S	*	*			trans	75.1	145.8	163.8	-60.9	-62.4	0	0	0	118.7
527	H	38.2	Very low	34.7	Very low	146 Å²	146	148.5 Å²	148.5	68%	0.676	75%	0.754	S	S	*	*			cis	-170.4	165.7	-3.3	-108.1	-30.5	0	0	0	108.3
528	D	34.4	Very low	34.7	Very low	129 Å²	129	149 Å²	149	69%	0.69	76%	0.76	S	S	*	*			cis	-169.5	178.6	-29.2	-129.7	68.2	0	0	0	112.5
529	E	34.1	Very low	34.7	Very low	165 Å²	165	143.6 Å²	143.6	77%	0.771	75%	0.749	S	S	*	*			trans	58.1	124.9	151	-125.6	-173.5	169.6	0	0	123
530	V	36.2	Very low	35	Very low	126 Å²	126	145.7 Å²	145.7	76%	0.764	75%	0.753	S	S	*	*				176	156	76.6	160.7	0	0	0	0	106.8
531	S	36.4	Very low	35.1	Very low	87 Å²	87	145.3 Å²	145.3	61%	0.608	76%	0.758	S	S	*	*			cis	-158.6	157.6	-18.6	-107.8	0	0	0	0	107.1
532	N	33.4	Very low	35.3	Very low	149 Å²	149	140.6 Å²	140.6	80%	0.797	76%	0.756	S	S	*	*				56.3	141.7	74.3	-78.4	-29.4	0	0	0	117.4
533	S	37.5	Very low	35.5	Very low	105 Å²	105	139.3 Å²	139.3	73%	0.734	76%	0.755	S	S	*	*			cis	-166.1	148.6	-4.1	42.4	0	0	0	0	108.4
534	K	34.2	Very low	36	Very low	188 Å²	188	144.1 Å²	144.1	82%	0.817	76%	0.757	S	S	*	*			cis	90.9	123.6	43.2	-155.1	-169.6	-177.4	-179.9	0	115.4
535	L	28.7	Very low	36.1	Very low	139 Å²	139	146.6 Å²	146.6	73%	0.728	76%	0.762	S	S	*	*			trans	86.5	120.3	152.7	-148.6	78	0	0	0	121.5
536	M	35.5	Very low	36.6	Very low	172 Å²	172	144.4 Å²	144.4	85%	0.847	76%	0.761	S	S	*	*				169	157.9	111.4	-91.5	-161.5	156.6	0	0	115.2
537	Q	34.4	Very low	36.8	Very low	169 Å²	169	143.1 Å²	143.1	79%	0.79	77%	0.768	S	S	*	*			trans	-122.8	165.5	168	-71.6	-178.9	-35.9	0	0	109.2
538	P	36	Very low	37.2	Very low	130 Å²	130	141.7 Å²	141.7	84%	0.844	77%	0.772	S	S	*	*				-146.8	174.9	106.2	37	-20.3	0	0	0	115.9
539	N	33.4	Very low	37.6	Very low	131 Å²	131	141.1 Å²	141.1	70%	0.701	78%	0.775	S	S	*	*			trans	-87.7	159.1	-179.3	-61.1	-38.1	0	0	0	114
540	Y	39.9	Very low	37.7	Very low	233 Å²	233	140.9 Å²	140.9	91%	0.914	78%	0.779	S	S	*	*			trans	173.5	155.3	135.5	-79.5	-59.5	0	0	0	108.6
541	L	36.5	Very low	37.9	Very low	143 Å²	143	140.6 Å²	140.6	75%	0.749	78%	0.778	S	S	*	*			cis	-171.8	132.4	-43.9	170	62.2	0	0	0	107.9
542	S	35.1	Very low	38	Very low	103 Å²	103	141.3 Å²	141.3	72%	0.72	78%	0.783	S	S	*	*			trans	66.6	151	174.1	-61.3	0	0	0	0	116.4
543	T	37.3	Very low	38.4	Very low	134 Å²	134	140 Å²	140	82%	0.822	78%	0.78	S	S	*	*			cis	-144.5	169.1	35.1	-54.1	0	0	0	0	113.1
544	H	45.2	Very low	38.5	Very low	175 Å²	175	140.9 Å²	140.9	81%	0.81	78%	0.781	S	S	*	*			trans	-60.4	150.3	-171.5	-72.1	-104.7	0	0	0	117.9
545	D	37.8	Very low	38.9	Very low	161 Å²	161	135.6 Å²	135.6	86%	0.861	77%	0.767	S	S	*	*				-151.1	140.5	121.8	-150.8	14.9	0	0	0	109.6
546	P	45.1	Very low	39.9	Very low	109 Å²	109	134 Å²	134	71%	0.708	77%	0.768	S	S	*	*			trans	-105.9	137.9	-170.1	36.6	-28.5	0	0	0	115
547	S	43.5	Very low	41.4	Very low	112 Å²	112	131.9 Å²	131.9	78%	0.783	76%	0.764	S	S	*	*			trans	-143.7	165.3	171.8	56.3	0	0	0	0	110.2
548	P	47.1	Very low	43.4	Very low	116 Å²	116	127.3 Å²	127.3	75%	0.753	74%	0.743	S	S	*	*			trans	-76.1	161	-148.2	29.2	-35.3	0	0	0	115.8	D550	P548-D550 PolarHBondContact O-N 3.35Å
549	P	42.5	Very low	45.8	Very low	117 Å²	117	125.5 Å²	125.5	76%	0.76	73%	0.731	S	S	*	*			trans	-78.6	117	-164.4	29.9	-35.9	0	0	0	114.6	T551	P549-T551 PolarHBondContact O-N 2.97Å
550	D	37.1	Very low	48.6	Very low	159 Å²	159	123.5 Å²	123.5	85%	0.85	73%	0.725	S	S	*	*			trans	-60.5	102.1	166.1	-82.9	-42.7	0	0	0	111.3	P548 S552	P548-D550 PolarHBondContact O-N 3.35Å; D550-S552 PolarHBondContact O-N 3.35Å
551	T	39.2	Very low	51	Low	121 Å²	121	114 Å²	114	74%	0.742	69%	0.69	S	S	*	*			trans	-76.7	79.7	174.7	-56.6	0	0	0	0	109.3	P549 V553	P549-T551 PolarHBondContact O-N 2.97Å; T551-V553 VanDerWaalsContact C-N 3.29Å; T551-V553 HydrophobicContact CG2-CG2 4.11Å; T551-V553 PolarHBondContact O-N 3.02Å
552	S	39.8	Very low	53.6	Low	102 Å²	102	112 Å²	112	71%	0.713	68%	0.684	S	S	*	*			trans	-68.4	81.8	177.6	43	0	0	0	0	111.3	D550 V554	D550-S552 PolarHBondContact O-N 3.35Å; S552-V554 VanDerWaalsContact C-N 3.27Å; S552-V554 PolarHBondContact O-N 3.4Å
553	V	40.8	Very low	56.2	Low	121 Å²	121	108.5 Å²	108.5	73%	0.733	66%	0.659	S	S	*	*			trans	-67.9	87.1	172.1	-176.2	0	0	0	0	109.1	T551 S555	T551-V553 VanDerWaalsContact C-N 3.29Å; T551-V553 HydrophobicContact CG2-CG2 4.11Å; T551-V553 PolarHBondContact O-N 3.02Å; V553-S555 VanDerWaalsContact C-N 3.25Å; V553-S555 PolarHBondContact O-N 3.47Å
554	V	40.1	Very low	58.2	Low	123 Å²	123	103.1 Å²	103.1	75%	0.745	63%	0.63	S	S	*	*			trans	-66.5	88.7	170.7	-178.9	0	0	0	0	108.3	S552 S556	S552-V554 VanDerWaalsContact C-N 3.27Å; S552-V554 PolarHBondContact O-N 3.4Å; V554-S556 VanDerWaalsContact C-N 3.29Å; V554-S556 PolarHBondContact O-N 2.86Å
555	S	42.8	Very low	59.7	Low	77 Å²	77	101.9 Å²	101.9	54%	0.538	64%	0.637	S	S	.	*			trans	-68.7	85.4	174.1	170.4	0	0	0	0	109.7	V553 V557	V553-S555 VanDerWaalsContact C-N 3.25Å; V553-S555 PolarHBondContact O-N 3.47Å; S555-V557 PolarHBondContact O-N 2.61Å
556	S	48.6	Very low	61.6	Low	106 Å²	106	98.1 Å²	98.1	74%	0.741	64%	0.637	S	S	*	*			trans	-51.9	104.8	171.3	-68.7	0	0	0	0	110.6	V554 E558	V554-S556 VanDerWaalsContact C-N 3.29Å; V554-S556 PolarHBondContact O-N 2.86Å; S556-E558 PolarHBondContact O-N 2.7Å; S556-E558 VanDerWaalsContact O-N 3.1Å
557	V	66.4	Low	63.6	Low	127 Å²	127	94.2 Å²	94.2	77%	0.77	61%	0.609	S	S	*	*			trans	-73.3	102.3	177.7	-178.4	0	0	0	0	107.9	S555	S555-V557 PolarHBondContact O-N 2.61Å
558	E	77.9	Confident	65.8	Low	74 Å²	74	94.2 Å²	94.2	35%	0.346	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-61.4	126.3	174.3	176.4	152.2	-132.1	0	0	109.7	S556 K671 Y700	S556-E558 PolarHBondContact O-N 2.7Å; S556-E558 VanDerWaalsContact O-N 3.1Å; E558-K671 WeakPolarHBondContact OE1-CE 3.31Å; E558-K671 IonicContact OE1-NZ 2.61Å; E558-K671 PolarHBondContact OE1-NZ 2.87Å; E558-K671 WeakPolarHBondContact OE2-CE 3.33Å; E558-K671 IonicContact OE2-NZ 3.52Å; E558-Y700 HydrophobicContact CB-CE1 4.18Å; E558-Y700 HydrophobicContact CG-CE1 4.02Å
559	P	86.8	Confident	68	Low	92 Å²	92	91.4 Å²	91.4	60%	0.597	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-68.7	156	-173.2	26.3	-36.2	0	0	0	113	I561	P559-I561 PolarHBondContact O-N 3.47Å
560	P	90.5	Very high	70.3	Confident	88 Å²	88	86.8 Å²	86.8	57%	0.571	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-55.9	136.9	172.6	-24.4	33.8	0	0	0	112.3	V701	P560-V701 HydrophobicContact CB-CG1 4.4Å; P560-V701 HydrophobicContact CG-CG1 4.42Å
561	I	90.9	Very high	73	Confident	35 Å²	35	81.7 Å²	81.7	18%	0.179	53%	0.532	C	S	.	.	P	Polyproline II helix	trans	-99.6	141.7	-174.1	-62.5	-176.4	0	0	0	110.1	P559 K671 R672 L699 Y700	P559-I561 PolarHBondContact O-N 3.47Å; I561-K671 HydrophobicContact CD1-CB 3.56Å; I561-K671 HydrophobicContact CD1-CD 3.91Å; I561-K671 HydrophobicContact CD1-CG 3.84Å; I561-R672 HydrophobicContact CG2-CB 4.39Å; I561-L699 WeakPolarHBondContact O-CB 3.44Å; I561-Y700 HydrophobicContact CD1-CD1 4.34Å; I561-Y700 HydrophobicContact CG1-CD1 4.31Å; I561-Y700 PolarHBondContact N-O 2.99Å
562	T	91.6	Very high	75.6	Confident	101 Å²	101	81.2 Å²	81.2	62%	0.62	52%	0.516	S	S	*	.			trans	-116.8	169.1	178.4	55.4	0	0	0	0	112	R672	T562-R672 PolarHBondContact O-NH1 3.29Å
563	C	90.1	Very high	78.3	Confident	29 Å²	29	80 Å²	80	20%	0.196	50%	0.504	C	S	.	.			trans	-58.5	138	164.2	-56.7	0	0	0	0	109.7	H567 H569	C563-H567 HydrophobicContact CB-CB 4.05Å; C563-H569 PolarHBondContact SG-CE1 2.69Å; C563-H569 PolarHBondContact SG-NE2 3.27Å; C563-H569 VanDerWaalsContact SG-NE2 3.44Å
564	G	79.4	Confident	81	Confident	21 Å²	21	75.6 Å²	75.6	22%	0.216	48%	0.475	C	S	.	.			trans	-71	155.4	-174.4	0	0	0	0	0	113.1	G566 H567	G564-G566 PolarHBondContact O-N 3.44Å; G564-H567 VanDerWaalsContact O-CB 3.24Å; G564-H567 WeakPolarHBondContact O-CB 3.34Å; G564-H567 PolarHBondContact O-N 2.98Å
565	P	75.5	Confident	83.7	Confident	148 Å²	148	70 Å²	70	96%	0.961	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	111.1	172.7	26.8	-33.6	0	0	0	109.9
566	G	77.2	Confident	86.2	Confident	82 Å²	82	70.8 Å²	70.8	85%	0.845	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	112.7	-9.7	-173.1	0	0	0	0	0	114.7	G564	G564-G566 PolarHBondContact O-N 3.44Å
567	H	87.2	Confident	88.5	Confident	27 Å²	27	67.6 Å²	67.6	13%	0.125	42%	0.416	C	S	.	.			trans	-67.5	136.8	167.8	-178.3	87.6	0	0	0	110.6	C563 G564 H569 E666 C697	C563-H567 HydrophobicContact CB-CB 4.05Å; G564-H567 VanDerWaalsContact O-CB 3.24Å; G564-H567 WeakPolarHBondContact O-CB 3.34Å; G564-H567 PolarHBondContact O-N 2.98Å; H567-H569 AromaticContact CD2-CE1 3.19Å; H567-H569 PolarHBondContact CD2-CE1 2.93Å; H567-H569 AromaticContact CD2-ND1 3.55Å; H567-H569 AromaticContact CD2-NE2 3.6Å; H567-H569 AromaticContact NE2-CE1 3.02Å; H567-H569 PolarHBondContact NE2-CE1 3.15Å; H567-H569 AromaticContact NE2-ND1 3.22Å; H567-H569 PolarHBondContact NE2-ND1 2.78Å; H567-H569 AromaticContact NE2-NE2 3.91Å; H567-E666 IonicContact CE1-OE2 2.7Å; H567-E666 IonicContact CG-OE2 3.02Å; H567-E666 IonicContact ND1-OE2 3.33Å; H567-E666 PolarHBondContact ND1-OE2 2.84Å; H567-C697 PolarHBondContact NE2-SG 2.71Å; H567-C697 VanDerWaalsContact NE2-SG 3.38Å
568	D	90.6	Very high	89.9	Confident	112 Å²	112	64.6 Å²	64.6	60%	0.599	40%	0.395	S	S	*	.			trans	-112.8	146.8	179.1	-170.5	23.9	0	0	0	111.9	R695	D568-R695 WeakPolarHBondContact O-CD 3.33Å; D568-R695 PolarHBondContact O-NH1 2.67Å
569	H	92.7	Very high	90.8	Very high	58 Å²	58	61.1 Å²	61.1	27%	0.269	38%	0.379	S	S	.	.			trans	-117	92.2	-177.2	-74.1	-46.6	0	0	0	109.8	C563 H567 G571 H709 S711	C563-H569 PolarHBondContact SG-CE1 2.69Å; C563-H569 PolarHBondContact SG-NE2 3.27Å; C563-H569 VanDerWaalsContact SG-NE2 3.44Å; H567-H569 AromaticContact CD2-CE1 3.19Å; H567-H569 PolarHBondContact CD2-CE1 2.93Å; H567-H569 AromaticContact CD2-ND1 3.55Å; H567-H569 AromaticContact CD2-NE2 3.6Å; H567-H569 AromaticContact NE2-CE1 3.02Å; H567-H569 PolarHBondContact NE2-CE1 3.15Å; H567-H569 AromaticContact NE2-ND1 3.22Å; H567-H569 PolarHBondContact NE2-ND1 2.78Å; H567-H569 AromaticContact NE2-NE2 3.91Å; H569-G571 PolarHBondContact O-N 3.31Å; H569-H709 AromaticContact CD2-CE1 3.63Å; H569-H709 AromaticContact CE1-CE1 3.36Å; H569-H709 PolarHBondContact CE1-CE1 2.97Å; H569-H709 AromaticContact CE1-ND1 3.33Å; H569-H709 PolarHBondContact CE1-ND1 3Å; H569-H709 VanDerWaalsContact CE1-ND1 3.33Å; H569-H709 AromaticContact CG-CE1 3.54Å; H569-H709 AromaticContact ND1-CE1 3.37Å; H569-H709 PolarHBondContact ND1-CE1 2.92Å; H569-H709 AromaticContact ND1-ND1 3.59Å; H569-H709 AromaticContact NE2-CE1 3.54Å; H569-H709 AromaticContact NE2-ND1 3.83Å; H569-S711 WeakPolarHBondContact CA-OG 3.21Å
570	P	91.2	Very high	91.1	Very high	20 Å²	20	58.2 Å²	58.2	13%	0.13	36%	0.36	C	S	.	.			trans	-65.7	126.4	-171.6	24.9	-34.5	0	0	0	112.8	R695 S711 S712 Q713	P570-R695 HydrophobicContact CG-CB 3.8Å; P570-S711 WeakPolarHBondContact CD-OG 2.95Å; P570-S711 CarbonylContact O-C 3.6Å; P570-S711 VanDerWaalsContact O-C 3.28Å; P570-S712 CarbonylContact O-C 3.55Å; P570-S712 VanDerWaalsContact O-C 3.3Å; P570-S712 PolarHBondContact O-N 2.92Å; P570-S712 VanDerWaalsContact O-N 3.15Å; P570-Q713 HydrophobicContact CB-CB 4.28Å
571	G	92.8	Very high	91.3	Very high	51 Å²	51	54 Å²	54	53%	0.526	33%	0.333	S	S	.	.	S	Bend	trans	80	-129.8	170.5	0	0	0	0	0	114.8	H569 S712	H569-G571 PolarHBondContact O-N 3.31Å; G571-S712 WeakPolarHBondContact CA-O 3.44Å
572	R	94.9	Very high	91.4	Very high	111 Å²	111	53.2 Å²	53.2	42%	0.419	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	142.5	179.9	-66.8	-176.2	179	-156.9	-6.6	109.9	Y365 Y574 S711 S712 H733	Y365-R572 PolarHBondContact OH-NH1 3.26Å; Y365-R572 VanDerWaalsContact OH-NH1 3.14Å; R572-Y574 HydrophobicContact CB-CD2 4.43Å; R572-Y574 HydrophobicContact CB-CE2 3.83Å; R572-Y574 WeakPolarHBondContact O-CD2 3.33Å; R572-Y574 WeakPolarHBondContact O-CE2 3.32Å; R572-S711 CarbonylContact O-C 3.58Å; R572-S711 VanDerWaalsContact O-CA 3.25Å; R572-S711 WeakPolarHBondContact O-CA 3.42Å; R572-S712 PolarHBondContact N-O 2.94Å; R572-S712 PolarHBondContact O-N 2.92Å; R572-H733 PolarHBondContact NH1-CD2 2.96Å; R572-H733 PolarHBondContact NH1-NE2 3.21Å
573	V	96.6	Very high	91.5	Very high	77 Å²	77	48.4 Å²	48.4	47%	0.467	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	133.8	168	-178.6	0	0	0	0	108.9	A575 N576	V573-A575 WeakPolarHBondContact CG1-O 3.09Å; V573-N576 HydrophobicContact CG1-CB 4.14Å
574	Y	97	Very high	91.6	Very high	29 Å²	29	48 Å²	48	11%	0.114	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	-23	178.4	-72.6	-92.2	0	0	0	113.1	R572 V710 H733 L736 F740	R572-Y574 HydrophobicContact CB-CD2 4.43Å; R572-Y574 HydrophobicContact CB-CE2 3.83Å; R572-Y574 WeakPolarHBondContact O-CD2 3.33Å; R572-Y574 WeakPolarHBondContact O-CE2 3.32Å; Y574-V710 PolarHBondContact N-O 3.4Å; Y574-H733 AromaticContact CE1-CE1 3.9Å; Y574-H733 AromaticContact CE1-ND1 3.28Å; Y574-H733 VanDerWaalsContact CE1-ND1 3.28Å; Y574-H733 WeakPolarHBondContact CE1-ND1 3.13Å; Y574-H733 AromaticContact CZ-ND1 3.45Å; Y574-H733 WeakPolarHBondContact OH-CA 3.47Å; Y574-H733 PolarHBondContact OH-ND1 2.85Å; Y574-L736 HydrophobicContact CD1-CB 3.82Å; Y574-L736 HydrophobicContact CE1-CB 3.38Å; Y574-L736 HydrophobicContact CE1-CD1 4.45Å; Y574-L736 HydrophobicContact CE2-CB 4.34Å; Y574-L736 HydrophobicContact CE2-CD1 4.21Å; Y574-L736 HydrophobicContact CG-CB 4.44Å; Y574-F740 HydrophobicContact CD1-CD2 4.18Å; Y574-F740 HydrophobicContact CD2-CD2 4.44Å; Y574-F740 AromaticContact CG-CD2 3.77Å; Y574-F740 HydrophobicContact CG-CD2 3.77Å; Y574-F740 HydrophobicContact CG-CE2 4.33Å
575	A	96.3	Very high	92.2	Very high	5 Å²	5	47 Å²	47	4%	0.041	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	140	170.2	0	0	0	0	0	109.2	V573 H709 V710	V573-A575 WeakPolarHBondContact CG1-O 3.09Å; A575-H709 CarbonylContact O-C 3.39Å; A575-H709 VanDerWaalsContact O-CA 3.29Å; A575-H709 WeakPolarHBondContact O-CA 3.38Å; A575-V710 HydrophobicContact CB-CB 4.19Å; A575-V710 HydrophobicContact CB-CG2 4.15Å; A575-V710 PolarHBondContact N-O 2.71Å; A575-V710 PolarHBondContact O-N 3.24Å
576	N	96.3	Very high	93.1	Very high	94 Å²	94	40 Å²	40	50%	0.503	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	81.3	169.3	-178.2	14.6	0	0	0	107	V573 L708	V573-N576 HydrophobicContact CG1-CB 4.14Å; N576-L708 WeakPolarHBondContact CA-O 3.24Å
577	T	96.5	Very high	93.9	Very high	38 Å²	38	36.6 Å²	36.6	23%	0.233	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	137.8	-160.2	-57.1	0	0	0	0	111.9	L708 T744 K748	T577-L708 PolarHBondContact N-O 3.44Å; T577-L708 PolarHBondContact O-N 2.98Å; T577-T744 HydrophobicContact CG2-CG2 3.73Å; T577-K748 VanDerWaalsContact CG2-CE 3.43Å
578	D	96.5	Very high	94.1	Very high	64 Å²	64	37.1 Å²	37.1	34%	0.342	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	127.9	175.3	-63.9	-29.3	0	0	0	110.6	R707 K748	D578-R707 VanDerWaalsContact OD1-CB 3.3Å; D578-R707 WeakPolarHBondContact OD1-CB 3.49Å; D578-R707 IonicContact OD1-CZ 3.51Å; D578-R707 IonicContact OD1-NE 2.7Å; D578-R707 PolarHBondContact OD1-NE 2.92Å; D578-R707 IonicContact OD1-NH2 3.51Å; D578-R707 PolarHBondContact OD1-NH2 3.22Å; D578-R707 VanDerWaalsContact OD1-NH2 3.15Å; D578-R707 IonicContact OD2-CZ 2.73Å; D578-R707 IonicContact OD2-NE 3.66Å; D578-R707 IonicContact OD2-NH2 2.73Å; D578-R707 PolarHBondContact OD2-NH2 3.45Å; D578-K748 WeakPolarHBondContact O-CE 3.33Å
579	I	95.8	Very high	94.2	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	137.8	179.4	-52.7	-59.2	0	0	0	108.3	L581 L586 T705 S706 L708 T744 L747 K748	I579-L581 HydrophobicContact CG2-CB 4.26Å; I579-L581 HydrophobicContact CG2-CD1 4.02Å; I579-L581 HydrophobicContact CG2-CG 4Å; I579-L581 PolarHBondContact O-N 3.32Å; I579-L586 HydrophobicContact CB-CD1 4.33Å; I579-L586 HydrophobicContact CG1-CD1 4.23Å; I579-L586 HydrophobicContact CG2-CD1 4.09Å; I579-T705 VanDerWaalsContact O-CA 3.31Å; I579-T705 WeakPolarHBondContact O-CA 3.34Å; I579-S706 PolarHBondContact N-O 3.37Å; I579-S706 PolarHBondContact O-N 2.93Å; I579-L708 HydrophobicContact CG1-CB 3.88Å; I579-T744 HydrophobicContact CD1-CG2 4.17Å; I579-L747 HydrophobicContact CD1-CB 4.24Å; I579-L747 HydrophobicContact CG2-CB 4.02Å; I579-K748 HydrophobicContact CD1-CG 4.26Å
580	P	94.4	Very high	94.3	Very high	32 Å²	32	29.2 Å²	29.2	21%	0.208	16%	0.162	C	C	.	.	S	Bend	trans	-74.5	36.3	-179.2	-6.3	21.5	0	0	0	114.8	T704 A751 R759	P580-T704 CarbonylContact C-O 3.59Å; P580-T704 VanDerWaalsContact O-O 3.07Å; P580-A751 HydrophobicContact CB-CB 3.9Å; P580-A751 HydrophobicContact CG-CB 3.95Å; P580-R759 VanDerWaalsContact O-CZ 3.26Å; P580-R759 PolarHBondContact O-NE 2.92Å; P580-R759 PolarHBondContact O-NH2 3.34Å
581	L	93.2	Very high	94.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-120.9	150.1	178.4	-63.7	174.8	0	0	0	110.5	I579 A585 L586 C589 T704 T705 S706 L747 A751 L754 R759	I579-L581 HydrophobicContact CG2-CB 4.26Å; I579-L581 HydrophobicContact CG2-CD1 4.02Å; I579-L581 HydrophobicContact CG2-CG 4Å; I579-L581 PolarHBondContact O-N 3.32Å; L581-A585 HydrophobicContact CB-CB 4.24Å; L581-L586 HydrophobicContact CB-CB 4.3Å; L581-L586 HydrophobicContact CD1-CD1 4.35Å; L581-C589 HydrophobicContact CD1-CB 4.5Å; L581-C589 VanDerWaalsContact CD1-SG 3.55Å; L581-T704 PolarHBondContact N-O 3.43Å; L581-T705 CarbonylContact O-C 3.53Å; L581-T705 WeakPolarHBondContact O-CA 3.42Å; L581-S706 WeakPolarHBondContact O-CB 3.31Å; L581-S706 PolarHBondContact O-N 2.89Å; L581-S706 PolarHBondContact O-OG 2.85Å; L581-L747 HydrophobicContact CD1-CD2 4.31Å; L581-A751 HydrophobicContact CD1-CB 4.5Å; L581-A751 HydrophobicContact CD2-CB 3.68Å; L581-A751 HydrophobicContact CG-CB 3.8Å; L581-L754 HydrophobicContact CD2-CD1 3.98Å; L581-R759 HydrophobicContact CD2-CB 4.4Å; L581-R759 HydrophobicContact CD2-CG 4.19Å
582	N	93.1	Very high	94.2	Very high	18 Å²	18	26.3 Å²	26.3	10%	0.096	13%	0.134	C	C	.	.			trans	-59.4	149.5	162.9	-175.8	-85.8	0	0	0	110.4	N584 A585 L586 R703 R759 L760	N582-N584 PolarHBondContact O-N 3.24Å; N582-N584 VanDerWaalsContact O-N 3.15Å; N582-N584 WeakPolarHBondContact OD1-CB 3.4Å; N582-N584 PolarHBondContact OD1-N 3.07Å; N582-A585 HydrophobicContact CB-CB 4.26Å; N582-A585 CarbonylContact O-C 3.59Å; N582-A585 WeakPolarHBondContact O-CA 3.42Å; N582-A585 WeakPolarHBondContact O-CB 3.48Å; N582-A585 PolarHBondContact O-N 3.12Å; N582-L586 PolarHBondContact O-N 3.35Å; N582-R703 WeakPolarHBondContact CB-O 3.45Å; N582-R703 PolarHBondContact ND2-O 3.23Å; N582-R759 VanDerWaalsContact CB-O 3.3Å; N582-R759 WeakPolarHBondContact CB-O 2.76Å; N582-R759 PolarHBondContact N-O 2.81Å; N582-L760 WeakPolarHBondContact CB-O 3.45Å
583	V	93.9	Very high	93.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.1	-30.3	-179.1	73	0	0	0	0	113.4	F587 G670 Y673 L698	V583-F587 WeakPolarHBondContact O-CB 3.17Å; V583-F587 PolarHBondContact O-N 3.13Å; V583-G670 VanDerWaalsContact CG1-C 3.48Å; V583-G670 VanDerWaalsContact CG1-O 3.24Å; V583-G670 WeakPolarHBondContact CG1-O 3.41Å; V583-Y673 HydrophobicContact CG1-CE2 4.46Å; V583-Y673 HydrophobicContact CG2-CD2 4.06Å; V583-Y673 HydrophobicContact CG2-CE2 4.32Å; V583-L698 HydrophobicContact CG2-CB 3.94Å
584	N	92	Very high	93.5	Very high	21 Å²	21	20.8 Å²	20.8	11%	0.112	11%	0.11	C	C	.	.	H	α-helix	trans	-73.6	-39.1	173.2	-66.6	-30.1	0	0	0	112.6	N582 F587 R588 G670 Y673	N582-N584 PolarHBondContact O-N 3.24Å; N582-N584 VanDerWaalsContact O-N 3.15Å; N582-N584 WeakPolarHBondContact OD1-CB 3.4Å; N582-N584 PolarHBondContact OD1-N 3.07Å; N584-F587 PolarHBondContact O-N 2.92Å; N584-R588 WeakPolarHBondContact O-CG 3.36Å; N584-R588 PolarHBondContact O-N 3.17Å; N584-G670 WeakPolarHBondContact OD1-CA 3.46Å; N584-Y673 WeakPolarHBondContact OD1-CE2 3.35Å; N584-Y673 PolarHBondContact OD1-OH 2.97Å
585	A	92	Very high	93.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-68	-40.1	175.4	0	0	0	0	0	110.9	L581 N582 R588 C589	L581-A585 HydrophobicContact CB-CB 4.24Å; N582-A585 HydrophobicContact CB-CB 4.26Å; N582-A585 CarbonylContact O-C 3.59Å; N582-A585 WeakPolarHBondContact O-CA 3.42Å; N582-A585 WeakPolarHBondContact O-CB 3.48Å; N582-A585 PolarHBondContact O-N 3.12Å; A585-R588 PolarHBondContact O-N 2.97Å; A585-C589 PolarHBondContact O-N 2.99Å; A585-C589 PolarHBondContact O-SG 2.72Å; A585-C589 VanDerWaalsContact O-SG 3.37Å
586	L	95	Very high	92.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.7	-42.8	172.5	-177.1	64.5	0	0	0	112.1	I579 L581 N582 C589 I590 L698 S706 L708 L747	I579-L586 HydrophobicContact CB-CD1 4.33Å; I579-L586 HydrophobicContact CG1-CD1 4.23Å; I579-L586 HydrophobicContact CG2-CD1 4.09Å; L581-L586 HydrophobicContact CB-CB 4.3Å; L581-L586 HydrophobicContact CD1-CD1 4.35Å; N582-L586 PolarHBondContact O-N 3.35Å; L586-C589 PolarHBondContact O-N 2.92Å; L586-I590 HydrophobicContact CD1-CD1 3.73Å; L586-I590 HydrophobicContact CD1-CG1 4.38Å; L586-I590 HydrophobicContact CG-CD1 4.17Å; L586-I590 PolarHBondContact O-N 3.42Å; L586-L698 HydrophobicContact CB-CD2 4.43Å; L586-L698 HydrophobicContact CD2-CB 4.25Å; L586-L698 HydrophobicContact CD2-CD2 4.19Å; L586-L698 HydrophobicContact CD2-CG 4.08Å; L586-L698 HydrophobicContact CG-CD2 3.97Å; L586-L698 HydrophobicContact CG-CG 4.37Å; L586-S706 WeakPolarHBondContact CD2-OG 3.37Å; L586-L708 HydrophobicContact CD2-CB 4.25Å; L586-L747 HydrophobicContact CD1-CD1 4Å; L586-L747 HydrophobicContact CD1-CD2 4.11Å
587	F	93.9	Very high	92.7	Very high	10 Å²	10	18.1 Å²	18.1	4%	0.044	9%	0.094	C	C	.	.	H	α-helix	trans	-58.9	-46.5	172.8	179.5	-80.5	0	0	0	110.9	V583 N584 I590 F591 Y673 I675 L698 I775	V583-F587 WeakPolarHBondContact O-CB 3.17Å; V583-F587 PolarHBondContact O-N 3.13Å; N584-F587 PolarHBondContact O-N 2.92Å; F587-I590 PolarHBondContact O-N 2.95Å; F587-F591 HydrophobicContact CD1-CB 4.41Å; F587-F591 HydrophobicContact CD2-CB 4.38Å; F587-F591 HydrophobicContact CD2-CD2 4.34Å; F587-F591 HydrophobicContact CE1-CB 4.21Å; F587-F591 HydrophobicContact CE2-CB 4.21Å; F587-F591 HydrophobicContact CG-CB 4.48Å; F587-F591 HydrophobicContact CZ-CB 4.11Å; F587-F591 WeakPolarHBondContact O-CA 3.41Å; F587-F591 WeakPolarHBondContact O-CB 3.35Å; F587-F591 PolarHBondContact O-N 3.11Å; F587-Y673 HydrophobicContact CB-CD2 3.96Å; F587-Y673 HydrophobicContact CB-CE2 4.07Å; F587-Y673 HydrophobicContact CD2-CD1 4.14Å; F587-Y673 AromaticContact CD2-CD2 3.8Å; F587-Y673 HydrophobicContact CD2-CD2 3.8Å; F587-Y673 HydrophobicContact CD2-CE2 4.3Å; F587-Y673 AromaticContact CD2-CG 3.71Å; F587-Y673 HydrophobicContact CD2-CG 3.71Å; F587-Y673 HydrophobicContact CE2-CD1 4.35Å; F587-Y673 HydrophobicContact CE2-CG 4.3Å; F587-Y673 HydrophobicContact CG-CD2 4.2Å; F587-Y673 HydrophobicContact CG-CE2 4.36Å; F587-I675 HydrophobicContact CD2-CD1 4.08Å; F587-I675 HydrophobicContact CE2-CD1 3.74Å; F587-L698 HydrophobicContact CB-CD2 3.94Å; F587-L698 HydrophobicContact CD2-CD2 4.48Å; F587-I775 HydrophobicContact CE1-CG2 4.43Å; F587-I775 HydrophobicContact CZ-CG2 4.31Å
588	R	91.2	Very high	92.5	Very high	39 Å²	39	19.9 Å²	19.9	15%	0.147	11%	0.109	C	C	.	.	H	α-helix	trans	-62.8	-40.9	176.6	-72.4	169.8	172.2	-156	-15.5	112.4	N584 A585 I590 T592 S594 T761 T776	N584-R588 WeakPolarHBondContact O-CG 3.36Å; N584-R588 PolarHBondContact O-N 3.17Å; A585-R588 PolarHBondContact O-N 2.97Å; R588-I590 PolarHBondContact O-N 3.46Å; R588-T592 PolarHBondContact O-OG1 2.84Å; R588-S594 WeakPolarHBondContact O-CB 3.42Å; R588-T761 PolarHBondContact NH1-O 3.31Å; R588-T776 PolarHBondContact NE-OG1 3.47Å; R588-T776 PolarHBondContact NH2-OG1 3.38Å
589	C	92.4	Very high	92.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-56.7	-48.3	175.4	-75	0	0	0	0	112.6	L581 A585 L586 S594 F596 L747	L581-C589 HydrophobicContact CD1-CB 4.5Å; L581-C589 VanDerWaalsContact CD1-SG 3.55Å; A585-C589 PolarHBondContact O-N 2.99Å; A585-C589 PolarHBondContact O-SG 2.72Å; A585-C589 VanDerWaalsContact O-SG 3.37Å; L586-C589 PolarHBondContact O-N 2.92Å; C589-S594 PolarHBondContact O-OG 3.33Å; C589-F596 HydrophobicContact CB-CD1 3.95Å; C589-F596 HydrophobicContact CB-CG 4.42Å; C589-L747 HydrophobicContact CB-CD2 3.76Å
590	I	94.2	Very high	92.2	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.021	12%	0.117	C	C	.	.	H	α-helix	trans	-95.3	-31.9	-168.9	-54	170.4	0	0	0	112.6	L586 F587 R588 L708 I743 L747	L586-I590 HydrophobicContact CD1-CD1 3.73Å; L586-I590 HydrophobicContact CD1-CG1 4.38Å; L586-I590 HydrophobicContact CG-CD1 4.17Å; L586-I590 PolarHBondContact O-N 3.42Å; F587-I590 PolarHBondContact O-N 2.95Å; R588-I590 PolarHBondContact O-N 3.46Å; I590-L708 HydrophobicContact CD1-CD1 4.06Å; I590-L708 HydrophobicContact CD1-CD2 4.14Å; I590-I743 HydrophobicContact CG1-CD1 4.48Å; I590-I743 HydrophobicContact CG2-CD1 4.45Å; I590-L747 HydrophobicContact CD1-CD1 3.88Å; I590-L747 HydrophobicContact CG1-CD1 4.22Å; I590-L747 HydrophobicContact CG1-CD2 4.33Å
591	F	93.7	Very high	92	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-115.2	17.9	-166.2	-61.6	-80.2	0	0	0	114.9	F587 W614 R637 I675 Y696 L698	F587-F591 HydrophobicContact CD1-CB 4.41Å; F587-F591 HydrophobicContact CD2-CB 4.38Å; F587-F591 HydrophobicContact CD2-CD2 4.34Å; F587-F591 HydrophobicContact CE1-CB 4.21Å; F587-F591 HydrophobicContact CE2-CB 4.21Å; F587-F591 HydrophobicContact CG-CB 4.48Å; F587-F591 HydrophobicContact CZ-CB 4.11Å; F587-F591 WeakPolarHBondContact O-CA 3.41Å; F587-F591 WeakPolarHBondContact O-CB 3.35Å; F587-F591 PolarHBondContact O-N 3.11Å; F591-W614 HydrophobicContact CB-CZ2 4.19Å; F591-W614 HydrophobicContact CD1-CZ2 4.16Å; F591-W614 PolarHBondContact O-NE1 2.94Å; F591-R637 PolarHBondContact O-NH1 2.94Å; F591-R637 PolarHBondContact O-NH2 3.38Å; F591-I675 HydrophobicContact CB-CD1 4.42Å; F591-I675 HydrophobicContact CD1-CD1 3.53Å; F591-I675 HydrophobicContact CD1-CG2 4.25Å; F591-I675 HydrophobicContact CD2-CD1 3.68Å; F591-I675 HydrophobicContact CE1-CB 4.2Å; F591-I675 HydrophobicContact CE1-CD1 3.62Å; F591-I675 HydrophobicContact CE1-CG2 3.84Å; F591-I675 HydrophobicContact CE2-CD1 3.79Å; F591-I675 HydrophobicContact CG-CD1 3.57Å; F591-I675 HydrophobicContact CZ-CB 4.43Å; F591-I675 HydrophobicContact CZ-CD1 3.76Å; F591-Y696 HydrophobicContact CE1-CD2 4.41Å; F591-Y696 HydrophobicContact CE1-CG 4.45Å; F591-Y696 AromaticContact CZ-CD1 3.78Å; F591-Y696 HydrophobicContact CZ-CD1 3.78Å; F591-Y696 HydrophobicContact CZ-CD2 4.07Å; F591-Y696 HydrophobicContact CZ-CE1 4.25Å; F591-Y696 AromaticContact CZ-CG 3.67Å; F591-Y696 HydrophobicContact CZ-CG 3.67Å; F591-L698 HydrophobicContact CD2-CD2 4.17Å; F591-L698 HydrophobicContact CE2-CD1 3.83Å; F591-L698 HydrophobicContact CE2-CD2 4.02Å; F591-L698 HydrophobicContact CE2-CG 4.49Å; F591-L698 HydrophobicContact CZ-CD1 4.46Å
592	T	89.8	Confident	91.9	Very high	9 Å²	9	29.4 Å²	29.4	6%	0.055	14%	0.143	C	C	.	.	S	Bend	trans	-133	179.3	165.4	71.3	0	0	0	0	111.4	R588 S594	R588-T592 PolarHBondContact O-OG1 2.84Å; T592-S594 PolarHBondContact O-N 3.38Å
593	D	87.4	Confident	91.9	Very high	72 Å²	72	34.1 Å²	34.1	39%	0.385	17%	0.165	S	C	.	.	S	Bend	trans	-71	53.6	167.8	55	-24.7	0	0	0	112.1
594	S	89.2	Confident	91.7	Very high	1 Å²	1	37 Å²	37	1%	0.007	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-77.6	152.7	-178	77.9	0	0	0	0	112.8	R588 C589 T592 F596 F597 S598 L765	R588-S594 WeakPolarHBondContact O-CB 3.42Å; C589-S594 PolarHBondContact O-OG 3.33Å; T592-S594 PolarHBondContact O-N 3.38Å; S594-F596 PolarHBondContact O-N 3.39Å; S594-F597 PolarHBondContact O-N 3.35Å; S594-F597 VanDerWaalsContact O-N 3.12Å; S594-F597 WeakPolarHBondContact OG-CB 3.18Å; S594-F597 PolarHBondContact OG-N 3.45Å; S594-S598 PolarHBondContact O-N 3.46Å; S594-L765 WeakPolarHBondContact CA-O 3.33Å; S594-L765 WeakPolarHBondContact CB-O 3.34Å
595	E	88.1	Confident	91.7	Very high	49 Å²	49	37.3 Å²	37.3	23%	0.229	18%	0.184	C	C	.	.	H	α-helix	trans	-58.4	-37.2	173.9	-163.9	-165.1	-147.4	0	0	111.2	S598 R599 L765	E595-S598 PolarHBondContact O-N 3.19Å; E595-R599 VanDerWaalsContact CD-NH2 3.3Å; E595-R599 PolarHBondContact O-N 3.44Å; E595-R599 IonicContact OE1-CZ 3.61Å; E595-R599 VanDerWaalsContact OE1-CZ 3.24Å; E595-R599 IonicContact OE1-NH1 3.43Å; E595-R599 PolarHBondContact OE1-NH1 3.02Å; E595-R599 IonicContact OE1-NH2 2.75Å; E595-R599 PolarHBondContact OE1-NH2 3.27Å; E595-R599 IonicContact OE2-CZ 3.22Å; E595-R599 IonicContact OE2-NH1 2.72Å; E595-R599 PolarHBondContact OE2-NH1 3.26Å; E595-R599 IonicContact OE2-NH2 2.85Å; E595-L765 PolarHBondContact N-O 3.43Å
596	F	92.5	Very high	91.7	Very high	8 Å²	8	38.2 Å²	38.2	4%	0.035	19%	0.19	C	C	.	.	H	α-helix	trans	-57.6	-52.3	172.2	172.6	-95.4	0	0	0	112	C589 S594 S598 R599 F600 I743 K746 L747 F750	C589-F596 HydrophobicContact CB-CD1 3.95Å; C589-F596 HydrophobicContact CB-CG 4.42Å; S594-F596 PolarHBondContact O-N 3.39Å; F596-S598 VanDerWaalsContact C-N 3.3Å; F596-S598 PolarHBondContact O-N 3.11Å; F596-R599 PolarHBondContact O-N 2.88Å; F596-F600 HydrophobicContact CE1-CB 4.31Å; F596-F600 HydrophobicContact CZ-CB 4.27Å; F596-F600 VanDerWaalsContact O-CB 3.25Å; F596-F600 WeakPolarHBondContact O-CB 3.32Å; F596-F600 PolarHBondContact O-N 3.02Å; F596-I743 HydrophobicContact CE1-CG1 4.2Å; F596-I743 HydrophobicContact CZ-CG1 4.21Å; F596-K746 HydrophobicContact CE2-CB 3.96Å; F596-K746 WeakPolarHBondContact CE2-O 3.41Å; F596-K746 HydrophobicContact CZ-CB 4.15Å; F596-L747 HydrophobicContact CD1-CD2 4.06Å; F596-L747 HydrophobicContact CE1-CD2 3.52Å; F596-L747 HydrophobicContact CE1-CG 3.9Å; F596-L747 HydrophobicContact CE2-CD2 4.16Å; F596-L747 HydrophobicContact CE2-CG 4.31Å; F596-L747 HydrophobicContact CZ-CB 4.39Å; F596-L747 HydrophobicContact CZ-CD2 3.59Å; F596-L747 HydrophobicContact CZ-CG 3.59Å; F596-F750 HydrophobicContact CB-CD1 4.06Å; F596-F750 HydrophobicContact CB-CE1 3.82Å; F596-F750 HydrophobicContact CB-CE2 4.49Å; F596-F750 HydrophobicContact CB-CG 4.49Å; F596-F750 HydrophobicContact CB-CZ 4.06Å; F596-F750 HydrophobicContact CD2-CB 3.75Å; F596-F750 AromaticContact CD2-CD1 3.7Å; F596-F750 HydrophobicContact CD2-CD1 3.7Å; F596-F750 HydrophobicContact CD2-CD2 4.14Å; F596-F750 HydrophobicContact CD2-CE1 4.33Å; F596-F750 AromaticContact CD2-CG 3.6Å; F596-F750 HydrophobicContact CD2-CG 3.6Å; F596-F750 HydrophobicContact CE2-CB 4Å; F596-F750 HydrophobicContact CE2-CG 4.34Å; F596-F750 HydrophobicContact CG-CD1 4.11Å; F596-F750 HydrophobicContact CG-CE1 4.36Å; F596-F750 HydrophobicContact CG-CG 4.4Å
597	F	92	Very high	91.6	Very high	14 Å²	14	43.4 Å²	43.4	6%	0.061	21%	0.212	C	C	.	.	H	α-helix	trans	-66	-34.9	-176.6	-164.5	-100.6	0	0	0	111.9	S594 S601 M609	S594-F597 PolarHBondContact O-N 3.35Å; S594-F597 VanDerWaalsContact O-N 3.12Å; S594-F597 WeakPolarHBondContact OG-CB 3.18Å; S594-F597 PolarHBondContact OG-N 3.45Å; F597-S601 WeakPolarHBondContact O-CB 3.49Å; F597-S601 PolarHBondContact O-N 2.8Å; F597-S601 PolarHBondContact O-OG 3.37Å; F597-M609 HydrophobicContact CE1-CE 3.79Å; F597-M609 HydrophobicContact CE1-SD 4.19Å; F597-M609 HydrophobicContact CZ-CE 4.46Å
598	S	91.2	Very high	91.4	Very high	76 Å²	76	45.3 Å²	45.3	53%	0.531	24%	0.235	S	C	.	.	H	α-helix	trans	-61.9	-55.7	173.1	-166.4	0	0	0	0	111.4	S594 E595 F596 F600 S601 E602	S594-S598 PolarHBondContact O-N 3.46Å; E595-S598 PolarHBondContact O-N 3.19Å; F596-S598 VanDerWaalsContact C-N 3.3Å; F596-S598 PolarHBondContact O-N 3.11Å; S598-F600 VanDerWaalsContact C-N 3.32Å; S598-F600 PolarHBondContact O-N 3.47Å; S598-S601 PolarHBondContact O-N 3.37Å; S598-S601 VanDerWaalsContact O-N 3.17Å; S598-E602 PolarHBondContact O-N 3Å
599	R	92	Very high	91.5	Very high	133 Å²	133	46.3 Å²	46.3	50%	0.502	24%	0.242	S	C	.	.	H	α-helix	trans	-60.4	-38.3	177.7	-74.7	-172.2	178.1	119.8	12.2	112.8	E595 F596 H603	E595-R599 VanDerWaalsContact CD-NH2 3.3Å; E595-R599 PolarHBondContact O-N 3.44Å; E595-R599 IonicContact OE1-CZ 3.61Å; E595-R599 VanDerWaalsContact OE1-CZ 3.24Å; E595-R599 IonicContact OE1-NH1 3.43Å; E595-R599 PolarHBondContact OE1-NH1 3.02Å; E595-R599 IonicContact OE1-NH2 2.75Å; E595-R599 PolarHBondContact OE1-NH2 3.27Å; E595-R599 IonicContact OE2-CZ 3.22Å; E595-R599 IonicContact OE2-NH1 2.72Å; E595-R599 PolarHBondContact OE2-NH1 3.26Å; E595-R599 IonicContact OE2-NH2 2.85Å; F596-R599 PolarHBondContact O-N 2.88Å; R599-H603 WeakPolarHBondContact O-CB 3.1Å; R599-H603 PolarHBondContact O-N 2.88Å
600	F	93.8	Very high	91.6	Very high	7 Å²	7	52 Å²	52	3%	0.031	27%	0.271	C	S	.	.	H	α-helix	trans	-65.2	-41.9	176.2	168.9	-104	0	0	0	112.2	F596 S598 R604 F739 T742 I743	F596-F600 HydrophobicContact CE1-CB 4.31Å; F596-F600 HydrophobicContact CZ-CB 4.27Å; F596-F600 VanDerWaalsContact O-CB 3.25Å; F596-F600 WeakPolarHBondContact O-CB 3.32Å; F596-F600 PolarHBondContact O-N 3.02Å; S598-F600 VanDerWaalsContact C-N 3.32Å; S598-F600 PolarHBondContact O-N 3.47Å; F600-R604 VanDerWaalsContact CE2-CD 3.48Å; F600-R604 HydrophobicContact CE2-CG 4.17Å; F600-R604 HydrophobicContact CZ-CG 4.39Å; F600-R604 PolarHBondContact O-N 3.31Å; F600-R604 VanDerWaalsContact O-N 3.13Å; F600-F739 HydrophobicContact CE1-CD2 4.37Å; F600-F739 AromaticContact CE1-CE2 3.59Å; F600-F739 HydrophobicContact CE1-CE2 3.59Å; F600-F739 AromaticContact CE1-CZ 3.83Å; F600-F739 HydrophobicContact CE1-CZ 3.83Å; F600-F739 HydrophobicContact CZ-CD2 4.02Å; F600-F739 AromaticContact CZ-CE2 3.68Å; F600-F739 HydrophobicContact CZ-CE2 3.68Å; F600-F739 HydrophobicContact CZ-CZ 4.03Å; F600-T742 HydrophobicContact CD2-CG2 4.42Å; F600-T742 HydrophobicContact CE2-CG2 3.89Å; F600-I743 HydrophobicContact CD1-CD1 4.24Å; F600-I743 HydrophobicContact CD1-CG1 4.28Å; F600-I743 HydrophobicContact CD2-CB 4.35Å; F600-I743 HydrophobicContact CD2-CG1 4.11Å; F600-I743 HydrophobicContact CE1-CB 4.27Å; F600-I743 HydrophobicContact CE1-CD1 3.79Å; F600-I743 HydrophobicContact CE1-CG1 3.93Å; F600-I743 HydrophobicContact CE2-CB 3.56Å; F600-I743 HydrophobicContact CE2-CG1 3.76Å; F600-I743 HydrophobicContact CG-CG1 4.36Å; F600-I743 HydrophobicContact CZ-CB 3.52Å; F600-I743 HydrophobicContact CZ-CD1 3.94Å; F600-I743 HydrophobicContact CZ-CG1 3.66Å
601	S	92.2	Very high	91.5	Very high	10 Å²	10	54 Å²	54	7%	0.07	28%	0.28	C	S	.	.	H	α-helix	trans	-64	-47.5	176.4	-60	0	0	0	0	111.3	F597 S598 R604 G605 T606	F597-S601 WeakPolarHBondContact O-CB 3.49Å; F597-S601 PolarHBondContact O-N 2.8Å; F597-S601 PolarHBondContact O-OG 3.37Å; S598-S601 PolarHBondContact O-N 3.37Å; S598-S601 VanDerWaalsContact O-N 3.17Å; S601-R604 CarbonylContact O-C 3.46Å; S601-R604 PolarHBondContact O-N 2.91Å; S601-G605 PolarHBondContact O-N 3.13Å; S601-T606 WeakPolarHBondContact O-CB 3.49Å; S601-T606 PolarHBondContact O-N 2.9Å
602	E	90.9	Very high	91.4	Very high	146 Å²	146	56 Å²	56	68%	0.682	30%	0.295	S	S	*	.	H	α-helix	trans	-59.7	-47.7	176.3	-178	175.6	-149.6	0	0	111.7	S598 R604 G605	S598-E602 PolarHBondContact O-N 3Å; E602-R604 PolarHBondContact O-N 2.89Å; E602-G605 PolarHBondContact O-N 3.23Å
603	H	91.5	Very high	91.4	Very high	118 Å²	118	60.9 Å²	60.9	55%	0.546	33%	0.326	S	S	.	.	H	α-helix	trans	-57.9	-33.6	176.8	177	61.5	0	0	0	113.2	R599 G605	R599-H603 WeakPolarHBondContact O-CB 3.1Å; R599-H603 PolarHBondContact O-N 2.88Å; H603-G605 VanDerWaalsContact C-N 3.3Å
604	R	91.5	Very high	91.4	Very high	59 Å²	59	58.8 Å²	58.8	22%	0.223	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	7.9	174.7	-70.5	-169.3	60.1	75.6	2.3	114.1	F600 S601 E602 T606 D738 T742	F600-R604 VanDerWaalsContact CE2-CD 3.48Å; F600-R604 HydrophobicContact CE2-CG 4.17Å; F600-R604 HydrophobicContact CZ-CG 4.39Å; F600-R604 PolarHBondContact O-N 3.31Å; F600-R604 VanDerWaalsContact O-N 3.13Å; S601-R604 CarbonylContact O-C 3.46Å; S601-R604 PolarHBondContact O-N 2.91Å; E602-R604 PolarHBondContact O-N 2.89Å; R604-T606 VanDerWaalsContact C-N 3.27Å; R604-T606 PolarHBondContact O-N 2.81Å; R604-D738 IonicContact CZ-OD2 2.68Å; R604-D738 PolarHBondContact NH1-O 3.32Å; R604-D738 IonicContact NH1-OD2 2.66Å; R604-D738 PolarHBondContact NH1-OD2 3.04Å; R604-D738 IonicContact NH2-OD2 3.72Å; R604-D738 PolarHBondContact NH2-OD2 2.9Å; R604-T742 HydrophobicContact CG-CG2 4.29Å; R604-T742 PolarHBondContact NH1-OG1 3.23Å
605	G	90.8	Very high	91.3	Very high	29 Å²	29	61.4 Å²	61.4	30%	0.299	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	35.6	-177.6	0	0	0	0	0	112.8	S601 E602 H603 T644	S601-G605 PolarHBondContact O-N 3.13Å; E602-G605 PolarHBondContact O-N 3.23Å; H603-G605 VanDerWaalsContact C-N 3.3Å; G605-T644 WeakPolarHBondContact O-CG2 3.29Å; G605-T644 PolarHBondContact O-OG1 3.41Å
606	T	92.7	Very high	90.6	Very high	19 Å²	19	64.2 Å²	64.2	12%	0.117	35%	0.35	C	S	.	.			trans	-102.4	124.1	176.9	-57.4	0	0	0	0	109.2	S601 R604 M609 Y641 T642 L643	S601-T606 WeakPolarHBondContact O-CB 3.49Å; S601-T606 PolarHBondContact O-N 2.9Å; R604-T606 VanDerWaalsContact C-N 3.27Å; R604-T606 PolarHBondContact O-N 2.81Å; T606-M609 HydrophobicContact CG2-CE 4.15Å; T606-Y641 HydrophobicContact CG2-CD2 3.83Å; T606-Y641 HydrophobicContact CG2-CG 4.02Å; T606-T642 WeakPolarHBondContact CA-O 3.4Å; T606-L643 HydrophobicContact CG2-CD2 4Å
607	F	92.4	Very high	89.8	Confident	108 Å²	108	65.8 Å²	65.8	47%	0.474	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	171.6	-171.1	64.6	-89.4	0	0	0	112.1	M609 T642 T644 T653	F607-M609 VanDerWaalsContact C-N 3.29Å; F607-M609 PolarHBondContact O-N 3.03Å; F607-T642 HydrophobicContact CE1-CG2 3.91Å; F607-T642 HydrophobicContact CE2-CG2 3.83Å; F607-T642 HydrophobicContact CZ-CG2 3.43Å; F607-T642 VanDerWaalsContact CZ-CG2 3.43Å; F607-T642 PolarHBondContact N-O 2.99Å; F607-T642 PolarHBondContact O-N 2.87Å; F607-T644 HydrophobicContact CE1-CG2 4.02Å; F607-T653 HydrophobicContact CE1-CG2 4.15Å; F607-T653 HydrophobicContact CZ-CG2 4.03Å
608	G	90.8	Very high	88.8	Confident	50 Å²	50	73.8 Å²	73.8	52%	0.515	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	65.3	32.5	-176.9	0	0	0	0	0	113.3	I610	G608-I610 PolarHBondContact O-N 3.5Å
609	M	92.9	Very high	87.7	Confident	60 Å²	60	73.4 Å²	73.4	30%	0.296	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	120.5	-177.7	-176.9	65.3	69.4	0	0	111.4	F597 T606 F607 Q611 I639 T640 Y641	F597-M609 HydrophobicContact CE1-CE 3.79Å; F597-M609 HydrophobicContact CE1-SD 4.19Å; F597-M609 HydrophobicContact CZ-CE 4.46Å; T606-M609 HydrophobicContact CG2-CE 4.15Å; F607-M609 VanDerWaalsContact C-N 3.29Å; F607-M609 PolarHBondContact O-N 3.03Å; M609-Q611 HydrophobicContact CG-CG 4.3Å; M609-Q611 HydrophobicContact SD-CG 4.21Å; M609-I639 HydrophobicContact SD-CG2 3.52Å; M609-I639 VanDerWaalsContact SD-CG2 3.52Å; M609-T640 CarbonylContact C-O 3.44Å; M609-T640 WeakPolarHBondContact CA-O 3.34Å; M609-Y641 HydrophobicContact CE-CD1 3.87Å; M609-Y641 HydrophobicContact CE-CG 4.01Å; M609-Y641 HydrophobicContact SD-CD1 3.92Å; M609-Y641 HydrophobicContact SD-CG 4.39Å
610	I	93	Very high	86	Confident	119 Å²	119	68.7 Å²	68.7	61%	0.61	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.1	109.1	174.7	-57.6	175.2	0	0	0	107.3	G608 I639 T640	G608-I610 PolarHBondContact O-N 3.5Å; I610-I639 CarbonylContact O-C 3Å; I610-I639 VanDerWaalsContact O-CA 3.32Å; I610-I639 WeakPolarHBondContact O-CA 3.19Å; I610-T640 PolarHBondContact N-O 3.38Å; I610-T640 PolarHBondContact O-N 3.34Å
611	Q	92.3	Very high	84.1	Confident	47 Å²	47	70.2 Å²	70.2	22%	0.22	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127.2	174.4	-60.8	-172.3	49.4	0	0	109.6	M609 I639	M609-Q611 HydrophobicContact CG-CG 4.3Å; M609-Q611 HydrophobicContact SD-CG 4.21Å; Q611-I639 HydrophobicContact CB-CG1 4.45Å; Q611-I639 HydrophobicContact CG-CD1 4.37Å; Q611-I639 HydrophobicContact CG-CG1 4.23Å; Q611-I639 HydrophobicContact CG-CG2 3.83Å
612	S	92.3	Very high	82.1	Confident	43 Å²	43	75.2 Å²	75.2	30%	0.301	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-71.3	147.1	161.5	86.7	0	0	0	0	109.4	R637 T638	S612-R637 WeakPolarHBondContact OG-CB 3.18Å; S612-T638 WeakPolarHBondContact CB-O 3.24Å; S612-T638 PolarHBondContact N-O 3.01Å; S612-T638 PolarHBondContact OG-N 3.14Å; S612-T638 PolarHBondContact OG-O 3.33Å
613	P	89.6	Confident	80	Confident	111 Å²	111	72.7 Å²	72.7	72%	0.721	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-61.1	154.7	168.5	28.2	-34.8	0	0	0	110
614	W	88.2	Confident	77.9	Confident	27 Å²	27	71.9 Å²	71.9	10%	0.102	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-67.3	143.5	165.1	-70.8	102.6	0	0	0	110.1	F591 I635 R637 Q660 L662 I675 I775	F591-W614 HydrophobicContact CB-CZ2 4.19Å; F591-W614 HydrophobicContact CD1-CZ2 4.16Å; F591-W614 PolarHBondContact O-NE1 2.94Å; W614-I635 HydrophobicContact CE3-CG2 4.05Å; W614-I635 HydrophobicContact CZ3-CG2 4.38Å; W614-R637 HydrophobicContact CD2-CB 4.25Å; W614-R637 HydrophobicContact CD2-CG 3.83Å; W614-R637 VanDerWaalsContact CE2-CD 3.43Å; W614-R637 VanDerWaalsContact CE2-NE 3.29Å; W614-R637 HydrophobicContact CE3-CB 4.04Å; W614-R637 HydrophobicContact CE3-CG 3.79Å; W614-R637 HydrophobicContact CG-CG 4.49Å; W614-R637 HydrophobicContact CH2-CG 4.03Å; W614-R637 HydrophobicContact CZ2-CG 4.06Å; W614-R637 HydrophobicContact CZ3-CB 4.44Å; W614-R637 HydrophobicContact CZ3-CG 3.89Å; W614-Q660 HydrophobicContact CH2-CB 3.85Å; W614-Q660 HydrophobicContact CZ2-CB 4.41Å; W614-L662 HydrophobicContact CH2-CB 4.28Å; W614-L662 HydrophobicContact CZ3-CB 3.97Å; W614-I675 HydrophobicContact CH2-CG2 4.1Å; W614-I775 HydrophobicContact CB-CD1 3.28Å; W614-I775 HydrophobicContact CG-CD1 3.79Å
615	P	85.9	Confident	75.7	Confident	56 Å²	56	71.5 Å²	71.5	36%	0.364	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-65.9	151	172.5	27.6	-33.2	0	0	0	111.1	F617 I635 E636	P615-F617 PolarHBondContact O-N 2.86Å; P615-I635 HydrophobicContact CG-CG2 3.96Å; P615-E636 WeakPolarHBondContact CD-O 3.48Å
616	V	75	Confident	73.5	Confident	108 Å²	108	76.7 Å²	76.7	66%	0.655	43%	0.431	S	S	*	.			trans	-68.7	115.1	-178.8	176.6	0	0	0	0	110	N774	V616-N774 HydrophobicContact CG1-CB 4.19Å; V616-N774 HydrophobicContact CG2-CB 4.26Å; V616-N774 WeakPolarHBondContact CG2-ND2 3.42Å
617	F	74.2	Confident	71	Confident	41 Å²	41	82.7 Å²	82.7	18%	0.18	46%	0.462	C	S	.	.			trans	-122.6	130.7	179.7	175.8	-112.5	0	0	0	111.3	P615 W619 I635 P664 N774	P615-F617 PolarHBondContact O-N 2.86Å; F617-W619 HydrophobicContact CD1-CD2 4.25Å; F617-W619 HydrophobicContact CD1-CG 4.5Å; F617-W619 AromaticContact CE1-CD2 3.82Å; F617-W619 HydrophobicContact CE1-CD2 3.82Å; F617-W619 AromaticContact CE1-CE3 3.78Å; F617-W619 HydrophobicContact CE1-CE3 3.78Å; F617-W619 HydrophobicContact CE1-CG 4.2Å; F617-W619 HydrophobicContact CE1-CZ3 4.21Å; F617-I635 HydrophobicContact CB-CD1 3.8Å; F617-I635 HydrophobicContact CB-CG1 4.43Å; F617-I635 HydrophobicContact CD1-CD1 3.51Å; F617-I635 HydrophobicContact CD2-CD1 3.47Å; F617-I635 VanDerWaalsContact CD2-CD1 3.47Å; F617-I635 HydrophobicContact CD2-CG1 4.13Å; F617-I635 HydrophobicContact CE1-CD1 3.86Å; F617-I635 HydrophobicContact CE2-CD1 3.85Å; F617-I635 HydrophobicContact CG-CD1 3.29Å; F617-I635 HydrophobicContact CG-CG1 4.22Å; F617-I635 HydrophobicContact CZ-CD1 4.03Å; F617-P664 HydrophobicContact CE1-CB 4.46Å; F617-P664 HydrophobicContact CZ-CB 3.96Å; F617-N774 VanDerWaalsContact O-O 3.13Å
618	K	71.3	Confident	68.7	Low	182 Å²	182	82.1 Å²	82.1	79%	0.791	46%	0.461	S	S	*	.			trans	-94.5	123.8	169.1	-67.5	-177.1	179.3	-179.1	0	108.5	S620	K618-S620 PolarHBondContact O-N 2.99Å
619	W	67.9	Low	66.3	Low	69 Å²	69	86.7 Å²	86.7	26%	0.261	47%	0.473	S	S	.	.			trans	-62.3	101.8	173.2	-66.6	97.9	0	0	0	110.5	F617 L662 S669 Y673 I775	F617-W619 HydrophobicContact CD1-CD2 4.25Å; F617-W619 HydrophobicContact CD1-CG 4.5Å; F617-W619 AromaticContact CE1-CD2 3.82Å; F617-W619 HydrophobicContact CE1-CD2 3.82Å; F617-W619 AromaticContact CE1-CE3 3.78Å; F617-W619 HydrophobicContact CE1-CE3 3.78Å; F617-W619 HydrophobicContact CE1-CG 4.2Å; F617-W619 HydrophobicContact CE1-CZ3 4.21Å; W619-L662 HydrophobicContact CH2-CD2 4.15Å; W619-L662 HydrophobicContact CZ2-CD2 4.37Å; W619-S669 PolarHBondContact NE1-OG 3.24Å; W619-Y673 AromaticContact CH2-CD1 3.98Å; W619-Y673 HydrophobicContact CH2-CD1 3.98Å; W619-Y673 AromaticContact CH2-CE1 3.74Å; W619-Y673 HydrophobicContact CH2-CE1 3.74Å; W619-Y673 HydrophobicContact CZ2-CD1 4.28Å; W619-Y673 AromaticContact CZ2-CE1 3.68Å; W619-Y673 HydrophobicContact CZ2-CE1 3.68Å; W619-I775 PolarHBondContact NE1-O 2.98Å
620	S	57.5	Low	63.7	Low	33 Å²	33	92 Å²	92	23%	0.231	50%	0.497	C	S	.	.			trans	-57.2	152.7	167.1	-46.6	0	0	0	0	110.5	K618	K618-S620 PolarHBondContact O-N 2.99Å
621	S	52.6	Low	61.1	Low	40 Å²	40	92.6 Å²	92.6	28%	0.28	51%	0.506	S	S	.	.			trans	-65.3	149	168.8	69.4	0	0	0	0	110.2	S623 E624	S621-S623 WeakPolarHBondContact CB-OG 3.37Å; S621-S623 PolarHBondContact O-N 3.14Å; S621-S623 PolarHBondContact OG-OG 3.24Å; S621-E624 VanDerWaalsContact CB-OE2 3.25Å; S621-E624 WeakPolarHBondContact CB-OE2 3.39Å; S621-E624 PolarHBondContact N-OE2 3.41Å; S621-E624 PolarHBondContact O-N 2.86Å; S621-E624 VanDerWaalsContact OG-CD 3.27Å; S621-E624 WeakPolarHBondContact OG-CG 3.26Å; S621-E624 PolarHBondContact OG-N 3.43Å; S621-E624 PolarHBondContact OG-OE2 2.87Å
622	P	50.6	Low	59	Low	115 Å²	115	94 Å²	94	75%	0.747	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-23.9	175.8	-27	35.8	0	0	0	113.8
623	S	46.3	Very low	57.5	Low	93 Å²	93	96.7 Å²	96.7	65%	0.65	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-25.9	173.2	24.9	0	0	0	0	114.9	S621	S621-S623 WeakPolarHBondContact CB-OG 3.37Å; S621-S623 PolarHBondContact O-N 3.14Å; S621-S623 PolarHBondContact OG-OG 3.24Å
624	E	47.9	Very low	56.8	Low	100 Å²	100	97.1 Å²	97.1	47%	0.467	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-27.4	-177.4	-72.8	161.4	120.8	0	0	113	S621 L626 N627	S621-E624 VanDerWaalsContact CB-OE2 3.25Å; S621-E624 WeakPolarHBondContact CB-OE2 3.39Å; S621-E624 PolarHBondContact N-OE2 3.41Å; S621-E624 PolarHBondContact O-N 2.86Å; S621-E624 VanDerWaalsContact OG-CD 3.27Å; S621-E624 WeakPolarHBondContact OG-CG 3.26Å; S621-E624 PolarHBondContact OG-N 3.43Å; S621-E624 PolarHBondContact OG-OE2 2.87Å; E624-L626 PolarHBondContact O-N 3.43Å; E624-N627 PolarHBondContact O-N 3.15Å
625	C	45.8	Very low	56.9	Low	52 Å²	52	96 Å²	96	35%	0.351	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-59.2	-22.7	-177.7	-68.4	0	0	0	0	114.1	N627	C625-N627 VanDerWaalsContact C-N 3.29Å; C625-N627 PolarHBondContact O-N 2.91Å
626	L	45.3	Very low	57.2	Low	138 Å²	138	96.1 Å²	96.1	72%	0.723	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-74	-19	177.6	-167	60.7	0	0	0	113.3	E624	E624-L626 PolarHBondContact O-N 3.43Å
627	N	40.4	Very low	58.1	Low	144 Å²	144	91.2 Å²	91.2	77%	0.77	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-104.5	0.4	-178.2	-68.1	-23.9	0	0	0	113.7	E624 C625	E624-N627 PolarHBondContact O-N 3.15Å; C625-N627 VanDerWaalsContact C-N 3.29Å; C625-N627 PolarHBondContact O-N 2.91Å
628	Q	42.7	Very low	59.1	Low	96 Å²	96	91.9 Å²	91.9	45%	0.449	50%	0.499	S	S	.	.			trans	-102.5	36.7	178.9	-68.3	-172.5	-15.5	0	0	112.9	E630	Q628-E630 VanDerWaalsContact C-N 3.26Å; Q628-E630 PolarHBondContact O-N 3.33Å
629	L	40.1	Very low	60.3	Low	146 Å²	146	83.2 Å²	83.2	76%	0.764	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-14.6	-171.1	-119.5	79.1	0	0	0	115.5
630	E	39.2	Very low	61.6	Low	173 Å²	173	82 Å²	82	81%	0.808	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.5	9.4	-170.3	-61.5	-172.4	153.1	0	0	114.5	Q628	Q628-E630 VanDerWaalsContact C-N 3.26Å; Q628-E630 PolarHBondContact O-N 3.33Å
631	T	38.1	Very low	63.4	Low	130 Å²	130	81.6 Å²	81.6	80%	0.798	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.8	16.2	-177.1	-15.6	0	0	0	0	115.7	S633	T631-S633 PolarHBondContact O-N 3.42Å
632	S	49	Very low	65.4	Low	76 Å²	76	80.8 Å²	80.8	53%	0.531	45%	0.449	S	S	.	.			trans	-69.7	104	178.7	-167.3	0	0	0	0	111.6	K634	S632-K634 PolarHBondContact O-N 3.02Å; S632-K634 VanDerWaalsContact O-N 3.14Å
633	S	59.4	Low	67.4	Low	100 Å²	100	77.5 Å²	77.5	70%	0.699	43%	0.425	S	S	*	.			trans	-64.9	111	171.8	57.4	0	0	0	0	110	T631 I635	T631-S633 PolarHBondContact O-N 3.42Å; S633-I635 PolarHBondContact O-N 2.91Å
634	K	74.9	Confident	69.4	Low	120 Å²	120	76.6 Å²	76.6	52%	0.522	42%	0.416	S	S	.	.			trans	-49.2	117.9	-179.9	-174.7	-173.5	171.9	-156.1	0	111.2	S632 E636 T661	S632-K634 PolarHBondContact O-N 3.02Å; S632-K634 VanDerWaalsContact O-N 3.14Å; K634-E636 HydrophobicContact CD-CB 4.47Å; K634-E636 WeakPolarHBondContact CD-OE2 3.18Å; K634-E636 VanDerWaalsContact CE-OE2 3.28Å; K634-E636 WeakPolarHBondContact CE-OE2 3.25Å; K634-E636 HydrophobicContact CG-CB 4.33Å; K634-E636 IonicContact NZ-OE1 2.67Å; K634-E636 PolarHBondContact NZ-OE1 2.95Å; K634-E636 IonicContact NZ-OE2 2.71Å; K634-E636 PolarHBondContact NZ-OE2 3.24Å; K634-E636 PolarHBondContact O-N 3.4Å; K634-T661 HydrophobicContact CD-CG2 4.21Å; K634-T661 VanDerWaalsContact CE-CG2 3.43Å; K634-T661 WeakPolarHBondContact CE-OG1 3.44Å; K634-T661 HydrophobicContact CG-CG2 3.7Å; K634-T661 PolarHBondContact NZ-OG1 3.41Å
635	I	90.1	Very high	71.2	Confident	4 Å²	4	74 Å²	74	2%	0.021	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	91.3	178.8	-51.9	178.6	0	0	0	108.5	W614 P615 F617 S633 T661 L662 P664	W614-I635 HydrophobicContact CE3-CG2 4.05Å; W614-I635 HydrophobicContact CZ3-CG2 4.38Å; P615-I635 HydrophobicContact CG-CG2 3.96Å; F617-I635 HydrophobicContact CB-CD1 3.8Å; F617-I635 HydrophobicContact CB-CG1 4.43Å; F617-I635 HydrophobicContact CD1-CD1 3.51Å; F617-I635 HydrophobicContact CD2-CD1 3.47Å; F617-I635 VanDerWaalsContact CD2-CD1 3.47Å; F617-I635 HydrophobicContact CD2-CG1 4.13Å; F617-I635 HydrophobicContact CE1-CD1 3.86Å; F617-I635 HydrophobicContact CE2-CD1 3.85Å; F617-I635 HydrophobicContact CG-CD1 3.29Å; F617-I635 HydrophobicContact CG-CG1 4.22Å; F617-I635 HydrophobicContact CZ-CD1 4.03Å; S633-I635 PolarHBondContact O-N 2.91Å; I635-T661 CarbonylContact O-C 3.58Å; I635-T661 WeakPolarHBondContact O-CA 3.49Å; I635-L662 HydrophobicContact CB-CB 4.13Å; I635-L662 HydrophobicContact CD1-CD2 4.08Å; I635-L662 HydrophobicContact CG2-CB 4Å; I635-L662 HydrophobicContact CG2-CD2 4.28Å; I635-L662 PolarHBondContact O-N 3.46Å; I635-P664 HydrophobicContact CD1-CB 4.24Å; I635-P664 HydrophobicContact CD1-CG 3.64Å; I635-P664 HydrophobicContact CG1-CG 4.04Å
636	E	92.8	Very high	72.8	Confident	58 Å²	58	80 Å²	80	27%	0.271	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	140.4	-174.2	-177.6	159.9	-134.6	0	0	111.9	P615 K634 Q660 T661	P615-E636 WeakPolarHBondContact CD-O 3.48Å; K634-E636 HydrophobicContact CD-CB 4.47Å; K634-E636 WeakPolarHBondContact CD-OE2 3.18Å; K634-E636 VanDerWaalsContact CE-OE2 3.28Å; K634-E636 WeakPolarHBondContact CE-OE2 3.25Å; K634-E636 HydrophobicContact CG-CB 4.33Å; K634-E636 IonicContact NZ-OE1 2.67Å; K634-E636 PolarHBondContact NZ-OE1 2.95Å; K634-E636 IonicContact NZ-OE2 2.71Å; K634-E636 PolarHBondContact NZ-OE2 3.24Å; K634-E636 PolarHBondContact O-N 3.4Å; E636-Q660 CarbonylContact C-O 3.52Å; E636-Q660 VanDerWaalsContact CA-O 3.3Å; E636-Q660 WeakPolarHBondContact CA-O 3.16Å; E636-T661 PolarHBondContact OE1-OG1 2.81Å
637	R	94.2	Very high	74.1	Confident	6 Å²	6	77.1 Å²	77.1	2%	0.023	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	154.3	167	72.8	166.2	-176.7	155.5	4.6	110.4	F591 S612 W614 Q660	F591-R637 PolarHBondContact O-NH1 2.94Å; F591-R637 PolarHBondContact O-NH2 3.38Å; S612-R637 WeakPolarHBondContact OG-CB 3.18Å; W614-R637 HydrophobicContact CD2-CB 4.25Å; W614-R637 HydrophobicContact CD2-CG 3.83Å; W614-R637 VanDerWaalsContact CE2-CD 3.43Å; W614-R637 VanDerWaalsContact CE2-NE 3.29Å; W614-R637 HydrophobicContact CE3-CB 4.04Å; W614-R637 HydrophobicContact CE3-CG 3.79Å; W614-R637 HydrophobicContact CG-CG 4.49Å; W614-R637 HydrophobicContact CH2-CG 4.03Å; W614-R637 HydrophobicContact CZ2-CG 4.06Å; W614-R637 HydrophobicContact CZ3-CB 4.44Å; W614-R637 HydrophobicContact CZ3-CG 3.89Å; R637-Q660 HydrophobicContact CG-CB 3.98Å; R637-Q660 VanDerWaalsContact CZ-OE1 3.24Å; R637-Q660 PolarHBondContact N-O 3.13Å; R637-Q660 PolarHBondContact O-N 2.61Å
638	T	95.4	Very high	75.4	Confident	54 Å²	54	80.5 Å²	80.5	33%	0.331	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	136.9	176.8	-58.3	0	0	0	0	110	S612 V657 E658	S612-T638 WeakPolarHBondContact CB-O 3.24Å; S612-T638 PolarHBondContact N-O 3.01Å; S612-T638 PolarHBondContact OG-N 3.14Å; S612-T638 PolarHBondContact OG-O 3.33Å; T638-V657 HydrophobicContact CG2-CG1 3.7Å; T638-E658 CarbonylContact C-O 3.58Å; T638-E658 WeakPolarHBondContact CA-O 3.47Å
639	I	95.5	Very high	76.6	Confident	0 Å²	0	83.4 Å²	83.4	0%	0	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	141.1	175.5	-50.2	174.8	0	0	0	108	M609 I610 Q611 Y641 V657 E658 Q660	M609-I639 HydrophobicContact SD-CG2 3.52Å; M609-I639 VanDerWaalsContact SD-CG2 3.52Å; I610-I639 CarbonylContact O-C 3Å; I610-I639 VanDerWaalsContact O-CA 3.32Å; I610-I639 WeakPolarHBondContact O-CA 3.19Å; Q611-I639 HydrophobicContact CB-CG1 4.45Å; Q611-I639 HydrophobicContact CG-CD1 4.37Å; Q611-I639 HydrophobicContact CG-CG1 4.23Å; Q611-I639 HydrophobicContact CG-CG2 3.83Å; I639-Y641 HydrophobicContact CG2-CD1 3.9Å; I639-Y641 HydrophobicContact CG2-CE1 4.24Å; I639-V657 CarbonylContact O-C 3.59Å; I639-V657 WeakPolarHBondContact O-CA 3.46Å; I639-E658 HydrophobicContact CB-CB 4.36Å; I639-E658 PolarHBondContact N-O 3.32Å; I639-E658 PolarHBondContact O-N 3.1Å; I639-Q660 HydrophobicContact CD1-CG 4.24Å
640	T	96.1	Very high	78	Confident	45 Å²	45	79 Å²	79	28%	0.276	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	136.8	173.5	-56.7	0	0	0	0	109.5	M609 I610 T655 A656 V657	M609-T640 CarbonylContact C-O 3.44Å; M609-T640 WeakPolarHBondContact CA-O 3.34Å; I610-T640 PolarHBondContact N-O 3.38Å; I610-T640 PolarHBondContact O-N 3.34Å; T640-T655 HydrophobicContact CG2-CG2 4.11Å; T640-A656 WeakPolarHBondContact CA-O 3.34Å; T640-V657 HydrophobicContact CG2-CG2 4.23Å
641	Y	95.5	Very high	79.8	Confident	24 Å²	24	73 Å²	73	9%	0.094	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	167.9	176.3	47.2	-95	0	0	0	111.5	T606 M609 I639 L643 T655 A656 E658	T606-Y641 HydrophobicContact CG2-CD2 3.83Å; T606-Y641 HydrophobicContact CG2-CG 4.02Å; M609-Y641 HydrophobicContact CE-CD1 3.87Å; M609-Y641 HydrophobicContact CE-CG 4.01Å; M609-Y641 HydrophobicContact SD-CD1 3.92Å; M609-Y641 HydrophobicContact SD-CG 4.39Å; I639-Y641 HydrophobicContact CG2-CD1 3.9Å; I639-Y641 HydrophobicContact CG2-CE1 4.24Å; Y641-L643 HydrophobicContact CD2-CD2 3.85Å; Y641-L643 HydrophobicContact CD2-CG 3.94Å; Y641-L643 HydrophobicContact CE2-CD1 4.21Å; Y641-L643 HydrophobicContact CE2-CD2 3.78Å; Y641-L643 HydrophobicContact CE2-CG 3.89Å; Y641-T655 CarbonylContact O-C 3.46Å; Y641-T655 WeakPolarHBondContact O-CA 3.28Å; Y641-A656 HydrophobicContact CD2-CB 3.94Å; Y641-A656 HydrophobicContact CE2-CB 3.54Å; Y641-A656 PolarHBondContact N-O 2.88Å; Y641-A656 PolarHBondContact O-N 3.09Å; Y641-E658 HydrophobicContact CE1-CB 4.03Å; Y641-E658 WeakPolarHBondContact CE1-OE2 3.46Å; Y641-E658 PolarHBondContact OH-OE2 3.13Å
642	T	94.1	Very high	82	Confident	22 Å²	22	76.7 Å²	76.7	14%	0.135	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	119.6	172.3	-58.9	0	0	0	0	110.1	T606 F607 T653 C654	T606-T642 WeakPolarHBondContact CA-O 3.4Å; F607-T642 HydrophobicContact CE1-CG2 3.91Å; F607-T642 HydrophobicContact CE2-CG2 3.83Å; F607-T642 HydrophobicContact CZ-CG2 3.43Å; F607-T642 VanDerWaalsContact CZ-CG2 3.43Å; F607-T642 PolarHBondContact N-O 2.99Å; F607-T642 PolarHBondContact O-N 2.87Å; T642-T653 HydrophobicContact CG2-CG2 4.28Å; T642-C654 WeakPolarHBondContact CA-O 3.4Å
643	L	92.4	Very high	84	Confident	47 Å²	47	75.9 Å²	75.9	25%	0.246	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	144.7	174.2	-62.3	173.9	0	0	0	110.5	T606 Y641 T653 C654 A656	T606-L643 HydrophobicContact CG2-CD2 4Å; Y641-L643 HydrophobicContact CD2-CD2 3.85Å; Y641-L643 HydrophobicContact CD2-CG 3.94Å; Y641-L643 HydrophobicContact CE2-CD1 4.21Å; Y641-L643 HydrophobicContact CE2-CD2 3.78Å; Y641-L643 HydrophobicContact CE2-CG 3.89Å; L643-T653 CarbonylContact O-C 3.58Å; L643-T653 WeakPolarHBondContact O-CA 3.35Å; L643-T653 WeakPolarHBondContact O-CB 3.46Å; L643-C654 PolarHBondContact N-O 3.01Å; L643-C654 PolarHBondContact O-N 3.4Å; L643-A656 HydrophobicContact CD1-CB 4.44Å
644	T	89.1	Confident	85.5	Confident	73 Å²	73	71.1 Å²	71.1	45%	0.448	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	141.5	162.3	43.5	0	0	0	0	110.6	G605 F607 T653	G605-T644 WeakPolarHBondContact O-CG2 3.29Å; G605-T644 PolarHBondContact O-OG1 3.41Å; F607-T644 HydrophobicContact CE1-CG2 4.02Å; T644-T653 HydrophobicContact CG2-CG2 4.34Å
645	L	85.2	Confident	86.4	Confident	47 Å²	47	68.3 Å²	68.3	25%	0.246	35%	0.35	C	S	.	.			trans	-114.9	126.2	-174.8	-60.6	-176.8	0	0	0	111.7	Q647 R652 C654 V684	L645-Q647 HydrophobicContact CB-CG 4.09Å; L645-Q647 PolarHBondContact O-N 3.32Å; L645-R652 PolarHBondContact N-O 2.86Å; L645-C654 HydrophobicContact CD1-CB 3.87Å; L645-C654 HydrophobicContact CD2-CB 4.1Å; L645-C654 HydrophobicContact CG-CB 4.12Å; L645-V684 HydrophobicContact CD1-CG1 3.85Å
646	K	78.9	Confident	86.7	Confident	177 Å²	177	68.1 Å²	68.1	77%	0.77	35%	0.349	S	S	*	.			trans	-74.3	13.6	179.9	-59.3	172.9	-177.8	169.6	0	113.9	D738	K646-D738 IonicContact NZ-OD1 2.88Å; K646-D738 PolarHBondContact NZ-OD1 3.35Å; K646-D738 IonicContact NZ-OD2 2.66Å; K646-D738 PolarHBondContact NZ-OD2 3.24Å
647	Q	72.3	Confident	86.9	Confident	77 Å²	77	67 Å²	67	36%	0.36	35%	0.346	S	S	.	.			trans	-88	143.5	-173	67.5	-177	-2.4	0	0	113.3	L645 L649 P651	L645-Q647 HydrophobicContact CB-CG 4.09Å; L645-Q647 PolarHBondContact O-N 3.32Å; Q647-L649 VanDerWaalsContact CD-O 3.26Å; Q647-L649 WeakPolarHBondContact CG-O 3.28Å; Q647-P651 PolarHBondContact NE2-O 3.38Å
648	K	69.3	Low	87	Confident	216 Å²	216	67.1 Å²	67.1	94%	0.939	35%	0.347	S	S	*	.	S	Bend	trans	-81.7	-13.9	-178.3	-64.5	-169.7	178	-172.1	0	114.8
649	L	67.2	Low	87.1	Confident	156 Å²	156	67.9 Å²	67.9	82%	0.817	35%	0.347	S	S	*	.	S	Bend	trans	-141.5	147.9	-177.6	-154.6	78.9	0	0	0	109.1	Q647	Q647-L649 VanDerWaalsContact CD-O 3.26Å; Q647-L649 WeakPolarHBondContact CG-O 3.28Å
650	G	69.1	Low	87.2	Confident	54 Å²	54	68 Å²	68	56%	0.557	35%	0.348	S	S	*	.	S	Bend	trans	87.8	-170.8	-170.1	0	0	0	0	0	112.6
651	P	76.6	Confident	87.1	Confident	46 Å²	46	66.7 Å²	66.7	30%	0.299	34%	0.339	S	S	.	.			trans	-67.3	143.4	-177.8	28.9	-35.5	0	0	0	111.4	Q647 T653 A683	Q647-P651 PolarHBondContact NE2-O 3.38Å; P651-T653 VanDerWaalsContact C-N 3.25Å; P651-T653 PolarHBondContact O-N 3.47Å; P651-A683 HydrophobicContact CG-CB 4.41Å
652	R	85.8	Confident	87.1	Confident	208 Å²	208	65.6 Å²	65.6	79%	0.785	34%	0.335	S	S	*	.	S	Bend	trans	-79.3	-7	176	-65.8	-175	179.5	-176.6	0.8	113.4	L645	L645-R652 PolarHBondContact N-O 2.86Å
653	T	89.9	Confident	87	Confident	59 Å²	59	65.9 Å²	65.9	36%	0.362	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	159.2	-178.6	50.5	0	0	0	0	111.2	F607 T642 L643 T644 P651	F607-T653 HydrophobicContact CE1-CG2 4.15Å; F607-T653 HydrophobicContact CZ-CG2 4.03Å; T642-T653 HydrophobicContact CG2-CG2 4.28Å; L643-T653 CarbonylContact O-C 3.58Å; L643-T653 WeakPolarHBondContact O-CA 3.35Å; L643-T653 WeakPolarHBondContact O-CB 3.46Å; T644-T653 HydrophobicContact CG2-CG2 4.34Å; P651-T653 VanDerWaalsContact C-N 3.25Å; P651-T653 PolarHBondContact O-N 3.47Å
654	C	92	Very high	86.7	Confident	1 Å²	1	65 Å²	65	1%	0.007	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	119.3	177	164.7	0	0	0	0	109.4	T642 L643 L645 H682 V684	T642-C654 WeakPolarHBondContact CA-O 3.4Å; L643-C654 PolarHBondContact N-O 3.01Å; L643-C654 PolarHBondContact O-N 3.4Å; L645-C654 HydrophobicContact CD1-CB 3.87Å; L645-C654 HydrophobicContact CD2-CB 4.1Å; L645-C654 HydrophobicContact CG-CB 4.12Å; C654-H682 PolarHBondContact SG-O 2.68Å; C654-V684 HydrophobicContact CB-CG1 3.88Å
655	T	94	Very high	86.5	Confident	61 Å²	61	66.3 Å²	66.3	37%	0.374	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	128.8	166.8	-52.9	0	0	0	0	108.7	T640 Y641 H682	T640-T655 HydrophobicContact CG2-CG2 4.11Å; Y641-T655 CarbonylContact O-C 3.46Å; Y641-T655 WeakPolarHBondContact O-CA 3.28Å; T655-H682 WeakPolarHBondContact O-CB 3.4Å; T655-H682 PolarHBondContact O-CD2 3.5Å; T655-H682 PolarHBondContact O-N 2.89Å
656	A	95.4	Very high	86.6	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	143.4	178.4	0	0	0	0	0	109.8	T640 Y641 L643 V679 T680 N681	T640-A656 WeakPolarHBondContact CA-O 3.34Å; Y641-A656 HydrophobicContact CD2-CB 3.94Å; Y641-A656 HydrophobicContact CE2-CB 3.54Å; Y641-A656 PolarHBondContact N-O 2.88Å; Y641-A656 PolarHBondContact O-N 3.09Å; L643-A656 HydrophobicContact CD1-CB 4.44Å; A656-V679 HydrophobicContact CB-CG1 4.33Å; A656-T680 WeakPolarHBondContact CA-O 3.31Å; A656-N681 WeakPolarHBondContact CB-OD1 3.45Å
657	V	96.6	Very high	87.2	Confident	33 Å²	33	58.4 Å²	58.4	20%	0.2	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.4	172.2	-179.2	0	0	0	0	107.5	T638 I639 T640 V679 T680	T638-V657 HydrophobicContact CG2-CG1 3.7Å; I639-V657 CarbonylContact O-C 3.59Å; I639-V657 WeakPolarHBondContact O-CA 3.46Å; T640-V657 HydrophobicContact CG2-CG2 4.23Å; V657-V679 WeakPolarHBondContact O-CA 3.42Å; V657-T680 PolarHBondContact N-O 3.19Å; V657-T680 PolarHBondContact O-N 3.41Å; V657-T680 PolarHBondContact O-OG1 2.86Å
658	E	97.2	Very high	88	Confident	10 Å²	10	58.2 Å²	58.2	5%	0.047	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	117.7	-177.8	179.3	178.7	170	0	0	110	T638 I639 Y641 Q660 A677 K678 V679	T638-E658 CarbonylContact C-O 3.58Å; T638-E658 WeakPolarHBondContact CA-O 3.47Å; I639-E658 HydrophobicContact CB-CB 4.36Å; I639-E658 PolarHBondContact N-O 3.32Å; I639-E658 PolarHBondContact O-N 3.1Å; Y641-E658 HydrophobicContact CE1-CB 4.03Å; Y641-E658 WeakPolarHBondContact CE1-OE2 3.46Å; Y641-E658 PolarHBondContact OH-OE2 3.13Å; E658-Q660 HydrophobicContact CG-CG 3.92Å; E658-Q660 WeakPolarHBondContact OE1-CG 3.25Å; E658-Q660 PolarHBondContact OE1-NE2 3.4Å; E658-A677 HydrophobicContact CG-CB 4.08Å; E658-A677 WeakPolarHBondContact OE1-CB 3.42Å; E658-K678 CarbonylContact C-O 3.55Å; E658-K678 WeakPolarHBondContact CA-O 3.42Å; E658-V679 HydrophobicContact CB-CG2 4.17Å; E658-V679 HydrophobicContact CG-CG2 3.88Å
659	Q	96.6	Very high	88.8	Confident	70 Å²	70	49.3 Å²	49.3	33%	0.327	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	108.1	175.2	-57.4	-176.1	-68.1	0	0	108.7	A677 K678	Q659-A677 CarbonylContact O-C 3.58Å; Q659-A677 WeakPolarHBondContact O-CA 3.28Å; Q659-K678 HydrophobicContact CB-CB 4.43Å; Q659-K678 PolarHBondContact N-O 3Å; Q659-K678 PolarHBondContact O-N 2.99Å
660	Q	97.2	Very high	89.7	Confident	3 Å²	3	42.9 Å²	42.9	1%	0.014	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	123.3	-179.5	-63.7	-171.2	-20.1	0	0	110.6	W614 E636 R637 I639 E658 I675 D676 A677	W614-Q660 HydrophobicContact CH2-CB 3.85Å; W614-Q660 HydrophobicContact CZ2-CB 4.41Å; E636-Q660 CarbonylContact C-O 3.52Å; E636-Q660 VanDerWaalsContact CA-O 3.3Å; E636-Q660 WeakPolarHBondContact CA-O 3.16Å; R637-Q660 HydrophobicContact CG-CB 3.98Å; R637-Q660 VanDerWaalsContact CZ-OE1 3.24Å; R637-Q660 PolarHBondContact N-O 3.13Å; R637-Q660 PolarHBondContact O-N 2.61Å; I639-Q660 HydrophobicContact CD1-CG 4.24Å; E658-Q660 HydrophobicContact CG-CG 3.92Å; E658-Q660 WeakPolarHBondContact OE1-CG 3.25Å; E658-Q660 PolarHBondContact OE1-NE2 3.4Å; Q660-I675 HydrophobicContact CB-CG2 4.27Å; Q660-D676 CarbonylContact C-O 3.47Å; Q660-D676 WeakPolarHBondContact CA-O 3.42Å; Q660-A677 HydrophobicContact CG-CB 4.22Å
661	T	95.4	Very high	90.7	Very high	16 Å²	16	43.7 Å²	43.7	10%	0.098	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	117.7	179.7	-56.2	0	0	0	0	110.5	K634 I635 E636 L663 I675 D676	K634-T661 HydrophobicContact CD-CG2 4.21Å; K634-T661 VanDerWaalsContact CE-CG2 3.43Å; K634-T661 WeakPolarHBondContact CE-OG1 3.44Å; K634-T661 HydrophobicContact CG-CG2 3.7Å; K634-T661 PolarHBondContact NZ-OG1 3.41Å; I635-T661 CarbonylContact O-C 3.58Å; I635-T661 WeakPolarHBondContact O-CA 3.49Å; E636-T661 PolarHBondContact OE1-OG1 2.81Å; T661-L663 HydrophobicContact CG2-CD2 4.1Å; T661-I675 CarbonylContact O-C 3.57Å; T661-I675 VanDerWaalsContact O-CA 3.3Å; T661-I675 WeakPolarHBondContact O-CA 3.44Å; T661-D676 PolarHBondContact N-O 2.99Å; T661-D676 PolarHBondContact O-N 3.42Å
662	L	94.2	Very high	91.5	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	125.1	170	176.5	68.4	0	0	0	109.2	W614 W619 I635 P664 S667 Y673 I675	W614-L662 HydrophobicContact CH2-CB 4.28Å; W614-L662 HydrophobicContact CZ3-CB 3.97Å; W619-L662 HydrophobicContact CH2-CD2 4.15Å; W619-L662 HydrophobicContact CZ2-CD2 4.37Å; I635-L662 HydrophobicContact CB-CB 4.13Å; I635-L662 HydrophobicContact CD1-CD2 4.08Å; I635-L662 HydrophobicContact CG2-CB 4Å; I635-L662 HydrophobicContact CG2-CD2 4.28Å; I635-L662 PolarHBondContact O-N 3.46Å; L662-P664 VanDerWaalsContact O-CD 3.26Å; L662-P664 WeakPolarHBondContact O-CD 3.4Å; L662-S667 WeakPolarHBondContact CD1-OG 3.28Å; L662-Y673 HydrophobicContact CD1-CD1 4.48Å; L662-I675 HydrophobicContact CD1-CD1 4.4Å; L662-I675 HydrophobicContact CD1-CG1 3.74Å
663	L	91.9	Very high	92	Very high	29 Å²	29	33.4 Å²	33.4	15%	0.152	19%	0.191	C	C	.	.			trans	-87.5	106.7	178.6	-59.1	-172.8	0	0	0	110.4	T661 E666 S667 I674	T661-L663 HydrophobicContact CG2-CD2 4.1Å; L663-E666 HydrophobicContact CB-CB 4.31Å; L663-E666 PolarHBondContact O-N 3.02Å; L663-S667 WeakPolarHBondContact O-CB 3.18Å; L663-S667 PolarHBondContact O-N 3.25Å; L663-S667 PolarHBondContact O-OG 3.42Å; L663-I674 HydrophobicContact CB-CB 4.39Å; L663-I674 HydrophobicContact CB-CG2 4.38Å; L663-I674 HydrophobicContact CD1-CG2 3.82Å; L663-I674 HydrophobicContact CG-CG2 4.3Å; L663-I674 PolarHBondContact N-O 3.01Å
664	P	87.2	Confident	92.2	Very high	29 Å²	29	30.6 Å²	30.6	19%	0.188	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-29.1	-171.6	-8.3	26.1	0	0	0	112.4	F617 I635 L662 E666	F617-P664 HydrophobicContact CE1-CB 4.46Å; F617-P664 HydrophobicContact CZ-CB 3.96Å; I635-P664 HydrophobicContact CD1-CB 4.24Å; I635-P664 HydrophobicContact CD1-CG 3.64Å; I635-P664 HydrophobicContact CG1-CG 4.04Å; L662-P664 VanDerWaalsContact O-CD 3.26Å; L662-P664 WeakPolarHBondContact O-CD 3.4Å; P664-E666 PolarHBondContact O-N 2.7Å
665	S	85.1	Confident	92.4	Very high	99 Å²	99	30.6 Å²	30.6	69%	0.692	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-26.2	174	46.5	0	0	0	0	113.3
666	E	87.1	Confident	92.5	Very high	50 Å²	50	29.1 Å²	29.1	23%	0.234	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-19.5	-177.1	-61.3	-170.5	-132.8	0	0	113.3	H567 L663 P664 R672 I674	H567-E666 IonicContact CE1-OE2 2.7Å; H567-E666 IonicContact CG-OE2 3.02Å; H567-E666 IonicContact ND1-OE2 3.33Å; H567-E666 PolarHBondContact ND1-OE2 2.84Å; L663-E666 HydrophobicContact CB-CB 4.31Å; L663-E666 PolarHBondContact O-N 3.02Å; P664-E666 PolarHBondContact O-N 2.7Å; E666-R672 VanDerWaalsContact O-CZ 3.26Å; E666-R672 PolarHBondContact O-NE 2.78Å; E666-R672 PolarHBondContact O-NH2 3.49Å; E666-I674 HydrophobicContact CB-CB 4.19Å; E666-I674 HydrophobicContact CB-CG1 3.88Å
667	S	90.4	Very high	92.6	Very high	8 Å²	8	29.1 Å²	29.1	6%	0.056	16%	0.163	C	C	.	.			trans	-87.4	141.4	178.7	-58.8	0	0	0	0	112.3	L662 L663 R672 I674	L662-S667 WeakPolarHBondContact CD1-OG 3.28Å; L663-S667 WeakPolarHBondContact O-CB 3.18Å; L663-S667 PolarHBondContact O-N 3.25Å; L663-S667 PolarHBondContact O-OG 3.42Å; S667-R672 CarbonylContact C-O 3.18Å; S667-R672 VanDerWaalsContact CA-O 3.28Å; S667-R672 WeakPolarHBondContact CA-O 3.5Å; S667-I674 PolarHBondContact OG-N 3.21Å
668	I	89.1	Confident	92.6	Very high	73 Å²	73	30 Å²	30	37%	0.374	16%	0.164	S	C	.	.	B	Isolated β-bridge	trans	-128.8	115.6	176.6	-53.4	175.2	0	0	0	107.3	G670 K671 R672	I668-G670 PolarHBondContact O-N 2.68Å; I668-K671 HydrophobicContact CB-CB 4.07Å; I668-K671 HydrophobicContact CG2-CB 3.93Å; I668-K671 HydrophobicContact CG2-CD 4.13Å; I668-K671 HydrophobicContact CG2-CG 4.4Å; I668-K671 PolarHBondContact O-N 3.06Å; I668-R672 CarbonylContact C-O 3.52Å; I668-R672 PolarHBondContact N-O 2.93Å; I668-R672 PolarHBondContact O-N 2.7Å; I668-R672 VanDerWaalsContact O-O 3.07Å
669	S	86.8	Confident	92.6	Very high	30 Å²	30	30.4 Å²	30.4	21%	0.21	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	133.4	-176.2	-153.2	0	0	0	0	112.3	W619 K671 P777	W619-S669 PolarHBondContact NE1-OG 3.24Å; S669-K671 PolarHBondContact O-N 2.82Å; S669-P777 WeakPolarHBondContact OG-CD 3.42Å
670	G	85.6	Confident	92.6	Very high	20 Å²	20	28.8 Å²	28.8	21%	0.206	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	1.8	-176	0	0	0	0	0	116.2	V583 N584 I668 Y673	V583-G670 VanDerWaalsContact CG1-C 3.48Å; V583-G670 VanDerWaalsContact CG1-O 3.24Å; V583-G670 WeakPolarHBondContact CG1-O 3.41Å; N584-G670 WeakPolarHBondContact OD1-CA 3.46Å; I668-G670 PolarHBondContact O-N 2.68Å; G670-Y673 PolarHBondContact N-OH 3.47Å
671	K	91.2	Very high	92.4	Very high	71 Å²	71	30.2 Å²	30.2	31%	0.309	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.2	-44.2	-169.4	-71.7	-169.2	-172.1	-167.3	0	114.6	E558 I561 I668 S669 Y700	E558-K671 WeakPolarHBondContact OE1-CE 3.31Å; E558-K671 IonicContact OE1-NZ 2.61Å; E558-K671 PolarHBondContact OE1-NZ 2.87Å; E558-K671 WeakPolarHBondContact OE2-CE 3.33Å; E558-K671 IonicContact OE2-NZ 3.52Å; I561-K671 HydrophobicContact CD1-CB 3.56Å; I561-K671 HydrophobicContact CD1-CD 3.91Å; I561-K671 HydrophobicContact CD1-CG 3.84Å; I668-K671 HydrophobicContact CB-CB 4.07Å; I668-K671 HydrophobicContact CG2-CB 3.93Å; I668-K671 HydrophobicContact CG2-CD 4.13Å; I668-K671 HydrophobicContact CG2-CG 4.4Å; I668-K671 PolarHBondContact O-N 3.06Å; S669-K671 PolarHBondContact O-N 2.82Å; K671-Y700 VanDerWaalsContact O-CB 3.28Å; K671-Y700 WeakPolarHBondContact O-CB 3.3Å; K671-Y700 PolarHBondContact O-N 2.85Å
672	R	93.7	Very high	92.1	Very high	35 Å²	35	33.8 Å²	33.8	13%	0.132	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	128.8	-179.6	-174.9	166.6	75.1	-156.6	0	110.8	I561 T562 E666 S667 I668 I674 L698 L699	I561-R672 HydrophobicContact CG2-CB 4.39Å; T562-R672 PolarHBondContact O-NH1 3.29Å; E666-R672 VanDerWaalsContact O-CZ 3.26Å; E666-R672 PolarHBondContact O-NE 2.78Å; E666-R672 PolarHBondContact O-NH2 3.49Å; S667-R672 CarbonylContact C-O 3.18Å; S667-R672 VanDerWaalsContact CA-O 3.28Å; S667-R672 WeakPolarHBondContact CA-O 3.5Å; I668-R672 CarbonylContact C-O 3.52Å; I668-R672 PolarHBondContact N-O 2.93Å; I668-R672 PolarHBondContact O-N 2.7Å; I668-R672 VanDerWaalsContact O-O 3.07Å; R672-I674 HydrophobicContact CG-CD1 3.82Å; R672-I674 HydrophobicContact CG-CG1 4.15Å; R672-L698 CarbonylContact C-O 3.51Å; R672-L698 VanDerWaalsContact CA-O 3.28Å; R672-L698 WeakPolarHBondContact CA-O 3.45Å; R672-L699 HydrophobicContact CG-CD2 3.74Å
673	Y	94.5	Very high	91.6	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.016	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	126.9	168.7	-57.7	-70	0	0	0	110	V583 N584 F587 W619 L662 G670 L698	V583-Y673 HydrophobicContact CG1-CE2 4.46Å; V583-Y673 HydrophobicContact CG2-CD2 4.06Å; V583-Y673 HydrophobicContact CG2-CE2 4.32Å; N584-Y673 WeakPolarHBondContact OD1-CE2 3.35Å; N584-Y673 PolarHBondContact OD1-OH 2.97Å; F587-Y673 HydrophobicContact CB-CD2 3.96Å; F587-Y673 HydrophobicContact CB-CE2 4.07Å; F587-Y673 HydrophobicContact CD2-CD1 4.14Å; F587-Y673 AromaticContact CD2-CD2 3.8Å; F587-Y673 HydrophobicContact CD2-CD2 3.8Å; F587-Y673 HydrophobicContact CD2-CE2 4.3Å; F587-Y673 AromaticContact CD2-CG 3.71Å; F587-Y673 HydrophobicContact CD2-CG 3.71Å; F587-Y673 HydrophobicContact CE2-CD1 4.35Å; F587-Y673 HydrophobicContact CE2-CG 4.3Å; F587-Y673 HydrophobicContact CG-CD2 4.2Å; F587-Y673 HydrophobicContact CG-CE2 4.36Å; W619-Y673 AromaticContact CH2-CD1 3.98Å; W619-Y673 HydrophobicContact CH2-CD1 3.98Å; W619-Y673 AromaticContact CH2-CE1 3.74Å; W619-Y673 HydrophobicContact CH2-CE1 3.74Å; W619-Y673 HydrophobicContact CZ2-CD1 4.28Å; W619-Y673 AromaticContact CZ2-CE1 3.68Å; W619-Y673 HydrophobicContact CZ2-CE1 3.68Å; L662-Y673 HydrophobicContact CD1-CD1 4.48Å; G670-Y673 PolarHBondContact N-OH 3.47Å; Y673-L698 PolarHBondContact N-O 3.02Å; Y673-L698 PolarHBondContact O-N 2.81Å
674	I	95.5	Very high	91.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	118.4	177.1	-53.4	-56.2	0	0	0	108.5	L663 E666 S667 R672 R695 Y696 C697	L663-I674 HydrophobicContact CB-CB 4.39Å; L663-I674 HydrophobicContact CB-CG2 4.38Å; L663-I674 HydrophobicContact CD1-CG2 3.82Å; L663-I674 HydrophobicContact CG-CG2 4.3Å; L663-I674 PolarHBondContact N-O 3.01Å; E666-I674 HydrophobicContact CB-CB 4.19Å; E666-I674 HydrophobicContact CB-CG1 3.88Å; S667-I674 PolarHBondContact OG-N 3.21Å; R672-I674 HydrophobicContact CG-CD1 3.82Å; R672-I674 HydrophobicContact CG-CG1 4.15Å; I674-R695 HydrophobicContact CG2-CG 4.48Å; I674-Y696 WeakPolarHBondContact CA-O 3.39Å; I674-C697 HydrophobicContact CD1-CB 3.83Å
675	I	96	Very high	91	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	124.9	-173.7	-55.2	168.1	0	0	0	109.6	F587 F591 W614 Q660 T661 L662 Y696	F587-I675 HydrophobicContact CD2-CD1 4.08Å; F587-I675 HydrophobicContact CE2-CD1 3.74Å; F591-I675 HydrophobicContact CB-CD1 4.42Å; F591-I675 HydrophobicContact CD1-CD1 3.53Å; F591-I675 HydrophobicContact CD1-CG2 4.25Å; F591-I675 HydrophobicContact CD2-CD1 3.68Å; F591-I675 HydrophobicContact CE1-CB 4.2Å; F591-I675 HydrophobicContact CE1-CD1 3.62Å; F591-I675 HydrophobicContact CE1-CG2 3.84Å; F591-I675 HydrophobicContact CE2-CD1 3.79Å; F591-I675 HydrophobicContact CG-CD1 3.57Å; F591-I675 HydrophobicContact CZ-CB 4.43Å; F591-I675 HydrophobicContact CZ-CD1 3.76Å; W614-I675 HydrophobicContact CH2-CG2 4.1Å; Q660-I675 HydrophobicContact CB-CG2 4.27Å; T661-I675 CarbonylContact O-C 3.57Å; T661-I675 VanDerWaalsContact O-CA 3.3Å; T661-I675 WeakPolarHBondContact O-CA 3.44Å; L662-I675 HydrophobicContact CD1-CD1 4.4Å; L662-I675 HydrophobicContact CD1-CG1 3.74Å; I675-Y696 PolarHBondContact N-O 2.96Å; I675-Y696 PolarHBondContact O-N 3.25Å
676	D	96.7	Very high	91.1	Very high	30 Å²	30	37.7 Å²	37.7	16%	0.16	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	123.7	173.3	-75.5	-25.4	0	0	0	110.5	Q660 T661 R695	Q660-D676 CarbonylContact C-O 3.47Å; Q660-D676 WeakPolarHBondContact CA-O 3.42Å; T661-D676 PolarHBondContact N-O 2.99Å; T661-D676 PolarHBondContact O-N 3.42Å; D676-R695 VanDerWaalsContact OD1-CB 3.28Å; D676-R695 WeakPolarHBondContact OD1-CB 3.29Å; D676-R695 WeakPolarHBondContact OD1-CG 3.37Å; D676-R695 IonicContact OD1-CZ 3.67Å; D676-R695 IonicContact OD1-NE 3.61Å; D676-R695 PolarHBondContact OD1-NE 3.26Å; D676-R695 IonicContact OD1-NH2 3.61Å; D676-R695 PolarHBondContact OD1-NH2 3.16Å; D676-R695 IonicContact OD2-CZ 3.81Å; D676-R695 IonicContact OD2-NE 2.81Å; D676-R695 IonicContact OD2-NH2 3.9Å; D676-R695 PolarHBondContact OD2-NH2 2.73Å
677	A	97	Very high	91.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	114	174.1	0	0	0	0	0	110.7	E658 Q659 Q660 V693 S694 Y696	E658-A677 HydrophobicContact CG-CB 4.08Å; E658-A677 WeakPolarHBondContact OE1-CB 3.42Å; Q659-A677 CarbonylContact O-C 3.58Å; Q659-A677 WeakPolarHBondContact O-CA 3.28Å; Q660-A677 HydrophobicContact CG-CB 4.22Å; A677-V693 CarbonylContact O-C 3.56Å; A677-V693 VanDerWaalsContact O-CA 3.32Å; A677-V693 WeakPolarHBondContact O-CA 3.24Å; A677-S694 PolarHBondContact N-O 2.94Å; A677-S694 PolarHBondContact O-N 2.98Å; A677-Y696 HydrophobicContact CB-CD2 4.46Å; A677-Y696 HydrophobicContact CB-CE2 3.89Å
678	K	97	Very high	91.1	Very high	51 Å²	51	41 Å²	41	22%	0.222	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	114.1	166.6	168.8	165	-177.8	164.7	0	108.8	E658 Q659 Y691 V692 E717	E658-K678 CarbonylContact C-O 3.55Å; E658-K678 WeakPolarHBondContact CA-O 3.42Å; Q659-K678 HydrophobicContact CB-CB 4.43Å; Q659-K678 PolarHBondContact N-O 3Å; Q659-K678 PolarHBondContact O-N 2.99Å; K678-Y691 HydrophobicContact CD-CD2 3.65Å; K678-Y691 HydrophobicContact CD-CE2 3.56Å; K678-Y691 HydrophobicContact CD-CG 4.24Å; K678-Y691 VanDerWaalsContact CE-CD2 3.44Å; K678-Y691 VanDerWaalsContact CE-CG 3.49Å; K678-Y691 HydrophobicContact CG-CD2 3.61Å; K678-Y691 HydrophobicContact CG-CE2 3.92Å; K678-Y691 HydrophobicContact CG-CG 4.34Å; K678-V692 CarbonylContact C-O 3.56Å; K678-V692 WeakPolarHBondContact CA-O 3.33Å; K678-E717 IonicContact NZ-OE1 2.69Å; K678-E717 PolarHBondContact NZ-OE1 3.31Å
679	V	97	Very high	91.3	Very high	19 Å²	19	38.1 Å²	38.1	12%	0.115	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	118.3	176.3	-175.9	0	0	0	0	110	A656 V657 E658 V692	A656-V679 HydrophobicContact CB-CG1 4.33Å; V657-V679 WeakPolarHBondContact O-CA 3.42Å; E658-V679 HydrophobicContact CB-CG2 4.17Å; E658-V679 HydrophobicContact CG-CG2 3.88Å; V679-V692 HydrophobicContact CB-CB 4.48Å; V679-V692 PolarHBondContact N-O 2.97Å; V679-V692 PolarHBondContact O-N 2.92Å
680	T	95.2	Very high	91.6	Very high	37 Å²	37	37.6 Å²	37.6	23%	0.227	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	119.4	169.7	50.4	0	0	0	0	109.9	A656 V657	A656-T680 WeakPolarHBondContact CA-O 3.31Å; V657-T680 PolarHBondContact N-O 3.19Å; V657-T680 PolarHBondContact O-N 3.41Å; V657-T680 PolarHBondContact O-OG1 2.86Å
681	N	92.9	Very high	92.1	Very high	33 Å²	33	38.6 Å²	38.6	18%	0.176	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	148.7	176.7	-72.6	-28.1	0	0	0	110.8	A656 V684 S687	A656-N681 WeakPolarHBondContact CB-OD1 3.45Å; N681-V684 HydrophobicContact CB-CG2 3.82Å; N681-S687 WeakPolarHBondContact O-CB 3.41Å
682	H	90.3	Very high	92.4	Very high	91 Å²	91	35.6 Å²	35.6	42%	0.421	20%	0.2	S	C	.	.			trans	-120.9	162	175.5	-57.8	-71.3	0	0	0	111.3	C654 T655 V684	C654-H682 PolarHBondContact SG-O 2.68Å; T655-H682 WeakPolarHBondContact O-CB 3.4Å; T655-H682 PolarHBondContact O-CD2 3.5Å; T655-H682 PolarHBondContact O-N 2.89Å; H682-V684 PolarHBondContact O-N 3.35Å
683	A	83.3	Confident	92.5	Very high	73 Å²	73	35 Å²	35	60%	0.603	20%	0.2	S	C	*	.	S	Bend	trans	61.6	-19.8	-175.7	0	0	0	0	0	117.4	P651	P651-A683 HydrophobicContact CG-CB 4.41Å
684	V	83.1	Confident	92.7	Very high	22 Å²	22	35 Å²	35	13%	0.133	20%	0.2	C	C	.	.	S	Bend	trans	-68	147.8	172.5	-62.5	0	0	0	0	111.6	L645 C654 N681 H682 L686 S687	L645-V684 HydrophobicContact CD1-CG1 3.85Å; C654-V684 HydrophobicContact CB-CG1 3.88Å; N681-V684 HydrophobicContact CB-CG2 3.82Å; H682-V684 PolarHBondContact O-N 3.35Å; V684-L686 PolarHBondContact O-N 3.13Å; V684-S687 WeakPolarHBondContact O-CB 3.38Å; V684-S687 PolarHBondContact O-N 2.86Å; V684-S687 VanDerWaalsContact O-N 3.16Å; V684-S687 PolarHBondContact O-OG 2.92Å
685	P	84.2	Confident	92.8	Very high	93 Å²	93	36.6 Å²	36.6	60%	0.604	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	136.3	177.2	-26.2	35.2	0	0	0	112.4	S687	P685-S687 PolarHBondContact O-N 3.35Å; P685-S687 VanDerWaalsContact O-N 3.12Å
686	L	86.4	Confident	92.8	Very high	52 Å²	52	37.2 Å²	37.2	27%	0.272	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	15.3	-178.7	-55.1	171.1	0	0	0	115.3	V684 N688 C689 F690 V720 F721 A724 I728	V684-L686 PolarHBondContact O-N 3.13Å; L686-N688 PolarHBondContact O-N 3.1Å; L686-C689 WeakPolarHBondContact O-CB 3.46Å; L686-C689 PolarHBondContact O-N 2.99Å; L686-F690 HydrophobicContact CB-CE1 4.42Å; L686-F690 WeakPolarHBondContact O-CD1 3.38Å; L686-F690 WeakPolarHBondContact O-CE1 3.34Å; L686-V720 HydrophobicContact CD1-CG1 4.45Å; L686-F721 HydrophobicContact CD1-CE1 3.86Å; L686-F721 HydrophobicContact CD1-CZ 4.42Å; L686-F721 HydrophobicContact CD2-CE1 4.36Å; L686-A724 HydrophobicContact CD1-CB 3.82Å; L686-I728 HydrophobicContact CB-CD1 4.18Å; L686-I728 HydrophobicContact CD1-CD1 3.89Å
687	S	88.1	Confident	92.9	Very high	30 Å²	30	35.8 Å²	35.8	21%	0.21	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48	-33.1	173.9	37.4	0	0	0	0	114.5	N681 V684 P685 C689	N681-S687 WeakPolarHBondContact O-CB 3.41Å; V684-S687 WeakPolarHBondContact O-CB 3.38Å; V684-S687 PolarHBondContact O-N 2.86Å; V684-S687 VanDerWaalsContact O-N 3.16Å; V684-S687 PolarHBondContact O-OG 2.92Å; P685-S687 PolarHBondContact O-N 3.35Å; P685-S687 VanDerWaalsContact O-N 3.12Å; S687-C689 PolarHBondContact O-N 3.43Å
688	N	89.9	Confident	92.9	Very high	98 Å²	98	35.8 Å²	35.8	52%	0.524	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	2.8	-179.9	68.5	-23.8	0	0	0	114.3	L686 K718	L686-N688 PolarHBondContact O-N 3.1Å; N688-K718 VanDerWaalsContact O-CD 3.31Å; N688-K718 WeakPolarHBondContact O-CD 3.1Å; N688-K718 WeakPolarHBondContact O-CE 3.4Å; N688-K718 PolarHBondContact O-NZ 3.35Å
689	C	92.4	Very high	92.8	Very high	12 Å²	12	33.8 Å²	33.8	8%	0.081	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-18.2	-179.1	-63	0	0	0	0	114.3	L686 S687 Y716 E717 K718 V720	L686-C689 WeakPolarHBondContact O-CB 3.46Å; L686-C689 PolarHBondContact O-N 2.99Å; S687-C689 PolarHBondContact O-N 3.43Å; C689-Y716 CarbonylContact O-C 3.44Å; C689-Y716 WeakPolarHBondContact O-CA 3.08Å; C689-E717 PolarHBondContact O-N 3.41Å; C689-K718 HydrophobicContact CB-CB 4.04Å; C689-K718 PolarHBondContact O-N 3.14Å; C689-V720 HydrophobicContact CB-CG1 3.71Å
690	F	94.3	Very high	92.8	Very high	18 Å²	18	33.9 Å²	33.9	8%	0.079	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	158.2	-175.6	74.7	-87	0	0	0	113	L686 V714 I715 Y716 I728	L686-F690 HydrophobicContact CB-CE1 4.42Å; L686-F690 WeakPolarHBondContact O-CD1 3.38Å; L686-F690 WeakPolarHBondContact O-CE1 3.34Å; F690-V714 HydrophobicContact CB-CG1 4.19Å; F690-V714 HydrophobicContact CD2-CG1 3.89Å; F690-V714 HydrophobicContact CG-CG1 4.34Å; F690-I715 CarbonylContact C-O 3.59Å; F690-I715 WeakPolarHBondContact CA-O 3.18Å; F690-I715 WeakPolarHBondContact CB-O 3.38Å; F690-Y716 HydrophobicContact CB-CD1 3.81Å; F690-Y716 HydrophobicContact CB-CE1 3.91Å; F690-Y716 HydrophobicContact CB-CG 4.33Å; F690-I728 HydrophobicContact CD1-CD1 3.91Å; F690-I728 HydrophobicContact CD1-CG1 4.4Å; F690-I728 HydrophobicContact CD1-CG2 3.82Å; F690-I728 HydrophobicContact CD2-CG2 3.8Å; F690-I728 HydrophobicContact CE1-CD1 4.02Å; F690-I728 HydrophobicContact CE1-CG1 4.09Å; F690-I728 HydrophobicContact CE1-CG2 3.74Å; F690-I728 HydrophobicContact CE2-CG2 3.72Å; F690-I728 HydrophobicContact CG-CG2 3.86Å; F690-I728 HydrophobicContact CZ-CG2 3.68Å
691	Y	95.2	Very high	92.8	Very high	42 Å²	42	33.3 Å²	33.3	17%	0.165	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	166.8	169.5	65.8	-88.9	0	0	0	110.3	K678 V693 I715 E717	K678-Y691 HydrophobicContact CD-CD2 3.65Å; K678-Y691 HydrophobicContact CD-CE2 3.56Å; K678-Y691 HydrophobicContact CD-CG 4.24Å; K678-Y691 VanDerWaalsContact CE-CD2 3.44Å; K678-Y691 VanDerWaalsContact CE-CG 3.49Å; K678-Y691 HydrophobicContact CG-CD2 3.61Å; K678-Y691 HydrophobicContact CG-CE2 3.92Å; K678-Y691 HydrophobicContact CG-CG 4.34Å; Y691-V693 HydrophobicContact CD2-CG2 3.78Å; Y691-V693 HydrophobicContact CE2-CG2 3.35Å; Y691-I715 HydrophobicContact CD1-CB 4.26Å; Y691-I715 HydrophobicContact CD1-CG2 4.44Å; Y691-I715 HydrophobicContact CD2-CB 4.35Å; Y691-I715 HydrophobicContact CE1-CB 3.87Å; Y691-I715 HydrophobicContact CE1-CG2 3.66Å; Y691-I715 HydrophobicContact CE2-CB 4.02Å; Y691-I715 HydrophobicContact CE2-CD1 3.92Å; Y691-I715 HydrophobicContact CE2-CG1 4.35Å; Y691-I715 HydrophobicContact CE2-CG2 4.41Å; Y691-I715 HydrophobicContact CG-CB 4.49Å; Y691-I715 PolarHBondContact N-O 2.9Å; Y691-I715 PolarHBondContact O-N 3.35Å; Y691-E717 HydrophobicContact CD1-CG 3.69Å; Y691-E717 WeakPolarHBondContact CD1-OE1 3.22Å; Y691-E717 HydrophobicContact CE1-CG 3.5Å; Y691-E717 VanDerWaalsContact CE1-CG 3.5Å; Y691-E717 WeakPolarHBondContact CE1-OE1 3.24Å
692	V	96.6	Very high	92.7	Very high	8 Å²	8	34.7 Å²	34.7	5%	0.048	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	139.7	175.2	-177.7	0	0	0	0	109.1	K678 V679 Q713 L736	K678-V692 CarbonylContact C-O 3.56Å; K678-V692 WeakPolarHBondContact CA-O 3.33Å; V679-V692 HydrophobicContact CB-CB 4.48Å; V679-V692 PolarHBondContact N-O 2.97Å; V679-V692 PolarHBondContact O-N 2.92Å; V692-Q713 WeakPolarHBondContact CA-O 3.46Å; V692-L736 HydrophobicContact CG1-CD1 3.98Å; V692-L736 HydrophobicContact CG1-CD2 4.17Å
693	V	97.1	Very high	92.7	Very high	22 Å²	22	38.5 Å²	38.5	13%	0.133	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	129.5	166.2	179.6	0	0	0	0	108.8	A677 Y691 S712 Q713 I715	A677-V693 CarbonylContact O-C 3.56Å; A677-V693 VanDerWaalsContact O-CA 3.32Å; A677-V693 WeakPolarHBondContact O-CA 3.24Å; Y691-V693 HydrophobicContact CD2-CG2 3.78Å; Y691-V693 HydrophobicContact CE2-CG2 3.35Å; V693-S712 CarbonylContact O-C 3.51Å; V693-S712 WeakPolarHBondContact O-CA 3.46Å; V693-S712 WeakPolarHBondContact O-CB 3.37Å; V693-Q713 PolarHBondContact N-O 3.31Å; V693-Q713 PolarHBondContact O-N 2.74Å; V693-I715 HydrophobicContact CB-CD1 4.33Å; V693-I715 HydrophobicContact CG2-CD1 3.61Å; V693-I715 HydrophobicContact CG2-CG1 4.36Å
694	S	97.7	Very high	92.9	Very high	4 Å²	4	37 Å²	37	3%	0.028	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	117.5	175.5	-53.1	0	0	0	0	109.4	A677 S712	A677-S694 PolarHBondContact N-O 2.94Å; A677-S694 PolarHBondContact O-N 2.98Å; S694-S712 WeakPolarHBondContact CB-OG 3.49Å; S694-S712 PolarHBondContact OG-OG 3.39Å
695	R	97.5	Very high	93.4	Very high	34 Å²	34	37.4 Å²	37.4	13%	0.128	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	115.5	177	176	166.2	-73	-164.9	-11.8	110.1	D568 P570 I674 D676 V710 S711	D568-R695 WeakPolarHBondContact O-CD 3.33Å; D568-R695 PolarHBondContact O-NH1 2.67Å; P570-R695 HydrophobicContact CG-CB 3.8Å; I674-R695 HydrophobicContact CG2-CG 4.48Å; D676-R695 VanDerWaalsContact OD1-CB 3.28Å; D676-R695 WeakPolarHBondContact OD1-CB 3.29Å; D676-R695 WeakPolarHBondContact OD1-CG 3.37Å; D676-R695 IonicContact OD1-CZ 3.67Å; D676-R695 IonicContact OD1-NE 3.61Å; D676-R695 PolarHBondContact OD1-NE 3.26Å; D676-R695 IonicContact OD1-NH2 3.61Å; D676-R695 PolarHBondContact OD1-NH2 3.16Å; D676-R695 IonicContact OD2-CZ 3.81Å; D676-R695 IonicContact OD2-NE 2.81Å; D676-R695 IonicContact OD2-NH2 3.9Å; D676-R695 PolarHBondContact OD2-NH2 2.73Å; R695-V710 WeakPolarHBondContact O-CA 3.38Å; R695-S711 PolarHBondContact N-O 3.11Å; R695-S711 PolarHBondContact O-N 2.96Å; R695-S711 VanDerWaalsContact O-N 3.08Å
696	Y	97.8	Very high	94	Very high	13 Å²	13	33 Å²	33	5%	0.051	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	130.5	178	-63.5	-102.6	0	0	0	110.4	F591 I674 I675 A677 V710 F740	F591-Y696 HydrophobicContact CE1-CD2 4.41Å; F591-Y696 HydrophobicContact CE1-CG 4.45Å; F591-Y696 AromaticContact CZ-CD1 3.78Å; F591-Y696 HydrophobicContact CZ-CD1 3.78Å; F591-Y696 HydrophobicContact CZ-CD2 4.07Å; F591-Y696 HydrophobicContact CZ-CE1 4.25Å; F591-Y696 AromaticContact CZ-CG 3.67Å; F591-Y696 HydrophobicContact CZ-CG 3.67Å; I674-Y696 WeakPolarHBondContact CA-O 3.39Å; I675-Y696 PolarHBondContact N-O 2.96Å; I675-Y696 PolarHBondContact O-N 3.25Å; A677-Y696 HydrophobicContact CB-CD2 4.46Å; A677-Y696 HydrophobicContact CB-CE2 3.89Å; Y696-V710 HydrophobicContact CD1-CB 4.44Å; Y696-V710 HydrophobicContact CD1-CG1 3.97Å; Y696-V710 HydrophobicContact CD1-CG2 3.54Å; Y696-V710 HydrophobicContact CE1-CG1 4.11Å; Y696-V710 HydrophobicContact CE1-CG2 4.07Å; Y696-V710 HydrophobicContact CG-CG1 4.2Å; Y696-V710 HydrophobicContact CG-CG2 4.24Å; Y696-F740 AromaticContact CE1-CE1 3.68Å; Y696-F740 HydrophobicContact CE1-CE1 3.68Å; Y696-F740 HydrophobicContact CE1-CZ 4.33Å; Y696-F740 AromaticContact CZ-CE1 3.83Å
697	C	97.2	Very high	94.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	105.3	179.4	-50.3	0	0	0	0	108.2	H567 I674 L699 H709	H567-C697 PolarHBondContact NE2-SG 2.71Å; H567-C697 VanDerWaalsContact NE2-SG 3.38Å; I674-C697 HydrophobicContact CD1-CB 3.83Å; C697-L699 HydrophobicContact CB-CD2 4.19Å; C697-H709 WeakPolarHBondContact CA-O 3.12Å; C697-H709 HydrophobicContact CB-CB 4.16Å; C697-H709 WeakPolarHBondContact CB-O 3.28Å; C697-H709 PolarHBondContact N-O 3.46Å; C697-H709 PolarHBondContact O-N 3.48Å
698	L	97.1	Very high	94.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	111.9	179.7	-62.1	70.4	0	0	0	107	V583 L586 F587 F591 R672 Y673	V583-L698 HydrophobicContact CG2-CB 3.94Å; L586-L698 HydrophobicContact CB-CD2 4.43Å; L586-L698 HydrophobicContact CD2-CB 4.25Å; L586-L698 HydrophobicContact CD2-CD2 4.19Å; L586-L698 HydrophobicContact CD2-CG 4.08Å; L586-L698 HydrophobicContact CG-CD2 3.97Å; L586-L698 HydrophobicContact CG-CG 4.37Å; F587-L698 HydrophobicContact CB-CD2 3.94Å; F587-L698 HydrophobicContact CD2-CD2 4.48Å; F591-L698 HydrophobicContact CD2-CD2 4.17Å; F591-L698 HydrophobicContact CE2-CD1 3.83Å; F591-L698 HydrophobicContact CE2-CD2 4.02Å; F591-L698 HydrophobicContact CE2-CG 4.49Å; F591-L698 HydrophobicContact CZ-CD1 4.46Å; R672-L698 CarbonylContact C-O 3.51Å; R672-L698 VanDerWaalsContact CA-O 3.28Å; R672-L698 WeakPolarHBondContact CA-O 3.45Å; Y673-L698 PolarHBondContact N-O 3.02Å; Y673-L698 PolarHBondContact O-N 2.81Å
699	L	96.6	Very high	95.3	Very high	8 Å²	8	29.5 Å²	29.5	4%	0.042	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	133.1	-170.7	-41.3	174.6	0	0	0	110.7	I561 R672 C697 V701 S706 R707	I561-L699 WeakPolarHBondContact O-CB 3.44Å; R672-L699 HydrophobicContact CG-CD2 3.74Å; C697-L699 HydrophobicContact CB-CD2 4.19Å; L699-V701 PolarHBondContact O-N 3.45Å; L699-S706 CarbonylContact O-C 3.55Å; L699-S706 WeakPolarHBondContact O-CA 3.47Å; L699-S706 WeakPolarHBondContact O-CB 3.49Å; L699-R707 HydrophobicContact CB-CB 4.18Å; L699-R707 HydrophobicContact CD1-CB 4.39Å; L699-R707 PolarHBondContact N-O 3.21Å; L699-R707 PolarHBondContact O-N 3.27Å
700	Y	95.8	Very high	95.6	Very high	22 Å²	22	29 Å²	29	9%	0.086	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	130.4	170.4	174.4	-88.2	0	0	0	110.8	E558 I561 K671 N702 R703	E558-Y700 HydrophobicContact CB-CE1 4.18Å; E558-Y700 HydrophobicContact CG-CE1 4.02Å; I561-Y700 HydrophobicContact CD1-CD1 4.34Å; I561-Y700 HydrophobicContact CG1-CD1 4.31Å; I561-Y700 PolarHBondContact N-O 2.99Å; K671-Y700 VanDerWaalsContact O-CB 3.28Å; K671-Y700 WeakPolarHBondContact O-CB 3.3Å; K671-Y700 PolarHBondContact O-N 2.85Å; Y700-N702 WeakPolarHBondContact CE2-O 3.48Å; Y700-N702 VanDerWaalsContact CZ-C 3.41Å; Y700-R703 PolarHBondContact OH-N 3.3Å
701	V	94.8	Very high	95.7	Very high	24 Å²	24	28.1 Å²	28.1	15%	0.145	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	-47.6	173	174.4	0	0	0	0	110.1	P560 L699 T705 R707	P560-V701 HydrophobicContact CB-CG1 4.4Å; P560-V701 HydrophobicContact CG-CG1 4.42Å; L699-V701 PolarHBondContact O-N 3.45Å; V701-T705 PolarHBondContact N-O 2.96Å; V701-R707 HydrophobicContact CG2-CB 3.83Å
702	N	92.1	Very high	95.8	Very high	62 Å²	62	26.2 Å²	26.2	33%	0.332	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	-171.4	164.2	65.6	57.7	0	0	0	109.4	Y700 T704 T705	Y700-N702 WeakPolarHBondContact CE2-O 3.48Å; Y700-N702 VanDerWaalsContact CZ-C 3.41Å; N702-T704 VanDerWaalsContact C-N 3.27Å; N702-T704 PolarHBondContact O-N 3.23Å; N702-T704 PolarHBondContact OD1-N 2.89Å; N702-T704 PolarHBondContact OD1-OG1 2.84Å; N702-T705 PolarHBondContact N-O 3.21Å; N702-T705 VanDerWaalsContact N-O 3.08Å; N702-T705 PolarHBondContact ND2-OG1 2.83Å; N702-T705 PolarHBondContact OD1-N 3.37Å
703	R	88.7	Confident	95.8	Very high	172 Å²	172	30.1 Å²	30.1	65%	0.649	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-37.1	-178.9	-71.9	-174.5	173.3	-177.3	-1.2	113.7	N582 Y700 L760	N582-R703 WeakPolarHBondContact CB-O 3.45Å; N582-R703 PolarHBondContact ND2-O 3.23Å; Y700-R703 PolarHBondContact OH-N 3.3Å; R703-L760 HydrophobicContact CB-CD2 4.07Å; R703-L760 VanDerWaalsContact O-CD2 3.25Å; R703-L760 WeakPolarHBondContact O-CD2 3.43Å
704	T	89.1	Confident	95.7	Very high	40 Å²	40	30 Å²	30	25%	0.245	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	1.6	-172.3	62	0	0	0	0	114.4	P580 L581 N702 L756 R759 L760	P580-T704 CarbonylContact C-O 3.59Å; P580-T704 VanDerWaalsContact O-O 3.07Å; L581-T704 PolarHBondContact N-O 3.43Å; N702-T704 VanDerWaalsContact C-N 3.27Å; N702-T704 PolarHBondContact O-N 3.23Å; N702-T704 PolarHBondContact OD1-N 2.89Å; N702-T704 PolarHBondContact OD1-OG1 2.84Å; T704-L756 HydrophobicContact CG2-CD1 3.53Å; T704-R759 PolarHBondContact O-NH2 2.72Å; T704-L760 HydrophobicContact CG2-CD2 4Å
705	T	93.9	Very high	95.6	Very high	31 Å²	31	32.3 Å²	32.3	19%	0.19	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	147.7	173.7	76.5	0	0	0	0	112.7	I579 L581 V701 N702	I579-T705 VanDerWaalsContact O-CA 3.31Å; I579-T705 WeakPolarHBondContact O-CA 3.34Å; L581-T705 CarbonylContact O-C 3.53Å; L581-T705 WeakPolarHBondContact O-CA 3.42Å; V701-T705 PolarHBondContact N-O 2.96Å; N702-T705 PolarHBondContact N-O 3.21Å; N702-T705 VanDerWaalsContact N-O 3.08Å; N702-T705 PolarHBondContact ND2-OG1 2.83Å; N702-T705 PolarHBondContact OD1-N 3.37Å
706	S	95.9	Very high	95.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	148.4	176.5	49.2	0	0	0	0	110.5	I579 L581 L586 L699	I579-S706 PolarHBondContact N-O 3.37Å; I579-S706 PolarHBondContact O-N 2.93Å; L581-S706 WeakPolarHBondContact O-CB 3.31Å; L581-S706 PolarHBondContact O-N 2.89Å; L581-S706 PolarHBondContact O-OG 2.85Å; L586-S706 WeakPolarHBondContact CD2-OG 3.37Å; L699-S706 CarbonylContact O-C 3.55Å; L699-S706 WeakPolarHBondContact O-CA 3.47Å; L699-S706 WeakPolarHBondContact O-CB 3.49Å
707	R	96.9	Very high	95.1	Very high	91 Å²	91	38.3 Å²	38.3	34%	0.343	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	123.3	178.8	-172.9	160.1	-67.5	172.4	1	109.6	D578 L699 V701	D578-R707 VanDerWaalsContact OD1-CB 3.3Å; D578-R707 WeakPolarHBondContact OD1-CB 3.49Å; D578-R707 IonicContact OD1-CZ 3.51Å; D578-R707 IonicContact OD1-NE 2.7Å; D578-R707 PolarHBondContact OD1-NE 2.92Å; D578-R707 IonicContact OD1-NH2 3.51Å; D578-R707 PolarHBondContact OD1-NH2 3.22Å; D578-R707 VanDerWaalsContact OD1-NH2 3.15Å; D578-R707 IonicContact OD2-CZ 2.73Å; D578-R707 IonicContact OD2-NE 3.66Å; D578-R707 IonicContact OD2-NH2 2.73Å; D578-R707 PolarHBondContact OD2-NH2 3.45Å; L699-R707 HydrophobicContact CB-CB 4.18Å; L699-R707 HydrophobicContact CD1-CB 4.39Å; L699-R707 PolarHBondContact N-O 3.21Å; L699-R707 PolarHBondContact O-N 3.27Å; V701-R707 HydrophobicContact CG2-CB 3.83Å
708	L	97.6	Very high	94.8	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	110.2	166.8	179.9	60.5	0	0	0	108.1	N576 T577 I579 L586 I590 V710 L747	N576-L708 WeakPolarHBondContact CA-O 3.24Å; T577-L708 PolarHBondContact N-O 3.44Å; T577-L708 PolarHBondContact O-N 2.98Å; I579-L708 HydrophobicContact CG1-CB 3.88Å; L586-L708 HydrophobicContact CD2-CB 4.25Å; I590-L708 HydrophobicContact CD1-CD1 4.06Å; I590-L708 HydrophobicContact CD1-CD2 4.14Å; L708-V710 HydrophobicContact CD1-CG2 3.73Å; L708-V710 HydrophobicContact CG-CG2 3.98Å; L708-L747 HydrophobicContact CD2-CD1 3.83Å
709	H	97.3	Very high	94.4	Very high	16 Å²	16	48.3 Å²	48.3	7%	0.074	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.9	170.6	178.1	-77.2	0	0	0	109.7	H569 A575 C697	H569-H709 AromaticContact CD2-CE1 3.63Å; H569-H709 AromaticContact CE1-CE1 3.36Å; H569-H709 PolarHBondContact CE1-CE1 2.97Å; H569-H709 AromaticContact CE1-ND1 3.33Å; H569-H709 PolarHBondContact CE1-ND1 3Å; H569-H709 VanDerWaalsContact CE1-ND1 3.33Å; H569-H709 AromaticContact CG-CE1 3.54Å; H569-H709 AromaticContact ND1-CE1 3.37Å; H569-H709 PolarHBondContact ND1-CE1 2.92Å; H569-H709 AromaticContact ND1-ND1 3.59Å; H569-H709 AromaticContact NE2-CE1 3.54Å; H569-H709 AromaticContact NE2-ND1 3.83Å; A575-H709 CarbonylContact O-C 3.39Å; A575-H709 VanDerWaalsContact O-CA 3.29Å; A575-H709 WeakPolarHBondContact O-CA 3.38Å; C697-H709 WeakPolarHBondContact CA-O 3.12Å; C697-H709 HydrophobicContact CB-CB 4.16Å; C697-H709 WeakPolarHBondContact CB-O 3.28Å; C697-H709 PolarHBondContact N-O 3.46Å; C697-H709 PolarHBondContact O-N 3.48Å
710	V	97.9	Very high	94	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	126.5	-178.1	-168.5	0	0	0	0	110.8	Y574 A575 R695 Y696 L708 F740	Y574-V710 PolarHBondContact N-O 3.4Å; A575-V710 HydrophobicContact CB-CB 4.19Å; A575-V710 HydrophobicContact CB-CG2 4.15Å; A575-V710 PolarHBondContact N-O 2.71Å; A575-V710 PolarHBondContact O-N 3.24Å; R695-V710 WeakPolarHBondContact O-CA 3.38Å; Y696-V710 HydrophobicContact CD1-CB 4.44Å; Y696-V710 HydrophobicContact CD1-CG1 3.97Å; Y696-V710 HydrophobicContact CD1-CG2 3.54Å; Y696-V710 HydrophobicContact CE1-CG1 4.11Å; Y696-V710 HydrophobicContact CE1-CG2 4.07Å; Y696-V710 HydrophobicContact CG-CG1 4.2Å; Y696-V710 HydrophobicContact CG-CG2 4.24Å; L708-V710 HydrophobicContact CD1-CG2 3.73Å; L708-V710 HydrophobicContact CG-CG2 3.98Å; V710-F740 HydrophobicContact CB-CD1 4.46Å; V710-F740 HydrophobicContact CB-CE1 4.3Å; V710-F740 HydrophobicContact CG1-CD1 4.28Å; V710-F740 HydrophobicContact CG1-CE1 3.67Å; V710-F740 HydrophobicContact CG1-CE2 4.15Å; V710-F740 HydrophobicContact CG1-CZ 3.59Å; V710-F740 HydrophobicContact CG2-CE1 4.38Å
711	S	97.5	Very high	93.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	131.7	177.5	55.4	0	0	0	0	110.6	H569 P570 R572 R695	H569-S711 WeakPolarHBondContact CA-OG 3.21Å; P570-S711 WeakPolarHBondContact CD-OG 2.95Å; P570-S711 CarbonylContact O-C 3.6Å; P570-S711 VanDerWaalsContact O-C 3.28Å; R572-S711 CarbonylContact O-C 3.58Å; R572-S711 VanDerWaalsContact O-CA 3.25Å; R572-S711 WeakPolarHBondContact O-CA 3.42Å; R695-S711 PolarHBondContact N-O 3.11Å; R695-S711 PolarHBondContact O-N 2.96Å; R695-S711 VanDerWaalsContact O-N 3.08Å
712	S	97.7	Very high	92.6	Very high	3 Å²	3	63.9 Å²	63.9	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	145.5	-174.9	-40	0	0	0	0	114	P570 G571 R572 V693 S694	P570-S712 CarbonylContact O-C 3.55Å; P570-S712 VanDerWaalsContact O-C 3.3Å; P570-S712 PolarHBondContact O-N 2.92Å; P570-S712 VanDerWaalsContact O-N 3.15Å; G571-S712 WeakPolarHBondContact CA-O 3.44Å; R572-S712 PolarHBondContact N-O 2.94Å; R572-S712 PolarHBondContact O-N 2.92Å; V693-S712 CarbonylContact O-C 3.51Å; V693-S712 WeakPolarHBondContact O-CA 3.46Å; V693-S712 WeakPolarHBondContact O-CB 3.37Å; S694-S712 WeakPolarHBondContact CB-OG 3.49Å; S694-S712 PolarHBondContact OG-OG 3.39Å
713	Q	95.8	Very high	92.1	Very high	89 Å²	89	62.4 Å²	62.4	42%	0.416	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	143.1	-177.9	-168.3	172.1	4.4	0	0	112.1	P570 V692 V693 I715	P570-Q713 HydrophobicContact CB-CB 4.28Å; V692-Q713 WeakPolarHBondContact CA-O 3.46Å; V693-Q713 PolarHBondContact N-O 3.31Å; V693-Q713 PolarHBondContact O-N 2.74Å; Q713-I715 HydrophobicContact CG-CG1 4.47Å
714	V	96	Very high	92.1	Very high	20 Å²	20	54.4 Å²	54.4	12%	0.121	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	126.3	166.9	-174.9	0	0	0	0	109	F690 Y716 I728 E729 C732	F690-V714 HydrophobicContact CB-CG1 4.19Å; F690-V714 HydrophobicContact CD2-CG1 3.89Å; F690-V714 HydrophobicContact CG-CG1 4.34Å; V714-Y716 HydrophobicContact CB-CE2 4.37Å; V714-Y716 HydrophobicContact CG1-CD2 4.37Å; V714-Y716 HydrophobicContact CG1-CE2 3.71Å; V714-I728 HydrophobicContact CG1-CG2 4.2Å; V714-E729 HydrophobicContact CB-CG 4.3Å; V714-E729 HydrophobicContact CG2-CG 4.33Å; V714-C732 HydrophobicContact CG2-CB 3.68Å
715	I	94.8	Very high	92.1	Very high	53 Å²	53	57.4 Å²	57.4	27%	0.272	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	134.2	179.3	-56.4	-174.2	0	0	0	109.1	F690 Y691 V693 Q713	F690-I715 CarbonylContact C-O 3.59Å; F690-I715 WeakPolarHBondContact CA-O 3.18Å; F690-I715 WeakPolarHBondContact CB-O 3.38Å; Y691-I715 HydrophobicContact CD1-CB 4.26Å; Y691-I715 HydrophobicContact CD1-CG2 4.44Å; Y691-I715 HydrophobicContact CD2-CB 4.35Å; Y691-I715 HydrophobicContact CE1-CB 3.87Å; Y691-I715 HydrophobicContact CE1-CG2 3.66Å; Y691-I715 HydrophobicContact CE2-CB 4.02Å; Y691-I715 HydrophobicContact CE2-CD1 3.92Å; Y691-I715 HydrophobicContact CE2-CG1 4.35Å; Y691-I715 HydrophobicContact CE2-CG2 4.41Å; Y691-I715 HydrophobicContact CG-CB 4.49Å; Y691-I715 PolarHBondContact N-O 2.9Å; Y691-I715 PolarHBondContact O-N 3.35Å; V693-I715 HydrophobicContact CB-CD1 4.33Å; V693-I715 HydrophobicContact CG2-CD1 3.61Å; V693-I715 HydrophobicContact CG2-CG1 4.36Å; Q713-I715 HydrophobicContact CG-CG1 4.47Å
716	Y	94.6	Very high	91.8	Very high	55 Å²	55	59 Å²	59	22%	0.216	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	114.3	-177.9	-69	-92.5	0	0	0	110.4	C689 F690 V714 V720 K725 I728 E729	C689-Y716 CarbonylContact O-C 3.44Å; C689-Y716 WeakPolarHBondContact O-CA 3.08Å; F690-Y716 HydrophobicContact CB-CD1 3.81Å; F690-Y716 HydrophobicContact CB-CE1 3.91Å; F690-Y716 HydrophobicContact CB-CG 4.33Å; V714-Y716 HydrophobicContact CB-CE2 4.37Å; V714-Y716 HydrophobicContact CG1-CD2 4.37Å; V714-Y716 HydrophobicContact CG1-CE2 3.71Å; Y716-V720 HydrophobicContact CD1-CG1 3.95Å; Y716-V720 HydrophobicContact CD1-CG2 4.15Å; Y716-V720 HydrophobicContact CE1-CG1 3.99Å; Y716-V720 HydrophobicContact CE1-CG2 3.89Å; Y716-K725 HydrophobicContact CE2-CD 4.31Å; Y716-K725 HydrophobicContact CE2-CG 4.09Å; Y716-K725 PolarHBondContact OH-O 2.82Å; Y716-I728 HydrophobicContact CE1-CD1 3.97Å; Y716-I728 HydrophobicContact CE1-CG2 4.38Å; Y716-I728 WeakPolarHBondContact OH-CB 3.31Å; Y716-I728 WeakPolarHBondContact OH-CG2 3.42Å; Y716-E729 HydrophobicContact CE2-CG 4.41Å
717	E	91.2	Very high	91.5	Very high	118 Å²	118	64.2 Å²	64.2	55%	0.551	32%	0.319	S	S	*	.	S	Bend	trans	-81.8	-24.4	173.2	-66.1	-178.6	177.4	0	0	111.8	K678 C689 Y691	K678-E717 IonicContact NZ-OE1 2.69Å; K678-E717 PolarHBondContact NZ-OE1 3.31Å; C689-E717 PolarHBondContact O-N 3.41Å; Y691-E717 HydrophobicContact CD1-CG 3.69Å; Y691-E717 WeakPolarHBondContact CD1-OE1 3.22Å; Y691-E717 HydrophobicContact CE1-CG 3.5Å; Y691-E717 VanDerWaalsContact CE1-CG 3.5Å; Y691-E717 WeakPolarHBondContact CE1-OE1 3.24Å
718	K	90.7	Very high	91.2	Very high	102 Å²	102	60.5 Å²	60.5	44%	0.443	31%	0.306	S	S	.	.	S	Bend	trans	-133.5	149.7	-179.1	-56.8	-178.4	-170.7	140.4	0	111.3	N688 C689 V720	N688-K718 VanDerWaalsContact O-CD 3.31Å; N688-K718 WeakPolarHBondContact O-CD 3.1Å; N688-K718 WeakPolarHBondContact O-CE 3.4Å; N688-K718 PolarHBondContact O-NZ 3.35Å; C689-K718 HydrophobicContact CB-CB 4.04Å; C689-K718 PolarHBondContact O-N 3.14Å; K718-V720 PolarHBondContact O-N 3.47Å
719	P	87.7	Confident	91	Very high	107 Å²	107	63.7 Å²	63.7	70%	0.695	32%	0.32	S	S	*	.			trans	-63.7	134	176.7	27.2	-34.9	0	0	0	111
720	V	88.3	Confident	90.7	Very high	34 Å²	34	66.6 Å²	66.6	21%	0.206	34%	0.337	C	S	.	.			trans	-104.7	154.5	171	-62.5	0	0	0	0	110.2	L686 C689 Y716 K718 A724 K725 I728	L686-V720 HydrophobicContact CD1-CG1 4.45Å; C689-V720 HydrophobicContact CB-CG1 3.71Å; Y716-V720 HydrophobicContact CD1-CG1 3.95Å; Y716-V720 HydrophobicContact CD1-CG2 4.15Å; Y716-V720 HydrophobicContact CE1-CG1 3.99Å; Y716-V720 HydrophobicContact CE1-CG2 3.89Å; K718-V720 PolarHBondContact O-N 3.47Å; V720-A724 HydrophobicContact CB-CB 3.99Å; V720-A724 HydrophobicContact CG2-CB 4.19Å; V720-K725 HydrophobicContact CG2-CB 3.88Å; V720-I728 HydrophobicContact CG1-CD1 4.14Å
721	F	82.9	Confident	90.3	Very high	134 Å²	134	71.2 Å²	71.2	59%	0.588	37%	0.365	S	S	*	.			trans	-69.7	162.7	-178.6	60.5	-94.9	0	0	0	112.6	L686 G723 A724	L686-F721 HydrophobicContact CD1-CE1 3.86Å; L686-F721 HydrophobicContact CD1-CZ 4.42Å; L686-F721 HydrophobicContact CD2-CE1 4.36Å; F721-G723 PolarHBondContact O-N 2.76Å; F721-A724 HydrophobicContact CD1-CB 4.09Å; F721-A724 HydrophobicContact CD2-CB 3.86Å; F721-A724 HydrophobicContact CE1-CB 3.99Å; F721-A724 HydrophobicContact CE2-CB 3.75Å; F721-A724 HydrophobicContact CG-CB 4.03Å; F721-A724 HydrophobicContact CZ-CB 3.81Å; F721-A724 VanDerWaalsContact O-CB 3.28Å; F721-A724 WeakPolarHBondContact O-CB 3.47Å; F721-A724 PolarHBondContact O-N 3.29Å
722	F	78.3	Confident	90.1	Very high	214 Å²	214	72 Å²	72	94%	0.939	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	129.1	-177.9	-174.7	-97.1	0	0	0	111.4	A724	F722-A724 VanDerWaalsContact C-N 3.32Å; F722-A724 PolarHBondContact O-N 2.81Å
723	G	82.3	Confident	89.9	Confident	31 Å²	31	74.1 Å²	74.1	32%	0.32	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	-23.2	-174.4	0	0	0	0	0	115.6	F721 K725 S726 I727	F721-G723 PolarHBondContact O-N 2.76Å; G723-K725 VanDerWaalsContact C-N 3.33Å; G723-K725 PolarHBondContact O-N 2.79Å; G723-S726 PolarHBondContact O-OG 3.06Å; G723-S726 VanDerWaalsContact O-OG 3.13Å; G723-I727 WeakPolarHBondContact O-CG1 3.16Å
724	A	87.6	Confident	89.8	Confident	3 Å²	3	73.8 Å²	73.8	3%	0.025	39%	0.388	C	S	.	.	H	α-helix	trans	-63.8	-38.5	177.9	0	0	0	0	0	112.5	L686 V720 F721 F722 S726 I727 I728	L686-A724 HydrophobicContact CD1-CB 3.82Å; V720-A724 HydrophobicContact CB-CB 3.99Å; V720-A724 HydrophobicContact CG2-CB 4.19Å; F721-A724 HydrophobicContact CD1-CB 4.09Å; F721-A724 HydrophobicContact CD2-CB 3.86Å; F721-A724 HydrophobicContact CE1-CB 3.99Å; F721-A724 HydrophobicContact CE2-CB 3.75Å; F721-A724 HydrophobicContact CG-CB 4.03Å; F721-A724 HydrophobicContact CZ-CB 3.81Å; F721-A724 VanDerWaalsContact O-CB 3.28Å; F721-A724 WeakPolarHBondContact O-CB 3.47Å; F721-A724 PolarHBondContact O-N 3.29Å; F722-A724 VanDerWaalsContact C-N 3.32Å; F722-A724 PolarHBondContact O-N 2.81Å; A724-S726 PolarHBondContact O-N 2.95Å; A724-I727 PolarHBondContact O-N 2.75Å; A724-I728 WeakPolarHBondContact O-CG1 3.3Å; A724-I728 PolarHBondContact O-N 2.85Å
725	K	89.5	Confident	89.7	Confident	104 Å²	104	74.7 Å²	74.7	45%	0.452	40%	0.401	S	S	.	.	H	α-helix	trans	-56.9	-46.7	-177.7	179.4	170	-178.8	179.3	0	113	Y716 V720 G723 I728 E729	Y716-K725 HydrophobicContact CE2-CD 4.31Å; Y716-K725 HydrophobicContact CE2-CG 4.09Å; Y716-K725 PolarHBondContact OH-O 2.82Å; V720-K725 HydrophobicContact CG2-CB 3.88Å; G723-K725 VanDerWaalsContact C-N 3.33Å; G723-K725 PolarHBondContact O-N 2.79Å; K725-I728 PolarHBondContact O-N 3.13Å; K725-E729 WeakPolarHBondContact CE-OE1 3.29Å; K725-E729 WeakPolarHBondContact CE-OE2 3.41Å; K725-E729 IonicContact NZ-OE1 3.59Å; K725-E729 WeakPolarHBondContact O-CB 3.24Å; K725-E729 WeakPolarHBondContact O-CG 3.43Å; K725-E729 PolarHBondContact O-N 3.04Å
726	S	88.5	Confident	89.7	Confident	64 Å²	64	73.3 Å²	73.3	45%	0.448	39%	0.394	S	S	.	.	H	α-helix	trans	-72	-31.3	-179.6	45.5	0	0	0	0	112.6	G723 A724 N730	G723-S726 PolarHBondContact O-OG 3.06Å; G723-S726 VanDerWaalsContact O-OG 3.13Å; A724-S726 PolarHBondContact O-N 2.95Å; S726-N730 VanDerWaalsContact O-CB 3.25Å; S726-N730 WeakPolarHBondContact O-CB 3.48Å; S726-N730 PolarHBondContact O-N 2.92Å
727	I	89.1	Confident	89.7	Confident	110 Å²	110	72.6 Å²	72.6	56%	0.564	40%	0.397	S	S	*	.	H	α-helix	trans	-64.3	-51	172.2	-62.8	168	0	0	0	109.7	G723 A724 N730 T731	G723-I727 WeakPolarHBondContact O-CG1 3.16Å; A724-I727 PolarHBondContact O-N 2.75Å; I727-N730 PolarHBondContact O-N 3.47Å; I727-T731 WeakPolarHBondContact O-CB 3.43Å; I727-T731 PolarHBondContact O-N 3.44Å; I727-T731 PolarHBondContact O-OG1 3.37Å; I727-T731 VanDerWaalsContact O-OG1 3.13Å
728	I	91	Very high	89.9	Confident	13 Å²	13	69.6 Å²	69.6	7%	0.067	39%	0.385	C	S	.	.	H	α-helix	trans	-59	-50.4	178.1	-66.7	162.8	0	0	0	110.8	L686 F690 V714 Y716 V720 A724 K725 N730 T731 C732	L686-I728 HydrophobicContact CB-CD1 4.18Å; L686-I728 HydrophobicContact CD1-CD1 3.89Å; F690-I728 HydrophobicContact CD1-CD1 3.91Å; F690-I728 HydrophobicContact CD1-CG1 4.4Å; F690-I728 HydrophobicContact CD1-CG2 3.82Å; F690-I728 HydrophobicContact CD2-CG2 3.8Å; F690-I728 HydrophobicContact CE1-CD1 4.02Å; F690-I728 HydrophobicContact CE1-CG1 4.09Å; F690-I728 HydrophobicContact CE1-CG2 3.74Å; F690-I728 HydrophobicContact CE2-CG2 3.72Å; F690-I728 HydrophobicContact CG-CG2 3.86Å; F690-I728 HydrophobicContact CZ-CG2 3.68Å; V714-I728 HydrophobicContact CG1-CG2 4.2Å; Y716-I728 HydrophobicContact CE1-CD1 3.97Å; Y716-I728 HydrophobicContact CE1-CG2 4.38Å; Y716-I728 WeakPolarHBondContact OH-CB 3.31Å; Y716-I728 WeakPolarHBondContact OH-CG2 3.42Å; V720-I728 HydrophobicContact CG1-CD1 4.14Å; A724-I728 WeakPolarHBondContact O-CG1 3.3Å; A724-I728 PolarHBondContact O-N 2.85Å; K725-I728 PolarHBondContact O-N 3.13Å; I728-N730 VanDerWaalsContact C-N 3.35Å; I728-N730 PolarHBondContact O-N 2.81Å; I728-T731 PolarHBondContact O-N 3.25Å; I728-C732 WeakPolarHBondContact O-CB 3.19Å; I728-C732 PolarHBondContact O-N 3.17Å; I728-C732 PolarHBondContact O-SG 3.35Å; I728-C732 VanDerWaalsContact O-SG 3.38Å
729	E	92	Very high	90.1	Very high	67 Å²	67	67.1 Å²	67.1	31%	0.313	37%	0.374	S	S	.	.	H	α-helix	trans	-61.7	-40.1	-179.2	-78.2	172.6	171.9	0	0	112.3	V714 Y716 K725 H733	V714-E729 HydrophobicContact CB-CG 4.3Å; V714-E729 HydrophobicContact CG2-CG 4.33Å; Y716-E729 HydrophobicContact CE2-CG 4.41Å; K725-E729 WeakPolarHBondContact CE-OE1 3.29Å; K725-E729 WeakPolarHBondContact CE-OE2 3.41Å; K725-E729 IonicContact NZ-OE1 3.59Å; K725-E729 WeakPolarHBondContact O-CB 3.24Å; K725-E729 WeakPolarHBondContact O-CG 3.43Å; K725-E729 PolarHBondContact O-N 3.04Å; E729-H733 WeakPolarHBondContact O-CB 3.46Å; E729-H733 PolarHBondContact O-N 2.83Å
730	N	90.8	Very high	90.5	Very high	77 Å²	77	62.1 Å²	62.1	41%	0.412	34%	0.341	S	S	.	.	H	α-helix	trans	-69.3	-42.2	176.6	-72.8	-2.8	0	0	0	112.5	S726 I727 I728 H733 S734	S726-N730 VanDerWaalsContact O-CB 3.25Å; S726-N730 WeakPolarHBondContact O-CB 3.48Å; S726-N730 PolarHBondContact O-N 2.92Å; I727-N730 PolarHBondContact O-N 3.47Å; I728-N730 VanDerWaalsContact C-N 3.35Å; I728-N730 PolarHBondContact O-N 2.81Å; N730-H733 PolarHBondContact O-N 3.01Å; N730-S734 WeakPolarHBondContact O-CB 3.19Å; N730-S734 PolarHBondContact O-N 2.78Å
731	T	91.2	Very high	90.9	Very high	97 Å²	97	64 Å²	64	60%	0.595	35%	0.35	S	S	*	.	H	α-helix	trans	-65.2	-43.5	176.5	-62.3	0	0	0	0	111.5	I727 I728 G735	I727-T731 WeakPolarHBondContact O-CB 3.43Å; I727-T731 PolarHBondContact O-N 3.44Å; I727-T731 PolarHBondContact O-OG1 3.37Å; I727-T731 VanDerWaalsContact O-OG1 3.13Å; I728-T731 PolarHBondContact O-N 3.25Å; T731-G735 PolarHBondContact O-N 3.03Å; T731-G735 VanDerWaalsContact O-N 3.09Å
732	C	93	Very high	91.5	Very high	18 Å²	18	59 Å²	59	12%	0.122	33%	0.331	C	S	.	.	H	α-helix	trans	-61.9	-45.2	173.1	-73	0	0	0	0	111.6	V714 I728 S734 G735 L736	V714-C732 HydrophobicContact CG2-CB 3.68Å; I728-C732 WeakPolarHBondContact O-CB 3.19Å; I728-C732 PolarHBondContact O-N 3.17Å; I728-C732 PolarHBondContact O-SG 3.35Å; I728-C732 VanDerWaalsContact O-SG 3.38Å; C732-S734 PolarHBondContact O-N 3.47Å; C732-G735 PolarHBondContact O-N 2.85Å; C732-L736 HydrophobicContact CB-CD1 4.47Å; C732-L736 VanDerWaalsContact O-CB 3.32Å; C732-L736 WeakPolarHBondContact O-CB 3.44Å; C732-L736 WeakPolarHBondContact O-CD1 3.4Å; C732-L736 WeakPolarHBondContact O-CG 3.42Å; C732-L736 PolarHBondContact O-N 3.17Å
733	H	93.6	Very high	92.3	Very high	46 Å²	46	49 Å²	49	21%	0.213	29%	0.287	C	S	.	.	H	α-helix	trans	-60.8	-45.6	180	-179	43.7	0	0	0	112.4	R572 Y574 E729 N730 L736 S737	R572-H733 PolarHBondContact NH1-CD2 2.96Å; R572-H733 PolarHBondContact NH1-NE2 3.21Å; Y574-H733 AromaticContact CE1-CE1 3.9Å; Y574-H733 AromaticContact CE1-ND1 3.28Å; Y574-H733 VanDerWaalsContact CE1-ND1 3.28Å; Y574-H733 WeakPolarHBondContact CE1-ND1 3.13Å; Y574-H733 AromaticContact CZ-ND1 3.45Å; Y574-H733 WeakPolarHBondContact OH-CA 3.47Å; Y574-H733 PolarHBondContact OH-ND1 2.85Å; E729-H733 WeakPolarHBondContact O-CB 3.46Å; E729-H733 PolarHBondContact O-N 2.83Å; N730-H733 PolarHBondContact O-N 3.01Å; H733-L736 PolarHBondContact O-N 3.16Å; H733-S737 PolarHBondContact O-N 3.4Å
734	S	93.1	Very high	93	Very high	83 Å²	83	48.2 Å²	48.2	58%	0.58	28%	0.276	S	S	*	.	H	α-helix	trans	-61.2	-45.8	175.9	176.2	0	0	0	0	112.3	N730 C732 D738	N730-S734 WeakPolarHBondContact O-CB 3.19Å; N730-S734 PolarHBondContact O-N 2.78Å; C732-S734 PolarHBondContact O-N 3.47Å; S734-D738 WeakPolarHBondContact O-CB 3.16Å; S734-D738 PolarHBondContact O-N 3.23Å; S734-D738 VanDerWaalsContact O-N 3.13Å
735	G	93	Very high	93.4	Very high	38 Å²	38	53 Å²	53	39%	0.392	30%	0.3	S	S	.	.	H	α-helix	trans	-67.4	-34.3	178.5	0	0	0	0	0	114	T731 C732 F739	T731-G735 PolarHBondContact O-N 3.03Å; T731-G735 VanDerWaalsContact O-N 3.09Å; C732-G735 PolarHBondContact O-N 2.85Å; G735-F739 WeakPolarHBondContact O-CB 3.42Å; G735-F739 PolarHBondContact O-N 3.09Å; G735-F739 VanDerWaalsContact O-N 3.1Å
736	L	95.3	Very high	93.7	Very high	24 Å²	24	50.7 Å²	50.7	13%	0.126	29%	0.29	C	S	.	.	H	α-helix	trans	-73.2	-38.9	177.6	-71.2	164.7	0	0	0	112	Y574 V692 C732 H733 F739 F740	Y574-L736 HydrophobicContact CD1-CB 3.82Å; Y574-L736 HydrophobicContact CE1-CB 3.38Å; Y574-L736 HydrophobicContact CE1-CD1 4.45Å; Y574-L736 HydrophobicContact CE2-CB 4.34Å; Y574-L736 HydrophobicContact CE2-CD1 4.21Å; Y574-L736 HydrophobicContact CG-CB 4.44Å; V692-L736 HydrophobicContact CG1-CD1 3.98Å; V692-L736 HydrophobicContact CG1-CD2 4.17Å; C732-L736 HydrophobicContact CB-CD1 4.47Å; C732-L736 VanDerWaalsContact O-CB 3.32Å; C732-L736 WeakPolarHBondContact O-CB 3.44Å; C732-L736 WeakPolarHBondContact O-CD1 3.4Å; C732-L736 WeakPolarHBondContact O-CG 3.42Å; C732-L736 PolarHBondContact O-N 3.17Å; H733-L736 PolarHBondContact O-N 3.16Å; L736-F739 PolarHBondContact O-N 3.31Å; L736-F740 HydrophobicContact CB-CD2 4.36Å; L736-F740 HydrophobicContact CB-CE2 4.4Å; L736-F740 HydrophobicContact CD2-CE2 3.88Å; L736-F740 WeakPolarHBondContact O-CB 3.43Å; L736-F740 WeakPolarHBondContact O-CD2 3.27Å; L736-F740 PolarHBondContact O-N 3.19Å
737	S	95.2	Very high	94	Very high	40 Å²	40	47.7 Å²	47.7	28%	0.28	27%	0.269	S	S	.	.	H	α-helix	trans	-62.6	-56.5	173.2	-150.3	0	0	0	0	110.3	H733 F739 F740 D741	H733-S737 PolarHBondContact O-N 3.4Å; S737-F739 CarbonylContact O-C 3.56Å; S737-F739 PolarHBondContact O-N 2.88Å; S737-F740 PolarHBondContact O-N 3.36Å; S737-D741 WeakPolarHBondContact CB-OD2 3.39Å; S737-D741 VanDerWaalsContact O-CB 3.31Å; S737-D741 WeakPolarHBondContact O-CB 3.25Å; S737-D741 VanDerWaalsContact O-CG 3.26Å; S737-D741 PolarHBondContact O-N 2.71Å; S737-D741 PolarHBondContact OG-OD2 2.9Å
738	D	94.5	Very high	94.2	Very high	56 Å²	56	46.5 Å²	46.5	30%	0.299	26%	0.26	S	S	.	.	H	α-helix	trans	-50.6	-35.6	177.5	175.1	101.2	0	0	0	112.2	R604 K646 S734 T742	R604-D738 IonicContact CZ-OD2 2.68Å; R604-D738 PolarHBondContact NH1-O 3.32Å; R604-D738 IonicContact NH1-OD2 2.66Å; R604-D738 PolarHBondContact NH1-OD2 3.04Å; R604-D738 IonicContact NH2-OD2 3.72Å; R604-D738 PolarHBondContact NH2-OD2 2.9Å; K646-D738 IonicContact NZ-OD1 2.88Å; K646-D738 PolarHBondContact NZ-OD1 3.35Å; K646-D738 IonicContact NZ-OD2 2.66Å; K646-D738 PolarHBondContact NZ-OD2 3.24Å; S734-D738 WeakPolarHBondContact O-CB 3.16Å; S734-D738 PolarHBondContact O-N 3.23Å; S734-D738 VanDerWaalsContact O-N 3.13Å; D738-T742 VanDerWaalsContact O-CB 3.3Å; D738-T742 WeakPolarHBondContact O-CB 3.34Å; D738-T742 PolarHBondContact O-N 2.89Å; D738-T742 PolarHBondContact O-OG1 2.88Å
739	F	95.2	Very high	94.3	Very high	49 Å²	49	50.1 Å²	50.1	22%	0.215	28%	0.276	C	S	.	.	H	α-helix	trans	-70.3	-54.4	171.9	-177.9	-92	0	0	0	114.1	F600 G735 L736 S737 T742 I743	F600-F739 HydrophobicContact CE1-CD2 4.37Å; F600-F739 AromaticContact CE1-CE2 3.59Å; F600-F739 HydrophobicContact CE1-CE2 3.59Å; F600-F739 AromaticContact CE1-CZ 3.83Å; F600-F739 HydrophobicContact CE1-CZ 3.83Å; F600-F739 HydrophobicContact CZ-CD2 4.02Å; F600-F739 AromaticContact CZ-CE2 3.68Å; F600-F739 HydrophobicContact CZ-CE2 3.68Å; F600-F739 HydrophobicContact CZ-CZ 4.03Å; G735-F739 WeakPolarHBondContact O-CB 3.42Å; G735-F739 PolarHBondContact O-N 3.09Å; G735-F739 VanDerWaalsContact O-N 3.1Å; L736-F739 PolarHBondContact O-N 3.31Å; S737-F739 CarbonylContact O-C 3.56Å; S737-F739 PolarHBondContact O-N 2.88Å; F739-T742 PolarHBondContact O-N 3.32Å; F739-I743 PolarHBondContact O-N 3.26Å
740	F	96.7	Very high	94.3	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.009	27%	0.267	C	S	.	.	H	α-helix	trans	-74.3	-30.2	-173.4	-72.1	-57	0	0	0	113.8	Y574 Y696 V710 L736 S737 I743 T744	Y574-F740 HydrophobicContact CD1-CD2 4.18Å; Y574-F740 HydrophobicContact CD2-CD2 4.44Å; Y574-F740 AromaticContact CG-CD2 3.77Å; Y574-F740 HydrophobicContact CG-CD2 3.77Å; Y574-F740 HydrophobicContact CG-CE2 4.33Å; Y696-F740 AromaticContact CE1-CE1 3.68Å; Y696-F740 HydrophobicContact CE1-CE1 3.68Å; Y696-F740 HydrophobicContact CE1-CZ 4.33Å; Y696-F740 AromaticContact CZ-CE1 3.83Å; V710-F740 HydrophobicContact CB-CD1 4.46Å; V710-F740 HydrophobicContact CB-CE1 4.3Å; V710-F740 HydrophobicContact CG1-CD1 4.28Å; V710-F740 HydrophobicContact CG1-CE1 3.67Å; V710-F740 HydrophobicContact CG1-CE2 4.15Å; V710-F740 HydrophobicContact CG1-CZ 3.59Å; V710-F740 HydrophobicContact CG2-CE1 4.38Å; L736-F740 HydrophobicContact CB-CD2 4.36Å; L736-F740 HydrophobicContact CB-CE2 4.4Å; L736-F740 HydrophobicContact CD2-CE2 3.88Å; L736-F740 WeakPolarHBondContact O-CB 3.43Å; L736-F740 WeakPolarHBondContact O-CD2 3.27Å; L736-F740 PolarHBondContact O-N 3.19Å; S737-F740 PolarHBondContact O-N 3.36Å; F740-I743 HydrophobicContact CD1-CG2 4.23Å; F740-T744 VanDerWaalsContact O-CB 3.24Å; F740-T744 WeakPolarHBondContact O-CB 3.3Å; F740-T744 PolarHBondContact O-N 3.07Å; F740-T744 VanDerWaalsContact O-N 3.11Å; F740-T744 PolarHBondContact O-OG1 3.26Å
741	D	96.1	Very high	94.3	Very high	75 Å²	75	44.6 Å²	44.6	40%	0.401	25%	0.248	S	C	.	.	H	α-helix	trans	-64.9	-49.7	169.7	-64.9	-47.9	0	0	0	109.9	S737 I743 T744 I745	S737-D741 WeakPolarHBondContact CB-OD2 3.39Å; S737-D741 VanDerWaalsContact O-CB 3.31Å; S737-D741 WeakPolarHBondContact O-CB 3.25Å; S737-D741 VanDerWaalsContact O-CG 3.26Å; S737-D741 PolarHBondContact O-N 2.71Å; S737-D741 PolarHBondContact OG-OD2 2.9Å; D741-I743 PolarHBondContact O-N 3.18Å; D741-T744 PolarHBondContact O-N 2.86Å; D741-I745 WeakPolarHBondContact O-CG1 3.4Å; D741-I745 PolarHBondContact O-N 2.88Å
742	T	95.5	Very high	94.2	Very high	29 Å²	29	45 Å²	45	18%	0.178	25%	0.25	C	C	.	.	H	α-helix	trans	-60.8	-46.2	178.5	-55.8	0	0	0	0	112.1	F600 R604 D738 F739 T744 I745 K746	F600-T742 HydrophobicContact CD2-CG2 4.42Å; F600-T742 HydrophobicContact CE2-CG2 3.89Å; R604-T742 HydrophobicContact CG-CG2 4.29Å; R604-T742 PolarHBondContact NH1-OG1 3.23Å; D738-T742 VanDerWaalsContact O-CB 3.3Å; D738-T742 WeakPolarHBondContact O-CB 3.34Å; D738-T742 PolarHBondContact O-N 2.89Å; D738-T742 PolarHBondContact O-OG1 2.88Å; F739-T742 PolarHBondContact O-N 3.32Å; T742-T744 VanDerWaalsContact C-N 3.33Å; T742-T744 PolarHBondContact O-N 3.07Å; T742-I745 PolarHBondContact O-N 3.02Å; T742-K746 HydrophobicContact CG2-CG 4.38Å; T742-K746 WeakPolarHBondContact O-CB 3.42Å; T742-K746 PolarHBondContact O-N 2.81Å
743	I	95.9	Very high	93.9	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-66.9	-37	-178.4	-154.1	175.9	0	0	0	111.2	I590 F596 F600 F739 F740 D741 K746 L747	I590-I743 HydrophobicContact CG1-CD1 4.48Å; I590-I743 HydrophobicContact CG2-CD1 4.45Å; F596-I743 HydrophobicContact CE1-CG1 4.2Å; F596-I743 HydrophobicContact CZ-CG1 4.21Å; F600-I743 HydrophobicContact CD1-CD1 4.24Å; F600-I743 HydrophobicContact CD1-CG1 4.28Å; F600-I743 HydrophobicContact CD2-CB 4.35Å; F600-I743 HydrophobicContact CD2-CG1 4.11Å; F600-I743 HydrophobicContact CE1-CB 4.27Å; F600-I743 HydrophobicContact CE1-CD1 3.79Å; F600-I743 HydrophobicContact CE1-CG1 3.93Å; F600-I743 HydrophobicContact CE2-CB 3.56Å; F600-I743 HydrophobicContact CE2-CG1 3.76Å; F600-I743 HydrophobicContact CG-CG1 4.36Å; F600-I743 HydrophobicContact CZ-CB 3.52Å; F600-I743 HydrophobicContact CZ-CD1 3.94Å; F600-I743 HydrophobicContact CZ-CG1 3.66Å; F739-I743 PolarHBondContact O-N 3.26Å; F740-I743 HydrophobicContact CD1-CG2 4.23Å; D741-I743 PolarHBondContact O-N 3.18Å; I743-K746 PolarHBondContact O-N 2.87Å; I743-L747 HydrophobicContact CG1-CD1 4.17Å; I743-L747 HydrophobicContact CG1-CG 4.37Å; I743-L747 VanDerWaalsContact O-CB 3.26Å; I743-L747 WeakPolarHBondContact O-CB 3.49Å; I743-L747 WeakPolarHBondContact O-CD1 3.31Å; I743-L747 WeakPolarHBondContact O-CG 3.28Å; I743-L747 PolarHBondContact O-N 3.42Å
744	T	96.5	Very high	93.5	Very high	15 Å²	15	49 Å²	49	9%	0.092	27%	0.271	C	S	.	.	H	α-helix	trans	-67.2	-40.4	178.4	-61.1	0	0	0	0	111.7	T577 I579 F740 D741 T742 K748	T577-T744 HydrophobicContact CG2-CG2 3.73Å; I579-T744 HydrophobicContact CD1-CG2 4.17Å; F740-T744 VanDerWaalsContact O-CB 3.24Å; F740-T744 WeakPolarHBondContact O-CB 3.3Å; F740-T744 PolarHBondContact O-N 3.07Å; F740-T744 VanDerWaalsContact O-N 3.11Å; F740-T744 PolarHBondContact O-OG1 3.26Å; D741-T744 PolarHBondContact O-N 2.86Å; T742-T744 VanDerWaalsContact C-N 3.33Å; T742-T744 PolarHBondContact O-N 3.07Å; T744-K748 WeakPolarHBondContact O-CG 3.13Å; T744-K748 PolarHBondContact O-N 3.24Å
745	I	95.7	Very high	93.1	Very high	104 Å²	104	47.8 Å²	47.8	53%	0.533	26%	0.263	S	S	.	.	H	α-helix	trans	-64.4	-52.1	173.6	-68.3	163.5	0	0	0	110.2	D741 T742 L747 K748 E749	D741-I745 WeakPolarHBondContact O-CG1 3.4Å; D741-I745 PolarHBondContact O-N 2.88Å; T742-I745 PolarHBondContact O-N 3.02Å; I745-L747 PolarHBondContact O-N 3.48Å; I745-K748 PolarHBondContact O-N 2.76Å; I745-K748 VanDerWaalsContact O-N 3.11Å; I745-E749 PolarHBondContact O-N 3.42Å
746	K	95	Very high	92.7	Very high	56 Å²	56	51 Å²	51	24%	0.243	27%	0.271	C	S	.	.	H	α-helix	trans	-66.1	-33.5	-177.2	-72.7	-66.3	176.6	-158.8	0	113.3	F596 T742 I743 K748 E749 F750	F596-K746 HydrophobicContact CE2-CB 3.96Å; F596-K746 WeakPolarHBondContact CE2-O 3.41Å; F596-K746 HydrophobicContact CZ-CB 4.15Å; T742-K746 HydrophobicContact CG2-CG 4.38Å; T742-K746 WeakPolarHBondContact O-CB 3.42Å; T742-K746 PolarHBondContact O-N 2.81Å; I743-K746 PolarHBondContact O-N 2.87Å; K746-K748 VanDerWaalsContact C-N 3.32Å; K746-K748 PolarHBondContact O-N 2.82Å; K746-E749 WeakPolarHBondContact CD-OE2 3.47Å; K746-E749 IonicContact NZ-OE1 3.24Å; K746-E749 PolarHBondContact NZ-OE1 3.07Å; K746-E749 IonicContact NZ-OE2 3.42Å; K746-E749 PolarHBondContact NZ-OE2 3.1Å; K746-F750 WeakPolarHBondContact O-CB 3.22Å; K746-F750 PolarHBondContact O-N 3.16Å
747	L	94.9	Very high	92	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.9	-37	172.4	-79.5	166.8	0	0	0	112.4	I579 L581 L586 C589 I590 F596 L708 I743 I745 A751	I579-L747 HydrophobicContact CD1-CB 4.24Å; I579-L747 HydrophobicContact CG2-CB 4.02Å; L581-L747 HydrophobicContact CD1-CD2 4.31Å; L586-L747 HydrophobicContact CD1-CD1 4Å; L586-L747 HydrophobicContact CD1-CD2 4.11Å; C589-L747 HydrophobicContact CB-CD2 3.76Å; I590-L747 HydrophobicContact CD1-CD1 3.88Å; I590-L747 HydrophobicContact CG1-CD1 4.22Å; I590-L747 HydrophobicContact CG1-CD2 4.33Å; F596-L747 HydrophobicContact CD1-CD2 4.06Å; F596-L747 HydrophobicContact CE1-CD2 3.52Å; F596-L747 HydrophobicContact CE1-CG 3.9Å; F596-L747 HydrophobicContact CE2-CD2 4.16Å; F596-L747 HydrophobicContact CE2-CG 4.31Å; F596-L747 HydrophobicContact CZ-CB 4.39Å; F596-L747 HydrophobicContact CZ-CD2 3.59Å; F596-L747 HydrophobicContact CZ-CG 3.59Å; L708-L747 HydrophobicContact CD2-CD1 3.83Å; I743-L747 HydrophobicContact CG1-CD1 4.17Å; I743-L747 HydrophobicContact CG1-CG 4.37Å; I743-L747 VanDerWaalsContact O-CB 3.26Å; I743-L747 WeakPolarHBondContact O-CB 3.49Å; I743-L747 WeakPolarHBondContact O-CD1 3.31Å; I743-L747 WeakPolarHBondContact O-CG 3.28Å; I743-L747 PolarHBondContact O-N 3.42Å; I745-L747 PolarHBondContact O-N 3.48Å; L747-A751 WeakPolarHBondContact O-CB 3.37Å; L747-A751 PolarHBondContact O-N 2.92Å
748	K	94.5	Very high	91.4	Very high	86 Å²	86	56.9 Å²	56.9	37%	0.374	29%	0.293	S	S	.	.	H	α-helix	trans	-71.3	-48	176.9	-71.5	175	178.2	-177.7	0	111.8	T577 D578 I579 T744 I745 K746 F750 A751 T752	T577-K748 VanDerWaalsContact CG2-CE 3.43Å; D578-K748 WeakPolarHBondContact O-CE 3.33Å; I579-K748 HydrophobicContact CD1-CG 4.26Å; T744-K748 WeakPolarHBondContact O-CG 3.13Å; T744-K748 PolarHBondContact O-N 3.24Å; I745-K748 PolarHBondContact O-N 2.76Å; I745-K748 VanDerWaalsContact O-N 3.11Å; K746-K748 VanDerWaalsContact C-N 3.32Å; K746-K748 PolarHBondContact O-N 2.82Å; K748-F750 VanDerWaalsContact C-N 3.3Å; K748-F750 PolarHBondContact O-N 3.47Å; K748-A751 PolarHBondContact O-N 2.66Å; K748-T752 PolarHBondContact O-N 3.34Å; K748-T752 PolarHBondContact O-OG1 3.06Å
749	E	93.1	Very high	91	Very high	88 Å²	88	57 Å²	57	41%	0.411	29%	0.289	S	S	.	.	H	α-helix	trans	-58.3	-40.8	175.6	-177.8	-172.8	133	0	0	112.1	I745 K746 T752 N753	I745-E749 PolarHBondContact O-N 3.42Å; K746-E749 WeakPolarHBondContact CD-OE2 3.47Å; K746-E749 IonicContact NZ-OE1 3.24Å; K746-E749 PolarHBondContact NZ-OE1 3.07Å; K746-E749 IonicContact NZ-OE2 3.42Å; K746-E749 PolarHBondContact NZ-OE2 3.1Å; E749-T752 PolarHBondContact O-OG1 3.31Å; E749-N753 PolarHBondContact O-ND2 2.95Å
750	F	90.6	Very high	90.4	Very high	29 Å²	29	57.6 Å²	57.6	13%	0.127	29%	0.294	C	S	.	.	H	α-helix	trans	-67.5	-45.4	174.6	-172.7	-114	0	0	0	111.5	F596 K746 K748 T752 N753 L754 L765	F596-F750 HydrophobicContact CB-CD1 4.06Å; F596-F750 HydrophobicContact CB-CE1 3.82Å; F596-F750 HydrophobicContact CB-CE2 4.49Å; F596-F750 HydrophobicContact CB-CG 4.49Å; F596-F750 HydrophobicContact CB-CZ 4.06Å; F596-F750 HydrophobicContact CD2-CB 3.75Å; F596-F750 AromaticContact CD2-CD1 3.7Å; F596-F750 HydrophobicContact CD2-CD1 3.7Å; F596-F750 HydrophobicContact CD2-CD2 4.14Å; F596-F750 HydrophobicContact CD2-CE1 4.33Å; F596-F750 AromaticContact CD2-CG 3.6Å; F596-F750 HydrophobicContact CD2-CG 3.6Å; F596-F750 HydrophobicContact CE2-CB 4Å; F596-F750 HydrophobicContact CE2-CG 4.34Å; F596-F750 HydrophobicContact CG-CD1 4.11Å; F596-F750 HydrophobicContact CG-CE1 4.36Å; F596-F750 HydrophobicContact CG-CG 4.4Å; K746-F750 WeakPolarHBondContact O-CB 3.22Å; K746-F750 PolarHBondContact O-N 3.16Å; K748-F750 VanDerWaalsContact C-N 3.3Å; K748-F750 PolarHBondContact O-N 3.47Å; F750-T752 VanDerWaalsContact C-N 3.26Å; F750-T752 PolarHBondContact O-N 3.47Å; F750-N753 PolarHBondContact O-N 3.23Å; F750-L754 HydrophobicContact CD1-CD1 4.07Å; F750-L754 HydrophobicContact CE1-CD1 3.77Å; F750-L754 HydrophobicContact CE1-CD2 4.39Å; F750-L754 HydrophobicContact CE1-CG 4.32Å; F750-L754 HydrophobicContact CZ-CD1 4.34Å; F750-L754 HydrophobicContact CZ-CD2 4.13Å; F750-L754 HydrophobicContact CZ-CG 4.49Å; F750-L765 HydrophobicContact CE1-CD1 4.41Å; F750-L765 HydrophobicContact CE1-CD2 3.52Å; F750-L765 HydrophobicContact CZ-CD2 3.51Å
751	A	90.8	Very high	89.2	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-66.3	-20.9	179.5	0	0	0	0	0	114.5	P580 L581 L747 K748 R759	P580-A751 HydrophobicContact CB-CB 3.9Å; P580-A751 HydrophobicContact CG-CB 3.95Å; L581-A751 HydrophobicContact CD1-CB 4.5Å; L581-A751 HydrophobicContact CD2-CB 3.68Å; L581-A751 HydrophobicContact CG-CB 3.8Å; L747-A751 WeakPolarHBondContact O-CB 3.37Å; L747-A751 PolarHBondContact O-N 2.92Å; K748-A751 PolarHBondContact O-N 2.66Å; A751-R759 WeakPolarHBondContact O-CD 3.46Å
752	T	89	Confident	87.7	Confident	104 Å²	104	55.7 Å²	55.7	64%	0.638	29%	0.286	S	S	*	.	H	α-helix	trans	-76.5	-20.6	170.7	41.1	0	0	0	0	113.7	K748 E749 F750	K748-T752 PolarHBondContact O-N 3.34Å; K748-T752 PolarHBondContact O-OG1 3.06Å; E749-T752 PolarHBondContact O-OG1 3.31Å; F750-T752 VanDerWaalsContact C-N 3.26Å; F750-T752 PolarHBondContact O-N 3.47Å
753	N	86.7	Confident	85.7	Confident	126 Å²	126	56.2 Å²	56.2	67%	0.674	30%	0.297	S	S	*	.	S	Bend	trans	-94.4	-3.3	-178.4	-62.6	-14.4	0	0	0	113.3	E749 F750	E749-N753 PolarHBondContact O-ND2 2.95Å; F750-N753 PolarHBondContact O-N 3.23Å
754	L	85.6	Confident	83.7	Confident	22 Å²	22	64.4 Å²	64.4	12%	0.115	33%	0.328	C	S	.	.	S	Bend	trans	-97.8	143	-179.7	-68.3	-179.7	0	0	0	112	L581 F750 E758 R759 L765	L581-L754 HydrophobicContact CD2-CD1 3.98Å; F750-L754 HydrophobicContact CD1-CD1 4.07Å; F750-L754 HydrophobicContact CE1-CD1 3.77Å; F750-L754 HydrophobicContact CE1-CD2 4.39Å; F750-L754 HydrophobicContact CE1-CG 4.32Å; F750-L754 HydrophobicContact CZ-CD1 4.34Å; F750-L754 HydrophobicContact CZ-CD2 4.13Å; F750-L754 HydrophobicContact CZ-CG 4.49Å; L754-E758 HydrophobicContact CB-CB 4.02Å; L754-E758 HydrophobicContact CD1-CB 4.41Å; L754-E758 HydrophobicContact CD2-CB 4.06Å; L754-E758 HydrophobicContact CG-CB 4.39Å; L754-R759 HydrophobicContact CB-CG 3.64Å; L754-R759 HydrophobicContact CD1-CG 4.42Å; L754-R759 WeakPolarHBondContact O-CD 3.26Å; L754-L765 HydrophobicContact CD1-CD2 4.17Å; L754-L765 HydrophobicContact CD2-CD2 4.25Å
755	S	85.4	Confident	81.6	Confident	58 Å²	58	63.8 Å²	63.8	41%	0.406	32%	0.324	S	S	.	.			trans	-63.1	163.9	169.8	70.3	0	0	0	0	112.2	E757 E758 R759	S755-E757 VanDerWaalsContact C-N 3.25Å; S755-E757 PolarHBondContact O-N 3.38Å; S755-E758 WeakPolarHBondContact CB-OE2 3.13Å; S755-E758 PolarHBondContact N-OE2 3.23Å; S755-E758 PolarHBondContact O-N 2.85Å; S755-E758 WeakPolarHBondContact OG-CG 3.45Å; S755-E758 PolarHBondContact OG-N 3.49Å; S755-E758 PolarHBondContact OG-OE2 3.43Å; S755-R759 WeakPolarHBondContact O-CB 3.48Å; S755-R759 VanDerWaalsContact O-CG 3.26Å; S755-R759 WeakPolarHBondContact O-CG 3.34Å; S755-R759 PolarHBondContact O-N 3.25Å
756	L	83.9	Confident	79.5	Confident	105 Å²	105	60.4 Å²	60.4	55%	0.55	31%	0.308	S	S	.	.	H	α-helix	trans	-57.7	-38.5	177.5	-179.6	59.8	0	0	0	112.3	T704 L760	T704-L756 HydrophobicContact CG2-CD1 3.53Å; L756-L760 HydrophobicContact CD1-CD1 4.22Å; L756-L760 HydrophobicContact CD1-CG 4.4Å; L756-L760 HydrophobicContact CG-CD1 4.09Å; L756-L760 WeakPolarHBondContact O-CB 3.43Å; L756-L760 WeakPolarHBondContact O-CD1 3.31Å; L756-L760 WeakPolarHBondContact O-CG 3.46Å; L756-L760 PolarHBondContact O-N 3.33Å; L756-L760 VanDerWaalsContact O-N 3.11Å
757	E	81.6	Confident	77.2	Confident	143 Å²	143	64.2 Å²	64.2	67%	0.668	33%	0.327	S	S	*	.	H	α-helix	trans	-67.8	-42	178.6	-174.5	174	178.9	0	0	112.1	S755 L760 T761	S755-E757 VanDerWaalsContact C-N 3.25Å; S755-E757 PolarHBondContact O-N 3.38Å; E757-L760 PolarHBondContact O-N 2.95Å; E757-T761 HydrophobicContact CG-CG2 4.16Å; E757-T761 WeakPolarHBondContact O-CB 3.27Å; E757-T761 WeakPolarHBondContact O-CG2 3.22Å; E757-T761 PolarHBondContact O-N 3.02Å; E757-T761 PolarHBondContact O-OG1 2.85Å
758	E	82.1	Confident	74.5	Confident	46 Å²	46	73.6 Å²	73.6	22%	0.215	37%	0.371	C	S	.	.	H	α-helix	trans	-67.1	-38.6	176.6	-68.7	163.8	115.3	0	0	111.9	L754 S755 L760 G762 W764	L754-E758 HydrophobicContact CB-CB 4.02Å; L754-E758 HydrophobicContact CD1-CB 4.41Å; L754-E758 HydrophobicContact CD2-CB 4.06Å; L754-E758 HydrophobicContact CG-CB 4.39Å; S755-E758 WeakPolarHBondContact CB-OE2 3.13Å; S755-E758 PolarHBondContact N-OE2 3.23Å; S755-E758 PolarHBondContact O-N 2.85Å; S755-E758 WeakPolarHBondContact OG-CG 3.45Å; S755-E758 PolarHBondContact OG-N 3.49Å; S755-E758 PolarHBondContact OG-OE2 3.43Å; E758-L760 PolarHBondContact O-N 3.24Å; E758-G762 VanDerWaalsContact O-CA 3.28Å; E758-G762 WeakPolarHBondContact O-CA 3.37Å; E758-G762 PolarHBondContact O-N 2.97Å; E758-W764 HydrophobicContact CG-CB 4.3Å
759	R	85.5	Confident	71.9	Confident	58 Å²	58	79.2 Å²	79.2	22%	0.219	39%	0.39	C	S	.	.	H	α-helix	trans	-65.3	-26.2	174.3	-68.2	174	60.6	-166.4	-10.5	113.1	P580 L581 N582 T704 A751 L754 S755	P580-R759 VanDerWaalsContact O-CZ 3.26Å; P580-R759 PolarHBondContact O-NE 2.92Å; P580-R759 PolarHBondContact O-NH2 3.34Å; L581-R759 HydrophobicContact CD2-CB 4.4Å; L581-R759 HydrophobicContact CD2-CG 4.19Å; N582-R759 VanDerWaalsContact CB-O 3.3Å; N582-R759 WeakPolarHBondContact CB-O 2.76Å; N582-R759 PolarHBondContact N-O 2.81Å; T704-R759 PolarHBondContact O-NH2 2.72Å; A751-R759 WeakPolarHBondContact O-CD 3.46Å; L754-R759 HydrophobicContact CB-CG 3.64Å; L754-R759 HydrophobicContact CD1-CG 4.42Å; L754-R759 WeakPolarHBondContact O-CD 3.26Å; S755-R759 WeakPolarHBondContact O-CB 3.48Å; S755-R759 VanDerWaalsContact O-CG 3.26Å; S755-R759 WeakPolarHBondContact O-CG 3.34Å; S755-R759 PolarHBondContact O-N 3.25Å
760	L	82.6	Confident	68.9	Low	61 Å²	61	78.6 Å²	78.6	32%	0.319	41%	0.407	S	S	.	.	H	α-helix	trans	-84.8	-48	176.3	-73.3	169.7	0	0	0	112.6	N582 R703 T704 L756 E757 E758	N582-L760 WeakPolarHBondContact CB-O 3.45Å; R703-L760 HydrophobicContact CB-CD2 4.07Å; R703-L760 VanDerWaalsContact O-CD2 3.25Å; R703-L760 WeakPolarHBondContact O-CD2 3.43Å; T704-L760 HydrophobicContact CG2-CD2 4Å; L756-L760 HydrophobicContact CD1-CD1 4.22Å; L756-L760 HydrophobicContact CD1-CG 4.4Å; L756-L760 HydrophobicContact CG-CD1 4.09Å; L756-L760 WeakPolarHBondContact O-CB 3.43Å; L756-L760 WeakPolarHBondContact O-CD1 3.31Å; L756-L760 WeakPolarHBondContact O-CG 3.46Å; L756-L760 PolarHBondContact O-N 3.33Å; L756-L760 VanDerWaalsContact O-N 3.11Å; E757-L760 PolarHBondContact O-N 2.95Å; E758-L760 PolarHBondContact O-N 3.24Å
761	T	71.4	Confident	66.3	Low	37 Å²	37	87.1 Å²	87.1	23%	0.227	44%	0.44	C	S	.	.	H	α-helix	trans	-90.5	-32	-171.5	60.3	0	0	0	0	113.5	R588 E757 G763 L779	R588-T761 PolarHBondContact NH1-O 3.31Å; E757-T761 HydrophobicContact CG-CG2 4.16Å; E757-T761 WeakPolarHBondContact O-CB 3.27Å; E757-T761 WeakPolarHBondContact O-CG2 3.22Å; E757-T761 PolarHBondContact O-N 3.02Å; E757-T761 PolarHBondContact O-OG1 2.85Å; T761-G763 PolarHBondContact O-N 3.08Å; T761-G763 PolarHBondContact OG1-N 3.41Å; T761-L779 HydrophobicContact CG2-CD1 4.25Å
762	G	65.4	Low	63.7	Low	0 Å²	0	91 Å²	91	0%	0	46%	0.46	C	S	.	.			trans	55.6	23.7	-160.3	0	0	0	0	0	113.2	E758 W764 L765	E758-G762 VanDerWaalsContact O-CA 3.28Å; E758-G762 WeakPolarHBondContact O-CA 3.37Å; E758-G762 PolarHBondContact O-N 2.97Å; G762-W764 PolarHBondContact O-N 3.4Å; G762-L765 WeakPolarHBondContact O-CB 3.26Å; G762-L765 WeakPolarHBondContact O-CG 3.37Å; G762-L765 PolarHBondContact O-N 2.87Å
763	G	54.3	Low	61.3	Low	40 Å²	40	93.1 Å²	93.1	41%	0.412	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-33.2	-166.9	0	0	0	0	0	114.6	T761 L765	T761-G763 PolarHBondContact O-N 3.08Å; T761-G763 PolarHBondContact OG1-N 3.41Å; G763-L765 VanDerWaalsContact C-N 3.31Å
764	W	52.6	Low	59.3	Low	175 Å²	175	91 Å²	91	66%	0.663	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-8.8	178.2	-149.9	80.5	0	0	0	113.3	E758 G762	E758-W764 HydrophobicContact CG-CB 4.3Å; G762-W764 PolarHBondContact O-N 3.4Å
765	L	54	Low	57.5	Low	1 Å²	1	91 Å²	91	1%	0.005	46%	0.456	C	S	.	.	S	Bend	trans	-81	-24.7	-166	-55.2	-175.4	0	0	0	114.2	S594 E595 F750 L754 G762 G763	S594-L765 WeakPolarHBondContact CA-O 3.33Å; S594-L765 WeakPolarHBondContact CB-O 3.34Å; E595-L765 PolarHBondContact N-O 3.43Å; F750-L765 HydrophobicContact CE1-CD1 4.41Å; F750-L765 HydrophobicContact CE1-CD2 3.52Å; F750-L765 HydrophobicContact CZ-CD2 3.51Å; L754-L765 HydrophobicContact CD1-CD2 4.17Å; L754-L765 HydrophobicContact CD2-CD2 4.25Å; G762-L765 WeakPolarHBondContact O-CB 3.26Å; G762-L765 WeakPolarHBondContact O-CG 3.37Å; G762-L765 PolarHBondContact O-N 2.87Å; G763-L765 VanDerWaalsContact C-N 3.31Å
766	T	50.8	Low	55.5	Low	34 Å²	34	90 Å²	90	21%	0.209	45%	0.448	C	S	.	.	B	Isolated β-bridge	trans	-91.2	113.7	-179	49.7	0	0	0	0	109.9	L772	T766-L772 HydrophobicContact CG2-CD1 3.57Å
767	Q	47.1	Very low	53.2	Low	135 Å²	135	87.2 Å²	87.2	63%	0.631	44%	0.436	S	S	*	.			trans	-60.2	144	-179.9	-161.7	174.5	68.8	0	0	110.6	R769	Q767-R769 PolarHBondContact O-N 2.92Å
768	Q	38	Very low	50.7	Low	198 Å²	198	86.4 Å²	86.4	93%	0.925	44%	0.443	S	S	*	.	S	Bend	trans	-70.4	82	-170.5	-75	-171.7	-30.2	0	0	114.1
769	R	39.2	Very low	48.4	Very low	203 Å²	203	89.8 Å²	89.8	77%	0.766	46%	0.462	S	S	*	.			trans	-127.8	97.7	157.4	-75.1	-175.5	170.6	179.7	-1.7	108.5	Q767 Y771	Q767-R769 PolarHBondContact O-N 2.92Å; R769-Y771 PolarHBondContact O-N 2.84Å
770	G	30.9	Very low	45.6	Very low	76 Å²	76	92.7 Å²	92.7	78%	0.784	48%	0.482	S	S	*	.	S	Bend	trans	-69.5	92.3	-162.4	0	0	0	0	0	115.8
771	Y	35.4	Very low	43.2	Very low	207 Å²	207	94.6 Å²	94.6	81%	0.812	50%	0.498	S	S	*	.			trans	-140.3	11.9	166.1	-84.2	-72.4	0	0	0	114.7	R769	R769-Y771 PolarHBondContact O-N 2.84Å
772	L	37.4	Very low	41.3	Very low	81 Å²	81	95.9 Å²	95.9	42%	0.424	51%	0.509	S	S	.	.			trans	-104.3	58.2	-169.6	-73.3	174.7	0	0	0	115.9	T766	T766-L772 HydrophobicContact CG2-CD1 3.57Å
773	N	37.9	Very low	39.8	Very low	150 Å²	150	103.2 Å²	103.2	80%	0.802	55%	0.548	S	S	*	.	S	Bend	trans	-105	-2.1	167.5	-84.3	-3.6	0	0	0	114.2
774	N	43.7	Very low	38.8	Very low	80 Å²	80	108.9 Å²	108.9	43%	0.428	57%	0.567	S	S	.	*	S	Bend	trans	-109.5	5.5	-153.6	-68.7	-12.1	0	0	0	116.3	V616 F617	V616-N774 HydrophobicContact CG1-CB 4.19Å; V616-N774 HydrophobicContact CG2-CB 4.26Å; V616-N774 WeakPolarHBondContact CG2-ND2 3.42Å; F617-N774 VanDerWaalsContact O-O 3.13Å
775	I	48.4	Very low	37.8	Very low	23 Å²	23	108.1 Å²	108.1	12%	0.118	57%	0.571	C	S	.	*	S	Bend	trans	-138	-33.9	-179.9	-63	-176.6	0	0	0	112.9	F587 W614 W619	F587-I775 HydrophobicContact CE1-CG2 4.43Å; F587-I775 HydrophobicContact CZ-CG2 4.31Å; W614-I775 HydrophobicContact CB-CD1 3.28Å; W614-I775 HydrophobicContact CG-CD1 3.79Å; W619-I775 PolarHBondContact NE1-O 2.98Å
776	T	43.8	Very low	36.6	Very low	38 Å²	38	115.5 Å²	115.5	23%	0.233	61%	0.61	C	S	.	*	S	Bend	trans	-73.7	134.4	169.8	-43.3	0	0	0	0	109.3	R588	R588-T776 PolarHBondContact NE-OG1 3.47Å; R588-T776 PolarHBondContact NH2-OG1 3.38Å
777	P	35	Very low	35.7	Very low	46 Å²	46	121.7 Å²	121.7	30%	0.299	64%	0.642	S	S	.	*	P	Polyproline II helix	trans	-63.8	147	170.8	27.9	-33.6	0	0	0	109.7	S669 L779	S669-P777 WeakPolarHBondContact OG-CD 3.42Å; P777-L779 PolarHBondContact O-N 3.23Å; P777-L779 VanDerWaalsContact O-N 3.1Å
778	P	29.5	Very low	34.9	Very low	126 Å²	126	120.8 Å²	120.8	82%	0.818	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-62.5	116.8	175.9	25.9	-33.2	0	0	0	109.5	N780	P778-N780 PolarHBondContact O-N 3.39Å
779	L	33.3	Very low	34.6	Very low	116 Å²	116	119.1 Å²	119.1	61%	0.607	65%	0.647	S	S	*	*			trans	-66.3	104.2	169.8	-75	170.9	0	0	0	107.9	T761 P777 P781	T761-L779 HydrophobicContact CG2-CD1 4.25Å; P777-L779 PolarHBondContact O-N 3.23Å; P777-L779 VanDerWaalsContact O-N 3.1Å; L779-P781 VanDerWaalsContact O-CD 3.29Å; L779-P781 WeakPolarHBondContact O-CD 3.1Å
780	N	28.2	Very low	34.2	Very low	119 Å²	119	117.6 Å²	117.6	64%	0.636	65%	0.653	S	S	*	*			trans	-67.7	115	177.1	-176.1	4.2	0	0	0	109.3	P778 S782	P778-N780 PolarHBondContact O-N 3.39Å; N780-S782 PolarHBondContact ND2-OG 2.66Å; N780-S782 PolarHBondContact O-N 2.96Å; N780-S782 VanDerWaalsContact O-N 3.16Å; N780-S782 PolarHBondContact OD1-N 2.85Å; N780-S782 PolarHBondContact OD1-OG 3.34Å
781	P	31.9	Very low	34.2	Very low	102 Å²	102	122 Å²	122	66%	0.662	66%	0.657	S	S	*	*			trans	-72.7	-6.2	-172.9	30.2	-36.3	0	0	0	113.8	L779 N783 I784	L779-P781 VanDerWaalsContact O-CD 3.29Å; L779-P781 WeakPolarHBondContact O-CD 3.1Å; P781-N783 PolarHBondContact O-N 2.8Å; P781-I784 PolarHBondContact O-N 3.05Å
782	S	30.7	Very low	33.9	Very low	64 Å²	64	121.3 Å²	121.3	45%	0.448	66%	0.661	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.3	11.9	-172.7	74.4	0	0	0	0	116.3	N780	N780-S782 PolarHBondContact ND2-OG 2.66Å; N780-S782 PolarHBondContact O-N 2.96Å; N780-S782 VanDerWaalsContact O-N 3.16Å; N780-S782 PolarHBondContact OD1-N 2.85Å; N780-S782 PolarHBondContact OD1-OG 3.34Å
783	N	33.4	Very low	33.6	Very low	153 Å²	153	123.1 Å²	123.1	82%	0.818	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.5	12.8	176.1	-88	-36.8	0	0	0	113.4	P781	P781-N783 PolarHBondContact O-N 2.8Å
784	I	33.9	Very low	33.5	Very low	159 Å²	159	122.4 Å²	122.4	82%	0.815	68%	0.681	S	S	*	*	S	Bend	trans	-129.3	43.9	174.8	-38.6	-178.5	0	0	0	110.9	P781	P781-I784 PolarHBondContact O-N 3.05Å
785	Q	30.6	Very low	32.9	Very low	159 Å²	159	126.4 Å²	126.4	74%	0.743	70%	0.703	S	S	*	*			trans	-110.8	-11.2	172.2	-72.6	-171.7	-52.7	0	0	114	N787	Q785-N787 PolarHBondContact O-N 2.97Å
786	N	30.2	Very low	32.1	Very low	156 Å²	156	128.8 Å²	128.8	83%	0.834	73%	0.733	S	S	*	*	S	Bend	trans	-94.5	65	178.7	-67.4	-0.5	0	0	0	111.6
787	N	32	Very low	31.4	Very low	165 Å²	165	134.4 Å²	134.4	88%	0.882	76%	0.762	S	S	*	*			trans	-168.6	45.8	161.4	-101.8	-17.8	0	0	0	112.7	Q785 L789	Q785-N787 PolarHBondContact O-N 2.97Å; N787-L789 VanDerWaalsContact C-N 3.27Å; N787-L789 PolarHBondContact O-N 3.42Å; N787-L789 VanDerWaalsContact O-N 3.08Å
788	S	29.8	Very low	31.5	Very low	115 Å²	115	140.2 Å²	140.2	80%	0.804	79%	0.785	S	S	*	*			trans	-84.8	50	-178.1	-174.2	0	0	0	0	114
789	L	31.4	Very low	31.8	Very low	164 Å²	164	139.7 Å²	139.7	86%	0.859	78%	0.776	S	S	*	*			trans	-143.7	71.5	177	-79.2	178.6	0	0	0	112.4	N787	N787-L789 VanDerWaalsContact C-N 3.27Å; N787-L789 PolarHBondContact O-N 3.42Å; N787-L789 VanDerWaalsContact O-N 3.08Å
790	L	30.6	Very low	31.6	Very low	170 Å²	170	141 Å²	141	89%	0.89	78%	0.783	S	S	*	*	S	Bend	trans	-163	20.2	159.4	-116.7	170.9	0	0	0	117.1
791	I	31.7	Very low	31.9	Very low	170 Å²	170	147.5 Å²	147.5	87%	0.872	80%	0.799	S	S	*	*			trans	-132.9	74.1	173	-48.2	-179.4	0	0	0	111.2
792	Q	29.4	Very low	31.7	Very low	192 Å²	192	151.3 Å²	151.3	90%	0.897	81%	0.805	S	S	*	*			trans	-151	100.2	161.6	-84.6	-166.9	-8.6	0	0	110.6
793	S	30.2	Very low	31.5	Very low	118 Å²	118	154.9 Å²	154.9	83%	0.825	82%	0.818	S	S	*	*			trans	170.7	171.9	147.9	45.5	0	0	0	0	111.5
794	V	36.5	Very low	31.5	Very low	135 Å²	135	155 Å²	155	82%	0.818	82%	0.819	S	S	*	*			trans	71.4	69.6	171.4	-158.8	0	0	0	0	116.4
795	N	30	Very low	31.4	Very low	164 Å²	164	157.3 Å²	157.3	88%	0.877	82%	0.823	S	S	*	*			trans	-24.4	154.7	147.3	-58.4	-31.4	0	0	0	117.2
796	G	31	Very low	31.3	Very low	74 Å²	74	153.5 Å²	153.5	76%	0.763	82%	0.819	S	S	*	*			trans	171.8	107.8	151.5	0	0	0	0	0	116.2
797	N	29.8	Very low	31.3	Very low	156 Å²	156	153.7 Å²	153.7	83%	0.834	82%	0.82	S	S	*	*			trans	-30.1	148	167.4	-69.1	-30.6	0	0	0	115.4
798	Q	37.4	Very low	31.3	Very low	168 Å²	168	149.8 Å²	149.8	79%	0.785	81%	0.81	S	S	*	*				-161.5	140.4	74.3	-87.7	-173.8	43.3	0	0	117
799	N	35.2	Very low	31.2	Very low	115 Å²	115	152.6 Å²	152.6	62%	0.615	81%	0.808	S	S	*	*			trans	59.9	95.4	132.9	-58.5	-26.4	0	0	0	121.5
800	N	29	Very low	31.1	Very low	144 Å²	144	155.1 Å²	155.1	77%	0.77	81%	0.813	S	S	*	*				34.5	113.8	115.9	-70.8	-45.6	0	0	0	119.2
801	R	34.7	Very low	31	Very low	254 Å²	254	152.9 Å²	152.9	96%	0.958	81%	0.806	S	S	*	*				-147	146.8	121.8	-111.7	165.8	-168.3	-177.7	3.2	111
802	K	27.8	Very low	30.9	Very low	182 Å²	182	148.3 Å²	148.3	79%	0.791	80%	0.802	S	S	*	*			trans	-98.3	163.7	-171.8	-63.9	-179.8	176.9	178.4	0	111.8
803	L	27.7	Very low	30.8	Very low	140 Å²	140	146.1 Å²	146.1	73%	0.733	80%	0.796	S	S	*	*				104.1	137.3	127.3	-130.4	74.7	0	0	0	119.4
804	N	32.8	Very low	31.1	Very low	154 Å²	154	147.1 Å²	147.1	82%	0.824	80%	0.797	S	S	*	*			trans	85.3	142.8	156.3	-71	-15.8	0	0	0	121
805	K	30.7	Very low	30.8	Very low	208 Å²	208	146.8 Å²	146.8	90%	0.904	79%	0.79	S	S	*	*			trans	-143.8	110.6	-170.7	165	-162.7	174.9	-174.8	0	105.1
806	A	30.2	Very low	30.7	Very low	79 Å²	79	143.8 Å²	143.8	65%	0.653	78%	0.782	S	S	*	*			trans	-161.9	125	172.7	0	0	0	0	0	109.2
807	D	30.2	Very low	30.9	Very low	160 Å²	160	147.7 Å²	147.7	86%	0.856	79%	0.786	S	S	*	*			trans	57.1	164.8	142	-42.5	-33.2	0	0	0	118.8
808	A	31.5	Very low	30.8	Very low	83 Å²	83	149.4 Å²	149.4	69%	0.686	79%	0.786	S	S	*	*			cis	-145.1	155.5	2.4	0	0	0	0	0	111.9
809	F	26.7	Very low	30.5	Very low	174 Å²	174	148.1 Å²	148.1	76%	0.763	79%	0.789	S	S	*	*			trans	5.2	134	151.8	-64.7	-98.9	0	0	0	120.6
810	F	31.1	Very low	30.3	Very low	217 Å²	217	148.3 Å²	148.3	95%	0.952	80%	0.796	S	S	*	*				-146.7	96	124.5	-118.8	-73.9	0	0	0	111.9
811	T	27.9	Very low	30.1	Very low	123 Å²	123	146.4 Å²	146.4	76%	0.755	80%	0.801	S	S	*	*			trans	-103.4	103.5	171.5	47.8	0	0	0	0	109.6
812	G	30.2	Very low	29.9	Very low	75 Å²	75	139.4 Å²	139.4	77%	0.773	79%	0.791	S	S	*	*			trans	-113.7	102.2	177.9	0	0	0	0	0	111.9
813	N	26.2	Very low	29.9	Very low	145 Å²	145	142.3 Å²	142.3	78%	0.775	80%	0.797	S	S	*	*			trans	-98.7	110.4	177.3	178.2	27	0	0	0	110.7
814	V	35.8	Very low	30	Very low	140 Å²	140	145.9 Å²	145.9	85%	0.848	80%	0.802	S	S	*	*			trans	-133.7	120.6	169.1	-176.1	0	0	0	0	111
815	N	30.4	Very low	29.8	Very low	128 Å²	128	142.6 Å²	142.6	68%	0.684	79%	0.791	S	S	*	*			trans	-55.8	149.8	-173.7	-68.8	-39.4	0	0	0	117.1
816	S	29.6	Very low	29.8	Very low	101 Å²	101	138.4 Å²	138.4	71%	0.706	78%	0.778	S	S	*	*			trans	55.8	104.5	136.6	65.6	0	0	0	0	121
817	N	33.3	Very low	29.7	Very low	155 Å²	155	142 Å²	142	83%	0.829	78%	0.782	S	S	*	*				-167.1	111	118.6	-92.1	-42.9	0	0	0	108.3
818	K	29.3	Very low	29.8	Very low	193 Å²	193	139.1 Å²	139.1	84%	0.839	78%	0.781	S	S	*	*				79.7	66.5	68.2	-164.9	-164.3	175.8	-178.1	0	114.7
819	V	31.5	Very low	29.6	Very low	140 Å²	140	143.9 Å²	143.9	85%	0.848	79%	0.786	S	S	*	*			trans	-145.3	135.4	142.5	178.8	0	0	0	0	107.7
820	P	29.3	Very low	29.9	Very low	119 Å²	119	140.9 Å²	140.9	77%	0.773	79%	0.786	S	S	*	*			trans	-101.3	171.1	-172.4	39.3	-36	0	0	0	114.5
821	A	26.3	Very low	29.8	Very low	105 Å²	105	135.3 Å²	135.3	87%	0.868	77%	0.774	S	S	*	*			trans	-94.6	142.6	167.1	0	0	0	0	0	112.4
822	S	30.4	Very low	30	Very low	107 Å²	107	135.1 Å²	135.1	75%	0.748	77%	0.768	S	S	*	*			trans	-147.3	147	164.7	54.1	0	0	0	0	107.4
823	R	27.6	Very low	29.9	Very low	242 Å²	242	138.4 Å²	138.4	91%	0.913	76%	0.761	S	S	*	*			cis	62.8	78.5	11.3	-73.1	-161	-176.6	-165.4	4.8	116.9
824	Y	29.9	Very low	29.9	Very low	216 Å²	216	139.1 Å²	139.1	85%	0.847	76%	0.764	S	S	*	*			trans	-170.4	121.4	138.8	-94	-77.1	0	0	0	102.9
825	S	28.9	Very low	29.7	Very low	85 Å²	85	136.9 Å²	136.9	59%	0.594	76%	0.755	S	S	*	*			cis	80.7	140.8	37.9	97.3	0	0	0	0	115
826	D	30	Very low	29.6	Very low	119 Å²	119	135.4 Å²	135.4	64%	0.636	75%	0.754	S	S	*	*			trans	88.7	124.3	161	-70.2	-85.1	0	0	0	122.9
827	Q	28.1	Very low	29.7	Very low	154 Å²	154	137.5 Å²	137.5	72%	0.72	76%	0.756	S	S	*	*			trans	74.8	92.8	135.8	-66.3	171.2	52.3	0	0	123
828	A	31.1	Very low	29.4	Very low	101 Å²	101	136.5 Å²	136.5	84%	0.835	75%	0.75	S	S	*	*				-158	127.2	115.2	0	0	0	0	0	108.4
829	K	29	Very low	29.5	Very low	183 Å²	183	135 Å²	135	80%	0.796	75%	0.751	S	S	*	*			cis	88.3	67	43.8	-75.8	-167.3	173.1	178	0	116.4
830	S	31.7	Very low	29.4	Very low	110 Å²	110	134.5 Å²	134.5	77%	0.769	74%	0.744	S	S	*	*			trans	-179.1	125.3	136.8	44.8	0	0	0	0	108.3
831	S	30	Very low	29.5	Very low	100 Å²	100	134 Å²	134	70%	0.699	74%	0.738	S	S	*	*			cis	82.2	135.5	43.6	76.6	0	0	0	0	113.6
832	I	30.9	Very low	29.6	Very low	120 Å²	120	136.3 Å²	136.3	62%	0.615	74%	0.737	S	S	*	*			trans	81.5	121.9	-170.3	-56.3	163.8	0	0	0	111.2	V498	V498-I832 HydrophobicContact CG1-CD1 3.77Å; V498-I832 HydrophobicContact CG2-CD1 3.98Å
833	F	29	Very low	29.6	Very low	144 Å²	144	136.7 Å²	136.7	63%	0.632	73%	0.734	S	S	*	*			cis	-142.9	154.9	0.8	-152.5	-120.5	0	0	0	111.1
834	N	26.3	Very low	29.8	Very low	159 Å²	159	134.4 Å²	134.4	85%	0.85	73%	0.731	S	S	*	*			trans	-150.8	92.9	-179.5	-154.7	11.9	0	0	0	111.5
835	S	30.5	Very low	29.8	Very low	93 Å²	93	132 Å²	132	65%	0.65	73%	0.725	S	S	*	*			trans	177	147.4	174	-81.6	0	0	0	0	107.7
836	C	29.2	Very low	30.1	Very low	97 Å²	97	134.7 Å²	134.7	66%	0.655	73%	0.728	S	S	*	*			cis	-139.6	136.9	-4.8	-105.5	0	0	0	0	108
837	I	30.9	Very low	30.1	Very low	146 Å²	146	135.8 Å²	135.8	75%	0.749	73%	0.733	S	S	*	*				60.6	123.8	104.3	-58.6	178.6	0	0	0	114.7
838	N	28.1	Very low	30.4	Very low	134 Å²	134	137 Å²	137	72%	0.717	74%	0.736	S	S	*	*			trans	3.4	132.3	157.5	-58.9	-18.6	0	0	0	118.7
839	D	31	Very low	30.4	Very low	162 Å²	162	138.9 Å²	138.9	87%	0.866	74%	0.738	S	S	*	*				-141.2	161.3	123.6	-143.7	-19.7	0	0	0	111.8
840	N	29.4	Very low	30.7	Very low	128 Å²	128	134.7 Å²	134.7	68%	0.684	73%	0.728	S	S	*	*			trans	-126.3	154.5	-151.7	-148.7	-25.6	0	0	0	113.1
841	T	31	Very low	30.8	Very low	108 Å²	108	137.4 Å²	137.4	66%	0.663	73%	0.733	S	S	*	*			trans	72.5	125	163	76.8	0	0	0	0	121.5
842	N	28.9	Very low	30.9	Very low	155 Å²	155	141 Å²	141	83%	0.829	74%	0.736	S	S	*	*			trans	77.3	167.5	130.5	-85.9	-53.9	0	0	0	123.3
843	V	31.2	Very low	31.1	Very low	114 Å²	114	137.1 Å²	137.1	69%	0.691	73%	0.726	S	S	*	*			trans	89	80.5	162.5	-159.8	0	0	0	0	119.2
844	K	31.4	Very low	31.8	Very low	195 Å²	195	135.7 Å²	135.7	85%	0.848	73%	0.734	S	S	*	*			trans	61.7	122.3	132.5	-61.9	172.2	-174	165.4	0	120.7	Q846	K844-Q846 PolarHBondContact O-N 3.43Å
845	K	30.2	Very low	32.7	Very low	165 Å²	165	130 Å²	130	72%	0.717	71%	0.713	S	S	*	*			trans	-51.7	127.1	153.7	-59.4	162.8	-178.3	165.1	0	111.1
846	Q	34.9	Very low	33.5	Very low	141 Å²	141	129.1 Å²	129.1	66%	0.659	70%	0.701	S	S	*	*			trans	-149.7	148.8	149.4	-134.6	172.6	-1.7	0	0	112	E512 K844	E512-Q846 PolarHBondContact OE1-NE2 3.09Å; E512-Q846 PolarHBondContact OE2-NE2 2.87Å; K844-Q846 PolarHBondContact O-N 3.43Å
847	N	30.2	Very low	34.6	Very low	142 Å²	142	129.9 Å²	129.9	76%	0.759	70%	0.696	S	S	*	*			trans	-68.2	148.5	-160.5	-45.7	-44.1	0	0	0	114.4
848	K	33.6	Very low	35.8	Very low	180 Å²	180	126.6 Å²	126.6	78%	0.783	68%	0.683	S	S	*	*			trans	-148.4	115.3	136	-144.5	178.3	-174.2	-176.1	0	112.8	T850	K848-T850 HydrophobicContact CD-CG2 4.33Å; K848-T850 HydrophobicContact CG-CG2 4.26Å
849	T	30.7	Very low	37.1	Very low	141 Å²	141	129.1 Å²	129.1	87%	0.865	68%	0.684	S	S	*	*			trans	-93.9	106	168.3	-41.7	0	0	0	0	107.7
850	T	35.5	Very low	38.3	Very low	95 Å²	95	125.3 Å²	125.3	58%	0.583	66%	0.663	S	S	*	*			trans	-139.2	101.1	172.8	39.6	0	0	0	0	110.3	K848 F852	K848-T850 HydrophobicContact CD-CG2 4.33Å; K848-T850 HydrophobicContact CG-CG2 4.26Å; T850-F852 PolarHBondContact O-N 3.42Å
851	L	34	Very low	39.5	Very low	166 Å²	166	121.6 Å²	121.6	87%	0.869	64%	0.641	S	S	*	*			trans	38	84.3	130.7	-160.6	78.5	0	0	0	115.7	G853	L851-G853 PolarHBondContact O-N 2.83Å; L851-G853 VanDerWaalsContact O-N 3.11Å
852	F	32.8	Very low	40.8	Very low	175 Å²	175	120.7 Å²	120.7	77%	0.768	63%	0.63	S	S	*	*			trans	-62.8	110.1	160.1	-90.7	-82.1	0	0	0	108.5	T850 D856	T850-F852 PolarHBondContact O-N 3.42Å; F852-D856 HydrophobicContact CD1-CB 3.65Å; F852-D856 VanDerWaalsContact CD1-CG 3.47Å; F852-D856 WeakPolarHBondContact CD1-OD2 3.1Å; F852-D856 HydrophobicContact CE1-CB 4.08Å
853	G	33.7	Very low	42.5	Very low	40 Å²	40	120.9 Å²	120.9	41%	0.412	62%	0.62	S	S	.	*			trans	-79.6	174.4	179.3	0	0	0	0	0	111.7	L851 G855 D856	L851-G853 PolarHBondContact O-N 2.83Å; L851-G853 VanDerWaalsContact O-N 3.11Å; G853-G855 PolarHBondContact O-N 2.97Å; G853-D856 PolarHBondContact O-N 3Å
854	S	43.5	Very low	44.3	Very low	113 Å²	113	121 Å²	121	79%	0.79	62%	0.623	S	S	*	*	H	α-helix	trans	-63.8	-10.3	-174.7	-162.6	0	0	0	0	115.2
855	G	45.2	Very low	46.2	Very low	41 Å²	41	118.6 Å²	118.6	42%	0.423	62%	0.619	S	S	.	*	H	α-helix	trans	-82.4	-24.3	-177.6	0	0	0	0	0	115.6	G853 M857 T858 Y859	G853-G855 PolarHBondContact O-N 2.97Å; G855-M857 VanDerWaalsContact C-N 3.35Å; G855-T858 WeakPolarHBondContact CA-OG1 3.36Å; G855-T858 PolarHBondContact O-N 2.87Å; G855-T858 PolarHBondContact O-OG1 3.18Å; G855-Y859 PolarHBondContact O-N 2.81Å; G855-Y859 VanDerWaalsContact O-N 3.13Å
856	D	49.2	Very low	48.3	Very low	73 Å²	73	114.3 Å²	114.3	39%	0.39	60%	0.598	S	S	.	*	H	α-helix	trans	-74.4	-27.9	-179.4	-71	-77.2	0	0	0	112.4	F852 G853 Y859 L860	F852-D856 HydrophobicContact CD1-CB 3.65Å; F852-D856 VanDerWaalsContact CD1-CG 3.47Å; F852-D856 WeakPolarHBondContact CD1-OD2 3.1Å; F852-D856 HydrophobicContact CE1-CB 4.08Å; G853-D856 PolarHBondContact O-N 3Å; D856-Y859 PolarHBondContact O-N 2.94Å; D856-L860 WeakPolarHBondContact O-CB 3.25Å; D856-L860 VanDerWaalsContact O-CG 3.32Å; D856-L860 WeakPolarHBondContact O-CG 3.26Å; D856-L860 PolarHBondContact O-N 2.9Å
857	M	51.2	Low	50.3	Low	113 Å²	113	110.1 Å²	110.1	56%	0.557	59%	0.588	S	S	*	*	H	α-helix	trans	-65	-41.8	171.8	-81.4	-70.7	-75.9	0	0	111.5	G855 L860 F861	G855-M857 VanDerWaalsContact C-N 3.35Å; M857-L860 PolarHBondContact O-N 3.26Å; M857-L860 HydrophobicContact SD-CD1 4.47Å; M857-F861 HydrophobicContact CE-CE2 3.96Å; M857-F861 HydrophobicContact CE-CZ 4.37Å; M857-F861 WeakPolarHBondContact O-CD2 3.39Å; M857-F861 PolarHBondContact O-N 3.29Å
858	T	56.4	Low	52.8	Low	78 Å²	78	110.4 Å²	110.4	48%	0.479	58%	0.578	S	S	.	*	H	α-helix	trans	-63.8	-44.9	173.3	18.4	0	0	0	0	111.3	G855 L860 F861 M862	G855-T858 WeakPolarHBondContact CA-OG1 3.36Å; G855-T858 PolarHBondContact O-N 2.87Å; G855-T858 PolarHBondContact O-OG1 3.18Å; T858-L860 PolarHBondContact O-N 3.34Å; T858-F861 PolarHBondContact O-N 2.94Å; T858-M862 WeakPolarHBondContact O-CG 3.38Å; T858-M862 PolarHBondContact O-N 3.2Å
859	Y	56.1	Low	54.9	Low	187 Å²	187	104.9 Å²	104.9	73%	0.733	56%	0.557	S	S	*	*	H	α-helix	trans	-60.8	-28.4	174.3	-98.6	-79.1	0	0	0	114.3	G855 D856 F861	G855-Y859 PolarHBondContact O-N 2.81Å; G855-Y859 VanDerWaalsContact O-N 3.13Å; D856-Y859 PolarHBondContact O-N 2.94Å; Y859-F861 VanDerWaalsContact C-N 3.34Å
860	L	54.9	Low	57.2	Low	82 Å²	82	100.9 Å²	100.9	43%	0.429	53%	0.53	S	S	.	.	H	α-helix	trans	-72.9	-23.4	174.1	-78.9	164.4	0	0	0	113.7	D856 M857 T858 R866	D856-L860 WeakPolarHBondContact O-CB 3.25Å; D856-L860 VanDerWaalsContact O-CG 3.32Å; D856-L860 WeakPolarHBondContact O-CG 3.26Å; D856-L860 PolarHBondContact O-N 2.9Å; M857-L860 PolarHBondContact O-N 3.26Å; M857-L860 HydrophobicContact SD-CD1 4.47Å; T858-L860 PolarHBondContact O-N 3.34Å; L860-R866 VanDerWaalsContact CD2-NH1 3.33Å; L860-R866 WeakPolarHBondContact O-CD 3.37Å
861	F	54.8	Low	59.4	Low	50 Å²	50	102 Å²	102	22%	0.219	53%	0.532	C	S	.	.	H	α-helix	trans	-93.3	-31	174.4	-69.3	-61	0	0	0	113.5	M857 T858 Y859 R863 L870 I873	M857-F861 HydrophobicContact CE-CE2 3.96Å; M857-F861 HydrophobicContact CE-CZ 4.37Å; M857-F861 WeakPolarHBondContact O-CD2 3.39Å; M857-F861 PolarHBondContact O-N 3.29Å; T858-F861 PolarHBondContact O-N 2.94Å; Y859-F861 VanDerWaalsContact C-N 3.34Å; F861-R863 PolarHBondContact O-N 2.84Å; F861-R863 VanDerWaalsContact O-N 3.07Å; F861-L870 HydrophobicContact CB-CD1 4.08Å; F861-L870 HydrophobicContact CD1-CB 4.49Å; F861-L870 HydrophobicContact CD1-CD1 4.1Å; F861-L870 HydrophobicContact CD2-CD1 4.35Å; F861-L870 HydrophobicContact CG-CD1 3.93Å; F861-I873 HydrophobicContact CE1-CD1 3.51Å; F861-I873 HydrophobicContact CZ-CD1 3.61Å
862	M	58.1	Low	61.6	Low	88 Å²	88	97.5 Å²	97.5	43%	0.433	51%	0.511	S	S	.	.	S	Bend	trans	-73.7	9.6	-178.6	-66.9	-56.1	130.8	0	0	115.2	T858 L975	T858-M862 WeakPolarHBondContact O-CG 3.38Å; T858-M862 PolarHBondContact O-N 3.2Å; M862-L975 HydrophobicContact CE-CD1 3.53Å; M862-L975 HydrophobicContact CE-CD2 4.23Å; M862-L975 HydrophobicContact SD-CD1 3.85Å; M862-L975 HydrophobicContact SD-CD2 3.58Å; M862-L975 VanDerWaalsContact SD-CD2 3.58Å; M862-L975 HydrophobicContact SD-CG 4.33Å
863	R	65.2	Low	63.9	Low	160 Å²	160	92.1 Å²	92.1	60%	0.604	49%	0.49	S	S	*	.	S	Bend	trans	-85.8	129.3	169.3	-74.4	-172.1	173.3	177.6	-1.4	109.7	F861 D865 R866	F861-R863 PolarHBondContact O-N 2.84Å; F861-R863 VanDerWaalsContact O-N 3.07Å; R863-D865 VanDerWaalsContact C-N 3.27Å; R863-D865 PolarHBondContact O-N 3.21Å; R863-D865 VanDerWaalsContact O-N 3.14Å; R863-R866 WeakPolarHBondContact O-CA 3.49Å; R863-R866 PolarHBondContact O-N 3.38Å
864	P	69.1	Low	66.3	Low	117 Å²	117	92.9 Å²	92.9	76%	0.76	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-49.4	-43.2	-178.4	-31.4	36.3	0	0	0	114.4	R866 A867	P864-R866 PolarHBondContact O-N 2.9Å; P864-A867 PolarHBondContact O-N 2.89Å
865	D	71.4	Confident	68.4	Low	143 Å²	143	89.3 Å²	89.3	77%	0.765	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-56.8	-7.7	175.3	-66	-27.5	0	0	0	115.5	R863 W868	R863-D865 VanDerWaalsContact C-N 3.27Å; R863-D865 PolarHBondContact O-N 3.21Å; R863-D865 VanDerWaalsContact O-N 3.14Å; D865-W868 VanDerWaalsContact O-CD1 3.29Å; D865-W868 PolarHBondContact O-NE1 2.96Å
866	R	74	Confident	70.3	Confident	76 Å²	76	92.3 Å²	92.3	29%	0.287	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-127.6	2.6	-174.6	-62.2	-176.6	177	-169.3	-1.4	114.2	L860 R863 P864 W868 L869 L870	L860-R866 VanDerWaalsContact CD2-NH1 3.33Å; L860-R866 WeakPolarHBondContact O-CD 3.37Å; R863-R866 WeakPolarHBondContact O-CA 3.49Å; R863-R866 PolarHBondContact O-N 3.38Å; P864-R866 PolarHBondContact O-N 2.9Å; R866-W868 PolarHBondContact O-N 2.8Å; R866-L869 WeakPolarHBondContact O-CA 3.26Å; R866-L869 WeakPolarHBondContact O-CB 3.49Å; R866-L869 PolarHBondContact O-N 2.8Å; R866-L870 PolarHBondContact O-N 3.48Å
867	A	76.5	Confident	72	Confident	52 Å²	52	92.8 Å²	92.8	43%	0.43	47%	0.472	S	S	.	.	H	α-helix	trans	-57.8	-38	175.4	0	0	0	0	0	112.3	P864 L869 L870 L871	P864-A867 PolarHBondContact O-N 2.89Å; A867-L869 PolarHBondContact O-N 3.02Å; A867-L870 WeakPolarHBondContact O-CB 3.37Å; A867-L870 PolarHBondContact O-N 3.25Å; A867-L870 VanDerWaalsContact O-N 3.13Å; A867-L871 PolarHBondContact O-N 3.21Å; A867-L871 VanDerWaalsContact O-N 3.12Å
868	W	82.5	Confident	73.6	Confident	148 Å²	148	91.3 Å²	91.3	56%	0.561	47%	0.466	S	S	*	.	H	α-helix	trans	-59.5	-30.1	173.3	70.3	-87.4	0	0	0	113.3	D865 R866 L871 V872	D865-W868 VanDerWaalsContact O-CD1 3.29Å; D865-W868 PolarHBondContact O-NE1 2.96Å; R866-W868 PolarHBondContact O-N 2.8Å; W868-L871 PolarHBondContact O-N 3.36Å; W868-V872 HydrophobicContact CE3-CG2 4.13Å; W868-V872 HydrophobicContact CZ3-CG2 4.48Å; W868-V872 WeakPolarHBondContact O-CG2 3.29Å; W868-V872 PolarHBondContact O-N 3.31Å
869	L	78.5	Confident	75	Confident	64 Å²	64	91.4 Å²	91.4	34%	0.335	47%	0.469	S	S	.	.	H	α-helix	trans	-72	-35.2	178.9	-129.1	170.3	0	0	0	110.7	R866 A867 I873	R866-L869 WeakPolarHBondContact O-CA 3.26Å; R866-L869 WeakPolarHBondContact O-CB 3.49Å; R866-L869 PolarHBondContact O-N 2.8Å; A867-L869 PolarHBondContact O-N 3.02Å; L869-I873 HydrophobicContact CD2-CD1 4.24Å; L869-I873 WeakPolarHBondContact O-CD1 3.12Å; L869-I873 VanDerWaalsContact O-CG1 3.29Å; L869-I873 WeakPolarHBondContact O-CG1 3.31Å; L869-I873 PolarHBondContact O-N 3.45Å
870	L	78.1	Confident	76.4	Confident	57 Å²	57	87.9 Å²	87.9	30%	0.298	46%	0.462	S	S	.	.	H	α-helix	trans	-63.8	-46.4	169.5	-167	90.3	0	0	0	110.8	F861 R866 A867 V872 I873 I874	F861-L870 HydrophobicContact CB-CD1 4.08Å; F861-L870 HydrophobicContact CD1-CB 4.49Å; F861-L870 HydrophobicContact CD1-CD1 4.1Å; F861-L870 HydrophobicContact CD2-CD1 4.35Å; F861-L870 HydrophobicContact CG-CD1 3.93Å; R866-L870 PolarHBondContact O-N 3.48Å; A867-L870 WeakPolarHBondContact O-CB 3.37Å; A867-L870 PolarHBondContact O-N 3.25Å; A867-L870 VanDerWaalsContact O-N 3.13Å; L870-V872 VanDerWaalsContact C-N 3.34Å; L870-V872 PolarHBondContact O-N 3.11Å; L870-I873 PolarHBondContact O-N 2.98Å; L870-I873 VanDerWaalsContact O-N 3.15Å; L870-I874 HydrophobicContact CD2-CD1 3.95Å; L870-I874 HydrophobicContact CG-CD1 3.96Å; L870-I874 WeakPolarHBondContact O-CG1 3.25Å; L870-I874 PolarHBondContact O-N 2.85Å
871	L	81.2	Confident	77.6	Confident	119 Å²	119	88.8 Å²	88.8	62%	0.623	46%	0.463	S	S	*	.	H	α-helix	trans	-61.3	-39.8	177.5	-66.5	175.7	0	0	0	112.5	A867 W868 I874 G875	A867-L871 PolarHBondContact O-N 3.21Å; A867-L871 VanDerWaalsContact O-N 3.12Å; W868-L871 PolarHBondContact O-N 3.36Å; L871-I874 PolarHBondContact O-N 2.72Å; L871-G875 PolarHBondContact O-N 2.68Å
872	V	80.9	Confident	79	Confident	71 Å²	71	92 Å²	92	43%	0.43	48%	0.482	S	S	.	.	H	α-helix	trans	-63.6	-41.3	173.4	167.9	0	0	0	0	111.4	W868 L870 G875 L876	W868-V872 HydrophobicContact CE3-CG2 4.13Å; W868-V872 HydrophobicContact CZ3-CG2 4.48Å; W868-V872 WeakPolarHBondContact O-CG2 3.29Å; W868-V872 PolarHBondContact O-N 3.31Å; L870-V872 VanDerWaalsContact C-N 3.34Å; L870-V872 PolarHBondContact O-N 3.11Å; V872-G875 PolarHBondContact O-N 3.11Å; V872-L876 HydrophobicContact CG1-CD1 3.95Å; V872-L876 HydrophobicContact CG1-CG 4.44Å; V872-L876 WeakPolarHBondContact O-CB 3.37Å; V872-L876 VanDerWaalsContact O-CG 3.28Å; V872-L876 WeakPolarHBondContact O-CG 3.42Å; V872-L876 PolarHBondContact O-N 2.87Å
873	I	81.9	Confident	80.2	Confident	63 Å²	63	90.2 Å²	90.2	32%	0.323	48%	0.478	S	S	.	.	H	α-helix	trans	-64.8	-44.8	176	-71	164.2	0	0	0	111	F861 L869 L870 G875 L876 L877	F861-I873 HydrophobicContact CE1-CD1 3.51Å; F861-I873 HydrophobicContact CZ-CD1 3.61Å; L869-I873 HydrophobicContact CD2-CD1 4.24Å; L869-I873 WeakPolarHBondContact O-CD1 3.12Å; L869-I873 VanDerWaalsContact O-CG1 3.29Å; L869-I873 WeakPolarHBondContact O-CG1 3.31Å; L869-I873 PolarHBondContact O-N 3.45Å; L870-I873 PolarHBondContact O-N 2.98Å; L870-I873 VanDerWaalsContact O-N 3.15Å; I873-G875 PolarHBondContact O-N 2.61Å; I873-L876 PolarHBondContact O-N 3.19Å; I873-L877 HydrophobicContact CG2-CD1 3.88Å; I873-L877 HydrophobicContact CG2-CG 4.45Å; I873-L877 WeakPolarHBondContact O-CB 3.4Å; I873-L877 VanDerWaalsContact O-CG 3.28Å; I873-L877 WeakPolarHBondContact O-CG 3.38Å; I873-L877 PolarHBondContact O-N 3.46Å
874	I	83.2	Confident	80.8	Confident	56 Å²	56	86.3 Å²	86.3	29%	0.287	47%	0.467	S	S	.	.	H	α-helix	trans	-61.8	-43.9	176.4	-68.3	165.2	0	0	0	110.7	L870 L871 L877 L878	L870-I874 HydrophobicContact CD2-CD1 3.95Å; L870-I874 HydrophobicContact CG-CD1 3.96Å; L870-I874 WeakPolarHBondContact O-CG1 3.25Å; L870-I874 PolarHBondContact O-N 2.85Å; L871-I874 PolarHBondContact O-N 2.72Å; I874-L877 PolarHBondContact O-N 3.35Å; I874-L878 HydrophobicContact CG2-CD1 4Å; I874-L878 WeakPolarHBondContact O-CB 3.17Å; I874-L878 WeakPolarHBondContact O-CG 3.45Å; I874-L878 PolarHBondContact O-N 3.48Å
875	G	87.2	Confident	81.4	Confident	37 Å²	37	82.1 Å²	82.1	38%	0.381	44%	0.44	S	S	.	.	H	α-helix	trans	-63.9	-40.3	176.4	0	0	0	0	0	113.5	L871 V872 I873 C879	L871-G875 PolarHBondContact O-N 2.68Å; V872-G875 PolarHBondContact O-N 3.11Å; I873-G875 PolarHBondContact O-N 2.61Å; G875-C879 VanDerWaalsContact O-CB 3.31Å; G875-C879 WeakPolarHBondContact O-CB 3.42Å; G875-C879 PolarHBondContact O-N 3.38Å
876	L	85.5	Confident	81.9	Confident	105 Å²	105	82.6 Å²	82.6	55%	0.55	43%	0.432	S	S	.	.	H	α-helix	trans	-67.2	-40.7	174.3	-74.2	171.1	0	0	0	112	V872 I873 C879 L880	V872-L876 HydrophobicContact CG1-CD1 3.95Å; V872-L876 HydrophobicContact CG1-CG 4.44Å; V872-L876 WeakPolarHBondContact O-CB 3.37Å; V872-L876 VanDerWaalsContact O-CG 3.28Å; V872-L876 WeakPolarHBondContact O-CG 3.42Å; V872-L876 PolarHBondContact O-N 2.87Å; I873-L876 PolarHBondContact O-N 3.19Å; L876-C879 PolarHBondContact O-N 2.83Å; L876-L880 WeakPolarHBondContact O-CG 3.36Å; L876-L880 PolarHBondContact O-N 3.08Å
877	L	84.4	Confident	82.1	Confident	83 Å²	83	83.6 Å²	83.6	44%	0.435	44%	0.443	S	S	.	.	H	α-helix	trans	-63	-47.5	174.2	-73.7	168.6	0	0	0	111.1	I873 I874 C879 L880 F881	I873-L877 HydrophobicContact CG2-CD1 3.88Å; I873-L877 HydrophobicContact CG2-CG 4.45Å; I873-L877 WeakPolarHBondContact O-CB 3.4Å; I873-L877 VanDerWaalsContact O-CG 3.28Å; I873-L877 WeakPolarHBondContact O-CG 3.38Å; I873-L877 PolarHBondContact O-N 3.46Å; I874-L877 PolarHBondContact O-N 3.35Å; L877-C879 VanDerWaalsContact C-N 3.33Å; L877-C879 PolarHBondContact O-N 2.95Å; L877-L880 PolarHBondContact O-N 3.44Å; L877-F881 HydrophobicContact CB-CD2 4.41Å; L877-F881 HydrophobicContact CB-CE2 4.33Å; L877-F881 HydrophobicContact CD2-CE2 4.49Å; L877-F881 WeakPolarHBondContact O-CD2 3.5Å; L877-F881 PolarHBondContact O-N 3.35Å
878	L	85.3	Confident	82.2	Confident	81 Å²	81	85.1 Å²	85.1	42%	0.424	44%	0.438	S	S	.	.	H	α-helix	trans	-57.8	-44	174.3	-79.6	167.3	0	0	0	111.8	I874 F881 L882	I874-L878 HydrophobicContact CG2-CD1 4Å; I874-L878 WeakPolarHBondContact O-CB 3.17Å; I874-L878 WeakPolarHBondContact O-CG 3.45Å; I874-L878 PolarHBondContact O-N 3.48Å; L878-F881 PolarHBondContact O-N 2.97Å; L878-L882 VanDerWaalsContact O-CB 3.29Å; L878-L882 WeakPolarHBondContact O-CB 3.42Å; L878-L882 VanDerWaalsContact O-CG 3.24Å; L878-L882 WeakPolarHBondContact O-CG 3.38Å; L878-L882 PolarHBondContact O-N 2.89Å
879	C	87	Confident	81.9	Confident	81 Å²	81	82.5 Å²	82.5	55%	0.547	43%	0.434	S	S	.	.	H	α-helix	trans	-60.5	-45.4	175.9	-173.5	0	0	0	0	112	G875 L876 L877 S883	G875-C879 VanDerWaalsContact O-CB 3.31Å; G875-C879 WeakPolarHBondContact O-CB 3.42Å; G875-C879 PolarHBondContact O-N 3.38Å; L876-C879 PolarHBondContact O-N 2.83Å; L877-C879 VanDerWaalsContact C-N 3.33Å; L877-C879 PolarHBondContact O-N 2.95Å; C879-S883 WeakPolarHBondContact O-CB 3.24Å; C879-S883 PolarHBondContact O-N 3.25Å
880	L	83.5	Confident	81.9	Confident	112 Å²	112	81 Å²	81	59%	0.586	43%	0.428	S	S	*	.	H	α-helix	trans	-63.2	-45.7	175.8	-72	169.9	0	0	0	111.9	L876 L877 S883 M884	L876-L880 WeakPolarHBondContact O-CG 3.36Å; L876-L880 PolarHBondContact O-N 3.08Å; L877-L880 PolarHBondContact O-N 3.44Å; L880-S883 PolarHBondContact O-N 2.99Å; L880-S883 PolarHBondContact O-OG 3.28Å; L880-M884 PolarHBondContact O-N 2.94Å
881	F	80.2	Confident	81.8	Confident	102 Å²	102	81.8 Å²	81.8	45%	0.447	43%	0.434	S	S	.	.	H	α-helix	trans	-64.2	-44.4	177.4	-76.4	-60	0	0	0	112.4	L877 L878 S883 M884 V885 M961	L877-F881 HydrophobicContact CB-CD2 4.41Å; L877-F881 HydrophobicContact CB-CE2 4.33Å; L877-F881 HydrophobicContact CD2-CE2 4.49Å; L877-F881 WeakPolarHBondContact O-CD2 3.5Å; L877-F881 PolarHBondContact O-N 3.35Å; L878-F881 PolarHBondContact O-N 2.97Å; F881-S883 VanDerWaalsContact C-N 3.34Å; F881-S883 PolarHBondContact O-N 3.46Å; F881-M884 HydrophobicContact CD1-CE 4.44Å; F881-M884 PolarHBondContact O-N 3.29Å; F881-M884 VanDerWaalsContact O-N 3.14Å; F881-V885 WeakPolarHBondContact O-CG2 3.34Å; F881-V885 PolarHBondContact O-N 2.98Å; F881-M961 HydrophobicContact CB-CE 4.19Å
882	L	84.7	Confident	81.3	Confident	117 Å²	117	78 Å²	78	61%	0.613	41%	0.414	S	S	*	.	H	α-helix	trans	-61	-42	174.4	-73.2	170.1	0	0	0	111.2	L878 M884 V885 Y886	L878-L882 VanDerWaalsContact O-CB 3.29Å; L878-L882 WeakPolarHBondContact O-CB 3.42Å; L878-L882 VanDerWaalsContact O-CG 3.24Å; L878-L882 WeakPolarHBondContact O-CG 3.38Å; L878-L882 PolarHBondContact O-N 2.89Å; L882-M884 VanDerWaalsContact C-N 3.31Å; L882-M884 PolarHBondContact O-N 2.84Å; L882-V885 PolarHBondContact O-N 2.93Å; L882-Y886 VanDerWaalsContact O-CB 3.24Å; L882-Y886 WeakPolarHBondContact O-CB 3.41Å; L882-Y886 PolarHBondContact O-N 3.22Å
883	S	83.5	Confident	81.1	Confident	50 Å²	50	79.8 Å²	79.8	35%	0.35	42%	0.418	S	S	.	.	H	α-helix	trans	-62.8	-36.7	174.3	81.7	0	0	0	0	112.3	C879 L880 F881 N887	C879-S883 WeakPolarHBondContact O-CB 3.24Å; C879-S883 PolarHBondContact O-N 3.25Å; L880-S883 PolarHBondContact O-N 2.99Å; L880-S883 PolarHBondContact O-OG 3.28Å; F881-S883 VanDerWaalsContact C-N 3.34Å; F881-S883 PolarHBondContact O-N 3.46Å; S883-N887 VanDerWaalsContact O-CB 3.29Å; S883-N887 WeakPolarHBondContact O-CB 3.41Å; S883-N887 PolarHBondContact O-N 2.79Å; S883-N887 PolarHBondContact O-ND2 3.2Å; S883-N887 VanDerWaalsContact O-ND2 3.07Å
884	M	78.5	Confident	80.6	Confident	78 Å²	78	80.2 Å²	80.2	38%	0.384	42%	0.418	S	S	.	.	H	α-helix	trans	-73	-35.2	178.5	-164.8	-177.6	69.3	0	0	112.4	L880 F881 L882 R888	L880-M884 PolarHBondContact O-N 2.94Å; F881-M884 HydrophobicContact CD1-CE 4.44Å; F881-M884 PolarHBondContact O-N 3.29Å; F881-M884 VanDerWaalsContact O-N 3.14Å; L882-M884 VanDerWaalsContact C-N 3.31Å; L882-M884 PolarHBondContact O-N 2.84Å; M884-R888 VanDerWaalsContact O-CG 3.31Å; M884-R888 WeakPolarHBondContact O-CG 3.45Å; M884-R888 PolarHBondContact O-N 2.96Å
885	V	81.2	Confident	80	Confident	30 Å²	30	80.5 Å²	80.5	18%	0.182	42%	0.419	C	S	.	.	H	α-helix	trans	-69.5	-44.9	172.1	172.6	0	0	0	0	110.6	F881 L882 R888 L889 M961	F881-V885 WeakPolarHBondContact O-CG2 3.34Å; F881-V885 PolarHBondContact O-N 2.98Å; L882-V885 PolarHBondContact O-N 2.93Å; V885-R888 PolarHBondContact O-N 2.96Å; V885-L889 HydrophobicContact CG1-CD1 3.98Å; V885-L889 PolarHBondContact O-N 2.83Å; V885-M961 HydrophobicContact CG2-CE 4.25Å
886	Y	82.2	Confident	79.1	Confident	153 Å²	153	81.4 Å²	81.4	60%	0.6	42%	0.423	S	S	*	.	H	α-helix	trans	-59.6	-48.3	176	-179.5	-98.3	0	0	0	111.9	L882 R888 L889 V890	L882-Y886 VanDerWaalsContact O-CB 3.24Å; L882-Y886 WeakPolarHBondContact O-CB 3.41Å; L882-Y886 PolarHBondContact O-N 3.22Å; Y886-R888 PolarHBondContact O-N 2.96Å; Y886-L889 WeakPolarHBondContact O-CB 3.42Å; Y886-L889 PolarHBondContact O-N 3.32Å; Y886-L889 VanDerWaalsContact O-N 3.07Å; Y886-V890 HydrophobicContact CD1-CG2 4.1Å; Y886-V890 HydrophobicContact CE1-CG2 3.67Å; Y886-V890 HydrophobicContact CE2-CG2 4.16Å; Y886-V890 WeakPolarHBondContact O-CG2 3.44Å; Y886-V890 PolarHBondContact O-N 2.94Å
887	N	77.9	Confident	78.2	Confident	96 Å²	96	82 Å²	82	51%	0.513	42%	0.423	S	S	.	.	H	α-helix	trans	-59.6	-34.9	176.2	-74.2	-29.9	0	0	0	112.4	S883 V891	S883-N887 VanDerWaalsContact O-CB 3.29Å; S883-N887 WeakPolarHBondContact O-CB 3.41Å; S883-N887 PolarHBondContact O-N 2.79Å; S883-N887 PolarHBondContact O-ND2 3.2Å; S883-N887 VanDerWaalsContact O-ND2 3.07Å; N887-V891 VanDerWaalsContact O-CG2 3.31Å; N887-V891 WeakPolarHBondContact O-CG2 3.47Å; N887-V891 PolarHBondContact O-N 2.87Å; N887-V891 VanDerWaalsContact O-N 3.09Å
888	R	78.3	Confident	77.2	Confident	85 Å²	85	83.3 Å²	83.3	32%	0.321	43%	0.427	S	S	.	.	H	α-helix	trans	-72.5	-36.5	173.9	-73	172.9	177.9	-119.7	2.1	112.8	M884 V885 Y886 V891 L892 L954	M884-R888 VanDerWaalsContact O-CG 3.31Å; M884-R888 WeakPolarHBondContact O-CG 3.45Å; M884-R888 PolarHBondContact O-N 2.96Å; V885-R888 PolarHBondContact O-N 2.96Å; Y886-R888 PolarHBondContact O-N 2.96Å; R888-V891 PolarHBondContact O-N 3.22Å; R888-L892 PolarHBondContact O-N 3.39Å; R888-L954 HydrophobicContact CB-CD2 3.96Å
889	L	77	Confident	75.7	Confident	92 Å²	92	84 Å²	84	48%	0.482	43%	0.427	S	S	.	.	H	α-helix	trans	-64	-45.8	173.2	-78.2	163.1	0	0	0	111.3	V885 Y886 V891 L892 E893	V885-L889 HydrophobicContact CG1-CD1 3.98Å; V885-L889 PolarHBondContact O-N 2.83Å; Y886-L889 WeakPolarHBondContact O-CB 3.42Å; Y886-L889 PolarHBondContact O-N 3.32Å; Y886-L889 VanDerWaalsContact O-N 3.07Å; L889-V891 VanDerWaalsContact C-N 3.32Å; L889-V891 PolarHBondContact O-N 2.86Å; L889-L892 CarbonylContact O-C 3.59Å; L889-L892 WeakPolarHBondContact O-CA 3.47Å; L889-L892 WeakPolarHBondContact O-CB 3.48Å; L889-L892 PolarHBondContact O-N 2.66Å; L889-E893 WeakPolarHBondContact O-CB 3.4Å; L889-E893 PolarHBondContact O-N 3.26Å
890	V	77.4	Confident	73.9	Confident	34 Å²	34	85 Å²	85	21%	0.206	43%	0.432	C	S	.	.	H	α-helix	trans	-62.1	-38.1	175.5	173.6	0	0	0	0	111.4	Y886 E893 K894	Y886-V890 HydrophobicContact CD1-CG2 4.1Å; Y886-V890 HydrophobicContact CE1-CG2 3.67Å; Y886-V890 HydrophobicContact CE2-CG2 4.16Å; Y886-V890 WeakPolarHBondContact O-CG2 3.44Å; Y886-V890 PolarHBondContact O-N 2.94Å; V890-E893 PolarHBondContact O-N 3.05Å; V890-K894 HydrophobicContact CG1-CG 4.38Å; V890-K894 WeakPolarHBondContact O-CB 3.38Å; V890-K894 VanDerWaalsContact O-CG 3.26Å; V890-K894 WeakPolarHBondContact O-CG 3.41Å; V890-K894 PolarHBondContact O-N 2.86Å
891	V	76.4	Confident	72.2	Confident	72 Å²	72	85.6 Å²	85.6	44%	0.436	44%	0.443	S	S	.	.	H	α-helix	trans	-65.4	-37.4	172.1	167.9	0	0	0	0	111.9	N887 R888 L889 L895	N887-V891 VanDerWaalsContact O-CG2 3.31Å; N887-V891 WeakPolarHBondContact O-CG2 3.47Å; N887-V891 PolarHBondContact O-N 2.87Å; N887-V891 VanDerWaalsContact O-N 3.09Å; R888-V891 PolarHBondContact O-N 3.22Å; L889-V891 VanDerWaalsContact C-N 3.32Å; L889-V891 PolarHBondContact O-N 2.86Å; V891-L895 HydrophobicContact CG1-CD1 4.27Å; V891-L895 WeakPolarHBondContact O-CG 3.31Å; V891-L895 PolarHBondContact O-N 2.98Å
892	L	72.3	Confident	70.3	Confident	39 Å²	39	86 Å²	86	20%	0.204	45%	0.45	C	S	.	.	H	α-helix	trans	-66.3	-42.2	175.4	-154.2	83.5	0	0	0	111.6	R888 L889 L895 A896 L950 I951	R888-L892 PolarHBondContact O-N 3.39Å; L889-L892 CarbonylContact O-C 3.59Å; L889-L892 WeakPolarHBondContact O-CA 3.47Å; L889-L892 WeakPolarHBondContact O-CB 3.48Å; L889-L892 PolarHBondContact O-N 2.66Å; L892-L895 PolarHBondContact O-N 2.66Å; L892-A896 PolarHBondContact O-N 3.39Å; L892-L950 HydrophobicContact CD1-CB 3.92Å; L892-L950 HydrophobicContact CD1-CD1 4.15Å; L892-I951 HydrophobicContact CD2-CG1 4.48Å
893	E	75.7	Confident	68.2	Low	110 Å²	110	83.3 Å²	83.3	51%	0.514	44%	0.44	S	S	.	.	H	α-helix	trans	-63.9	-44.8	175.8	-177	177.1	-129.8	0	0	111.5	L889 V890 L895 A896 E897	L889-E893 WeakPolarHBondContact O-CB 3.4Å; L889-E893 PolarHBondContact O-N 3.26Å; V890-E893 PolarHBondContact O-N 3.05Å; E893-L895 PolarHBondContact O-N 3.5Å; E893-A896 CarbonylContact O-C 3.48Å; E893-A896 WeakPolarHBondContact O-CA 3.31Å; E893-A896 WeakPolarHBondContact O-CB 3.34Å; E893-A896 PolarHBondContact O-N 2.93Å; E893-E897 PolarHBondContact O-N 3.05Å
894	K	71.7	Confident	66.3	Low	71 Å²	71	85 Å²	85	31%	0.309	46%	0.458	S	S	.	.	H	α-helix	trans	-67.2	-23.2	174.5	-66	-66.1	161.4	-148.9	0	113.7	V890 E897 Q898	V890-K894 HydrophobicContact CG1-CG 4.38Å; V890-K894 WeakPolarHBondContact O-CB 3.38Å; V890-K894 VanDerWaalsContact O-CG 3.26Å; V890-K894 WeakPolarHBondContact O-CG 3.41Å; V890-K894 PolarHBondContact O-N 2.86Å; K894-E897 VanDerWaalsContact CD-OE2 3.31Å; K894-E897 WeakPolarHBondContact CD-OE2 3.38Å; K894-E897 IonicContact NZ-OE1 2.66Å; K894-E897 PolarHBondContact NZ-OE1 3.2Å; K894-E897 IonicContact NZ-OE2 2.7Å; K894-E897 PolarHBondContact NZ-OE2 3.31Å; K894-Q898 WeakPolarHBondContact O-CG 3.35Å
895	L	70.6	Confident	64.7	Low	62 Å²	62	92 Å²	92	33%	0.325	48%	0.48	S	S	.	.	H	α-helix	trans	-78.3	-27.4	167.8	-74.5	168.9	0	0	0	112.6	V891 L892 E893 F899 L950	V891-L895 HydrophobicContact CG1-CD1 4.27Å; V891-L895 WeakPolarHBondContact O-CG 3.31Å; V891-L895 PolarHBondContact O-N 2.98Å; L892-L895 PolarHBondContact O-N 2.66Å; E893-L895 PolarHBondContact O-N 3.5Å; L895-F899 VanDerWaalsContact O-CD2 3.25Å; L895-F899 WeakPolarHBondContact O-CD2 3.11Å; L895-F899 VanDerWaalsContact O-CE2 3.28Å; L895-F899 WeakPolarHBondContact O-CE2 3.31Å; L895-L950 HydrophobicContact CD1-CD1 3.88Å
896	A	67.6	Low	63.1	Low	56 Å²	56	94.4 Å²	94.4	46%	0.463	49%	0.492	S	S	.	.	H	α-helix	trans	-78.7	-41.3	176.8	0	0	0	0	0	112.9	L892 E893 Q898 F899	L892-A896 PolarHBondContact O-N 3.39Å; E893-A896 CarbonylContact O-C 3.48Å; E893-A896 WeakPolarHBondContact O-CA 3.31Å; E893-A896 WeakPolarHBondContact O-CB 3.34Å; E893-A896 PolarHBondContact O-N 2.93Å; A896-Q898 PolarHBondContact O-N 3.09Å; A896-F899 WeakPolarHBondContact O-CB 3.46Å; A896-F899 WeakPolarHBondContact O-CD2 3.45Å; A896-F899 PolarHBondContact O-N 3.42Å
897	E	67.1	Low	61.4	Low	117 Å²	117	95.4 Å²	95.4	55%	0.547	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.7	173.2	-74.8	179	-177.2	0	0	113.2	E893 K894 F899	E893-E897 PolarHBondContact O-N 3.05Å; K894-E897 VanDerWaalsContact CD-OE2 3.31Å; K894-E897 WeakPolarHBondContact CD-OE2 3.38Å; K894-E897 IonicContact NZ-OE1 2.66Å; K894-E897 PolarHBondContact NZ-OE1 3.2Å; K894-E897 IonicContact NZ-OE2 2.7Å; K894-E897 PolarHBondContact NZ-OE2 3.31Å; E897-F899 VanDerWaalsContact C-N 3.26Å; E897-F899 PolarHBondContact O-N 2.97Å
898	Q	63	Low	59.7	Low	111 Å²	111	96.2 Å²	96.2	52%	0.519	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-2.3	176.5	-74.9	-175.9	9.1	0	0	114.3	K894 A896	K894-Q898 WeakPolarHBondContact O-CG 3.35Å; A896-Q898 PolarHBondContact O-N 3.09Å
899	F	54	Low	58.2	Low	95 Å²	95	98.7 Å²	98.7	42%	0.417	51%	0.513	S	S	.	.	S	Bend	trans	-80.8	122.8	167.7	-72.7	-103.3	0	0	0	108.3	L895 A896 E897	L895-F899 VanDerWaalsContact O-CD2 3.25Å; L895-F899 WeakPolarHBondContact O-CD2 3.11Å; L895-F899 VanDerWaalsContact O-CE2 3.28Å; L895-F899 WeakPolarHBondContact O-CE2 3.31Å; A896-F899 WeakPolarHBondContact O-CB 3.46Å; A896-F899 WeakPolarHBondContact O-CD2 3.45Å; A896-F899 PolarHBondContact O-N 3.42Å; E897-F899 VanDerWaalsContact C-N 3.26Å; E897-F899 PolarHBondContact O-N 2.97Å
900	P	49.8	Very low	56.4	Low	102 Å²	102	99.7 Å²	99.7	66%	0.662	51%	0.514	S	S	*	.			trans	-59.2	144.6	168.4	27.6	-33.9	0	0	0	108.7	L902	P900-L902 PolarHBondContact O-N 2.93Å
901	P	47.7	Very low	55	Low	126 Å²	126	105.1 Å²	105.1	82%	0.818	54%	0.537	S	S	*	.			trans	-59.7	114.7	179	24.4	-33.2	0	0	0	109.2	S903	P901-S903 PolarHBondContact O-N 2.87Å; P901-S903 VanDerWaalsContact O-N 3.11Å
902	L	40	Very low	53.7	Low	111 Å²	111	108.4 Å²	108.4	58%	0.581	55%	0.552	S	S	*	*			trans	-52.4	119.9	175.3	-81.4	158.7	0	0	0	108.7	P900 D906	P900-L902 PolarHBondContact O-N 2.93Å; L902-D906 HydrophobicContact CD2-CB 3.7Å
903	S	40.1	Very low	52.5	Low	59 Å²	59	112 Å²	112	41%	0.413	57%	0.571	S	S	.	*			trans	-59.9	154.7	179.9	82.7	0	0	0	0	109.6	P901 R905 D906	P901-S903 PolarHBondContact O-N 2.87Å; P901-S903 VanDerWaalsContact O-N 3.11Å; S903-R905 PolarHBondContact O-N 2.93Å; S903-R905 PolarHBondContact OG-N 2.82Å; S903-D906 PolarHBondContact O-N 3.48Å; S903-D906 PolarHBondContact OG-OD2 3.44Å
904	A	44.4	Very low	50.9	Low	87 Å²	87	112.7 Å²	112.7	72%	0.719	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-19.1	-179.9	0	0	0	0	0	113.4
905	R	44.4	Very low	49.2	Very low	225 Å²	225	112.6 Å²	112.6	85%	0.849	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-32.7	173.4	-89	-177.6	159.6	123.9	-2	114.1	S903	S903-R905 PolarHBondContact O-N 2.93Å; S903-R905 PolarHBondContact OG-N 2.82Å
906	D	47.9	Very low	47.6	Very low	80 Å²	80	115.6 Å²	115.6	43%	0.428	61%	0.613	S	S	.	*	H	α-helix	trans	-82.1	-22.2	-173.5	-61.8	-65.4	0	0	0	113.4	L902 S903 N908 H909 F910	L902-D906 HydrophobicContact CD2-CB 3.7Å; S903-D906 PolarHBondContact O-N 3.48Å; S903-D906 PolarHBondContact OG-OD2 3.44Å; D906-N908 VanDerWaalsContact C-N 3.33Å; D906-N908 PolarHBondContact O-N 2.88Å; D906-H909 PolarHBondContact O-N 3.2Å; D906-F910 PolarHBondContact O-N 3.16Å; D906-F910 VanDerWaalsContact O-N 3.17Å
907	R	45.5	Very low	46	Very low	174 Å²	174	118.3 Å²	118.3	66%	0.657	63%	0.628	S	S	*	*	H	α-helix	trans	-57.9	-43.9	-179.2	-76	-171.1	174	-171.8	-2.2	112.4	F910 Q911	R907-F910 PolarHBondContact O-N 3.23Å; R907-Q911 PolarHBondContact O-N 3.02Å
908	N	43.9	Very low	44.6	Very low	112 Å²	112	118 Å²	118	60%	0.599	64%	0.636	S	S	*	*	H	α-helix	trans	-64.3	-48.3	-177.5	-61.3	10.2	0	0	0	110.8	D906 F910 Q911	D906-N908 VanDerWaalsContact C-N 3.33Å; D906-N908 PolarHBondContact O-N 2.88Å; N908-F910 VanDerWaalsContact C-N 3.26Å; N908-F910 PolarHBondContact O-N 3.48Å; N908-Q911 PolarHBondContact O-N 3.26Å; N908-Q911 VanDerWaalsContact O-N 3.07Å
909	H	45.4	Very low	43.3	Very low	137 Å²	137	119.8 Å²	119.8	63%	0.634	65%	0.645	S	S	*	*	H	α-helix	trans	-64.5	-28.5	-179.3	-164.7	-27.9	0	0	0	112.9	D906	D906-H909 PolarHBondContact O-N 3.2Å
910	F	39.5	Very low	42.4	Very low	113 Å²	113	123 Å²	123	50%	0.496	66%	0.661	S	S	.	*	H	α-helix	trans	-77.4	-22.6	176.3	-155.4	-91.9	0	0	0	113.2	D906 R907 N908 F914	D906-F910 PolarHBondContact O-N 3.16Å; D906-F910 VanDerWaalsContact O-N 3.17Å; R907-F910 PolarHBondContact O-N 3.23Å; N908-F910 VanDerWaalsContact C-N 3.26Å; N908-F910 PolarHBondContact O-N 3.48Å; F910-F914 HydrophobicContact CD1-CD2 4.24Å; F910-F914 HydrophobicContact CD1-CE2 4.25Å; F910-F914 AromaticContact CE1-CD2 3.89Å; F910-F914 HydrophobicContact CE1-CD2 3.89Å; F910-F914 AromaticContact CE1-CE2 3.59Å; F910-F914 HydrophobicContact CE1-CE2 3.59Å; F910-F914 HydrophobicContact CE2-CE2 4.35Å; F910-F914 HydrophobicContact CZ-CD2 4.41Å; F910-F914 AromaticContact CZ-CE2 3.65Å; F910-F914 HydrophobicContact CZ-CE2 3.65Å; F910-F914 HydrophobicContact CZ-CZ 4.45Å
911	Q	48.6	Very low	41.8	Very low	148 Å²	148	123.9 Å²	123.9	69%	0.692	66%	0.66	S	S	*	*	H	α-helix	trans	-79.7	-37.1	-175.1	-155.5	153.9	3	0	0	112	R907 N908 L913 F914	R907-Q911 PolarHBondContact O-N 3.02Å; N908-Q911 PolarHBondContact O-N 3.26Å; N908-Q911 VanDerWaalsContact O-N 3.07Å; Q911-L913 PolarHBondContact O-N 2.94Å; Q911-F914 PolarHBondContact O-N 3.45Å
912	D	48.9	Very low	41.3	Very low	141 Å²	141	128.4 Å²	128.4	75%	0.754	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-20.6	174.6	-64	-28.8	0	0	0	113.6
913	L	46.3	Very low	41	Very low	114 Å²	114	126.6 Å²	126.6	60%	0.597	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-5.5	-176.3	-85.6	165.4	0	0	0	114.9	Q911	Q911-L913 PolarHBondContact O-N 2.94Å
914	F	43.1	Very low	40.9	Very low	126 Å²	126	129.5 Å²	129.5	55%	0.553	69%	0.689	S	S	*	*	S	Bend	trans	-134.1	4.8	-174.2	-71.5	-76.7	0	0	0	115.5	F910 Q911	F910-F914 HydrophobicContact CD1-CD2 4.24Å; F910-F914 HydrophobicContact CD1-CE2 4.25Å; F910-F914 AromaticContact CE1-CD2 3.89Å; F910-F914 HydrophobicContact CE1-CD2 3.89Å; F910-F914 AromaticContact CE1-CE2 3.59Å; F910-F914 HydrophobicContact CE1-CE2 3.59Å; F910-F914 HydrophobicContact CE2-CE2 4.35Å; F910-F914 HydrophobicContact CZ-CD2 4.41Å; F910-F914 AromaticContact CZ-CE2 3.65Å; F910-F914 HydrophobicContact CZ-CE2 3.65Å; F910-F914 HydrophobicContact CZ-CZ 4.45Å; Q911-F914 PolarHBondContact O-N 3.45Å
915	G	34.7	Very low	40.5	Very low	68 Å²	68	132.3 Å²	132.3	70%	0.701	69%	0.69	S	S	*	*			trans	-84.2	120.6	172.7	0	0	0	0	0	112.4
916	T	37.6	Very low	40.3	Very low	126 Å²	126	126.8 Å²	126.8	77%	0.773	68%	0.684	S	S	*	*			trans	-114	119.1	179.3	53.2	0	0	0	0	113.2
917	S	35.3	Very low	39.7	Very low	113 Å²	113	129.1 Å²	129.1	79%	0.79	70%	0.695	S	S	*	*			trans	71	157	160.7	79.2	0	0	0	0	118.2
918	P	37.2	Very low	39.3	Very low	110 Å²	110	132.3 Å²	132.3	71%	0.714	71%	0.709	S	S	*	*			cis	-140.1	-175.3	-40.1	36.5	-19.4	0	0	0	114.4
919	Q	34.8	Very low	38.9	Very low	149 Å²	149	134.8 Å²	134.8	70%	0.696	71%	0.714	S	S	*	*			trans	90.1	121.4	145	-163.9	169.2	-3.3	0	0	120.1
920	E	36.1	Very low	38.3	Very low	162 Å²	162	134.4 Å²	134.4	76%	0.757	72%	0.717	S	S	*	*			trans	63.1	145.4	158.3	-74.4	153.4	-142.6	0	0	119.3
921	D	36.3	Very low	37.9	Very low	120 Å²	120	137.9 Å²	137.9	64%	0.642	73%	0.734	S	S	*	*			cis	-143	177.7	1.9	-163.3	15.2	0	0	0	112.6
922	R	37.1	Very low	37.3	Very low	222 Å²	222	138.5 Å²	138.5	84%	0.838	74%	0.742	S	S	*	*			trans	-29.6	143.8	-175.8	-59	134	-161.1	-148.3	-5.7	120.2
923	G	34.6	Very low	36.5	Very low	72 Å²	72	137 Å²	137	74%	0.742	75%	0.748	S	S	*	*			trans	175.6	72	161.7	0	0	0	0	0	119.5
924	S	37.6	Very low	36.2	Very low	120 Å²	120	136.2 Å²	136.2	84%	0.839	75%	0.753	S	S	*	*			trans	24.2	103.9	155.9	55.1	0	0	0	0	123
925	I	36.5	Very low	36.2	Very low	146 Å²	146	139.8 Å²	139.8	75%	0.749	77%	0.768	S	S	*	*				-11.3	149.2	129.9	-67.1	163.6	0	0	0	115.9	I927	I925-I927 HydrophobicContact CG2-CD1 4.31Å
926	P	39.9	Very low	36.8	Very low	110 Å²	110	139.5 Å²	139.5	71%	0.714	76%	0.755	S	S	*	*			cis	-125.4	148.9	23.9	13.9	12	0	0	0	117
927	I	35.7	Very low	37.9	Very low	128 Å²	128	136.3 Å²	136.3	66%	0.656	74%	0.736	S	S	*	*				56.1	97.8	89.4	-48.4	169.8	0	0	0	115.1	I925	I925-I927 HydrophobicContact CG2-CD1 4.31Å
928	Y	37	Very low	39.3	Very low	241 Å²	241	138.4 Å²	138.4	95%	0.945	73%	0.734	S	S	*	*			trans	-123.3	149.8	132.2	-114.7	-97.2	0	0	0	107.9
929	K	34.4	Very low	40.7	Very low	165 Å²	165	140.9 Å²	140.9	72%	0.717	73%	0.729	S	S	*	*			trans	-112.6	164.7	-168.6	-105.8	-170.4	179.6	-175.3	0	112.9
930	D	32.7	Very low	42.3	Very low	129 Å²	129	135.3 Å²	135.3	69%	0.69	71%	0.708	S	S	*	*			trans	62.6	92.5	158.4	-52.5	-30.4	0	0	0	117.6
931	H	32.3	Very low	44	Very low	185 Å²	185	134.4 Å²	134.4	86%	0.856	70%	0.698	S	S	*	*				171.2	94.8	120.7	-96.5	-78.7	0	0	0	111.2
932	L	35.5	Very low	45.8	Very low	162 Å²	162	132.9 Å²	132.9	85%	0.848	69%	0.693	S	S	*	*			trans	177.7	68.2	143.9	-119.4	71.6	0	0	0	112.7	S934	L932-S934 VanDerWaalsContact C-N 3.27Å; L932-S934 PolarHBondContact O-N 2.94Å
933	A	32	Very low	47.2	Very low	108 Å²	108	126.2 Å²	126.2	89%	0.893	67%	0.668	S	S	*	*			trans	-83.6	64.3	171.7	0	0	0	0	0	111.6	K935	A933-K935 PolarHBondContact O-N 3.49Å
934	S	39.4	Very low	49.1	Very low	99 Å²	99	126 Å²	126	69%	0.692	65%	0.649	S	S	*	*			trans	-76.5	122.3	-175.9	57.6	0	0	0	0	112.3	L932 S936	L932-S934 VanDerWaalsContact C-N 3.27Å; L932-S934 PolarHBondContact O-N 2.94Å; S934-S936 PolarHBondContact O-N 2.92Å
935	K	43.1	Very low	51	Low	200 Å²	200	126.9 Å²	126.9	87%	0.87	64%	0.638	S	S	*	*			trans	-70.1	111.7	174.6	-68.6	179	179.3	178.8	0	109.8	A933	A933-K935 PolarHBondContact O-N 3.49Å
936	S	46.9	Very low	53	Low	62 Å²	62	123.3 Å²	123.3	43%	0.434	62%	0.623	S	S	.	*			trans	-50.3	129	157.6	168.9	0	0	0	0	108.7	S934 R941	S934-S936 PolarHBondContact O-N 2.92Å; S936-R941 PolarHBondContact O-NH1 3.08Å
937	P	62.4	Low	54.5	Low	59 Å²	59	121.7 Å²	121.7	38%	0.383	61%	0.607	S	S	.	*			trans	-74.6	143.1	-166.4	29.3	-35.9	0	0	0	112	W939 A940	P937-W939 VanDerWaalsContact C-N 3.28Å; P937-W939 HydrophobicContact CB-CG 4.48Å; P937-W939 HydrophobicContact CG-CZ2 4.23Å; P937-W939 PolarHBondContact O-N 3.49Å; P937-A940 HydrophobicContact CG-CB 4.21Å; P937-A940 WeakPolarHBondContact O-CB 3.39Å; P937-A940 PolarHBondContact O-N 2.91Å
938	E	63.3	Low	56.5	Low	157 Å²	157	121.4 Å²	121.4	73%	0.734	60%	0.601	S	S	*	*	H	α-helix	trans	-62.8	-32.7	-172	-61.3	-168.5	150.5	0	0	113.3	A940 R941 T942	E938-A940 PolarHBondContact O-N 2.88Å; E938-R941 PolarHBondContact O-N 2.81Å; E938-R941 VanDerWaalsContact O-N 3.16Å; E938-T942 PolarHBondContact O-N 2.95Å; E938-T942 PolarHBondContact O-OG1 3.22Å
939	W	66.7	Low	58.5	Low	162 Å²	162	114.1 Å²	114.1	61%	0.614	58%	0.578	S	S	*	*	H	α-helix	trans	-57.5	-34.6	175.5	70.1	-106	0	0	0	112.5	P937 R943	P937-W939 VanDerWaalsContact C-N 3.28Å; P937-W939 HydrophobicContact CB-CG 4.48Å; P937-W939 HydrophobicContact CG-CZ2 4.23Å; P937-W939 PolarHBondContact O-N 3.49Å; W939-R943 WeakPolarHBondContact O-CB 3.34Å; W939-R943 WeakPolarHBondContact O-CG 3.21Å; W939-R943 PolarHBondContact O-N 2.73Å
940	A	69	Low	60.5	Low	32 Å²	32	108.2 Å²	108.2	26%	0.264	56%	0.555	S	S	.	*	H	α-helix	trans	-71.9	-42.1	178.9	0	0	0	0	0	111.3	P937 E938 T942 R943 L944	P937-A940 HydrophobicContact CG-CB 4.21Å; P937-A940 WeakPolarHBondContact O-CB 3.39Å; P937-A940 PolarHBondContact O-N 2.91Å; E938-A940 PolarHBondContact O-N 2.88Å; A940-T942 VanDerWaalsContact C-N 3.35Å; A940-T942 PolarHBondContact O-N 3.44Å; A940-R943 PolarHBondContact O-N 3.03Å; A940-L944 VanDerWaalsContact O-CB 3.32Å; A940-L944 WeakPolarHBondContact O-CB 3.32Å; A940-L944 PolarHBondContact O-N 3.45Å
941	R	72.3	Confident	62.7	Low	143 Å²	143	106 Å²	106	54%	0.54	54%	0.542	S	S	.	.	H	α-helix	trans	-61.8	-42.8	173	-66.9	-165.9	-175.6	83.6	0.8	111.5	S936 E938 L944 K945	S936-R941 PolarHBondContact O-NH1 3.08Å; E938-R941 PolarHBondContact O-N 2.81Å; E938-R941 VanDerWaalsContact O-N 3.16Å; R941-L944 PolarHBondContact O-N 3.18Å; R941-K945 WeakPolarHBondContact O-CB 3.45Å; R941-K945 PolarHBondContact O-N 2.88Å
942	T	73	Confident	64.9	Low	88 Å²	88	101.9 Å²	101.9	54%	0.54	52%	0.523	S	S	.	.	H	α-helix	trans	-66.1	-45.1	179	-60.2	0	0	0	0	111.9	E938 A940 K945 V946	E938-T942 PolarHBondContact O-N 2.95Å; E938-T942 PolarHBondContact O-OG1 3.22Å; A940-T942 VanDerWaalsContact C-N 3.35Å; A940-T942 PolarHBondContact O-N 3.44Å; T942-K945 PolarHBondContact O-N 2.86Å; T942-V946 WeakPolarHBondContact O-CG2 3.39Å; T942-V946 PolarHBondContact O-N 3.01Å
943	R	66.4	Low	66.9	Low	82 Å²	82	98.1 Å²	98.1	31%	0.309	50%	0.503	S	S	.	.	H	α-helix	trans	-62.9	-42.3	174.5	-73.2	-177.5	77.2	131.7	6	112.1	W939 A940 K945 V946 M947	W939-R943 WeakPolarHBondContact O-CB 3.34Å; W939-R943 WeakPolarHBondContact O-CG 3.21Å; W939-R943 PolarHBondContact O-N 2.73Å; A940-R943 PolarHBondContact O-N 3.03Å; R943-K945 VanDerWaalsContact C-N 3.32Å; R943-K945 PolarHBondContact O-N 3.34Å; R943-V946 PolarHBondContact O-N 2.92Å; R943-M947 WeakPolarHBondContact O-CB 3.31Å; R943-M947 PolarHBondContact O-N 3.41Å
944	L	75	Confident	69	Low	67 Å²	67	94 Å²	94	35%	0.351	47%	0.466	S	S	.	.	H	α-helix	trans	-65.7	-34.9	176.9	-170.6	67.1	0	0	0	112.1	A940 R941 K948	A940-L944 VanDerWaalsContact O-CB 3.32Å; A940-L944 WeakPolarHBondContact O-CB 3.32Å; A940-L944 PolarHBondContact O-N 3.45Å; R941-L944 PolarHBondContact O-N 3.18Å; L944-K948 WeakPolarHBondContact O-CG 3.47Å; L944-K948 PolarHBondContact O-N 3.25Å
945	K	77.4	Confident	71	Confident	139 Å²	139	91.9 Å²	91.9	60%	0.604	45%	0.451	S	S	*	.	H	α-helix	trans	-64.6	-50.7	172.7	-174.4	176.9	177.9	-177.6	0	111.3	R941 T942 R943 M947 K948 D949	R941-K945 WeakPolarHBondContact O-CB 3.45Å; R941-K945 PolarHBondContact O-N 2.88Å; T942-K945 PolarHBondContact O-N 2.86Å; R943-K945 VanDerWaalsContact C-N 3.32Å; R943-K945 PolarHBondContact O-N 3.34Å; K945-M947 VanDerWaalsContact C-N 3.26Å; K945-M947 PolarHBondContact O-N 2.97Å; K945-K948 PolarHBondContact O-N 3.49Å; K945-K948 VanDerWaalsContact O-N 3.08Å; K945-D949 WeakPolarHBondContact O-CB 3.49Å; K945-D949 VanDerWaalsContact O-CG 3.28Å; K945-D949 PolarHBondContact O-N 3.31Å
946	V	77.7	Confident	72.9	Confident	72 Å²	72	87.7 Å²	87.7	44%	0.436	43%	0.433	S	S	.	.	H	α-helix	trans	-56.4	-39.9	175.8	170.1	0	0	0	0	111.7	T942 R943 D949 L950	T942-V946 WeakPolarHBondContact O-CG2 3.39Å; T942-V946 PolarHBondContact O-N 3.01Å; R943-V946 PolarHBondContact O-N 2.92Å; V946-D949 PolarHBondContact O-N 3.46Å; V946-L950 HydrophobicContact CG1-CD1 4.11Å; V946-L950 WeakPolarHBondContact O-CB 2.87Å; V946-L950 PolarHBondContact O-N 2.93Å
947	M	72.5	Confident	74.3	Confident	75 Å²	75	86.3 Å²	86.3	37%	0.369	42%	0.422	S	S	.	.	H	α-helix	trans	-64.7	-44.9	175	-177	-179.6	172.9	0	0	112.4	R943 K945 L950 I951	R943-M947 WeakPolarHBondContact O-CB 3.31Å; R943-M947 PolarHBondContact O-N 3.41Å; K945-M947 VanDerWaalsContact C-N 3.26Å; K945-M947 PolarHBondContact O-N 2.97Å; M947-L950 PolarHBondContact O-N 2.84Å; M947-I951 HydrophobicContact CE-CD1 4.03Å; M947-I951 HydrophobicContact CG-CD1 3.94Å; M947-I951 VanDerWaalsContact O-CG1 3.28Å; M947-I951 WeakPolarHBondContact O-CG1 3.49Å; M947-I951 PolarHBondContact O-N 2.94Å
948	K	77.2	Confident	75.1	Confident	122 Å²	122	88 Å²	88	53%	0.53	43%	0.427	S	S	.	.	H	α-helix	trans	-63.3	-42.1	174.8	-75.6	-177.4	177.5	-172.6	0	112	L944 K945 I951 H952	L944-K948 WeakPolarHBondContact O-CG 3.47Å; L944-K948 PolarHBondContact O-N 3.25Å; K945-K948 PolarHBondContact O-N 3.49Å; K945-K948 VanDerWaalsContact O-N 3.08Å; K948-I951 PolarHBondContact O-N 3.42Å; K948-H952 VanDerWaalsContact O-CB 3.3Å; K948-H952 WeakPolarHBondContact O-CB 3.45Å; K948-H952 PolarHBondContact O-N 2.86Å
949	D	78.9	Confident	76.1	Confident	88 Å²	88	84.4 Å²	84.4	47%	0.471	41%	0.412	S	S	.	.	H	α-helix	trans	-64.5	-40.6	177.8	-67.2	-24.8	0	0	0	111.1	K945 V946 L953	K945-D949 WeakPolarHBondContact O-CB 3.49Å; K945-D949 VanDerWaalsContact O-CG 3.28Å; K945-D949 PolarHBondContact O-N 3.31Å; V946-D949 PolarHBondContact O-N 3.46Å; D949-L953 VanDerWaalsContact O-CB 3.24Å; D949-L953 WeakPolarHBondContact O-CB 3.25Å; D949-L953 PolarHBondContact O-N 3.33Å
950	L	76.6	Confident	76.7	Confident	42 Å²	42	82.6 Å²	82.6	22%	0.22	41%	0.411	C	S	.	.	H	α-helix	trans	-63.5	-46.7	172.9	-88.4	165.1	0	0	0	112.9	L892 L895 V946 M947 H952 L953 L954	L892-L950 HydrophobicContact CD1-CB 3.92Å; L892-L950 HydrophobicContact CD1-CD1 4.15Å; L895-L950 HydrophobicContact CD1-CD1 3.88Å; V946-L950 HydrophobicContact CG1-CD1 4.11Å; V946-L950 WeakPolarHBondContact O-CB 2.87Å; V946-L950 PolarHBondContact O-N 2.93Å; M947-L950 PolarHBondContact O-N 2.84Å; L950-H952 VanDerWaalsContact C-N 3.35Å; L950-L953 PolarHBondContact O-N 3.26Å; L950-L954 WeakPolarHBondContact O-CB 3.32Å; L950-L954 WeakPolarHBondContact O-CG 3.28Å; L950-L954 PolarHBondContact O-N 3.43Å
951	I	78.8	Confident	76.8	Confident	81 Å²	81	84.3 Å²	84.3	42%	0.415	41%	0.414	S	S	.	.	H	α-helix	trans	-63.2	-42.4	177.9	-70	165.7	0	0	0	110.5	L892 M947 K948 L954 S955	L892-I951 HydrophobicContact CD2-CG1 4.48Å; M947-I951 HydrophobicContact CE-CD1 4.03Å; M947-I951 HydrophobicContact CG-CD1 3.94Å; M947-I951 VanDerWaalsContact O-CG1 3.28Å; M947-I951 WeakPolarHBondContact O-CG1 3.49Å; M947-I951 PolarHBondContact O-N 2.94Å; K948-I951 PolarHBondContact O-N 3.42Å; I951-L954 PolarHBondContact O-N 2.79Å; I951-S955 WeakPolarHBondContact O-CB 3.44Å; I951-S955 PolarHBondContact O-N 3.11Å
952	H	78.2	Confident	77.2	Confident	99 Å²	99	83.8 Å²	83.8	46%	0.458	42%	0.418	S	S	.	.	H	α-helix	trans	-68.6	-34.8	177.8	-172.1	47.4	0	0	0	112.4	K948 L950 K956	K948-H952 VanDerWaalsContact O-CB 3.3Å; K948-H952 WeakPolarHBondContact O-CB 3.45Å; K948-H952 PolarHBondContact O-N 2.86Å; L950-H952 VanDerWaalsContact C-N 3.35Å; H952-K956 VanDerWaalsContact NE2-CE 3.28Å; H952-K956 WeakPolarHBondContact NE2-CE 3.4Å; H952-K956 PolarHBondContact NE2-NZ 2.81Å; H952-K956 WeakPolarHBondContact O-CB 3.28Å; H952-K956 WeakPolarHBondContact O-CG 3.5Å; H952-K956 PolarHBondContact O-N 3.38Å
953	L	77.1	Confident	77.6	Confident	83 Å²	83	85.1 Å²	85.1	44%	0.435	42%	0.418	S	S	.	.	H	α-helix	trans	-68.4	-39.5	172.9	-174.9	63.3	0	0	0	112.1	D949 L950 K956 T957	D949-L953 VanDerWaalsContact O-CB 3.24Å; D949-L953 WeakPolarHBondContact O-CB 3.25Å; D949-L953 PolarHBondContact O-N 3.33Å; L950-L953 PolarHBondContact O-N 3.26Å; L953-K956 PolarHBondContact O-N 3.03Å; L953-T957 WeakPolarHBondContact O-CB 3.38Å; L953-T957 PolarHBondContact O-N 3.16Å; L953-T957 PolarHBondContact O-OG1 3.05Å
954	L	78	Confident	78.1	Confident	22 Å²	22	84.7 Å²	84.7	12%	0.115	42%	0.424	C	S	.	.	H	α-helix	trans	-62.4	-47.3	172.4	-78.1	168.3	0	0	0	111.2	R888 L950 I951 K956 T957 L958	R888-L954 HydrophobicContact CB-CD2 3.96Å; L950-L954 WeakPolarHBondContact O-CB 3.32Å; L950-L954 WeakPolarHBondContact O-CG 3.28Å; L950-L954 PolarHBondContact O-N 3.43Å; I951-L954 PolarHBondContact O-N 2.79Å; L954-K956 PolarHBondContact O-N 2.85Å; L954-T957 WeakPolarHBondContact O-CB 3.47Å; L954-T957 PolarHBondContact O-N 3.22Å; L954-T957 VanDerWaalsContact O-N 3.11Å; L954-L958 WeakPolarHBondContact O-CG 3.3Å; L954-L958 PolarHBondContact O-N 3Å
955	S	80.6	Confident	78.2	Confident	54 Å²	54	86.7 Å²	86.7	38%	0.378	44%	0.435	S	S	.	.	H	α-helix	trans	-55.6	-48.4	174.6	171.6	0	0	0	0	112	I951 T957 L958 I959	I951-S955 WeakPolarHBondContact O-CB 3.44Å; I951-S955 PolarHBondContact O-N 3.11Å; S955-T957 VanDerWaalsContact C-N 3.33Å; S955-T957 PolarHBondContact O-N 3.3Å; S955-L958 PolarHBondContact O-N 2.93Å; S955-I959 WeakPolarHBondContact O-CG1 3.22Å; S955-I959 PolarHBondContact O-N 2.97Å
956	K	82.2	Confident	78.4	Confident	113 Å²	113	83 Å²	83	49%	0.491	42%	0.424	S	S	.	.	H	α-helix	trans	-59.4	-40.9	174.4	-80.7	169.1	164.8	163	0	112.8	H952 L953 L954 I959 Q960	H952-K956 VanDerWaalsContact NE2-CE 3.28Å; H952-K956 WeakPolarHBondContact NE2-CE 3.4Å; H952-K956 PolarHBondContact NE2-NZ 2.81Å; H952-K956 WeakPolarHBondContact O-CB 3.28Å; H952-K956 WeakPolarHBondContact O-CG 3.5Å; H952-K956 PolarHBondContact O-N 3.38Å; L953-K956 PolarHBondContact O-N 3.03Å; L954-K956 PolarHBondContact O-N 2.85Å; K956-I959 PolarHBondContact O-N 2.74Å; K956-Q960 WeakPolarHBondContact O-CB 3.44Å; K956-Q960 PolarHBondContact O-N 3.18Å
957	T	77	Confident	78.4	Confident	33 Å²	33	86 Å²	86	20%	0.202	43%	0.433	C	S	.	.	H	α-helix	trans	-64.9	-39.7	177.9	-51.3	0	0	0	0	111.5	L953 L954 S955 M961	L953-T957 WeakPolarHBondContact O-CB 3.38Å; L953-T957 PolarHBondContact O-N 3.16Å; L953-T957 PolarHBondContact O-OG1 3.05Å; L954-T957 WeakPolarHBondContact O-CB 3.47Å; L954-T957 PolarHBondContact O-N 3.22Å; L954-T957 VanDerWaalsContact O-N 3.11Å; S955-T957 VanDerWaalsContact C-N 3.33Å; S955-T957 PolarHBondContact O-N 3.3Å; T957-M961 WeakPolarHBondContact O-CB 3.45Å; T957-M961 PolarHBondContact O-N 2.74Å
958	L	79.6	Confident	78.6	Confident	95 Å²	95	85.6 Å²	85.6	50%	0.497	44%	0.435	S	S	.	.	H	α-helix	trans	-69.3	-41.3	176.9	-69.6	169.3	0	0	0	112.3	L954 S955 M961 Q962	L954-L958 WeakPolarHBondContact O-CG 3.3Å; L954-L958 PolarHBondContact O-N 3Å; S955-L958 PolarHBondContact O-N 2.93Å; L958-M961 WeakPolarHBondContact O-CB 3.5Å; L958-M961 PolarHBondContact O-N 2.89Å; L958-Q962 PolarHBondContact O-N 2.75Å
959	I	83.8	Confident	78.6	Confident	80 Å²	80	84.9 Å²	84.9	41%	0.41	43%	0.433	S	S	.	.	H	α-helix	trans	-63.1	-43.6	175.4	-66.8	163.3	0	0	0	110.6	S955 K956 M961 Q962 Q963	S955-I959 WeakPolarHBondContact O-CG1 3.22Å; S955-I959 PolarHBondContact O-N 2.97Å; K956-I959 PolarHBondContact O-N 2.74Å; I959-M961 VanDerWaalsContact C-N 3.31Å; I959-M961 PolarHBondContact O-N 3.24Å; I959-Q962 PolarHBondContact O-N 3.36Å; I959-Q963 WeakPolarHBondContact O-CG 3.39Å; I959-Q963 PolarHBondContact O-N 3.19Å
960	Q	79	Confident	78.6	Confident	125 Å²	125	85.8 Å²	85.8	58%	0.584	44%	0.435	S	S	*	.	H	α-helix	trans	-63.8	-36.8	175.3	-172.8	178	3.7	0	0	112	K956 T964	K956-Q960 WeakPolarHBondContact O-CB 3.44Å; K956-Q960 PolarHBondContact O-N 3.18Å; Q960-T964 WeakPolarHBondContact O-CB 3.5Å; Q960-T964 PolarHBondContact O-N 3.07Å; Q960-T964 PolarHBondContact O-OG1 3.26Å
961	M	71.7	Confident	78.5	Confident	67 Å²	67	85.2 Å²	85.2	33%	0.33	44%	0.439	S	S	.	.	H	α-helix	trans	-64.8	-44	174.1	-174.1	-176.2	-64.5	0	0	111.7	F881 V885 T957 L958 I959 T964 L965	F881-M961 HydrophobicContact CB-CE 4.19Å; V885-M961 HydrophobicContact CG2-CE 4.25Å; T957-M961 WeakPolarHBondContact O-CB 3.45Å; T957-M961 PolarHBondContact O-N 2.74Å; L958-M961 WeakPolarHBondContact O-CB 3.5Å; L958-M961 PolarHBondContact O-N 2.89Å; I959-M961 VanDerWaalsContact C-N 3.31Å; I959-M961 PolarHBondContact O-N 3.24Å; M961-T964 PolarHBondContact O-N 3.29Å; M961-L965 WeakPolarHBondContact O-CB 3.12Å; M961-L965 PolarHBondContact O-N 3.17Å
962	Q	79.8	Confident	78.3	Confident	133 Å²	133	85.2 Å²	85.2	62%	0.621	44%	0.439	S	S	*	.	H	α-helix	trans	-59.6	-48.7	175.4	-176.2	-178.7	-3.5	0	0	111.3	L958 I959 T964 L965 T966	L958-Q962 PolarHBondContact O-N 2.75Å; I959-Q962 PolarHBondContact O-N 3.36Å; Q962-T964 VanDerWaalsContact C-N 3.33Å; Q962-T964 PolarHBondContact O-N 3.4Å; Q962-L965 PolarHBondContact O-N 2.87Å; Q962-T966 PolarHBondContact O-N 3.36Å; Q962-T966 PolarHBondContact O-OG1 3Å; Q962-T966 VanDerWaalsContact O-OG1 3.14Å
963	Q	82.7	Confident	78	Confident	116 Å²	116	85 Å²	85	54%	0.542	44%	0.438	S	S	.	.	H	α-helix	trans	-58.6	-43.2	176.4	-71.3	172.8	-16.8	0	0	112.3	I959 T966 Q967	I959-Q963 WeakPolarHBondContact O-CG 3.39Å; I959-Q963 PolarHBondContact O-N 3.19Å; Q963-T966 PolarHBondContact O-N 3.4Å; Q963-Q967 WeakPolarHBondContact O-CG 3.43Å; Q963-Q967 PolarHBondContact O-N 3.11Å
964	T	76.8	Confident	77.8	Confident	73 Å²	73	86.3 Å²	86.3	45%	0.448	45%	0.445	S	S	.	.	H	α-helix	trans	-65.6	-40	177.1	-51	0	0	0	0	111.4	Q960 M961 Q962 Q967 V968	Q960-T964 WeakPolarHBondContact O-CB 3.5Å; Q960-T964 PolarHBondContact O-N 3.07Å; Q960-T964 PolarHBondContact O-OG1 3.26Å; M961-T964 PolarHBondContact O-N 3.29Å; Q962-T964 VanDerWaalsContact C-N 3.33Å; Q962-T964 PolarHBondContact O-N 3.4Å; T964-Q967 PolarHBondContact O-N 2.59Å; T964-V968 WeakPolarHBondContact O-CG2 3.49Å; T964-V968 PolarHBondContact O-N 2.76Å
965	L	76.5	Confident	77	Confident	108 Å²	108	90 Å²	90	57%	0.565	46%	0.464	S	S	*	.	H	α-helix	trans	-64.4	-42.6	176.8	-161.3	82.8	0	0	0	111.3	M961 Q962 Q967 V968 Q969	M961-L965 WeakPolarHBondContact O-CB 3.12Å; M961-L965 PolarHBondContact O-N 3.17Å; Q962-L965 PolarHBondContact O-N 2.87Å; L965-Q967 PolarHBondContact O-N 3.14Å; L965-V968 PolarHBondContact O-N 3.04Å; L965-Q969 PolarHBondContact O-N 3.09Å
966	T	81.3	Confident	76.3	Confident	62 Å²	62	94.1 Å²	94.1	38%	0.38	48%	0.478	S	S	.	.	H	α-helix	trans	-62.5	-40.4	174.9	-57.4	0	0	0	0	112	Q962 Q963 Q969 Q970	Q962-T966 PolarHBondContact O-N 3.36Å; Q962-T966 PolarHBondContact O-OG1 3Å; Q962-T966 VanDerWaalsContact O-OG1 3.14Å; Q963-T966 PolarHBondContact O-N 3.4Å; T966-Q969 PolarHBondContact O-N 3.37Å; T966-Q970 WeakPolarHBondContact O-CB 3.13Å; T966-Q970 WeakPolarHBondContact O-CG 3.48Å; T966-Q970 PolarHBondContact O-N 2.82Å
967	Q	78.2	Confident	75.1	Confident	135 Å²	135	96.1 Å²	96.1	63%	0.631	49%	0.486	S	S	*	.	H	α-helix	trans	-64.5	-38.5	173.9	-74.6	178.5	2	0	0	112.6	Q963 T964 L965 G971	Q963-Q967 WeakPolarHBondContact O-CG 3.43Å; Q963-Q967 PolarHBondContact O-N 3.11Å; T964-Q967 PolarHBondContact O-N 2.59Å; L965-Q967 PolarHBondContact O-N 3.14Å; Q967-G971 PolarHBondContact O-N 3.42Å
968	V	77	Confident	73.7	Confident	66 Å²	66	98.7 Å²	98.7	40%	0.4	50%	0.504	S	S	.	.	H	α-helix	trans	-67.2	-40.4	174.4	170.7	0	0	0	0	111.1	T964 L965 G971 I972	T964-V968 WeakPolarHBondContact O-CG2 3.49Å; T964-V968 PolarHBondContact O-N 2.76Å; L965-V968 PolarHBondContact O-N 3.04Å; V968-G971 CarbonylContact O-C 3.45Å; V968-G971 PolarHBondContact O-N 3.25Å; V968-I972 HydrophobicContact CG1-CD1 3.93Å; V968-I972 WeakPolarHBondContact O-CG1 3.37Å; V968-I972 PolarHBondContact O-N 3.34Å
969	Q	76.7	Confident	72	Confident	108 Å²	108	98.9 Å²	98.9	51%	0.505	51%	0.511	S	S	.	.	H	α-helix	trans	-63	-48.6	175.7	-175	-177.5	-29.3	0	0	111.6	L965 T966 G971 I972 E973	L965-Q969 PolarHBondContact O-N 3.09Å; T966-Q969 PolarHBondContact O-N 3.37Å; Q969-G971 PolarHBondContact O-N 3.1Å; Q969-I972 PolarHBondContact O-N 2.9Å; Q969-E973 WeakPolarHBondContact CG-OE1 3.48Å; Q969-E973 PolarHBondContact NE2-OE1 3.19Å; Q969-E973 PolarHBondContact O-N 3.24Å
970	Q	78.5	Confident	70.1	Confident	106 Å²	106	100.5 Å²	100.5	50%	0.495	53%	0.529	S	S	.	.	H	α-helix	trans	-58.9	-36.9	174	-72.2	171.7	-18.3	0	0	111.9	T966 I972 L974	T966-Q970 WeakPolarHBondContact O-CB 3.13Å; T966-Q970 WeakPolarHBondContact O-CG 3.48Å; T966-Q970 PolarHBondContact O-N 2.82Å; Q970-I972 VanDerWaalsContact C-N 3.34Å; Q970-L974 WeakPolarHBondContact O-CB 3.27Å; Q970-L974 VanDerWaalsContact O-CG 3.32Å; Q970-L974 WeakPolarHBondContact O-CG 3.24Å; Q970-L974 PolarHBondContact O-N 2.94Å; Q970-L974 VanDerWaalsContact O-N 3.09Å
971	G	74.9	Confident	68.2	Low	30 Å²	30	101.3 Å²	101.3	31%	0.309	54%	0.537	S	S	.	.	H	α-helix	trans	-66.6	-30.8	173.2	0	0	0	0	0	114	Q967 V968 Q969 L975	Q967-G971 PolarHBondContact O-N 3.42Å; V968-G971 CarbonylContact O-C 3.45Å; V968-G971 PolarHBondContact O-N 3.25Å; Q969-G971 PolarHBondContact O-N 3.1Å; G971-L975 WeakPolarHBondContact O-CD1 3.5Å; G971-L975 WeakPolarHBondContact O-CG 3.23Å
972	I	73.8	Confident	66.7	Low	81 Å²	81	106 Å²	106	42%	0.415	56%	0.563	S	S	.	*	H	α-helix	trans	-76.8	-44.2	174.5	-69.6	163.6	0	0	0	110.4	V968 Q969 Q970 L974 L975 E976	V968-I972 HydrophobicContact CG1-CD1 3.93Å; V968-I972 WeakPolarHBondContact O-CG1 3.37Å; V968-I972 PolarHBondContact O-N 3.34Å; Q969-I972 PolarHBondContact O-N 2.9Å; Q970-I972 VanDerWaalsContact C-N 3.34Å; I972-L974 VanDerWaalsContact C-N 3.28Å; I972-L974 PolarHBondContact O-N 3.47Å; I972-L975 WeakPolarHBondContact O-CA 3.38Å; I972-L975 PolarHBondContact O-N 2.95Å; I972-E976 PolarHBondContact O-N 2.9Å
973	E	73.3	Confident	64.7	Low	94 Å²	94	108 Å²	108	44%	0.439	57%	0.572	S	S	.	*	H	α-helix	trans	-57.8	-39.9	176.5	-72.1	168.4	-167.5	0	0	111.5	Q969 L975 F977	Q969-E973 WeakPolarHBondContact CG-OE1 3.48Å; Q969-E973 PolarHBondContact NE2-OE1 3.19Å; Q969-E973 PolarHBondContact O-N 3.24Å; E973-L975 VanDerWaalsContact C-N 3.26Å; E973-L975 PolarHBondContact O-N 2.71Å; E973-F977 PolarHBondContact O-N 2.66Å
974	L	71.9	Confident	62.6	Low	112 Å²	112	108.9 Å²	108.9	59%	0.586	58%	0.581	S	S	*	*	H	α-helix	trans	-70	-13.9	173.8	-73.9	170.1	0	0	0	115.2	Q970 I972	Q970-L974 WeakPolarHBondContact O-CB 3.27Å; Q970-L974 VanDerWaalsContact O-CG 3.32Å; Q970-L974 WeakPolarHBondContact O-CG 3.24Å; Q970-L974 PolarHBondContact O-N 2.94Å; Q970-L974 VanDerWaalsContact O-N 3.09Å; I972-L974 VanDerWaalsContact C-N 3.28Å; I972-L974 PolarHBondContact O-N 3.47Å
975	L	62	Low	60.8	Low	99 Å²	99	112.8 Å²	112.8	52%	0.518	60%	0.599	S	S	.	*	H	α-helix	trans	-100.8	-32.3	177.6	-72.7	171.5	0	0	0	112.5	M862 G971 I972 E973	M862-L975 HydrophobicContact CE-CD1 3.53Å; M862-L975 HydrophobicContact CE-CD2 4.23Å; M862-L975 HydrophobicContact SD-CD1 3.85Å; M862-L975 HydrophobicContact SD-CD2 3.58Å; M862-L975 VanDerWaalsContact SD-CD2 3.58Å; M862-L975 HydrophobicContact SD-CG 4.33Å; G971-L975 WeakPolarHBondContact O-CD1 3.5Å; G971-L975 WeakPolarHBondContact O-CG 3.23Å; I972-L975 WeakPolarHBondContact O-CA 3.38Å; I972-L975 PolarHBondContact O-N 2.95Å; E973-L975 VanDerWaalsContact C-N 3.26Å; E973-L975 PolarHBondContact O-N 2.71Å
976	E	65.6	Low	59	Low	141 Å²	141	115 Å²	115	66%	0.659	61%	0.61	S	S	*	*	H	α-helix	trans	-77.1	-33.1	173.7	-163.7	159.9	-137.1	0	0	111	I972	I972-E976 PolarHBondContact O-N 2.9Å
977	F	57.2	Low	57	Low	154 Å²	154	121.6 Å²	121.6	68%	0.675	63%	0.633	S	S	*	*	S	Bend	trans	-126.5	79.1	172.5	-59.2	-82.1	0	0	0	111	E973	E973-F977 PolarHBondContact O-N 2.66Å
978	P	47.5	Very low	55	Low	87 Å²	87	120.8 Å²	120.8	57%	0.565	64%	0.638	S	S	*	*			trans	-59.9	135.6	169.5	26.8	-34.3	0	0	0	109.5	S980	P978-S980 PolarHBondContact O-N 2.68Å
979	P	44.6	Very low	53	Low	100 Å²	100	122.2 Å²	122.2	65%	0.649	65%	0.651	S	S	*	*			trans	-65.9	103.7	-175	25.2	-33.9	0	0	0	111	N981	P979-N981 PolarHBondContact O-N 3.47Å
980	S	42.1	Very low	51	Low	113 Å²	113	126.1 Å²	126.1	79%	0.79	67%	0.671	S	S	*	*	S	Bend	trans	-75.9	44.1	-173.5	48.8	0	0	0	0	114	P978	P978-S980 PolarHBondContact O-N 2.68Å
981	N	40.3	Very low	48.9	Very low	142 Å²	142	128.6 Å²	128.6	76%	0.759	69%	0.688	S	S	*	*			trans	-152.7	55.2	-179	-91.6	-63.6	0	0	0	112	P979	P979-N981 PolarHBondContact O-N 3.47Å
982	L	39.7	Very low	47.1	Very low	166 Å²	166	132.7 Å²	132.7	87%	0.869	71%	0.706	S	S	*	*	S	Bend	trans	-147.5	35.2	176	-149.6	75.2	0	0	0	116.5
983	E	37.3	Very low	45.3	Very low	175 Å²	175	137.5 Å²	137.5	82%	0.818	72%	0.724	S	S	*	*	S	Bend	trans	-133.7	-13.6	170.8	-120.9	174.1	147.8	0	0	116.4	N985	E983-N985 VanDerWaalsContact C-N 3.32Å; E983-N985 PolarHBondContact O-N 3.07Å
984	D	40.3	Very low	43.6	Very low	135 Å²	135	139.4 Å²	139.4	72%	0.722	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-11	-177.2	-73.2	-44.7	0	0	0	115.7
985	N	38.2	Very low	42	Very low	154 Å²	154	139.1 Å²	139.1	82%	0.824	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	10.8	-171.6	-84.4	-56.1	0	0	0	116	E983	E983-N985 VanDerWaalsContact C-N 3.32Å; E983-N985 PolarHBondContact O-N 3.07Å
986	I	39	Very low	40.9	Very low	154 Å²	154	140.3 Å²	140.3	79%	0.79	76%	0.759	S	S	*	*	S	Bend	trans	-112.7	-9.9	178.6	-63.6	-178.6	0	0	0	113.2
987	K	39.5	Very low	39.6	Very low	201 Å²	201	140 Å²	140	87%	0.874	76%	0.762	S	S	*	*	S	Bend	trans	-89.1	1.1	178.4	-79.6	177.7	178.1	167.2	0	115.4
988	T	36.6	Very low	38.9	Very low	119 Å²	119	137.7 Å²	137.7	73%	0.73	76%	0.761	S	S	*	*	S	Bend	trans	-119.2	34.2	-162.9	-33.5	0	0	0	0	114.3
989	S	33.8	Very low	38.6	Very low	96 Å²	96	140.2 Å²	140.2	67%	0.671	77%	0.769	S	S	*	*	S	Bend	trans	-149.5	41.9	178.9	60.3	0	0	0	0	116.9
990	M	34.7	Very low	38.6	Very low	189 Å²	189	140.9 Å²	140.9	93%	0.931	77%	0.772	S	S	*	*			trans	-164.2	68	153.9	-111.7	168.4	-144.6	0	0	113.1
991	N	34.4	Very low	38.5	Very low	159 Å²	159	142 Å²	142	85%	0.85	77%	0.769	S	S	*	*			trans	-114.6	112.2	161.7	-172.1	-4	0	0	0	108.8
992	V	37.7	Very low	38.6	Very low	115 Å²	115	140.6 Å²	140.6	70%	0.697	77%	0.769	S	S	*	*			trans	-127.5	91.2	-177	-177.8	0	0	0	0	110.2
993	K	36.5	Very low	39	Very low	183 Å²	183	137.6 Å²	137.6	80%	0.796	76%	0.759	S	S	*	*			trans	63.2	146.4	155.4	-54	178.6	-179.6	-179.8	0	115.3
994	T	36.3	Very low	39.1	Very low	133 Å²	133	135.4 Å²	135.4	82%	0.816	75%	0.753	S	S	*	*			cis	-146.1	147.4	29.6	-47.9	0	0	0	0	109.4
995	P	38.8	Very low	39	Very low	106 Å²	106	135.5 Å²	135.5	69%	0.688	76%	0.759	S	S	*	*			trans	-103	167.3	-163.7	40	-36.6	0	0	0	114.8
996	T	39.3	Very low	39	Very low	124 Å²	124	135 Å²	135	76%	0.761	75%	0.752	S	S	*	*			trans	-157.2	120.3	140.7	22.6	0	0	0	0	106.4
997	N	38.8	Very low	39.1	Very low	136 Å²	136	133.4 Å²	133.4	73%	0.727	75%	0.749	S	S	*	*				71.5	130.9	94.4	-69.2	18.8	0	0	0	112.6
998	T	41.7	Very low	39	Very low	105 Å²	105	131.4 Å²	131.4	64%	0.644	74%	0.74	S	S	*	*			cis	-160.5	146.2	7.5	10.2	0	0	0	0	110.1
999	D	41.6	Very low	39.1	Very low	139 Å²	139	134 Å²	134	74%	0.743	74%	0.744	S	S	*	*			trans	49.3	148.6	135.9	-49.8	-10.2	0	0	0	120.5
1000	T	43.2	Very low	39	Very low	115 Å²	115	135.2 Å²	135.2	71%	0.706	75%	0.747	S	S	*	*			cis	-157.4	140.5	29.3	-26.2	0	0	0	0	112.3
1001	N	41.2	Very low	39.4	Very low	136 Å²	136	135.4 Å²	135.4	73%	0.727	76%	0.763	S	S	*	*			trans	38.9	134.8	147.7	-58.6	-9	0	0	0	122.5
1002	C	43	Very low	39.6	Very low	113 Å²	113	134.3 Å²	134.3	76%	0.764	76%	0.758	S	S	*	*			cis	94.6	154.9	32.2	-71.1	0	0	0	0	114.9
1003	P	46.4	Very low	39.7	Very low	103 Å²	103	135.3 Å²	135.3	67%	0.669	76%	0.761	S	S	*	*			cis	-144.5	-138	-41	41.6	-21.2	0	0	0	112.1
1004	D	39.5	Very low	39.9	Very low	128 Å²	128	132.6 Å²	132.6	68%	0.684	76%	0.759	S	S	*	*			trans	77.2	143	164.6	-61.2	-40.7	0	0	0	119
1005	T	39.5	Very low	40.1	Very low	137 Å²	137	132.6 Å²	132.6	84%	0.84	76%	0.756	S	S	*	*			cis	-134.4	163.9	11.4	-31.4	0	0	0	0	113.3
1006	Q	38	Very low	40.2	Very low	144 Å²	144	134.3 Å²	134.3	67%	0.673	76%	0.76	S	S	*	*			trans	-75.3	165.6	178.8	-55.5	169.1	34.6	0	0	111.4
1007	T	40.4	Very low	40.3	Very low	120 Å²	120	134.9 Å²	134.9	74%	0.736	76%	0.76	S	S	*	*				-161.9	143.1	59.7	41.8	0	0	0	0	111.7
1008	K	37.8	Very low	40.4	Very low	160 Å²	160	134.9 Å²	134.9	70%	0.696	76%	0.763	S	S	*	*				42.3	131.4	91.3	-60.4	-179.5	175.5	175.2	0	114
1009	H	39.5	Very low	40.3	Very low	172 Å²	172	137.2 Å²	137.2	80%	0.796	77%	0.772	S	S	*	*			cis	-147.4	168.1	36.6	-117.9	-82.4	0	0	0	113.8
1010	V	30.8	Very low	40.1	Very low	123 Å²	123	137 Å²	137	75%	0.745	77%	0.774	S	S	*	*			trans	-131.9	146.1	178	167.9	0	0	0	0	109.7
1011	P	42.4	Very low	39.9	Very low	193 Å²	193	139 Å²	139	100%	1.253	78%	0.78	S	S	*	*			trans	-101.1	0	144.6	34.9	-25.7	0	0	0	111.8

Retrieved 1,011 of 1,011 residues in 284.7 ms (Link to these results)

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