A0A075BLT1_DROME Loading...

Piwi

AlphaFold DB , UniProt , Accession A0A075BLT1, Species DROME (Drosophila melanogaster, Fruit fly), Gene piwi, Length 843 aa.

						>A0A075BLT1_DROME|A0A075BLT1|piwi
MADDQGRGRRRPLNEDDSSTSRGSGDGPRVKVFRGSSSGDPRADPRIEASRERRALEEAPRRECGPPERKPWGDQYDYLNTRPAELVSKKGTDGVPVMLQTNFFRLKTKPEWRIVHYHVEFEPSIENPRVRMGVLSNHANLLGSGYLFDGLQLFTTRKFEQEITVLSGKSKLDIEYKISIKFVGFISCAEPRFLQVLNLILRRSMKGLNLELVGRNLFDPRAKIEIREFKMELWPGYETSIRQHEKDILLGTEITHKVMRTETIYDIMRRCSHNPARHQDEVRVNVLDLIVLTDYNNRTYRINDVDFGQTPKSTFSCKGRDISFVEYYLTKYNIRIRDHNQPLLISKNRDKAQKTNASELVVLIPELCRVTGLNAEMRSNFQLMRAMSSYTRMNPKQRTDRLRAFNHRLQNTPESVKVLRDWNMELDKNVTEVQGRIIGQQNIVFHNGKVPAGENADWQRHFRDQRMLTTPSDGLDRWAVIAPQRNSHELRTLLDSLYRAASGMGLRIRSPQEFIIYDDRTGTYVRAMDDCVRSDPKLILCLVPNDNAERYSSIKKRGYVDRAVPTQVVTLKTTKNRSLMSIATKIAIQLNCKLGYTPWMIELPLSGLMTIGFDIAKSTRDRKRAYGALIASMDLQQNSTYFSTVTECSAFDVLANTLWPMIAKALRQYQHEHRKLPSRIVFYRDGVSSGSLKQLFEFEVKDIIEKLKTEYARVQLSPPQLAYIVVTRSMNTRFFLNGQNPPPGTIVDDVITLPERYDFYLVSQQVRQGTVSPTSYNVLYSSMGLSPEKMQKLTYKMCHLYYNWSGTTRVPAVCQYAKKLATLVGTNLHSIPQNALEKKFYYL
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.4	Very low	31.6	Very low	239 Å²	239	173.4 Å²	173.4	100%	1.177	85%	0.854	S	S	*	*				0	93.4	0	-63.8	170.1	-177.8	0	0	105.4
2	A	30.3	Very low	32.8	Very low	83 Å²	83	167.8 Å²	167.8	69%	0.686	84%	0.841	S	S	*	*			cis	79.7	126.4	45.4	0	0	0	0	0	111.7
3	D	32.1	Very low	32.5	Very low	165 Å²	165	165.5 Å²	165.5	88%	0.882	83%	0.832	S	S	*	*			cis	-137.5	-111.1	-6.3	-83.8	-40.1	0	0	0	113.9
4	D	36.7	Very low	32.2	Very low	136 Å²	136	162.1 Å²	162.1	73%	0.727	82%	0.817	S	S	*	*			trans	-153.7	176.7	-141.6	-179.3	34.1	0	0	0	113.6
5	Q	34.9	Very low	32	Very low	176 Å²	176	162.3 Å²	162.3	82%	0.822	81%	0.814	S	S	*	*			trans	79.2	155.6	165.6	-44.5	-170.7	16.9	0	0	116.1
6	G	30.6	Very low	31.9	Very low	72 Å²	72	161.2 Å²	161.2	74%	0.742	81%	0.812	S	S	*	*			cis	-170	-175.1	3.3	0	0	0	0	0	115.5
7	R	32.7	Very low	31.7	Very low	258 Å²	258	160.6 Å²	160.6	97%	0.974	81%	0.812	S	S	*	*			trans	-70.5	163.6	-179.7	-54.5	152.5	-178.6	170.2	-0.5	111.1
8	G	28.1	Very low	31.6	Very low	69 Å²	69	156.4 Å²	156.4	71%	0.711	80%	0.8	S	S	*	*			cis	144	168.7	-2.1	0	0	0	0	0	113
9	R	30.2	Very low	31.5	Very low	235 Å²	235	154.2 Å²	154.2	89%	0.887	80%	0.799	S	S	*	*			trans	67.8	137.1	163.4	-87.5	-176.7	172.8	-178.7	-1.4	122.2
10	R	28.5	Very low	31.4	Very low	237 Å²	237	153.5 Å²	153.5	89%	0.894	80%	0.802	S	S	*	*			trans	107.2	138.3	141.9	-83.9	177.6	172.6	176.6	-3.8	121.4
11	R	31.2	Very low	31.2	Very low	237 Å²	237	151.3 Å²	151.3	89%	0.894	80%	0.8	S	S	*	*			trans	-74.8	177.5	164.4	-81.7	-176.8	175.3	-174.1	-2.6	110.3
12	P	46.1	Very low	31.1	Very low	106 Å²	106	151.8 Å²	151.8	69%	0.688	79%	0.789	S	S	*	*			cis	-159.9	-167.4	35	49.4	-27.5	0	0	0	120.6
13	L	28.6	Very low	31	Very low	139 Å²	139	151.7 Å²	151.7	73%	0.728	80%	0.795	S	S	*	*			trans	72.8	122.8	154.5	-68.7	168.9	0	0	0	121.5
14	N	28.2	Very low	31	Very low	117 Å²	117	150 Å²	150	63%	0.626	80%	0.797	S	S	*	*				51.2	163.2	123.7	-57.2	21.2	0	0	0	120.2
15	E	29.7	Very low	30.5	Very low	165 Å²	165	147.6 Å²	147.6	77%	0.771	80%	0.804	S	S	*	*			cis	-164.9	162.9	12.1	-136	144	-114.3	0	0	108
16	D	30	Very low	30.3	Very low	145 Å²	145	147.5 Å²	147.5	78%	0.775	81%	0.809	S	S	*	*				-157.4	-161.4	-54.7	-142.3	-75.2	0	0	0	109.5
17	D	29.6	Very low	30.1	Very low	152 Å²	152	146.9 Å²	146.9	81%	0.813	80%	0.802	S	S	*	*			trans	69.5	152.2	170.9	-97	-20.5	0	0	0	119.5
18	S	28.6	Very low	31.2	Very low	85 Å²	85	140 Å²	140	59%	0.594	79%	0.792	S	S	*	*			cis	-157.1	145.4	-10.6	57	0	0	0	0	113.7
19	S	29.5	Very low	31.2	Very low	113 Å²	113	148.7 Å²	148.7	79%	0.79	80%	0.803	S	S	*	*			trans	64.2	161	159.5	87.5	0	0	0	0	118.8
20	T	30	Very low	31.3	Very low	140 Å²	140	143.8 Å²	143.8	86%	0.859	80%	0.799	S	S	*	*			cis	-126.6	178.1	0.2	32.7	0	0	0	0	111.5
21	S	28.3	Very low	31.2	Very low	108 Å²	108	141.5 Å²	141.5	76%	0.755	80%	0.795	S	S	*	*			trans	-110.3	157.3	-158.6	60.3	0	0	0	0	116.7
22	R	30.3	Very low	31	Very low	250 Å²	250	135.8 Å²	135.8	94%	0.943	79%	0.786	S	S	*	*				-175.4	129.2	126.4	-103	170.4	-174.3	-162.3	1.7	114.2
23	G	26.8	Very low	30	Very low	80 Å²	80	139.9 Å²	139.9	83%	0.825	79%	0.794	S	S	*	*			trans	90.1	75.3	139.1	0	0	0	0	0	120
24	S	31.8	Very low	30	Very low	131 Å²	131	145 Å²	145	92%	0.916	80%	0.803	S	S	*	*			trans	-153.9	150.9	154.2	61.1	0	0	0	0	111.2
25	G	28.1	Very low	29.8	Very low	85 Å²	85	142.7 Å²	142.7	88%	0.876	81%	0.807	S	S	*	*			trans	-170.6	97	-178.9	0	0	0	0	0	112.3
26	D	29.5	Very low	29.8	Very low	174 Å²	174	140.5 Å²	140.5	93%	0.93	81%	0.81	S	S	*	*			trans	-129.6	151.6	169.5	178.9	28.9	0	0	0	108.4
27	G	27.6	Very low	29.7	Very low	58 Å²	58	138.8 Å²	138.8	60%	0.598	81%	0.81	S	S	*	*			trans	116.9	162.4	165.4	0	0	0	0	0	117.3
28	P	55.8	Low	29.7	Very low	115 Å²	115	137.3 Å²	137.3	75%	0.747	81%	0.811	S	S	*	*			trans	-135.2	173.4	-151.4	38.4	-19.9	0	0	0	115.6
29	R	27.5	Very low	29.6	Very low	250 Å²	250	137.5 Å²	137.5	94%	0.943	83%	0.827	S	S	*	*				176.7	166.8	123.9	-96.9	161	-179	-168.5	0.5	115.9
30	V	31.1	Very low	29.8	Very low	133 Å²	133	139 Å²	139	81%	0.806	83%	0.826	S	S	*	*			trans	-88.1	142.1	-175.1	176.7	0	0	0	0	112.2
31	K	27.4	Very low	30.6	Very low	188 Å²	188	137.3 Å²	137.3	82%	0.817	82%	0.817	S	S	*	*				173.1	131.4	126.2	-96.5	-174.9	178.2	-175.4	0	116.5
32	V	26.6	Very low	30.6	Very low	117 Å²	117	142.9 Å²	142.9	71%	0.709	82%	0.822	S	S	*	*			trans	73.5	112.1	132.1	176.7	0	0	0	0	121.8
33	F	26	Very low	30.5	Very low	192 Å²	192	135.3 Å²	135.3	84%	0.842	81%	0.813	S	S	*	*			trans	41.1	120.9	140.7	-83.5	-94.3	0	0	0	122.8
34	R	27.1	Very low	30.6	Very low	246 Å²	246	138.1 Å²	138.1	93%	0.928	81%	0.809	S	S	*	*				174.1	152.9	97.4	-99.6	-169.7	176	-174	-1.6	113.7
35	G	25.6	Very low	30.9	Very low	69 Å²	69	136.8 Å²	136.8	71%	0.711	80%	0.797	S	S	*	*			trans	86.2	160.6	156.3	0	0	0	0	0	117.9
36	S	28.5	Very low	30.9	Very low	120 Å²	120	143 Å²	143	84%	0.839	79%	0.794	S	S	*	*			cis	167.6	99.1	-49.8	49.6	0	0	0	0	111.1
37	S	29.1	Very low	31.1	Very low	109 Å²	109	141.9 Å²	141.9	76%	0.762	79%	0.786	S	S	*	*			trans	-167.9	127.7	162.8	39.9	0	0	0	0	107.4
38	S	28.8	Very low	31.2	Very low	121 Å²	121	148.1 Å²	148.1	85%	0.846	80%	0.8	S	S	*	*			cis	86.2	103.1	41.7	76.1	0	0	0	0	113.3
39	G	26.8	Very low	29.8	Very low	89 Å²	89	147.6 Å²	147.6	92%	0.918	81%	0.805	S	S	*	*			trans	156.8	59.7	175.3	0	0	0	0	0	116.8
40	D	34	Very low	29.8	Very low	145 Å²	145	141.8 Å²	141.8	78%	0.775	80%	0.803	S	S	*	*			trans	-116	140.1	161.2	-175.2	28.8	0	0	0	106.8	R42	D40-R42 PolarHBondContact OD1-N 3.49Å
41	P	46.9	Very low	29.9	Very low	103 Å²	103	146.7 Å²	146.7	67%	0.669	81%	0.807	S	S	*	*				-152.1	147.1	95.9	38.1	-19.9	0	0	0	116.1
42	R	28.1	Very low	30.1	Very low	226 Å²	226	146.7 Å²	146.7	85%	0.853	81%	0.809	S	S	*	*				173.2	95.5	112	-91.6	166.6	-173.1	-164.8	1.5	114.6	D40	D40-R42 PolarHBondContact OD1-N 3.49Å
43	A	27.8	Very low	30.3	Very low	91 Å²	91	153 Å²	153	75%	0.752	82%	0.821	S	S	*	*				28.1	114.4	128.2	0	0	0	0	0	121.5
44	D	29	Very low	30.5	Very low	139 Å²	139	156 Å²	156	74%	0.743	83%	0.826	S	S	*	*				58	161.1	109.3	-124.6	22.6	0	0	0	120.5
45	P	37.8	Very low	30.6	Very low	102 Å²	102	148.8 Å²	148.8	66%	0.662	82%	0.82	S	S	*	*			cis	-129	159.2	-7.5	17.9	7.3	0	0	0	117.3
46	R	28.4	Very low	30.7	Very low	215 Å²	215	154 Å²	154	81%	0.811	83%	0.83	S	S	*	*			trans	30.1	148.6	136.7	-57.8	-178	172.2	-171.6	-2.9	123.2
47	I	33.3	Very low	30.8	Very low	152 Å²	152	157.5 Å²	157.5	78%	0.779	83%	0.833	S	S	*	*			trans	82.2	82.6	159.2	-59.4	144.8	0	0	0	115.8
48	E	28.9	Very low	30.9	Very low	189 Å²	189	162 Å²	162	88%	0.883	84%	0.842	S	S	*	*	S	Bend		171.3	97.1	118.8	-95.6	-175.3	169.5	0	0	111.2
49	A	26.7	Very low	30.8	Very low	103 Å²	103	160.6 Å²	160.6	85%	0.851	84%	0.838	S	S	*	*			trans	171.8	67.7	159.8	0	0	0	0	0	111.8
50	S	28.8	Very low	30.7	Very low	128 Å²	128	162.2 Å²	162.2	90%	0.895	83%	0.832	S	S	*	*			trans	-128.3	32.7	173.4	56.6	0	0	0	0	113.5
51	R	31.5	Very low	30.3	Very low	237 Å²	237	167 Å²	167	89%	0.894	84%	0.84	S	S	*	*			trans	-112.2	166.1	159.2	-77.1	-178.5	166.7	177	-4.2	109.2
52	E	32.5	Very low	29.3	Very low	187 Å²	187	173.1 Å²	173.1	87%	0.874	85%	0.849	S	S	*	*	S	Bend	trans	65	51.3	177.3	-54.4	-164.7	170.8	0	0	117.6
53	R	31.1	Very low	29.1	Very low	251 Å²	251	171.7 Å²	171.7	95%	0.947	85%	0.852	S	S	*	*	S	Bend	trans	-161.6	41.5	145.8	-110.4	160.7	-153.2	-146	5.9	115.8
54	R	29.7	Very low	28.9	Very low	254 Å²	254	173.2 Å²	173.2	96%	0.958	86%	0.856	S	S	*	*			trans	-148.9	86.2	166	-102.9	-174.7	178.8	-178.8	-0.7	111.2
55	A	29	Very low	28.8	Very low	95 Å²	95	169.1 Å²	169.1	79%	0.785	85%	0.847	S	S	*	*			trans	-159.4	86.3	171.8	0	0	0	0	0	109.8
56	L	28.7	Very low	28.2	Very low	178 Å²	178	170 Å²	170	93%	0.932	85%	0.853	S	S	*	*	S	Bend	trans	171.6	33.9	155	-95.5	163.3	0	0	0	113.2
57	E	30.3	Very low	28.1	Very low	193 Å²	193	165.6 Å²	165.6	90%	0.902	85%	0.852	S	S	*	*			trans	-128.2	83.6	163.1	-78.5	-166	129.7	0	0	109.4
58	E	30.5	Very low	27.7	Very low	203 Å²	203	167 Å²	167	95%	0.949	86%	0.855	S	S	*	*			trans	-179.1	112.7	139.5	-102.8	177.1	179.3	0	0	109.3
59	A	26.6	Very low	27.5	Very low	92 Å²	92	168.9 Å²	168.9	76%	0.76	85%	0.854	S	S	*	*			trans	-132.1	146.5	172.4	0	0	0	0	0	107.9
60	P	25.5	Very low	27.4	Very low	124 Å²	124	173 Å²	173	81%	0.805	85%	0.853	S	S	*	*			trans	-68.3	140.3	-152.5	23.5	-34.4	0	0	0	114	R62	P60-R62 PolarHBondContact O-N 3.18Å
61	R	25	Very low	27.3	Very low	246 Å²	246	170.7 Å²	170.7	93%	0.928	84%	0.835	S	S	*	*			trans	-60.6	100.8	167.1	-68	-178.7	-178.9	178.1	1.9	109.2	E63	R61-E63 PolarHBondContact O-N 3.09Å
62	R	25.8	Very low	27.1	Very low	230 Å²	230	171 Å²	171	87%	0.868	84%	0.836	S	S	*	*			trans	-63	122.9	161.4	-75.9	-175.6	172.7	-178.9	-2.5	108.2	P60 C64	P60-R62 PolarHBondContact O-N 3.18Å; R62-C64 PolarHBondContact O-N 2.83Å
63	E	23.8	Very low	27	Very low	197 Å²	197	163.7 Å²	163.7	92%	0.921	81%	0.812	S	S	*	*			trans	-63.5	101.1	172.4	-64.5	-171.1	133.7	0	0	109.2	R61 G65	R61-E63 PolarHBondContact O-N 3.09Å; E63-G65 PolarHBondContact O-N 2.89Å; E63-G65 VanDerWaalsContact O-N 3.08Å
64	C	24.1	Very low	27.2	Very low	122 Å²	122	155.9 Å²	155.9	82%	0.824	79%	0.788	S	S	*	*			trans	-70.7	104	167.3	-66.2	0	0	0	0	107.3	R62	R62-C64 PolarHBondContact O-N 2.83Å
65	G	26.8	Very low	27.6	Very low	54 Å²	54	151.3 Å²	151.3	56%	0.557	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-52.2	158.2	170.8	0	0	0	0	0	111.7	E63	E63-G65 PolarHBondContact O-N 2.89Å; E63-G65 VanDerWaalsContact O-N 3.08Å
66	P	25.6	Very low	28.4	Very low	121 Å²	121	149.3 Å²	149.3	79%	0.786	75%	0.751	S	S	*	*	S	Bend	trans	-54.1	132.6	-172.7	22.6	-34	0	0	0	110.7	E68	P66-E68 PolarHBondContact O-N 2.79Å; P66-E68 VanDerWaalsContact O-N 3.13Å
67	P	26.2	Very low	29.4	Very low	122 Å²	122	144.4 Å²	144.4	79%	0.792	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-61.3	120.7	-169.2	23.4	-34	0	0	0	110.6	R69	P67-R69 PolarHBondContact O-N 2.89Å; P67-R69 VanDerWaalsContact O-N 3.17Å
68	E	24.2	Very low	30.9	Very low	182 Å²	182	138.1 Å²	138.1	85%	0.85	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-50.8	124.7	178.9	-72.6	-165.2	124.3	0	0	110.5	P66 K70	P66-E68 PolarHBondContact O-N 2.79Å; P66-E68 VanDerWaalsContact O-N 3.13Å; E68-K70 VanDerWaalsContact C-N 3.26Å; E68-K70 PolarHBondContact O-N 2.94Å
69	R	24.9	Very low	32.8	Very low	227 Å²	227	129.9 Å²	129.9	86%	0.857	66%	0.656	S	S	*	*			trans	-67.4	86.3	173.9	-75.6	-178.1	173	163	1.4	109.3	P67 P71	P67-R69 PolarHBondContact O-N 2.89Å; P67-R69 VanDerWaalsContact O-N 3.17Å; R69-P71 VanDerWaalsContact O-CD 3.31Å; R69-P71 WeakPolarHBondContact O-CD 3.31Å; R69-P71 VanDerWaalsContact O-N 3.08Å
70	K	24.2	Very low	35.4	Very low	190 Å²	190	130.8 Å²	130.8	83%	0.826	65%	0.648	S	S	*	*			trans	-45.4	117.1	172.6	-73	-173.7	176	-179.9	0	109.2	E68	E68-K70 VanDerWaalsContact C-N 3.26Å; E68-K70 PolarHBondContact O-N 2.94Å
71	P	27.6	Very low	37.9	Very low	80 Å²	80	125.5 Å²	125.5	52%	0.519	61%	0.614	S	S	.	*			trans	-58	156.8	-175.4	-28.7	36.3	0	0	0	112.8	R69 G73	R69-P71 VanDerWaalsContact O-CD 3.31Å; R69-P71 WeakPolarHBondContact O-CD 3.31Å; R69-P71 VanDerWaalsContact O-N 3.08Å; P71-G73 VanDerWaalsContact C-N 3.29Å; P71-G73 PolarHBondContact O-N 2.9Å
72	W	26.6	Very low	40.6	Very low	242 Å²	242	116.9 Å²	116.9	92%	0.917	58%	0.581	S	S	*	*	S	Bend	trans	-70.6	80.1	-178.3	-84	47.6	0	0	0	112.1
73	G	30.4	Very low	43.2	Very low	35 Å²	35	108.4 Å²	108.4	36%	0.361	56%	0.556	S	S	.	*			trans	-108.4	133	171	0	0	0	0	0	112.4	P71 Q75	P71-G73 VanDerWaalsContact C-N 3.29Å; P71-G73 PolarHBondContact O-N 2.9Å; G73-Q75 PolarHBondContact O-N 3.06Å
74	D	35.8	Very low	45.6	Very low	86 Å²	86	104.3 Å²	104.3	46%	0.46	56%	0.556	S	S	.	*			trans	-60	121.5	144.3	-73.9	-53.4	0	0	0	106.3	Y76 Q195	D74-Y76 HydrophobicContact CB-CD2 4.05Å; D74-Y76 HydrophobicContact CB-CE2 3.59Å; D74-Y76 WeakPolarHBondContact O-CD2 3.49Å; D74-Y76 PolarHBondContact O-N 2.64Å; D74-Q195 PolarHBondContact O-NE2 3.35Å
75	Q	37.8	Very low	48.1	Very low	159 Å²	159	107.2 Å²	107.2	74%	0.743	56%	0.557	S	S	*	*			trans	-79	92.1	179.4	-174.1	172.9	-15.6	0	0	108.7	G73 D77	G73-Q75 PolarHBondContact O-N 3.06Å; Q75-D77 VanDerWaalsContact CG-OD1 3.3Å; Q75-D77 WeakPolarHBondContact CG-OD1 3.37Å; Q75-D77 PolarHBondContact NE2-OD1 2.76Å; Q75-D77 PolarHBondContact O-N 2.96Å
76	Y	46.9	Very low	50.6	Low	53 Å²	53	106.1 Å²	106.1	21%	0.208	54%	0.539	C	S	.	.			trans	-74.7	67.6	178.8	-70.8	-90.6	0	0	0	110.9	D74 Y78 P191 Q195	D74-Y76 HydrophobicContact CB-CD2 4.05Å; D74-Y76 HydrophobicContact CB-CE2 3.59Å; D74-Y76 WeakPolarHBondContact O-CD2 3.49Å; D74-Y76 PolarHBondContact O-N 2.64Å; Y76-Y78 HydrophobicContact CD1-CE2 4.37Å; Y76-Y78 HydrophobicContact CG-CE2 4.39Å; Y76-Y78 WeakPolarHBondContact O-CD2 3.47Å; Y76-Y78 PolarHBondContact O-N 3.49Å; Y76-P191 VanDerWaalsContact O-CB 3.27Å; Y76-P191 WeakPolarHBondContact O-CB 3.17Å; Y76-P191 WeakPolarHBondContact O-CG 3.43Å; Y76-Q195 HydrophobicContact CD2-CG 3.54Å; Y76-Q195 HydrophobicContact CE2-CG 3.55Å
77	D	50	Low	53	Low	75 Å²	75	106.7 Å²	106.7	40%	0.401	54%	0.54	S	S	.	.			trans	-67.7	94.7	173.3	-97	34.6	0	0	0	110	Q75 K693	Q75-D77 VanDerWaalsContact CG-OD1 3.3Å; Q75-D77 WeakPolarHBondContact CG-OD1 3.37Å; Q75-D77 PolarHBondContact NE2-OD1 2.76Å; Q75-D77 PolarHBondContact O-N 2.96Å; D77-K693 HydrophobicContact CB-CD 3.91Å; D77-K693 WeakPolarHBondContact OD2-CD 3.47Å; D77-K693 WeakPolarHBondContact OD2-CE 3.08Å; D77-K693 IonicContact OD2-NZ 2.71Å; D77-K693 PolarHBondContact OD2-NZ 2.84Å
78	Y	61.1	Low	55.8	Low	61 Å²	61	103.5 Å²	103.5	24%	0.239	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-75.2	132.7	174.8	-75.3	-79.9	0	0	0	111.1	Y76 P191 L194 R242 E755	Y76-Y78 HydrophobicContact CD1-CE2 4.37Å; Y76-Y78 HydrophobicContact CG-CE2 4.39Å; Y76-Y78 WeakPolarHBondContact O-CD2 3.47Å; Y76-Y78 PolarHBondContact O-N 3.49Å; Y78-P191 HydrophobicContact CD2-CB 4.03Å; Y78-P191 HydrophobicContact CD2-CG 4.11Å; Y78-P191 HydrophobicContact CE2-CB 4.07Å; Y78-L194 HydrophobicContact CE1-CD1 4.29Å; Y78-L194 HydrophobicContact CE2-CD1 3.77Å; Y78-L194 VanDerWaalsContact CZ-CD1 3.49Å; Y78-L194 WeakPolarHBondContact OH-CD1 3.35Å; Y78-R242 PolarHBondContact OH-NH1 3.09Å; Y78-E755 HydrophobicContact CD1-CG 4.25Å
79	L	70.8	Confident	58.8	Low	30 Å²	30	95 Å²	95	16%	0.157	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-100.8	116.4	165.1	178	73	0	0	0	107.1	T81 K693 F696	L79-T81 HydrophobicContact CD2-CG2 3.7Å; L79-T81 HydrophobicContact CG-CG2 3.85Å; L79-T81 PolarHBondContact O-N 3.11Å; L79-K693 HydrophobicContact CB-CB 4.48Å; L79-F696 HydrophobicContact CD1-CB 4.43Å; L79-F696 HydrophobicContact CD1-CD1 3.94Å; L79-F696 HydrophobicContact CD1-CE1 4.41Å; L79-F696 HydrophobicContact CD1-CG 4.17Å; L79-F696 HydrophobicContact CD2-CB 3.49Å; L79-F696 VanDerWaalsContact CD2-CB 3.49Å; L79-F696 HydrophobicContact CD2-CD1 4.37Å; L79-F696 HydrophobicContact CD2-CD2 4.1Å; L79-F696 HydrophobicContact CD2-CG 3.75Å
80	N	80	Confident	62	Low	110 Å²	110	88.4 Å²	88.4	59%	0.588	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-74.2	121.3	167.5	-176.5	7.3	0	0	0	108.5	R82 E755	N80-R82 PolarHBondContact OD1-N 3.14Å; N80-R82 VanDerWaalsContact OD1-N 3.11Å; N80-E755 CarbonylContact C-O 3.59Å; N80-E755 VanDerWaalsContact CA-O 3.31Å; N80-E755 WeakPolarHBondContact CA-O 3.4Å; N80-E755 PolarHBondContact OD1-O 3.49Å
81	T	78.8	Confident	65.1	Low	14 Å²	14	79.7 Å²	79.7	9%	0.086	42%	0.422	C	S	.	.			trans	-114.8	-1.2	178.6	72.2	0	0	0	0	113.1	L79 P83 E755 R756 Y757 N777 V778 L779	L79-T81 HydrophobicContact CD2-CG2 3.7Å; L79-T81 HydrophobicContact CG-CG2 3.85Å; L79-T81 PolarHBondContact O-N 3.11Å; T81-P83 WeakPolarHBondContact O-CD 3.33Å; T81-E755 PolarHBondContact N-O 2.82Å; T81-R756 WeakPolarHBondContact OG1-CA 3.42Å; T81-Y757 PolarHBondContact OG1-N 3.46Å; T81-N777 PolarHBondContact OG1-OD1 3.44Å; T81-N777 VanDerWaalsContact OG1-OD1 3.05Å; T81-V778 WeakPolarHBondContact CB-O 3.44Å; T81-V778 PolarHBondContact OG1-O 3.07Å; T81-L779 HydrophobicContact CG2-CD2 3.72Å
82	R	82.1	Confident	68.1	Low	64 Å²	64	81.3 Å²	81.3	24%	0.242	43%	0.43	C	S	.	.	S	Bend	trans	-77.3	118.1	172.4	-171.6	174.2	-174.8	153	-4.1	108.7	N80 L86 V87 E245 P754 E755	N80-R82 PolarHBondContact OD1-N 3.14Å; N80-R82 VanDerWaalsContact OD1-N 3.11Å; R82-L86 PolarHBondContact NE-O 3.32Å; R82-V87 PolarHBondContact NH2-O 2.92Å; R82-E245 IonicContact NH1-OE2 2.71Å; R82-E245 PolarHBondContact NH1-OE2 3.14Å; R82-E245 VanDerWaalsContact NH1-OE2 3.07Å; R82-P754 WeakPolarHBondContact CD-O 3.45Å; R82-E755 PolarHBondContact N-O 3.3Å
83	P	79.3	Confident	71	Confident	53 Å²	53	72.1 Å²	72.1	34%	0.344	40%	0.399	S	S	.	.			trans	-59.2	141.9	172.8	-20.6	32.6	0	0	0	110.2	T81 E85 L86	T81-P83 WeakPolarHBondContact O-CD 3.33Å; P83-E85 PolarHBondContact O-N 3.03Å; P83-L86 HydrophobicContact CB-CB 4.1Å; P83-L86 HydrophobicContact CG-CB 4.21Å; P83-L86 WeakPolarHBondContact O-CB 3.39Å; P83-L86 PolarHBondContact O-N 3.23Å
84	A	75.4	Confident	74	Confident	111 Å²	111	72.3 Å²	72.3	92%	0.917	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-33.1	179.4	0	0	0	0	0	112.5	L86	A84-L86 VanDerWaalsContact C-N 3.27Å; A84-L86 PolarHBondContact O-N 3.24Å
85	E	76.8	Confident	76.9	Confident	182 Å²	182	72.7 Å²	72.7	85%	0.85	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-17.9	174.4	-64.5	157.4	-140.4	0	0	113.6	P83 V87	P83-E85 PolarHBondContact O-N 3.03Å; E85-V87 VanDerWaalsContact C-N 3.32Å; E85-V87 PolarHBondContact O-N 2.82Å
86	L	78.9	Confident	79.7	Confident	32 Å²	32	69 Å²	69	17%	0.168	40%	0.396	C	S	.	.			trans	-84.5	74.8	-175.4	-168.5	68.5	0	0	0	111.4	R82 P83 A84 S88 K89 Y757 P787	R82-L86 PolarHBondContact NE-O 3.32Å; P83-L86 HydrophobicContact CB-CB 4.1Å; P83-L86 HydrophobicContact CG-CB 4.21Å; P83-L86 WeakPolarHBondContact O-CB 3.39Å; P83-L86 PolarHBondContact O-N 3.23Å; A84-L86 VanDerWaalsContact C-N 3.27Å; A84-L86 PolarHBondContact O-N 3.24Å; L86-S88 VanDerWaalsContact CD1-O 3.31Å; L86-S88 WeakPolarHBondContact CD1-O 3.32Å; L86-S88 PolarHBondContact O-N 3.21Å; L86-K89 HydrophobicContact CD2-CB 4.08Å; L86-Y757 HydrophobicContact CD2-CD1 3.69Å; L86-Y757 HydrophobicContact CD2-CD2 3.71Å; L86-Y757 HydrophobicContact CD2-CE1 4.07Å; L86-Y757 HydrophobicContact CD2-CE2 4.1Å; L86-Y757 HydrophobicContact CD2-CG 3.5Å; L86-P787 HydrophobicContact CD1-CG 4.3Å
87	V	75.6	Confident	82.1	Confident	133 Å²	133	67.6 Å²	67.6	81%	0.806	39%	0.393	S	S	*	.	S	Bend	trans	-46.9	-48.8	175.7	-178.9	0	0	0	0	111.1	R82 E85	R82-V87 PolarHBondContact NH2-O 2.92Å; E85-V87 VanDerWaalsContact C-N 3.32Å; E85-V87 PolarHBondContact O-N 2.82Å
88	S	84	Confident	84.3	Confident	54 Å²	54	68.5 Å²	68.5	38%	0.378	40%	0.396	S	S	.	.			trans	-132.8	135.7	177.8	-178.8	0	0	0	0	111.5	L86 K90	L86-S88 VanDerWaalsContact CD1-O 3.31Å; L86-S88 WeakPolarHBondContact CD1-O 3.32Å; L86-S88 PolarHBondContact O-N 3.21Å; S88-K90 WeakPolarHBondContact OG-CB 3.33Å; S88-K90 WeakPolarHBondContact OG-CG 3.26Å; S88-K90 PolarHBondContact OG-N 2.88Å; S88-K90 VanDerWaalsContact OG-N 3.13Å
89	K	88.9	Confident	85.9	Confident	5 Å²	5	65.6 Å²	65.6	2%	0.022	39%	0.385	C	S	.	.			trans	-94.7	3.2	168.8	66.2	-175.5	175.3	-172.2	0	113.7	L86 E245 T752 L753 R756 Y757 D758 P787	L86-K89 HydrophobicContact CD2-CB 4.08Å; K89-E245 WeakPolarHBondContact CE-OE1 3.47Å; K89-E245 IonicContact NZ-OE1 3.91Å; K89-E245 PolarHBondContact NZ-OE1 3.26Å; K89-E245 IonicContact NZ-OE2 3.02Å; K89-T752 WeakPolarHBondContact CE-OG1 3.42Å; K89-L753 PolarHBondContact NZ-O 2.98Å; K89-R756 WeakPolarHBondContact CD-O 3.34Å; K89-R756 PolarHBondContact NZ-O 2.79Å; K89-Y757 HydrophobicContact CB-CD2 3.88Å; K89-Y757 HydrophobicContact CB-CE2 4.23Å; K89-D758 IonicContact NZ-OD1 3.61Å; K89-D758 PolarHBondContact NZ-OD1 2.83Å; K89-P787 WeakPolarHBondContact O-CB 3.15Å
90	K	91.9	Very high	87	Confident	87 Å²	87	66.4 Å²	66.4	38%	0.378	39%	0.388	S	S	.	.			trans	-72.8	130	177	-56.2	-175.5	-179.1	-154.8	0	110.6	S88 D748 D749	S88-K90 WeakPolarHBondContact OG-CB 3.33Å; S88-K90 WeakPolarHBondContact OG-CG 3.26Å; S88-K90 PolarHBondContact OG-N 2.88Å; S88-K90 VanDerWaalsContact OG-N 3.13Å; K90-D748 VanDerWaalsContact CA-OD2 3.3Å; K90-D748 WeakPolarHBondContact CA-OD2 3.48Å; K90-D749 WeakPolarHBondContact CE-OD2 3.15Å; K90-D749 VanDerWaalsContact NZ-CG 3.34Å; K90-D749 IonicContact NZ-OD2 3.44Å; K90-D749 PolarHBondContact NZ-OD2 3.43Å
91	G	89.4	Confident	87.6	Confident	7 Å²	7	61.2 Å²	61.2	7%	0.072	36%	0.36	C	S	.	.			trans	-82.2	159.3	164	0	0	0	0	0	112.2	R436 D748	G91-R436 PolarHBondContact O-NE 2.75Å; G91-D748 PolarHBondContact N-OD2 2.89Å
92	T	90	Very high	88.4	Confident	114 Å²	114	60.5 Å²	60.5	70%	0.699	36%	0.356	S	S	*	.			trans	-104.5	-29.7	178.9	61.5	0	0	0	0	113.9	E788	T92-E788 PolarHBondContact N-OE2 2.95Å; T92-E788 PolarHBondContact OG1-OE2 2.88Å
93	D	88	Confident	89	Confident	49 Å²	49	57.8 Å²	57.8	26%	0.262	35%	0.346	S	S	.	.			trans	-54	141.9	-179.3	-84.7	-42.8	0	0	0	114.4	R436 E788 K792	D93-R436 WeakPolarHBondContact O-CD 3.25Å; D93-R436 PolarHBondContact O-NH1 2.88Å; D93-E788 HydrophobicContact CB-CB 4.06Å; D93-E788 HydrophobicContact CB-CG 4.31Å; D93-E788 WeakPolarHBondContact OD2-CG 3.46Å; D93-K792 VanDerWaalsContact CG-NZ 3.32Å; D93-K792 IonicContact OD1-NZ 2.74Å; D93-K792 PolarHBondContact OD1-NZ 3.25Å; D93-K792 WeakPolarHBondContact OD2-CE 3.39Å; D93-K792 IonicContact OD2-NZ 3.72Å; D93-K792 PolarHBondContact OD2-NZ 2.81Å
94	G	92.9	Very high	89.7	Confident	39 Å²	39	55.3 Å²	55.3	40%	0.402	33%	0.33	S	S	.	.	S	Bend	trans	98.2	176.1	163.4	0	0	0	0	0	115.1	I437	G94-I437 CarbonylContact C-O 3.48Å; G94-I437 VanDerWaalsContact CA-O 3.3Å; G94-I437 WeakPolarHBondContact CA-O 3.4Å
95	V	96.6	Very high	90.5	Very high	95 Å²	95	54.7 Å²	54.7	58%	0.576	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	121.2	-174.6	-178.3	0	0	0	0	109.7	R436 I437	V95-R436 CarbonylContact O-C 3.56Å; V95-R436 VanDerWaalsContact O-CA 3.29Å; V95-R436 WeakPolarHBondContact O-CA 3.41Å; V95-I437 PolarHBondContact N-O 2.94Å; V95-I437 PolarHBondContact O-N 2.87Å
96	P	96.5	Very high	91.2	Very high	81 Å²	81	46.3 Å²	46.3	53%	0.526	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	140.9	178.1	29.2	-34.6	0	0	0	111.3	G435	P96-G435 WeakPolarHBondContact CA-O 3.48Å
97	V	96.4	Very high	91.8	Very high	24 Å²	24	49 Å²	49	15%	0.145	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	144.4	178.6	-70.8	0	0	0	0	111.3	L99 G435 I437 L736	V97-L99 HydrophobicContact CG2-CD1 4.3Å; V97-L99 HydrophobicContact CG2-CD2 4.18Å; V97-L99 HydrophobicContact CG2-CG 4.12Å; V97-G435 PolarHBondContact N-O 3.44Å; V97-G435 PolarHBondContact O-N 2.83Å; V97-I437 HydrophobicContact CG1-CD1 3.65Å; V97-I437 HydrophobicContact CG1-CG1 4.13Å; V97-I437 HydrophobicContact CG2-CD1 4.27Å; V97-I437 HydrophobicContact CG2-CG1 3.99Å; V97-L736 HydrophobicContact CB-CD1 4.04Å; V97-L736 HydrophobicContact CG1-CD1 4.37Å
98	M	96.4	Very high	92.3	Very high	94 Å²	94	45.3 Å²	45.3	46%	0.463	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	132.5	169.3	-74.4	-54.7	-55.6	0	0	110.7	E432 Q434 L736	M98-E432 HydrophobicContact CE-CB 3.64Å; M98-Q434 HydrophobicContact SD-CB 3.94Å; M98-Q434 HydrophobicContact SD-CG 4.42Å; M98-L736 WeakPolarHBondContact O-CD1 3.29Å
99	L	95.4	Very high	92.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	125.3	-174.7	-62.6	167.1	0	0	0	110	V97 E432 V433 F734 F735 L736 P741 T745 V747	V97-L99 HydrophobicContact CG2-CD1 4.3Å; V97-L99 HydrophobicContact CG2-CD2 4.18Å; V97-L99 HydrophobicContact CG2-CG 4.12Å; L99-E432 CarbonylContact O-C 3.57Å; L99-E432 WeakPolarHBondContact O-CA 3.44Å; L99-V433 PolarHBondContact N-O 2.87Å; L99-V433 PolarHBondContact O-N 3.32Å; L99-F734 HydrophobicContact CB-CB 4.33Å; L99-F734 HydrophobicContact CD1-CD2 3.93Å; L99-F734 HydrophobicContact CD1-CE2 4.35Å; L99-F735 WeakPolarHBondContact CA-O 3.46Å; L99-L736 HydrophobicContact CD2-CB 3.84Å; L99-L736 HydrophobicContact CD2-CD1 4.04Å; L99-L736 HydrophobicContact CD2-CG 4.49Å; L99-P741 HydrophobicContact CD2-CB 4.48Å; L99-P741 HydrophobicContact CD2-CG 4.43Å; L99-T745 HydrophobicContact CD1-CG2 3.65Å; L99-T745 HydrophobicContact CD2-CG2 4.17Å; L99-V747 HydrophobicContact CD1-CG2 3.49Å; L99-V747 VanDerWaalsContact CD1-CG2 3.49Å
100	Q	93.3	Very high	91.5	Very high	46 Å²	46	55.3 Å²	55.3	22%	0.215	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	131.1	169.4	-77.4	170.2	-3.5	0	0	108.7	V430 E432 F734 F735	Q100-V430 HydrophobicContact CB-CG1 4.46Å; Q100-E432 HydrophobicContact CG-CG 3.84Å; Q100-E432 WeakPolarHBondContact CG-OE1 3.44Å; Q100-E432 PolarHBondContact NE2-OE1 2.98Å; Q100-F734 CarbonylContact O-C 3.56Å; Q100-F734 WeakPolarHBondContact O-CA 3.44Å; Q100-F735 PolarHBondContact N-O 3.45Å; Q100-F735 VanDerWaalsContact O-CD2 3.26Å; Q100-F735 WeakPolarHBondContact O-CD2 3.46Å; Q100-F735 PolarHBondContact O-N 2.83Å
101	T	93.9	Very high	90.8	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.006	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-159.5	-177.2	68.8	0	0	0	0	112.2	F103 V430 T431 V433 R733 F734 F735 I751	T101-F103 PolarHBondContact OG1-N 2.97Å; T101-F103 VanDerWaalsContact OG1-N 3.09Å; T101-V430 WeakPolarHBondContact O-CG1 3.38Å; T101-T431 WeakPolarHBondContact CB-O 3.12Å; T101-T431 WeakPolarHBondContact CG2-O 3.5Å; T101-T431 PolarHBondContact N-O 3.4Å; T101-T431 VanDerWaalsContact N-O 3.13Å; T101-T431 PolarHBondContact OG1-O 2.94Å; T101-V433 HydrophobicContact CG2-CB 4.15Å; T101-V433 HydrophobicContact CG2-CG2 3.49Å; T101-V433 VanDerWaalsContact CG2-CG2 3.49Å; T101-R733 CarbonylContact C-O 3.51Å; T101-R733 WeakPolarHBondContact CA-O 3.26Å; T101-F734 HydrophobicContact CG2-CB 4.4Å; T101-F735 WeakPolarHBondContact O-CE2 3.48Å; T101-I751 HydrophobicContact CG2-CD1 4.07Å; T101-I751 HydrophobicContact CG2-CG2 4.02Å
102	N	94.7	Very high	90.6	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.328	C	S	.	.	S	Bend	trans	-118.7	26.7	161.9	73.2	-51.7	0	0	0	112.6	T252 L402 N731 R733	N102-T252 PolarHBondContact ND2-O 2.76Å; N102-T252 PolarHBondContact O-N 2.94Å; N102-L402 HydrophobicContact CB-CD2 3.58Å; N102-N731 PolarHBondContact ND2-O 3.06Å; N102-N731 PolarHBondContact OD1-O 2.87Å; N102-R733 HydrophobicContact CB-CB 3.97Å; N102-R733 HydrophobicContact CB-CG 4.49Å; N102-R733 PolarHBondContact N-O 2.89Å; N102-R733 PolarHBondContact OD1-N 2.69Å; N102-R733 PolarHBondContact OD1-O 3.33Å; N102-R733 VanDerWaalsContact OD1-O 3.12Å
103	F	94.2	Very high	90.5	Very high	7 Å²	7	61.9 Å²	61.9	3%	0.031	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	150.6	178	-68.1	-105.6	0	0	0	110.4	T101 H244 L249 L250 T431 T732 I751	T101-F103 PolarHBondContact OG1-N 2.97Å; T101-F103 VanDerWaalsContact OG1-N 3.09Å; F103-H244 AromaticContact CE1-CE1 3.84Å; F103-H244 AromaticContact CE1-NE2 3.55Å; F103-L249 HydrophobicContact CB-CB 4.22Å; F103-L249 HydrophobicContact CB-CD1 4.18Å; F103-L249 HydrophobicContact CD1-CB 3.71Å; F103-L249 HydrophobicContact CD1-CD1 4.13Å; F103-L249 HydrophobicContact CG-CB 4.39Å; F103-L249 HydrophobicContact CG-CD1 4.33Å; F103-L250 CarbonylContact C-O 3.5Å; F103-L250 WeakPolarHBondContact CA-O 3.43Å; F103-T431 PolarHBondContact O-N 2.92Å; F103-T431 PolarHBondContact O-OG1 2.67Å; F103-T732 HydrophobicContact CE2-CG2 3.94Å; F103-T732 HydrophobicContact CZ-CG2 4.37Å; F103-I751 HydrophobicContact CB-CG2 4.46Å; F103-I751 HydrophobicContact CD1-CG2 4.49Å; F103-I751 HydrophobicContact CD2-CB 4.45Å; F103-I751 HydrophobicContact CD2-CG2 3.72Å; F103-I751 HydrophobicContact CE2-CB 4.27Å; F103-I751 HydrophobicContact CE2-CG2 4.03Å; F103-I751 HydrophobicContact CG-CG2 3.98Å
104	F	93.9	Very high	90.5	Very high	1 Å²	1	59.5 Å²	59.5	0%	0.004	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	133.2	170.3	-57.9	-81.6	0	0	0	108.1	L249 L250 L402 N406 L426 V430	F104-L249 WeakPolarHBondContact O-CA 3.43Å; F104-L250 PolarHBondContact N-O 2.88Å; F104-L250 PolarHBondContact O-N 2.67Å; F104-L402 HydrophobicContact CE2-CD2 3.9Å; F104-L402 HydrophobicContact CZ-CB 4.28Å; F104-L402 HydrophobicContact CZ-CD2 3.98Å; F104-L402 HydrophobicContact CZ-CG 4.49Å; F104-N406 HydrophobicContact CD1-CB 4.39Å; F104-N406 VanDerWaalsContact CD1-ND2 3.26Å; F104-N406 WeakPolarHBondContact CD1-ND2 3.41Å; F104-N406 HydrophobicContact CE1-CB 3.82Å; F104-N406 VanDerWaalsContact CE1-ND2 3.28Å; F104-N406 WeakPolarHBondContact CE1-ND2 3.33Å; F104-N406 HydrophobicContact CE2-CB 4.32Å; F104-N406 HydrophobicContact CZ-CB 3.77Å; F104-L426 HydrophobicContact CB-CD1 3.6Å; F104-L426 HydrophobicContact CB-CG 4.44Å; F104-V430 HydrophobicContact CD1-CG2 4.43Å; F104-V430 HydrophobicContact CE1-CG2 3.67Å; F104-V430 HydrophobicContact CZ-CG2 4.12Å
105	R	93.4	Very high	90.4	Very high	98 Å²	98	57.8 Å²	57.8	37%	0.37	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	136.3	176.8	-173	-176.3	-169.6	-177.5	7.3	109.9	D247 L249 D427 T431	R105-D247 HydrophobicContact CG-CB 4.2Å; R105-D247 IonicContact CZ-OD1 2.87Å; R105-D247 IonicContact CZ-OD2 2.9Å; R105-D247 IonicContact NE-OD1 3.8Å; R105-D247 PolarHBondContact NE-OD1 3.33Å; R105-D247 IonicContact NE-OD2 3.46Å; R105-D247 IonicContact NH2-OD1 3.73Å; R105-D247 PolarHBondContact NH2-OD1 3.23Å; R105-D247 IonicContact NH2-OD2 3.63Å; R105-D247 PolarHBondContact NH2-OD2 2.97Å; R105-L249 HydrophobicContact CB-CD2 4.01Å; R105-L249 HydrophobicContact CG-CD2 4.22Å; R105-D427 HydrophobicContact CB-CB 4.2Å; R105-D427 PolarHBondContact O-N 2.77Å; R105-T431 PolarHBondContact N-OG1 3.44Å
106	L	91.6	Very high	90.2	Very high	5 Å²	5	54 Å²	54	3%	0.026	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	111.1	160.2	-87.9	76.5	0	0	0	107.8	I241 I248 L250 M424 E425 L426	L106-I241 HydrophobicContact CD1-CD1 4.37Å; L106-I241 HydrophobicContact CD2-CD1 3.76Å; L106-I248 HydrophobicContact CB-CB 4.3Å; L106-I248 HydrophobicContact CB-CG2 4.15Å; L106-I248 PolarHBondContact N-O 2.85Å; L106-L250 HydrophobicContact CD1-CB 3.59Å; L106-M424 HydrophobicContact CB-CE 4.29Å; L106-M424 HydrophobicContact CD2-CB 4.3Å; L106-M424 HydrophobicContact CD2-CE 3.66Å; L106-M424 HydrophobicContact CD2-SD 3.96Å; L106-E425 CarbonylContact C-O 3.4Å; L106-E425 WeakPolarHBondContact CA-O 3.34Å; L106-L426 HydrophobicContact CD1-CD1 3.67Å; L106-L426 HydrophobicContact CG-CD1 4.37Å
107	K	90.4	Very high	90	Very high	88 Å²	88	50.1 Å²	50.1	38%	0.383	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	138.3	167.4	-74.4	166.8	170.7	160.6	0	109	M424 E425 D427	K107-M424 CarbonylContact O-C 3.57Å; K107-M424 WeakPolarHBondContact O-CA 3.45Å; K107-E425 HydrophobicContact CB-CB 4.36Å; K107-E425 PolarHBondContact N-O 2.8Å; K107-E425 PolarHBondContact O-N 2.84Å; K107-D427 WeakPolarHBondContact CE-OD1 3.31Å; K107-D427 VanDerWaalsContact CE-OD2 3.23Å; K107-D427 WeakPolarHBondContact CE-OD2 3Å; K107-D427 IonicContact NZ-OD1 3.9Å; K107-D427 PolarHBondContact NZ-OD1 3.13Å; K107-D427 IonicContact NZ-OD2 2.67Å
108	T	86.5	Confident	89.8	Confident	56 Å²	56	51.1 Å²	51.1	34%	0.344	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	168.8	174.4	52.6	0	0	0	0	109	W112 I248 M424	T108-W112 HydrophobicContact CG2-CB 4.4Å; T108-W112 HydrophobicContact CG2-CD2 3.79Å; T108-W112 HydrophobicContact CG2-CE3 4.05Å; T108-W112 HydrophobicContact CG2-CG 3.96Å; T108-I248 HydrophobicContact CG2-CD1 4.2Å; T108-M424 HydrophobicContact CG2-CE 3.56Å; T108-M424 HydrophobicContact CG2-CG 4.25Å
109	K	81.4	Confident	89.6	Confident	126 Å²	126	46.7 Å²	46.7	55%	0.548	22%	0.22	S	C	.	.			trans	-64.4	150.6	169.6	-72.5	177.1	169.7	171.7	0	110.2	E111 W112 N423	K109-E111 VanDerWaalsContact C-N 3.27Å; K109-E111 PolarHBondContact O-N 2.66Å; K109-W112 HydrophobicContact CB-CB 4.39Å; K109-W112 WeakPolarHBondContact O-CB 3.18Å; K109-W112 PolarHBondContact O-N 3.46Å; K109-N423 HydrophobicContact CD-CB 4.18Å; K109-N423 VanDerWaalsContact CE-OD1 3.26Å; K109-N423 WeakPolarHBondContact CE-OD1 3.48Å; K109-N423 HydrophobicContact CG-CB 4.5Å; K109-N423 PolarHBondContact NZ-OD1 2.9Å
110	P	75.4	Confident	89.5	Confident	143 Å²	143	50.1 Å²	50.1	93%	0.929	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-39.3	-177.4	-29.4	36.3	0	0	0	114.5
111	E	76.9	Confident	89.4	Confident	182 Å²	182	48.5 Å²	48.5	85%	0.85	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.5	31.1	176.8	-57.7	-164.3	140	0	0	113.3	K109 R113	K109-E111 VanDerWaalsContact C-N 3.27Å; K109-E111 PolarHBondContact O-N 2.66Å; E111-R113 PolarHBondContact O-N 2.63Å; E111-R113 VanDerWaalsContact O-N 3.09Å
112	W	85.6	Confident	89.2	Confident	29 Å²	29	53 Å²	53	11%	0.11	25%	0.249	C	C	.	.			trans	-66.5	111.4	-179.2	-173.1	90	0	0	0	111.7	T108 K109 I114 T156 F193 L197 I248 W422 M424	T108-W112 HydrophobicContact CG2-CB 4.4Å; T108-W112 HydrophobicContact CG2-CD2 3.79Å; T108-W112 HydrophobicContact CG2-CE3 4.05Å; T108-W112 HydrophobicContact CG2-CG 3.96Å; K109-W112 HydrophobicContact CB-CB 4.39Å; K109-W112 WeakPolarHBondContact O-CB 3.18Å; K109-W112 PolarHBondContact O-N 3.46Å; W112-I114 HydrophobicContact CH2-CD1 3.69Å; W112-I114 HydrophobicContact CH2-CG1 3.64Å; W112-I114 HydrophobicContact CZ2-CG1 4.17Å; W112-I114 HydrophobicContact CZ3-CD1 4.07Å; W112-I114 HydrophobicContact CZ3-CG1 3.88Å; W112-T156 HydrophobicContact CZ2-CG2 4.45Å; W112-F193 AromaticContact CZ3-CE2 3.71Å; W112-F193 HydrophobicContact CZ3-CE2 3.71Å; W112-F193 AromaticContact CZ3-CZ 3.8Å; W112-F193 HydrophobicContact CZ3-CZ 3.8Å; W112-L197 HydrophobicContact CH2-CD2 3.86Å; W112-I248 HydrophobicContact CE3-CD1 4.36Å; W112-I248 HydrophobicContact CH2-CD1 4.44Å; W112-I248 HydrophobicContact CZ3-CD1 3.84Å; W112-W422 HydrophobicContact CZ2-CE3 4.29Å; W112-W422 PolarHBondContact NE1-O 2.71Å; W112-M424 HydrophobicContact CH2-CE 3.75Å; W112-M424 HydrophobicContact CH2-SD 4.22Å; W112-M424 HydrophobicContact CZ2-CE 3.74Å; W112-M424 HydrophobicContact CZ2-CG 4.09Å; W112-M424 HydrophobicContact CZ2-SD 3.77Å; W112-M424 HydrophobicContact CZ3-CE 4.33Å
113	R	86.1	Confident	88.9	Confident	135 Å²	135	56.6 Å²	56.6	51%	0.509	27%	0.273	S	S	.	.			trans	-125	146.2	175.7	-62.6	-123.5	-71.5	-101.8	2.6	110.3	E111 F185	E111-R113 PolarHBondContact O-N 2.63Å; E111-R113 VanDerWaalsContact O-N 3.09Å; R113-F185 HydrophobicContact CB-CD1 4.04Å; R113-F185 VanDerWaalsContact NH2-CD2 3.29Å; R113-F185 VanDerWaalsContact NH2-CE2 3.26Å
114	I	89.4	Confident	88.6	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	127	171.4	-50.8	177.3	0	0	0	107.8	W112 F154 F185 I186 F193 V196 W422	W112-I114 HydrophobicContact CH2-CD1 3.69Å; W112-I114 HydrophobicContact CH2-CG1 3.64Å; W112-I114 HydrophobicContact CZ2-CG1 4.17Å; W112-I114 HydrophobicContact CZ3-CD1 4.07Å; W112-I114 HydrophobicContact CZ3-CG1 3.88Å; I114-F154 HydrophobicContact CG2-CB 4.29Å; I114-F185 WeakPolarHBondContact O-CA 3.24Å; I114-I186 HydrophobicContact CB-CB 4.32Å; I114-I186 HydrophobicContact CB-CD1 4.28Å; I114-I186 HydrophobicContact CB-CG1 4.36Å; I114-I186 HydrophobicContact CG2-CD1 3.78Å; I114-I186 HydrophobicContact CG2-CG1 4.26Å; I114-I186 PolarHBondContact O-N 2.81Å; I114-F193 HydrophobicContact CD1-CD2 3.58Å; I114-F193 HydrophobicContact CD1-CE2 3.76Å; I114-F193 HydrophobicContact CD1-CG 4.46Å; I114-F193 HydrophobicContact CG1-CD2 4.26Å; I114-F193 HydrophobicContact CG1-CE2 4.17Å; I114-V196 HydrophobicContact CD1-CB 4.15Å; I114-V196 HydrophobicContact CD1-CG1 3.75Å; I114-V196 HydrophobicContact CG2-CG1 4.26Å; I114-W422 HydrophobicContact CG2-CZ3 4.32Å
115	V	90.7	Very high	88.3	Confident	3 Å²	3	63.1 Å²	63.1	2%	0.018	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	136.6	177.3	-161	0	0	0	0	109.2	Y117 F154 T155 K158 F182 F185	V115-Y117 HydrophobicContact CB-CD2 4.42Å; V115-Y117 HydrophobicContact CB-CE2 3.79Å; V115-Y117 HydrophobicContact CG1-CD2 4.07Å; V115-Y117 HydrophobicContact CG1-CE2 3.31Å; V115-F154 WeakPolarHBondContact O-CA 3.47Å; V115-T155 PolarHBondContact N-O 2.76Å; V115-T155 PolarHBondContact O-N 2.81Å; V115-K158 HydrophobicContact CG2-CB 4.33Å; V115-F182 HydrophobicContact CG1-CD2 3.96Å; V115-F182 HydrophobicContact CG1-CE2 3.62Å; V115-F185 HydrophobicContact CG2-CD1 4.15Å; V115-F185 HydrophobicContact CG2-CE1 4.1Å
116	H	92	Very high	87.8	Confident	14 Å²	14	67 Å²	67	7%	0.065	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	129.3	179	177.8	-152.4	0	0	0	110.1	Q152 F154 V183 G184 I186	H116-Q152 PolarHBondContact NE2-OE1 3.13Å; H116-F154 HydrophobicContact CB-CD1 4.03Å; H116-F154 HydrophobicContact CB-CE1 4Å; H116-F154 AromaticContact CD2-CD1 3.82Å; H116-F154 AromaticContact CD2-CE1 3.33Å; H116-F154 WeakPolarHBondContact CD2-CE1 3.37Å; H116-F154 AromaticContact CG-CE1 3.58Å; H116-F154 AromaticContact NE2-CE1 3.97Å; H116-V183 WeakPolarHBondContact O-CB 3.23Å; H116-V183 PolarHBondContact O-N 2.9Å; H116-G184 PolarHBondContact N-O 3.23Å; H116-G184 PolarHBondContact O-N 3.09Å; H116-I186 HydrophobicContact CB-CD1 4.45Å; H116-I186 HydrophobicContact CB-CG1 4.1Å
117	Y	91.8	Very high	87.4	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	149.7	178.1	-69.9	-84.8	0	0	0	111.1	V115 L153 T155 F159 I180 K181 F182	V115-Y117 HydrophobicContact CB-CD2 4.42Å; V115-Y117 HydrophobicContact CB-CE2 3.79Å; V115-Y117 HydrophobicContact CG1-CD2 4.07Å; V115-Y117 HydrophobicContact CG1-CE2 3.31Å; Y117-L153 HydrophobicContact CG-CD2 4.46Å; Y117-L153 PolarHBondContact N-O 3.25Å; Y117-L153 PolarHBondContact O-N 3.07Å; Y117-T155 HydrophobicContact CD2-CG2 4.04Å; Y117-T155 HydrophobicContact CE2-CG2 3.95Å; Y117-F159 HydrophobicContact CD1-CD2 4.25Å; Y117-F159 HydrophobicContact CD2-CE2 4.47Å; Y117-F159 AromaticContact CE1-CD2 3.63Å; Y117-F159 HydrophobicContact CE1-CD2 3.63Å; Y117-F159 HydrophobicContact CE1-CE2 4.36Å; Y117-F159 AromaticContact CE2-CD2 3.95Å; Y117-F159 HydrophobicContact CE2-CD2 3.95Å; Y117-F159 HydrophobicContact CE2-CE2 4.14Å; Y117-F159 AromaticContact CZ-CD2 3.47Å; Y117-F159 VanDerWaalsContact CZ-CD2 3.47Å; Y117-F159 PolarHBondContact OH-N 3.4Å; Y117-I180 HydrophobicContact CD1-CG2 3.65Å; Y117-I180 HydrophobicContact CE1-CG2 4.47Å; Y117-I180 HydrophobicContact CG-CG2 3.86Å; Y117-K181 CarbonylContact C-O 3.52Å; Y117-K181 VanDerWaalsContact CA-O 3.26Å; Y117-K181 WeakPolarHBondContact CA-O 3.18Å; Y117-K181 WeakPolarHBondContact CD1-O 3.17Å; Y117-F182 VanDerWaalsContact CD1-CA 3.5Å; Y117-F182 HydrophobicContact CD1-CB 4.16Å; Y117-F182 HydrophobicContact CE1-CB 3.77Å; Y117-F182 AromaticContact CE1-CD2 3.78Å; Y117-F182 HydrophobicContact CE1-CD2 3.78Å; Y117-F182 HydrophobicContact CE1-CG 4.28Å; Y117-F182 AromaticContact CZ-CD2 3.87Å
118	H	92.9	Very high	87	Confident	46 Å²	46	69.3 Å²	69.3	21%	0.213	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	144.7	166.5	-164.2	73.6	0	0	0	109.5	E120 L151 Q152 I180 K181 V183	H118-E120 IonicContact CD2-OE1 2.73Å; H118-E120 PolarHBondContact CD2-OE1 2.93Å; H118-E120 IonicContact NE2-OE1 2.65Å; H118-L151 VanDerWaalsContact CE1-CG 3.45Å; H118-L151 WeakPolarHBondContact CE1-CG 3.36Å; H118-Q152 PolarHBondContact ND1-OE1 3.24Å; H118-I180 CarbonylContact O-C 3.6Å; H118-I180 WeakPolarHBondContact O-CA 3.4Å; H118-K181 HydrophobicContact CB-CB 4.47Å; H118-K181 PolarHBondContact N-O 3.4Å; H118-K181 PolarHBondContact O-N 3.02Å; H118-V183 HydrophobicContact CB-CG2 3.89Å
119	V	92.8	Very high	86.9	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	115.1	-175.6	-168.8	0	0	0	0	111.6	F121 L135 F148 L151 L153 I178 S179 I180	V119-F121 HydrophobicContact CB-CE2 4.28Å; V119-F121 HydrophobicContact CG1-CD2 4.42Å; V119-F121 HydrophobicContact CG1-CE2 3.6Å; V119-F121 HydrophobicContact CG1-CZ 3.66Å; V119-L135 HydrophobicContact CG1-CD1 4.35Å; V119-F148 HydrophobicContact CB-CE2 3.65Å; V119-F148 HydrophobicContact CB-CZ 4Å; V119-F148 HydrophobicContact CG1-CE2 4.24Å; V119-F148 HydrophobicContact CG1-CZ 4.15Å; V119-F148 HydrophobicContact CG2-CD2 4.2Å; V119-F148 HydrophobicContact CG2-CE2 3.64Å; V119-F148 HydrophobicContact CG2-CZ 4.36Å; V119-L151 PolarHBondContact N-O 3.21Å; V119-L153 HydrophobicContact CG2-CB 3.54Å; V119-L153 HydrophobicContact CG2-CD2 4.04Å; V119-L153 HydrophobicContact CG2-CG 4.43Å; V119-I178 HydrophobicContact CG1-CG2 3.38Å; V119-S179 WeakPolarHBondContact CA-O 3.27Å; V119-I180 HydrophobicContact CG1-CG1 4.25Å; V119-I180 HydrophobicContact CG2-CG1 4.42Å
120	E	92.6	Very high	87.2	Confident	73 Å²	73	74 Å²	74	34%	0.341	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	157.4	173.8	-72.7	157.8	-142.8	0	0	111	H118 I178 S179 K181	H118-E120 IonicContact CD2-OE1 2.73Å; H118-E120 PolarHBondContact CD2-OE1 2.93Å; H118-E120 IonicContact NE2-OE1 2.65Å; E120-I178 WeakPolarHBondContact O-CA 3.34Å; E120-S179 PolarHBondContact N-O 3.33Å; E120-S179 PolarHBondContact O-N 3.22Å; E120-K181 WeakPolarHBondContact OE1-CE 3.43Å; E120-K181 IonicContact OE1-NZ 2.67Å; E120-K181 PolarHBondContact OE1-NZ 3.34Å; E120-K181 WeakPolarHBondContact OE2-CE 3.42Å; E120-K181 IonicContact OE2-NZ 3.61Å; E120-K181 PolarHBondContact OE2-NZ 2.79Å
121	F	91.6	Very high	87.8	Confident	12 Å²	12	69.6 Å²	69.6	5%	0.053	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	126.5	-177.2	-61.7	-100.8	0	0	0	109.7	V119 P123 S124 I125 R131 V134 L135 F148 I178	V119-F121 HydrophobicContact CB-CE2 4.28Å; V119-F121 HydrophobicContact CG1-CD2 4.42Å; V119-F121 HydrophobicContact CG1-CE2 3.6Å; V119-F121 HydrophobicContact CG1-CZ 3.66Å; F121-P123 CarbonylContact C-O 3.5Å; F121-P123 CarbonylContact O-C 3.52Å; F121-S124 PolarHBondContact O-N 2.87Å; F121-I125 HydrophobicContact CB-CD1 4.34Å; F121-I125 HydrophobicContact CD1-CD1 4.08Å; F121-I125 HydrophobicContact CG-CD1 4.37Å; F121-R131 HydrophobicContact CD2-CB 4.33Å; F121-R131 HydrophobicContact CD2-CG 3.89Å; F121-R131 HydrophobicContact CE1-CB 4.21Å; F121-R131 HydrophobicContact CE2-CB 3.76Å; F121-R131 HydrophobicContact CE2-CG 3.81Å; F121-R131 HydrophobicContact CG-CG 4.33Å; F121-R131 HydrophobicContact CZ-CB 3.69Å; F121-R131 HydrophobicContact CZ-CG 4.16Å; F121-V134 HydrophobicContact CD1-CG1 4.15Å; F121-V134 HydrophobicContact CE1-CB 4.3Å; F121-V134 HydrophobicContact CE1-CG1 3.97Å; F121-L135 HydrophobicContact CZ-CB 4.4Å; F121-F148 HydrophobicContact CE2-CE1 4.43Å; F121-F148 AromaticContact CE2-CZ 3.83Å; F121-F148 HydrophobicContact CE2-CZ 3.83Å; F121-F148 AromaticContact CZ-CE1 3.98Å; F121-F148 HydrophobicContact CZ-CE1 3.98Å; F121-F148 AromaticContact CZ-CZ 3.76Å; F121-F148 HydrophobicContact CZ-CZ 3.76Å; F121-I178 HydrophobicContact CD1-CG1 4.1Å; F121-I178 HydrophobicContact CD1-CG2 4.31Å; F121-I178 HydrophobicContact CE1-CD1 4.13Å; F121-I178 HydrophobicContact CE1-CG1 4.1Å; F121-I178 HydrophobicContact CE1-CG2 4.03Å; F121-I178 HydrophobicContact CZ-CG2 4.29Å
122	E	90	Very high	88.3	Confident	95 Å²	95	65 Å²	65	44%	0.444	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126.3	167.1	-63.6	164.6	-167.3	0	0	107.3	Y176 K177	E122-Y176 CarbonylContact O-C 3.55Å; E122-Y176 VanDerWaalsContact O-CA 3.24Å; E122-Y176 WeakPolarHBondContact O-CA 3.42Å; E122-K177 HydrophobicContact CB-CB 4.28Å; E122-K177 PolarHBondContact N-O 3.48Å; E122-K177 PolarHBondContact O-N 2.7Å; E122-K177 IonicContact OE1-NZ 3.06Å; E122-K177 PolarHBondContact OE1-NZ 2.9Å; E122-K177 WeakPolarHBondContact OE2-CD 3.2Å; E122-K177 WeakPolarHBondContact OE2-CE 3.43Å; E122-K177 IonicContact OE2-NZ 2.64Å; E122-K177 PolarHBondContact OE2-NZ 2.85Å
123	P	88.4	Confident	88.4	Confident	76 Å²	76	65.1 Å²	65.1	49%	0.494	33%	0.329	S	S	.	.	S	Bend	cis	-66.5	159.7	-10.7	30.7	-36.3	0	0	0	112.8	F121 I125 I174 E175	F121-P123 CarbonylContact C-O 3.5Å; F121-P123 CarbonylContact O-C 3.52Å; P123-I125 PolarHBondContact O-N 3.12Å; P123-I174 HydrophobicContact CG-CG2 4.39Å; P123-E175 WeakPolarHBondContact CD-O 3.14Å
124	S	87.7	Confident	88.5	Confident	113 Å²	113	59.4 Å²	59.4	79%	0.79	31%	0.31	S	S	*	.			trans	-63.8	100.2	-176.2	-65.6	0	0	0	0	113.6	F121	F121-S124 PolarHBondContact O-N 2.87Å
125	I	86.4	Confident	88.5	Confident	32 Å²	32	59.4 Å²	59.4	16%	0.164	31%	0.31	C	S	.	.			trans	-80	118.6	174.8	-59.2	167.8	0	0	0	109.8	F121 P123 V130 R131 V134	F121-I125 HydrophobicContact CB-CD1 4.34Å; F121-I125 HydrophobicContact CD1-CD1 4.08Å; F121-I125 HydrophobicContact CG-CD1 4.37Å; P123-I125 PolarHBondContact O-N 3.12Å; I125-V130 HydrophobicContact CD1-CG1 4.35Å; I125-V130 HydrophobicContact CG2-CB 3.75Å; I125-V130 HydrophobicContact CG2-CG1 3.85Å; I125-R131 HydrophobicContact CB-CG 3.88Å; I125-R131 HydrophobicContact CG2-CG 3.79Å; I125-R131 VanDerWaalsContact O-CZ 3.26Å; I125-R131 PolarHBondContact O-NE 3.09Å; I125-R131 PolarHBondContact O-NH2 3.42Å; I125-V134 HydrophobicContact CD1-CG2 4.05Å
126	E	83.7	Confident	88.3	Confident	179 Å²	179	61.8 Å²	61.8	84%	0.836	33%	0.326	S	S	*	.			trans	-71.7	-36.9	175.1	-71.1	-154.3	139.3	0	0	113.9	P128	E126-P128 VanDerWaalsContact O-CD 3.29Å; E126-P128 WeakPolarHBondContact O-CD 3.45Å
127	N	83.5	Confident	88.1	Confident	83 Å²	83	65.9 Å²	65.9	44%	0.444	35%	0.349	S	S	.	.			trans	-84.3	114.3	-168.6	-173.6	-25	0	0	0	111.7	R129 V130 R131	N127-R129 PolarHBondContact O-N 3.41Å; N127-R129 VanDerWaalsContact O-N 3.14Å; N127-R129 WeakPolarHBondContact OD1-CB 3.31Å; N127-R129 PolarHBondContact OD1-N 2.98Å; N127-R129 VanDerWaalsContact OD1-N 3.08Å; N127-V130 HydrophobicContact CB-CB 4.29Å; N127-V130 HydrophobicContact CB-CG2 3.91Å; N127-V130 PolarHBondContact O-N 2.82Å; N127-R131 PolarHBondContact O-N 3.38Å
128	P	82.1	Confident	87.8	Confident	58 Å²	58	67.6 Å²	67.6	38%	0.377	36%	0.357	S	S	.	.	H	α-helix	trans	-60.6	-29.4	-176.5	-25.5	36.3	0	0	0	113.8	E126 V130 R131 M132	E126-P128 VanDerWaalsContact O-CD 3.29Å; E126-P128 WeakPolarHBondContact O-CD 3.45Å; P128-V130 VanDerWaalsContact C-N 3.31Å; P128-V130 PolarHBondContact O-N 2.91Å; P128-R131 WeakPolarHBondContact O-CB 3.47Å; P128-R131 PolarHBondContact O-N 3.18Å; P128-M132 WeakPolarHBondContact O-CB 3.29Å; P128-M132 VanDerWaalsContact O-CG 3.23Å; P128-M132 WeakPolarHBondContact O-CG 3.21Å; P128-M132 PolarHBondContact O-N 2.73Å
129	R	84.8	Confident	87.2	Confident	208 Å²	208	66.9 Å²	66.9	79%	0.785	36%	0.359	S	S	*	.	H	α-helix	trans	-68.2	-33.3	177.3	-62.7	-176.6	-175.7	163.2	3.7	112.3	N127 G133	N127-R129 PolarHBondContact O-N 3.41Å; N127-R129 VanDerWaalsContact O-N 3.14Å; N127-R129 WeakPolarHBondContact OD1-CB 3.31Å; N127-R129 PolarHBondContact OD1-N 2.98Å; N127-R129 VanDerWaalsContact OD1-N 3.08Å; R129-G133 PolarHBondContact O-N 2.76Å
130	V	86.3	Confident	86.6	Confident	72 Å²	72	74.4 Å²	74.4	44%	0.436	40%	0.399	S	S	.	.	H	α-helix	trans	-71.7	-45.5	175.9	-178.9	0	0	0	0	109.1	I125 N127 P128 M132 G133 V134	I125-V130 HydrophobicContact CD1-CG1 4.35Å; I125-V130 HydrophobicContact CG2-CB 3.75Å; I125-V130 HydrophobicContact CG2-CG1 3.85Å; N127-V130 HydrophobicContact CB-CB 4.29Å; N127-V130 HydrophobicContact CB-CG2 3.91Å; N127-V130 PolarHBondContact O-N 2.82Å; P128-V130 VanDerWaalsContact C-N 3.31Å; P128-V130 PolarHBondContact O-N 2.91Å; V130-M132 VanDerWaalsContact C-N 3.31Å; V130-M132 PolarHBondContact O-N 2.98Å; V130-G133 PolarHBondContact O-N 2.96Å; V130-G133 VanDerWaalsContact O-N 3.11Å; V130-V134 HydrophobicContact CG1-CG2 4.29Å; V130-V134 WeakPolarHBondContact O-CB 3.4Å; V130-V134 VanDerWaalsContact O-CG2 3.32Å; V130-V134 WeakPolarHBondContact O-CG2 3.35Å; V130-V134 PolarHBondContact O-N 2.93Å
131	R	88.6	Confident	86.1	Confident	52 Å²	52	74 Å²	74	20%	0.196	40%	0.399	C	S	.	.	H	α-helix	trans	-52.5	-46.7	170.7	-64.4	-176	-175.8	-158.8	-5.6	112.5	F121 I125 N127 P128 V134 L135 F148 G150	F121-R131 HydrophobicContact CD2-CB 4.33Å; F121-R131 HydrophobicContact CD2-CG 3.89Å; F121-R131 HydrophobicContact CE1-CB 4.21Å; F121-R131 HydrophobicContact CE2-CB 3.76Å; F121-R131 HydrophobicContact CE2-CG 3.81Å; F121-R131 HydrophobicContact CG-CG 4.33Å; F121-R131 HydrophobicContact CZ-CB 3.69Å; F121-R131 HydrophobicContact CZ-CG 4.16Å; I125-R131 HydrophobicContact CB-CG 3.88Å; I125-R131 HydrophobicContact CG2-CG 3.79Å; I125-R131 VanDerWaalsContact O-CZ 3.26Å; I125-R131 PolarHBondContact O-NE 3.09Å; I125-R131 PolarHBondContact O-NH2 3.42Å; N127-R131 PolarHBondContact O-N 3.38Å; P128-R131 WeakPolarHBondContact O-CB 3.47Å; P128-R131 PolarHBondContact O-N 3.18Å; R131-V134 PolarHBondContact O-N 3.41Å; R131-L135 WeakPolarHBondContact O-CB 3.45Å; R131-L135 PolarHBondContact O-N 3.26Å; R131-F148 HydrophobicContact CB-CE1 4.18Å; R131-G150 WeakPolarHBondContact CD-O 3.36Å; R131-G150 PolarHBondContact NH1-O 2.89Å
132	M	87.5	Confident	85.5	Confident	84 Å²	84	73.4 Å²	73.4	41%	0.414	40%	0.396	S	S	.	.	H	α-helix	trans	-63.2	-40	177.7	-71.3	172.1	72.6	0	0	112.7	P128 V130 S136 F148	P128-M132 WeakPolarHBondContact O-CB 3.29Å; P128-M132 VanDerWaalsContact O-CG 3.23Å; P128-M132 WeakPolarHBondContact O-CG 3.21Å; P128-M132 PolarHBondContact O-N 2.73Å; V130-M132 VanDerWaalsContact C-N 3.31Å; V130-M132 PolarHBondContact O-N 2.98Å; M132-S136 WeakPolarHBondContact O-CB 3.43Å; M132-S136 PolarHBondContact O-N 3.26Å; M132-S136 PolarHBondContact O-OG 2.88Å; M132-F148 HydrophobicContact CB-CD1 4.29Å; M132-F148 WeakPolarHBondContact CE-O 3.23Å; M132-F148 HydrophobicContact CG-CD1 3.72Å; M132-F148 HydrophobicContact CG-CE1 4.12Å
133	G	87.1	Confident	84.7	Confident	33 Å²	33	70 Å²	70	34%	0.34	39%	0.386	S	S	.	.	H	α-helix	trans	-64.8	-49.3	174.9	0	0	0	0	0	112.2	R129 V130 L135 S136 N137	R129-G133 PolarHBondContact O-N 2.76Å; V130-G133 PolarHBondContact O-N 2.96Å; V130-G133 VanDerWaalsContact O-N 3.11Å; G133-L135 PolarHBondContact O-N 3.22Å; G133-S136 PolarHBondContact O-N 2.93Å; G133-S136 VanDerWaalsContact O-N 3.1Å; G133-S136 PolarHBondContact O-OG 3.24Å; G133-N137 PolarHBondContact O-N 3.25Å
134	V	88.8	Confident	83.9	Confident	15 Å²	15	69.8 Å²	69.8	9%	0.091	39%	0.387	C	S	.	.	H	α-helix	trans	-56.1	-50.7	176.5	170.6	0	0	0	0	111	F121 I125 V130 R131 S136 N137 Y176 I178	F121-V134 HydrophobicContact CD1-CG1 4.15Å; F121-V134 HydrophobicContact CE1-CB 4.3Å; F121-V134 HydrophobicContact CE1-CG1 3.97Å; I125-V134 HydrophobicContact CD1-CG2 4.05Å; V130-V134 HydrophobicContact CG1-CG2 4.29Å; V130-V134 WeakPolarHBondContact O-CB 3.4Å; V130-V134 VanDerWaalsContact O-CG2 3.32Å; V130-V134 WeakPolarHBondContact O-CG2 3.35Å; V130-V134 PolarHBondContact O-N 2.93Å; R131-V134 PolarHBondContact O-N 3.41Å; V134-S136 VanDerWaalsContact C-N 3.27Å; V134-S136 PolarHBondContact O-N 3.12Å; V134-N137 WeakPolarHBondContact O-CB 3.3Å; V134-N137 PolarHBondContact O-N 3.07Å; V134-N137 PolarHBondContact O-ND2 3.24Å; V134-Y176 HydrophobicContact CG1-CD1 4.12Å; V134-Y176 HydrophobicContact CG1-CD2 3.55Å; V134-Y176 HydrophobicContact CG1-CE1 4.04Å; V134-Y176 HydrophobicContact CG1-CE2 3.49Å; V134-Y176 VanDerWaalsContact CG1-CE2 3.49Å; V134-Y176 HydrophobicContact CG1-CG 3.89Å; V134-I178 HydrophobicContact CG1-CD1 3.98Å; V134-I178 HydrophobicContact CG1-CG1 4.41Å
135	L	88.8	Confident	83.6	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-63.4	-32.3	177.4	-169.6	69.5	0	0	0	112.5	V119 F121 R131 G133 N137 H138 L142 Y146 F148 L153 I178 I180	V119-L135 HydrophobicContact CG1-CD1 4.35Å; F121-L135 HydrophobicContact CZ-CB 4.4Å; R131-L135 WeakPolarHBondContact O-CB 3.45Å; R131-L135 PolarHBondContact O-N 3.26Å; G133-L135 PolarHBondContact O-N 3.22Å; L135-N137 PolarHBondContact O-N 3.4Å; L135-H138 PolarHBondContact O-N 2.87Å; L135-L142 HydrophobicContact CD1-CD1 4.31Å; L135-L142 HydrophobicContact CD1-CD2 4.39Å; L135-L142 HydrophobicContact CD2-CD1 4.22Å; L135-L142 HydrophobicContact CG-CD1 3.87Å; L135-Y146 HydrophobicContact CD2-CE2 4.43Å; L135-F148 HydrophobicContact CB-CD1 4.17Å; L135-F148 HydrophobicContact CB-CE1 4.05Å; L135-F148 HydrophobicContact CD2-CB 4.03Å; L135-F148 HydrophobicContact CD2-CD1 3.37Å; L135-F148 HydrophobicContact CD2-CD2 3.76Å; L135-F148 HydrophobicContact CD2-CE1 3.63Å; L135-F148 HydrophobicContact CD2-CE2 4.03Å; L135-F148 HydrophobicContact CD2-CG 3.44Å; L135-F148 VanDerWaalsContact CD2-CG 3.44Å; L135-F148 HydrophobicContact CD2-CZ 3.96Å; L135-F148 HydrophobicContact CG-CD1 4.38Å; L135-F148 HydrophobicContact CG-CE1 4.47Å; L135-L153 HydrophobicContact CD2-CD1 4.37Å; L135-I178 HydrophobicContact CD1-CD1 3.95Å; L135-I178 HydrophobicContact CD1-CG2 4.07Å; L135-I180 HydrophobicContact CD1-CD1 4.11Å
136	S	87.3	Confident	83.7	Confident	53 Å²	53	64.5 Å²	64.5	37%	0.371	35%	0.348	S	S	.	.	H	α-helix	trans	-67.7	-19.4	179.3	73.5	0	0	0	0	114.7	M132 G133 V134 H138 A139 Y146	M132-S136 WeakPolarHBondContact O-CB 3.43Å; M132-S136 PolarHBondContact O-N 3.26Å; M132-S136 PolarHBondContact O-OG 2.88Å; G133-S136 PolarHBondContact O-N 2.93Å; G133-S136 VanDerWaalsContact O-N 3.1Å; G133-S136 PolarHBondContact O-OG 3.24Å; V134-S136 VanDerWaalsContact C-N 3.27Å; V134-S136 PolarHBondContact O-N 3.12Å; S136-H138 PolarHBondContact O-N 2.86Å; S136-A139 WeakPolarHBondContact O-CB 3.48Å; S136-A139 PolarHBondContact O-N 3.03Å; S136-Y146 WeakPolarHBondContact CA-OH 3.41Å; S136-Y146 WeakPolarHBondContact CB-OH 3.47Å
137	N	87.1	Confident	83.9	Confident	100 Å²	100	57.1 Å²	57.1	54%	0.535	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-28.1	170.1	-61.1	-25.2	0	0	0	111.9	G133 V134 L135 Y176	G133-N137 PolarHBondContact O-N 3.25Å; V134-N137 WeakPolarHBondContact O-CB 3.3Å; V134-N137 PolarHBondContact O-N 3.07Å; V134-N137 PolarHBondContact O-ND2 3.24Å; L135-N137 PolarHBondContact O-N 3.4Å; N137-Y176 PolarHBondContact ND2-OH 3.3Å; N137-Y176 VanDerWaalsContact ND2-OH 3.07Å
138	H	86.6	Confident	84.1	Confident	36 Å²	36	54.1 Å²	54.1	17%	0.167	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	15.7	-178.3	-54.6	-83.9	0	0	0	113.4	L135 S136 N140 L141 L142 L166 S167 Y176	L135-H138 PolarHBondContact O-N 2.87Å; S136-H138 PolarHBondContact O-N 2.86Å; H138-N140 PolarHBondContact O-N 2.92Å; H138-L141 PolarHBondContact O-N 3.47Å; H138-L142 PolarHBondContact O-N 3.42Å; H138-L166 HydrophobicContact CB-CD1 3.86Å; H138-S167 PolarHBondContact CE1-O 2.54Å; H138-Y176 AromaticContact NE2-CE2 3.5Å
139	A	80.6	Confident	84	Confident	31 Å²	31	54.9 Å²	54.9	26%	0.256	30%	0.298	S	S	.	.	H	α-helix	trans	-50.6	-34.9	-176	0	0	0	0	0	113.9	S136 L141 L142 G143 Y146	S136-A139 WeakPolarHBondContact O-CB 3.48Å; S136-A139 PolarHBondContact O-N 3.03Å; A139-L141 PolarHBondContact O-N 3.1Å; A139-L142 PolarHBondContact O-N 3.31Å; A139-G143 PolarHBondContact O-N 3.07Å; A139-Y146 HydrophobicContact CB-CE1 4.05Å
140	N	80.3	Confident	83.8	Confident	158 Å²	158	45.1 Å²	45.1	85%	0.845	26%	0.262	S	S	*	.	H	α-helix	trans	-56.1	-35.1	176.5	-61.7	-3	0	0	0	113	H138	H138-N140 PolarHBondContact O-N 2.92Å
141	L	80.4	Confident	83.8	Confident	64 Å²	64	44.5 Å²	44.5	34%	0.335	26%	0.256	S	S	.	.	H	α-helix	trans	-82.1	-38.7	179	-165.3	75.3	0	0	0	112	H138 A139 G143 R157 F159 T164 L166	H138-L141 PolarHBondContact O-N 3.47Å; A139-L141 PolarHBondContact O-N 3.1Å; L141-G143 PolarHBondContact O-N 2.82Å; L141-G143 VanDerWaalsContact O-N 3.14Å; L141-R157 VanDerWaalsContact O-CD 3.31Å; L141-R157 WeakPolarHBondContact O-CD 3.34Å; L141-R157 PolarHBondContact O-NH1 2.89Å; L141-F159 HydrophobicContact CD2-CE1 4.47Å; L141-F159 HydrophobicContact CG-CE1 4.19Å; L141-T164 HydrophobicContact CD2-CG2 4.4Å; L141-L166 HydrophobicContact CD2-CD1 4.37Å; L141-L166 HydrophobicContact CD2-CD2 3.31Å; L141-L166 HydrophobicContact CD2-CG 4.43Å
142	L	78.8	Confident	83.8	Confident	0 Å²	0	44 Å²	44	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.2	-18.3	-179.4	-54	176.3	0	0	0	113.5	L135 H138 A139 Y146 L153 T155 F159 I180	L135-L142 HydrophobicContact CD1-CD1 4.31Å; L135-L142 HydrophobicContact CD1-CD2 4.39Å; L135-L142 HydrophobicContact CD2-CD1 4.22Å; L135-L142 HydrophobicContact CG-CD1 3.87Å; H138-L142 PolarHBondContact O-N 3.42Å; A139-L142 PolarHBondContact O-N 3.31Å; L142-Y146 HydrophobicContact CB-CD1 3.98Å; L142-Y146 HydrophobicContact CB-CG 4.2Å; L142-Y146 HydrophobicContact CD1-CD1 3.91Å; L142-Y146 HydrophobicContact CD1-CD2 3.95Å; L142-Y146 HydrophobicContact CD1-CE1 3.77Å; L142-Y146 HydrophobicContact CD1-CE2 3.79Å; L142-Y146 HydrophobicContact CD1-CG 4.01Å; L142-L153 HydrophobicContact CD2-CD2 4.08Å; L142-T155 PolarHBondContact O-OG1 3Å; L142-F159 HydrophobicContact CD2-CZ 4.11Å; L142-I180 HydrophobicContact CD2-CD1 3.98Å
143	G	73.6	Confident	83.9	Confident	22 Å²	22	40 Å²	40	23%	0.227	24%	0.236	C	C	.	.			trans	91.6	165.4	-171.9	0	0	0	0	0	111.8	A139 L141 G145	A139-G143 PolarHBondContact O-N 3.07Å; L141-G143 PolarHBondContact O-N 2.82Å; L141-G143 VanDerWaalsContact O-N 3.14Å; G143-G145 VanDerWaalsContact C-N 3.26Å; G143-G145 PolarHBondContact O-N 3.45Å
144	S	72.2	Confident	84.1	Confident	73 Å²	73	40 Å²	40	51%	0.51	23%	0.227	S	C	.	.	S	Bend	trans	-53.9	-39.9	-176.9	42.8	0	0	0	0	113.7	D421	S144-D421 PolarHBondContact OG-O 3.43Å
145	G	80.3	Confident	84.2	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.01	22%	0.222	C	C	.	.			trans	-118.1	107.2	-175.6	0	0	0	0	0	112.7	G143 D421	G143-G145 VanDerWaalsContact C-N 3.26Å; G143-G145 PolarHBondContact O-N 3.45Å; G145-D421 VanDerWaalsContact CA-O 3.29Å; G145-D421 WeakPolarHBondContact CA-O 3.37Å; G145-D421 PolarHBondContact N-O 3.16Å
146	Y	89.7	Confident	84.2	Confident	33 Å²	33	41 Å²	41	13%	0.129	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	157.2	168.4	77.7	-83.2	0	0	0	112.4	L135 S136 A139 L142 F148 L153 F154 R203	L135-Y146 HydrophobicContact CD2-CE2 4.43Å; S136-Y146 WeakPolarHBondContact CA-OH 3.41Å; S136-Y146 WeakPolarHBondContact CB-OH 3.47Å; A139-Y146 HydrophobicContact CB-CE1 4.05Å; L142-Y146 HydrophobicContact CB-CD1 3.98Å; L142-Y146 HydrophobicContact CB-CG 4.2Å; L142-Y146 HydrophobicContact CD1-CD1 3.91Å; L142-Y146 HydrophobicContact CD1-CD2 3.95Å; L142-Y146 HydrophobicContact CD1-CE1 3.77Å; L142-Y146 HydrophobicContact CD1-CE2 3.79Å; L142-Y146 HydrophobicContact CD1-CG 4.01Å; Y146-F148 HydrophobicContact CD2-CB 4.05Å; Y146-F148 HydrophobicContact CE2-CB 3.97Å; Y146-L153 HydrophobicContact CD2-CD1 3.67Å; Y146-L153 HydrophobicContact CG-CD1 4.21Å; Y146-F154 CarbonylContact C-O 3.58Å; Y146-F154 VanDerWaalsContact CA-O 3.23Å; Y146-F154 WeakPolarHBondContact CA-O 3.29Å; Y146-F154 WeakPolarHBondContact CB-O 3.41Å; Y146-R203 PolarHBondContact O-NH1 3.39Å
147	L	87.9	Confident	84.1	Confident	24 Å²	24	43.4 Å²	43.4	13%	0.126	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	137.8	168.4	-71.8	174.8	0	0	0	108.3	L153 F154 V196 L199 I200 W422	L147-L153 WeakPolarHBondContact O-CA 3.48Å; L147-F154 HydrophobicContact CB-CB 4.42Å; L147-F154 HydrophobicContact CB-CD2 4.37Å; L147-F154 PolarHBondContact N-O 3.48Å; L147-F154 PolarHBondContact O-N 3.07Å; L147-V196 HydrophobicContact CD1-CG1 4.11Å; L147-L199 HydrophobicContact CD1-CB 3.46Å; L147-L199 VanDerWaalsContact CD1-CB 3.46Å; L147-L199 HydrophobicContact CD1-CD1 4.09Å; L147-L199 HydrophobicContact CD1-CG 4.43Å; L147-L199 HydrophobicContact CD2-CB 4.37Å; L147-I200 HydrophobicContact CD1-CG1 4.2Å; L147-W422 HydrophobicContact CB-CZ2 4.32Å; L147-W422 HydrophobicContact CD1-CZ2 4.31Å; L147-W422 HydrophobicContact CG-CZ2 3.82Å
148	F	87.1	Confident	84.1	Confident	20 Å²	20	44.3 Å²	44.3	9%	0.088	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	135	179.1	-179.3	-123.1	0	0	0	109.7	V119 F121 R131 M132 L135 Y146 Q152 L153	V119-F148 HydrophobicContact CB-CE2 3.65Å; V119-F148 HydrophobicContact CB-CZ 4Å; V119-F148 HydrophobicContact CG1-CE2 4.24Å; V119-F148 HydrophobicContact CG1-CZ 4.15Å; V119-F148 HydrophobicContact CG2-CD2 4.2Å; V119-F148 HydrophobicContact CG2-CE2 3.64Å; V119-F148 HydrophobicContact CG2-CZ 4.36Å; F121-F148 HydrophobicContact CE2-CE1 4.43Å; F121-F148 AromaticContact CE2-CZ 3.83Å; F121-F148 HydrophobicContact CE2-CZ 3.83Å; F121-F148 AromaticContact CZ-CE1 3.98Å; F121-F148 HydrophobicContact CZ-CE1 3.98Å; F121-F148 AromaticContact CZ-CZ 3.76Å; F121-F148 HydrophobicContact CZ-CZ 3.76Å; R131-F148 HydrophobicContact CB-CE1 4.18Å; M132-F148 HydrophobicContact CB-CD1 4.29Å; M132-F148 WeakPolarHBondContact CE-O 3.23Å; M132-F148 HydrophobicContact CG-CD1 3.72Å; M132-F148 HydrophobicContact CG-CE1 4.12Å; L135-F148 HydrophobicContact CB-CD1 4.17Å; L135-F148 HydrophobicContact CB-CE1 4.05Å; L135-F148 HydrophobicContact CD2-CB 4.03Å; L135-F148 HydrophobicContact CD2-CD1 3.37Å; L135-F148 HydrophobicContact CD2-CD2 3.76Å; L135-F148 HydrophobicContact CD2-CE1 3.63Å; L135-F148 HydrophobicContact CD2-CE2 4.03Å; L135-F148 HydrophobicContact CD2-CG 3.44Å; L135-F148 VanDerWaalsContact CD2-CG 3.44Å; L135-F148 HydrophobicContact CD2-CZ 3.96Å; L135-F148 HydrophobicContact CG-CD1 4.38Å; L135-F148 HydrophobicContact CG-CE1 4.47Å; Y146-F148 HydrophobicContact CD2-CB 4.05Å; Y146-F148 HydrophobicContact CE2-CB 3.97Å; F148-Q152 WeakPolarHBondContact CA-O 3.33Å; F148-Q152 VanDerWaalsContact CD2-O 3.29Å; F148-Q152 WeakPolarHBondContact CD2-O 3.36Å; F148-L153 HydrophobicContact CB-CD1 4.33Å; F148-L153 HydrophobicContact CD2-CB 3.95Å
149	D	79.9	Confident	84.2	Confident	73 Å²	73	43.3 Å²	43.3	39%	0.39	23%	0.228	S	C	.	.			trans	-106.1	-3.9	-178.2	70.4	-3.1	0	0	0	114.2	L151 Q152	D149-L151 PolarHBondContact OD1-N 2.78Å; D149-Q152 PolarHBondContact N-O 3.15Å; D149-Q152 PolarHBondContact OD1-N 2.86Å
150	G	80.9	Confident	84.4	Confident	3 Å²	3	50.9 Å²	50.9	3%	0.031	26%	0.258	C	S	.	.	S	Bend	trans	108.6	-5.7	-170.5	0	0	0	0	0	114.2	R131	R131-G150 WeakPolarHBondContact CD-O 3.36Å; R131-G150 PolarHBondContact NH1-O 2.89Å
151	L	85.6	Confident	84.6	Confident	60 Å²	60	49.3 Å²	49.3	31%	0.314	25%	0.246	S	C	.	.	S	Bend	trans	-145.9	-44	177.9	-169.7	75.2	0	0	0	112.8	H118 V119 D149	H118-L151 VanDerWaalsContact CE1-CG 3.45Å; H118-L151 WeakPolarHBondContact CE1-CG 3.36Å; V119-L151 PolarHBondContact N-O 3.21Å; D149-L151 PolarHBondContact OD1-N 2.78Å
152	Q	89.4	Confident	84.7	Confident	42 Å²	42	53.2 Å²	53.2	20%	0.196	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127.4	-177	-51.2	-63.8	-9	0	0	110.1	H116 H118 F148 D149 F154	H116-Q152 PolarHBondContact NE2-OE1 3.13Å; H118-Q152 PolarHBondContact ND1-OE1 3.24Å; F148-Q152 WeakPolarHBondContact CA-O 3.33Å; F148-Q152 VanDerWaalsContact CD2-O 3.29Å; F148-Q152 WeakPolarHBondContact CD2-O 3.36Å; D149-Q152 PolarHBondContact N-O 3.15Å; D149-Q152 PolarHBondContact OD1-N 2.86Å; Q152-F154 HydrophobicContact CB-CE2 4.29Å; Q152-F154 HydrophobicContact CB-CZ 4.17Å
153	L	90.4	Very high	85.2	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	131.9	-179.6	167.3	67.3	0	0	0	110.2	Y117 V119 L135 L142 Y146 L147 F148 I180	Y117-L153 HydrophobicContact CG-CD2 4.46Å; Y117-L153 PolarHBondContact N-O 3.25Å; Y117-L153 PolarHBondContact O-N 3.07Å; V119-L153 HydrophobicContact CG2-CB 3.54Å; V119-L153 HydrophobicContact CG2-CD2 4.04Å; V119-L153 HydrophobicContact CG2-CG 4.43Å; L135-L153 HydrophobicContact CD2-CD1 4.37Å; L142-L153 HydrophobicContact CD2-CD2 4.08Å; Y146-L153 HydrophobicContact CD2-CD1 3.67Å; Y146-L153 HydrophobicContact CG-CD1 4.21Å; L147-L153 WeakPolarHBondContact O-CA 3.48Å; F148-L153 HydrophobicContact CB-CD1 4.33Å; F148-L153 HydrophobicContact CD2-CB 3.95Å; L153-I180 HydrophobicContact CD2-CD1 4.39Å; L153-I180 HydrophobicContact CD2-CG2 3.91Å
154	F	91.2	Very high	85.9	Confident	31 Å²	31	56.7 Å²	56.7	14%	0.136	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.3	173.9	-51.9	-70	0	0	0	109.9	I114 V115 H116 Y146 L147 Q152 I186 V196 W422	I114-F154 HydrophobicContact CG2-CB 4.29Å; V115-F154 WeakPolarHBondContact O-CA 3.47Å; H116-F154 HydrophobicContact CB-CD1 4.03Å; H116-F154 HydrophobicContact CB-CE1 4Å; H116-F154 AromaticContact CD2-CD1 3.82Å; H116-F154 AromaticContact CD2-CE1 3.33Å; H116-F154 WeakPolarHBondContact CD2-CE1 3.37Å; H116-F154 AromaticContact CG-CE1 3.58Å; H116-F154 AromaticContact NE2-CE1 3.97Å; Y146-F154 CarbonylContact C-O 3.58Å; Y146-F154 VanDerWaalsContact CA-O 3.23Å; Y146-F154 WeakPolarHBondContact CA-O 3.29Å; Y146-F154 WeakPolarHBondContact CB-O 3.41Å; L147-F154 HydrophobicContact CB-CB 4.42Å; L147-F154 HydrophobicContact CB-CD2 4.37Å; L147-F154 PolarHBondContact N-O 3.48Å; L147-F154 PolarHBondContact O-N 3.07Å; Q152-F154 HydrophobicContact CB-CE2 4.29Å; Q152-F154 HydrophobicContact CB-CZ 4.17Å; F154-I186 HydrophobicContact CD1-CD1 3.67Å; F154-I186 HydrophobicContact CE1-CD1 3.74Å; F154-V196 HydrophobicContact CB-CG2 4.27Å; F154-V196 HydrophobicContact CD1-CG2 4.12Å; F154-V196 HydrophobicContact CD2-CG2 3.86Å; F154-V196 HydrophobicContact CE1-CG2 4.42Å; F154-V196 HydrophobicContact CE2-CG2 4.2Å; F154-V196 HydrophobicContact CG-CG2 3.81Å; F154-V196 HydrophobicContact CZ-CG2 4.46Å; F154-W422 HydrophobicContact CB-CH2 4.2Å; F154-W422 WeakPolarHBondContact O-CH2 3.41Å
155	T	91	Very high	86.6	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	167.4	178.3	176	0	0	0	0	110	V115 Y117 L142 R157	V115-T155 PolarHBondContact N-O 2.76Å; V115-T155 PolarHBondContact O-N 2.81Å; Y117-T155 HydrophobicContact CD2-CG2 4.04Å; Y117-T155 HydrophobicContact CE2-CG2 3.95Å; L142-T155 PolarHBondContact O-OG1 3Å; T155-R157 VanDerWaalsContact CG2-O 3.29Å; T155-R157 WeakPolarHBondContact CG2-O 3.49Å; T155-R157 PolarHBondContact OG1-N 2.85Å; T155-R157 VanDerWaalsContact OG1-N 3.11Å
156	T	86.9	Confident	87	Confident	36 Å²	36	57.8 Å²	57.8	22%	0.221	28%	0.278	C	S	.	.	S	Bend	trans	-90.3	-11.2	167.8	57.5	0	0	0	0	113.2	W112 W422 N423	W112-T156 HydrophobicContact CZ2-CG2 4.45Å; T156-W422 HydrophobicContact CG2-CE3 3.68Å; T156-W422 HydrophobicContact CG2-CZ3 4.06Å; T156-N423 PolarHBondContact OG1-ND2 2.86Å
157	R	86.9	Confident	87	Confident	105 Å²	105	60.9 Å²	60.9	40%	0.396	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-84.3	126.6	176.1	-171.9	-180	-172.8	168	6.5	109.9	L141 T155	L141-R157 VanDerWaalsContact O-CD 3.31Å; L141-R157 WeakPolarHBondContact O-CD 3.34Å; L141-R157 PolarHBondContact O-NH1 2.89Å; T155-R157 VanDerWaalsContact CG2-O 3.29Å; T155-R157 WeakPolarHBondContact CG2-O 3.49Å; T155-R157 PolarHBondContact OG1-N 2.85Å; T155-R157 VanDerWaalsContact OG1-N 3.11Å
158	K	87.3	Confident	86.9	Confident	119 Å²	119	60.8 Å²	60.8	52%	0.517	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-86.2	128.3	162	-160.2	-151.6	173.5	-164.5	0	108.5	V115 F182 F185	V115-K158 HydrophobicContact CG2-CB 4.33Å; K158-F182 HydrophobicContact CG-CE2 4.48Å; K158-F185 HydrophobicContact CD-CZ 4.31Å
159	F	87.9	Confident	86.7	Confident	14 Å²	14	64.7 Å²	64.7	6%	0.061	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-75.9	152.6	163.2	-56.7	-61.4	0	0	0	110.6	Y117 L141 L142 T164 I180	Y117-F159 HydrophobicContact CD1-CD2 4.25Å; Y117-F159 HydrophobicContact CD2-CE2 4.47Å; Y117-F159 AromaticContact CE1-CD2 3.63Å; Y117-F159 HydrophobicContact CE1-CD2 3.63Å; Y117-F159 HydrophobicContact CE1-CE2 4.36Å; Y117-F159 AromaticContact CE2-CD2 3.95Å; Y117-F159 HydrophobicContact CE2-CD2 3.95Å; Y117-F159 HydrophobicContact CE2-CE2 4.14Å; Y117-F159 AromaticContact CZ-CD2 3.47Å; Y117-F159 VanDerWaalsContact CZ-CD2 3.47Å; Y117-F159 PolarHBondContact OH-N 3.4Å; L141-F159 HydrophobicContact CD2-CE1 4.47Å; L141-F159 HydrophobicContact CG-CE1 4.19Å; L142-F159 HydrophobicContact CD2-CZ 4.11Å; F159-T164 WeakPolarHBondContact CB-OG1 3.45Å; F159-I180 HydrophobicContact CD2-CG2 4.37Å; F159-I180 HydrophobicContact CE2-CG2 4.07Å
160	E	84.4	Confident	86.7	Confident	190 Å²	190	62.9 Å²	62.9	89%	0.888	32%	0.319	S	S	*	.	S	Bend	trans	-74.5	-41.6	179.5	-69.8	159	-149.6	0	0	111.5
161	Q	84.3	Confident	86.6	Confident	125 Å²	125	73.1 Å²	73.1	58%	0.584	36%	0.363	S	S	*	.	S	Bend	trans	-81.4	140.7	178.1	-64.6	169.6	-11.8	0	0	111.2	I163	Q161-I163 VanDerWaalsContact C-N 3.31Å; Q161-I163 PolarHBondContact O-N 2.92Å
162	E	82.6	Confident	86.3	Confident	147 Å²	147	77.1 Å²	77.1	69%	0.687	38%	0.383	S	S	*	.	S	Bend	trans	-63.9	-36.9	173.6	-176.8	174.6	-151.6	0	0	112	K181 F182	E162-K181 CarbonylContact O-C 3.56Å; E162-K181 WeakPolarHBondContact O-CA 3.35Å; E162-F182 HydrophobicContact CG-CB 4.33Å; E162-F182 WeakPolarHBondContact O-CB 3.38Å; E162-F182 PolarHBondContact O-N 3.13Å
163	I	88.9	Confident	85.9	Confident	82 Å²	82	80 Å²	80	42%	0.421	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	108.5	171.6	-52.7	-174.2	0	0	0	108.1	Q161 V165 S179 I180 K181	Q161-I163 VanDerWaalsContact C-N 3.31Å; Q161-I163 PolarHBondContact O-N 2.92Å; I163-V165 HydrophobicContact CG2-CG2 4.2Å; I163-S179 WeakPolarHBondContact CG2-OG 3.37Å; I163-I180 WeakPolarHBondContact CA-O 3.35Å; I163-K181 HydrophobicContact CD1-CD 4.48Å; I163-K181 HydrophobicContact CD1-CG 4.25Å; I163-K181 HydrophobicContact CG1-CG 4.08Å; I163-K181 HydrophobicContact CG2-CG 4.2Å
164	T	88.3	Confident	85.7	Confident	12 Å²	12	84.5 Å²	84.5	7%	0.074	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	118.7	172.3	-58.1	0	0	0	0	108.9	L141 F159 L166 I180	L141-T164 HydrophobicContact CD2-CG2 4.4Å; F159-T164 WeakPolarHBondContact CB-OG1 3.45Å; T164-L166 HydrophobicContact CG2-CD2 4.24Å; T164-I180 PolarHBondContact N-O 3.13Å; T164-I180 WeakPolarHBondContact O-CB 3.08Å; T164-I180 PolarHBondContact O-N 2.71Å
165	V	88.8	Confident	85.7	Confident	78 Å²	78	89.5 Å²	89.5	47%	0.473	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	132.4	178.9	-179	0	0	0	0	110	I163 K177 I178	I163-V165 HydrophobicContact CG2-CG2 4.2Å; V165-K177 HydrophobicContact CG1-CD 4.01Å; V165-K177 HydrophobicContact CG1-CG 3.74Å; V165-I178 WeakPolarHBondContact CA-O 3.45Å
166	L	88.1	Confident	85.6	Confident	20 Å²	20	90.3 Å²	90.3	11%	0.105	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	134.5	175.1	-52.2	173	0	0	0	109.6	H138 L141 T164 K177 I178 I180	H138-L166 HydrophobicContact CB-CD1 3.86Å; L141-L166 HydrophobicContact CD2-CD1 4.37Å; L141-L166 HydrophobicContact CD2-CD2 3.31Å; L141-L166 HydrophobicContact CD2-CG 4.43Å; T164-L166 HydrophobicContact CG2-CD2 4.24Å; L166-K177 CarbonylContact O-C 3.58Å; L166-K177 WeakPolarHBondContact O-CA 3.17Å; L166-I178 HydrophobicContact CB-CB 4.23Å; L166-I178 HydrophobicContact CB-CD1 4.5Å; L166-I178 HydrophobicContact CB-CG1 4.5Å; L166-I178 PolarHBondContact N-O 2.84Å; L166-I178 PolarHBondContact O-N 3.44Å; L166-I180 HydrophobicContact CD1-CD1 3.62Å; L166-I180 HydrophobicContact CG-CD1 4.35Å
167	S	88.6	Confident	85.9	Confident	98 Å²	98	92.7 Å²	92.7	69%	0.685	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.4	155.8	172.1	54	0	0	0	0	111.4	H138 Y176	H138-S167 PolarHBondContact CE1-O 2.54Å; S167-Y176 WeakPolarHBondContact CA-O 3.28Å
168	G	86.3	Confident	86.2	Confident	21 Å²	21	87.7 Å²	87.7	22%	0.216	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.1	168	174.5	0	0	0	0	0	112.1	Y176	G168-Y176 PolarHBondContact N-O 3.33Å; G168-Y176 VanDerWaalsContact O-CD1 3.31Å; G168-Y176 WeakPolarHBondContact O-CD1 3.32Å; G168-Y176 WeakPolarHBondContact O-CE1 3.48Å; G168-Y176 PolarHBondContact O-N 2.8Å
169	K	83.3	Confident	86.4	Confident	102 Å²	102	82.7 Å²	82.7	44%	0.443	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	144	173.7	-67.7	-159.8	170	-164.1	0	111.7	D173 E175 Y176	K169-D173 WeakPolarHBondContact CD-O 3.4Å; K169-D173 WeakPolarHBondContact CD-OD1 3.3Å; K169-D173 IonicContact NZ-OD1 2.69Å; K169-D173 IonicContact NZ-OD2 2.73Å; K169-D173 PolarHBondContact NZ-OD2 3.12Å; K169-E175 HydrophobicContact CD-CG 4.2Å; K169-E175 WeakPolarHBondContact CE-OE1 3.12Å; K169-E175 HydrophobicContact CG-CG 3.76Å; K169-E175 IonicContact NZ-OE1 3.79Å; K169-Y176 WeakPolarHBondContact O-CE1 3.39Å
170	S	80.3	Confident	86.7	Confident	35 Å²	35	82 Å²	82	25%	0.245	42%	0.416	C	S	.	.			trans	-80.8	174.7	175.9	76.3	0	0	0	0	111.6	L172 D173 I174	S170-L172 PolarHBondContact O-N 2.87Å; S170-L172 VanDerWaalsContact O-N 3.07Å; S170-L172 PolarHBondContact OG-N 3.32Å; S170-L172 VanDerWaalsContact OG-N 3.15Å; S170-D173 PolarHBondContact O-N 3.2Å; S170-I174 WeakPolarHBondContact CB-O 3.35Å; S170-I174 PolarHBondContact N-O 2.84Å; S170-I174 WeakPolarHBondContact OG-CB 3.33Å; S170-I174 PolarHBondContact OG-N 2.91Å; S170-I174 PolarHBondContact OG-O 2.68Å
171	K	77.6	Confident	87.1	Confident	219 Å²	219	76.1 Å²	76.1	95%	0.952	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-2.9	171.2	-64.8	-165.9	175.9	-166.2	0	114.3
172	L	80.1	Confident	87.5	Confident	143 Å²	143	73 Å²	73	75%	0.749	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.9	21.2	175.8	-59.6	174.2	0	0	0	110.8	S170 I174	S170-L172 PolarHBondContact O-N 2.87Å; S170-L172 VanDerWaalsContact O-N 3.07Å; S170-L172 PolarHBondContact OG-N 3.32Å; S170-L172 VanDerWaalsContact OG-N 3.15Å; L172-I174 HydrophobicContact CB-CD1 4.21Å; L172-I174 HydrophobicContact CB-CG1 4.19Å; L172-I174 PolarHBondContact O-N 3.37Å
173	D	82	Confident	88	Confident	103 Å²	103	69.6 Å²	69.6	55%	0.551	36%	0.361	S	S	*	.	S	Bend	trans	56.9	-6.9	-173.2	-145	61.4	0	0	0	117	K169 S170 E175	K169-D173 WeakPolarHBondContact CD-O 3.4Å; K169-D173 WeakPolarHBondContact CD-OD1 3.3Å; K169-D173 IonicContact NZ-OD1 2.69Å; K169-D173 IonicContact NZ-OD2 2.73Å; K169-D173 PolarHBondContact NZ-OD2 3.12Å; S170-D173 PolarHBondContact O-N 3.2Å; D173-E175 PolarHBondContact O-N 3.07Å; D173-E175 VanDerWaalsContact O-N 3.13Å
174	I	86.1	Confident	88.1	Confident	95 Å²	95	66.5 Å²	66.5	49%	0.487	35%	0.349	S	S	.	.			trans	-52	120.2	172.2	-51.5	171.4	0	0	0	109.4	P123 S170 L172	P123-I174 HydrophobicContact CG-CG2 4.39Å; S170-I174 WeakPolarHBondContact CB-O 3.35Å; S170-I174 PolarHBondContact N-O 2.84Å; S170-I174 WeakPolarHBondContact OG-CB 3.33Å; S170-I174 PolarHBondContact OG-N 2.91Å; S170-I174 PolarHBondContact OG-O 2.68Å; L172-I174 HydrophobicContact CB-CD1 4.21Å; L172-I174 HydrophobicContact CB-CG1 4.19Å; L172-I174 PolarHBondContact O-N 3.37Å
175	E	89.6	Confident	88.2	Confident	135 Å²	135	69.8 Å²	69.8	63%	0.631	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	137.2	171.3	-76.5	176.9	-166.9	0	0	110.6	P123 K169 D173	P123-E175 WeakPolarHBondContact CD-O 3.14Å; K169-E175 HydrophobicContact CD-CG 4.2Å; K169-E175 WeakPolarHBondContact CE-OE1 3.12Å; K169-E175 HydrophobicContact CG-CG 3.76Å; K169-E175 IonicContact NZ-OE1 3.79Å; D173-E175 PolarHBondContact O-N 3.07Å; D173-E175 VanDerWaalsContact O-N 3.13Å
176	Y	90.6	Very high	88.1	Confident	18 Å²	18	66.3 Å²	66.3	7%	0.071	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	150.9	171.8	58.8	-99.1	0	0	0	110.8	E122 V134 N137 H138 S167 G168 K169 I178	E122-Y176 CarbonylContact O-C 3.55Å; E122-Y176 VanDerWaalsContact O-CA 3.24Å; E122-Y176 WeakPolarHBondContact O-CA 3.42Å; V134-Y176 HydrophobicContact CG1-CD1 4.12Å; V134-Y176 HydrophobicContact CG1-CD2 3.55Å; V134-Y176 HydrophobicContact CG1-CE1 4.04Å; V134-Y176 HydrophobicContact CG1-CE2 3.49Å; V134-Y176 VanDerWaalsContact CG1-CE2 3.49Å; V134-Y176 HydrophobicContact CG1-CG 3.89Å; N137-Y176 PolarHBondContact ND2-OH 3.3Å; N137-Y176 VanDerWaalsContact ND2-OH 3.07Å; H138-Y176 AromaticContact NE2-CE2 3.5Å; S167-Y176 WeakPolarHBondContact CA-O 3.28Å; G168-Y176 PolarHBondContact N-O 3.33Å; G168-Y176 VanDerWaalsContact O-CD1 3.31Å; G168-Y176 WeakPolarHBondContact O-CD1 3.32Å; G168-Y176 WeakPolarHBondContact O-CE1 3.48Å; G168-Y176 PolarHBondContact O-N 2.8Å; K169-Y176 WeakPolarHBondContact O-CE1 3.39Å; Y176-I178 HydrophobicContact CD2-CD1 4.29Å; Y176-I178 HydrophobicContact CD2-CG1 3.92Å; Y176-I178 HydrophobicContact CE2-CD1 4.12Å; Y176-I178 HydrophobicContact CE2-CG1 4.24Å
177	K	91.7	Very high	87.8	Confident	85 Å²	85	68.4 Å²	68.4	37%	0.37	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	122.1	175.3	172.2	169.1	156.4	-108.9	0	108.3	E122 V165 L166	E122-K177 HydrophobicContact CB-CB 4.28Å; E122-K177 PolarHBondContact N-O 3.48Å; E122-K177 PolarHBondContact O-N 2.7Å; E122-K177 IonicContact OE1-NZ 3.06Å; E122-K177 PolarHBondContact OE1-NZ 2.9Å; E122-K177 WeakPolarHBondContact OE2-CD 3.2Å; E122-K177 WeakPolarHBondContact OE2-CE 3.43Å; E122-K177 IonicContact OE2-NZ 2.64Å; E122-K177 PolarHBondContact OE2-NZ 2.85Å; V165-K177 HydrophobicContact CG1-CD 4.01Å; V165-K177 HydrophobicContact CG1-CG 3.74Å; L166-K177 CarbonylContact O-C 3.58Å; L166-K177 WeakPolarHBondContact O-CA 3.17Å
178	I	93.2	Very high	87.1	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	128.7	179	-43.7	180	0	0	0	107.6	V119 E120 F121 V134 L135 V165 L166 Y176 I180	V119-I178 HydrophobicContact CG1-CG2 3.38Å; E120-I178 WeakPolarHBondContact O-CA 3.34Å; F121-I178 HydrophobicContact CD1-CG1 4.1Å; F121-I178 HydrophobicContact CD1-CG2 4.31Å; F121-I178 HydrophobicContact CE1-CD1 4.13Å; F121-I178 HydrophobicContact CE1-CG1 4.1Å; F121-I178 HydrophobicContact CE1-CG2 4.03Å; F121-I178 HydrophobicContact CZ-CG2 4.29Å; V134-I178 HydrophobicContact CG1-CD1 3.98Å; V134-I178 HydrophobicContact CG1-CG1 4.41Å; L135-I178 HydrophobicContact CD1-CD1 3.95Å; L135-I178 HydrophobicContact CD1-CG2 4.07Å; V165-I178 WeakPolarHBondContact CA-O 3.45Å; L166-I178 HydrophobicContact CB-CB 4.23Å; L166-I178 HydrophobicContact CB-CD1 4.5Å; L166-I178 HydrophobicContact CB-CG1 4.5Å; L166-I178 PolarHBondContact N-O 2.84Å; L166-I178 PolarHBondContact O-N 3.44Å; Y176-I178 HydrophobicContact CD2-CD1 4.29Å; Y176-I178 HydrophobicContact CD2-CG1 3.92Å; Y176-I178 HydrophobicContact CE2-CD1 4.12Å; Y176-I178 HydrophobicContact CE2-CG1 4.24Å; I178-I180 HydrophobicContact CG2-CG1 4.04Å
179	S	92.6	Very high	86.4	Confident	14 Å²	14	70 Å²	70	10%	0.098	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	108.6	175.7	-173.2	0	0	0	0	109.3	V119 E120 I163	V119-S179 WeakPolarHBondContact CA-O 3.27Å; E120-S179 PolarHBondContact N-O 3.33Å; E120-S179 PolarHBondContact O-N 3.22Å; I163-S179 WeakPolarHBondContact CG2-OG 3.37Å
180	I	93.6	Very high	86.2	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	100	-178.8	-57.1	177.8	0	0	0	108.3	Y117 H118 V119 L135 L142 L153 F159 I163 T164 L166 I178	Y117-I180 HydrophobicContact CD1-CG2 3.65Å; Y117-I180 HydrophobicContact CE1-CG2 4.47Å; Y117-I180 HydrophobicContact CG-CG2 3.86Å; H118-I180 CarbonylContact O-C 3.6Å; H118-I180 WeakPolarHBondContact O-CA 3.4Å; V119-I180 HydrophobicContact CG1-CG1 4.25Å; V119-I180 HydrophobicContact CG2-CG1 4.42Å; L135-I180 HydrophobicContact CD1-CD1 4.11Å; L142-I180 HydrophobicContact CD2-CD1 3.98Å; L153-I180 HydrophobicContact CD2-CD1 4.39Å; L153-I180 HydrophobicContact CD2-CG2 3.91Å; F159-I180 HydrophobicContact CD2-CG2 4.37Å; F159-I180 HydrophobicContact CE2-CG2 4.07Å; I163-I180 WeakPolarHBondContact CA-O 3.35Å; T164-I180 PolarHBondContact N-O 3.13Å; T164-I180 WeakPolarHBondContact O-CB 3.08Å; T164-I180 PolarHBondContact O-N 2.71Å; L166-I180 HydrophobicContact CD1-CD1 3.62Å; L166-I180 HydrophobicContact CG-CD1 4.35Å; I178-I180 HydrophobicContact CG2-CG1 4.04Å
181	K	93.2	Very high	86	Confident	66 Å²	66	68.2 Å²	68.2	29%	0.287	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	130.1	-176.7	-55.2	-179.9	-177.1	167.7	0	110.6	Y117 H118 E120 E162 I163	Y117-K181 CarbonylContact C-O 3.52Å; Y117-K181 VanDerWaalsContact CA-O 3.26Å; Y117-K181 WeakPolarHBondContact CA-O 3.18Å; Y117-K181 WeakPolarHBondContact CD1-O 3.17Å; H118-K181 HydrophobicContact CB-CB 4.47Å; H118-K181 PolarHBondContact N-O 3.4Å; H118-K181 PolarHBondContact O-N 3.02Å; E120-K181 WeakPolarHBondContact OE1-CE 3.43Å; E120-K181 IonicContact OE1-NZ 2.67Å; E120-K181 PolarHBondContact OE1-NZ 3.34Å; E120-K181 WeakPolarHBondContact OE2-CE 3.42Å; E120-K181 IonicContact OE2-NZ 3.61Å; E120-K181 PolarHBondContact OE2-NZ 2.79Å; E162-K181 CarbonylContact O-C 3.56Å; E162-K181 WeakPolarHBondContact O-CA 3.35Å; I163-K181 HydrophobicContact CD1-CD 4.48Å; I163-K181 HydrophobicContact CD1-CG 4.25Å; I163-K181 HydrophobicContact CG1-CG 4.08Å; I163-K181 HydrophobicContact CG2-CG 4.2Å
182	F	93.4	Very high	86.3	Confident	59 Å²	59	63.5 Å²	63.5	26%	0.259	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	135.6	175	178.8	-100.5	0	0	0	110.7	V115 Y117 K158 E162 F185	V115-F182 HydrophobicContact CG1-CD2 3.96Å; V115-F182 HydrophobicContact CG1-CE2 3.62Å; Y117-F182 VanDerWaalsContact CD1-CA 3.5Å; Y117-F182 HydrophobicContact CD1-CB 4.16Å; Y117-F182 HydrophobicContact CE1-CB 3.77Å; Y117-F182 AromaticContact CE1-CD2 3.78Å; Y117-F182 HydrophobicContact CE1-CD2 3.78Å; Y117-F182 HydrophobicContact CE1-CG 4.28Å; Y117-F182 AromaticContact CZ-CD2 3.87Å; K158-F182 HydrophobicContact CG-CE2 4.48Å; E162-F182 HydrophobicContact CG-CB 4.33Å; E162-F182 WeakPolarHBondContact O-CB 3.38Å; E162-F182 PolarHBondContact O-N 3.13Å; F182-F185 HydrophobicContact CZ-CD2 4.38Å; F182-F185 HydrophobicContact CZ-CE2 4.16Å
183	V	91.8	Very high	86.6	Confident	76 Å²	76	56.8 Å²	56.8	46%	0.461	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	-37.3	176.5	-176.4	0	0	0	0	111.1	H116 H118	H116-V183 WeakPolarHBondContact O-CB 3.23Å; H116-V183 PolarHBondContact O-N 2.9Å; H118-V183 HydrophobicContact CB-CG2 3.89Å
184	G	91.1	Very high	86.6	Confident	17 Å²	17	52.6 Å²	52.6	18%	0.175	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.2	-168.3	177	0	0	0	0	0	114.5	H116	H116-G184 PolarHBondContact N-O 3.23Å; H116-G184 PolarHBondContact O-N 3.09Å
185	F	90.2	Very high	86.4	Confident	82 Å²	82	50.8 Å²	50.8	36%	0.36	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	140.5	166.1	-60.2	-82.1	0	0	0	109.4	R113 I114 V115 K158 F182	R113-F185 HydrophobicContact CB-CD1 4.04Å; R113-F185 VanDerWaalsContact NH2-CD2 3.29Å; R113-F185 VanDerWaalsContact NH2-CE2 3.26Å; I114-F185 WeakPolarHBondContact O-CA 3.24Å; V115-F185 HydrophobicContact CG2-CD1 4.15Å; V115-F185 HydrophobicContact CG2-CE1 4.1Å; K158-F185 HydrophobicContact CD-CZ 4.31Å; F182-F185 HydrophobicContact CZ-CD2 4.38Å; F182-F185 HydrophobicContact CZ-CE2 4.16Å
186	I	88	Confident	86.4	Confident	5 Å²	5	44.5 Å²	44.5	3%	0.026	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	121.5	172.2	-47	-176.9	0	0	0	109	I114 H116 F154 E190 R192 F193 V196	I114-I186 HydrophobicContact CB-CB 4.32Å; I114-I186 HydrophobicContact CB-CD1 4.28Å; I114-I186 HydrophobicContact CB-CG1 4.36Å; I114-I186 HydrophobicContact CG2-CD1 3.78Å; I114-I186 HydrophobicContact CG2-CG1 4.26Å; I114-I186 PolarHBondContact O-N 2.81Å; H116-I186 HydrophobicContact CB-CD1 4.45Å; H116-I186 HydrophobicContact CB-CG1 4.1Å; F154-I186 HydrophobicContact CD1-CD1 3.67Å; F154-I186 HydrophobicContact CE1-CD1 3.74Å; I186-E190 WeakPolarHBondContact CA-OE1 3.43Å; I186-E190 HydrophobicContact CG2-CB 3.85Å; I186-E190 HydrophobicContact CG2-CG 4.49Å; I186-R192 HydrophobicContact CD1-CB 4.33Å; I186-R192 HydrophobicContact CG2-CB 3.94Å; I186-F193 HydrophobicContact CG2-CB 3.84Å; I186-V196 HydrophobicContact CD1-CG2 4.14Å
187	S	81.4	Confident	86.3	Confident	64 Å²	64	43.6 Å²	43.6	45%	0.448	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-69.5	146.8	173.1	178.1	0	0	0	0	111.5	A189 E190 F193	S187-A189 PolarHBondContact O-N 3.43Å; S187-A189 VanDerWaalsContact O-N 3.12Å; S187-A189 PolarHBondContact OG-N 2.9Å; S187-E190 PolarHBondContact N-OE1 2.75Å; S187-E190 WeakPolarHBondContact O-CB 3.38Å; S187-E190 PolarHBondContact O-N 3.18Å; S187-F193 WeakPolarHBondContact O-CB 3.35Å
188	C	74.1	Confident	86.1	Confident	64 Å²	64	40.9 Å²	40.9	43%	0.432	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-19.8	174.2	-62.8	0	0	0	0	113	F193	C188-F193 HydrophobicContact CB-CD1 4.41Å; C188-F193 HydrophobicContact CB-CE1 4.12Å; C188-F193 HydrophobicContact CB-CZ 4.17Å; C188-F193 WeakPolarHBondContact SG-CZ 3.31Å
189	A	70.8	Confident	85.7	Confident	87 Å²	87	44.7 Å²	44.7	72%	0.719	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-12.3	173.9	0	0	0	0	0	113.6	S187	S187-A189 PolarHBondContact O-N 3.43Å; S187-A189 VanDerWaalsContact O-N 3.12Å; S187-A189 PolarHBondContact OG-N 2.9Å
190	E	78.7	Confident	85.5	Confident	54 Å²	54	44.1 Å²	44.1	25%	0.252	24%	0.244	S	C	.	.	S	Bend	trans	-76.8	142	179.9	-84.1	177	-102	0	0	112.4	I186 S187 R192 F193	I186-E190 WeakPolarHBondContact CA-OE1 3.43Å; I186-E190 HydrophobicContact CG2-CB 3.85Å; I186-E190 HydrophobicContact CG2-CG 4.49Å; S187-E190 PolarHBondContact N-OE1 2.75Å; S187-E190 WeakPolarHBondContact O-CB 3.38Å; S187-E190 PolarHBondContact O-N 3.18Å; E190-R192 HydrophobicContact CB-CB 4.48Å; E190-R192 PolarHBondContact O-N 3.47Å; E190-R192 VanDerWaalsContact O-N 3.13Å; E190-R192 IonicContact OE2-NH1 3.13Å; E190-F193 VanDerWaalsContact O-CB 3.3Å; E190-F193 WeakPolarHBondContact O-CB 3.38Å; E190-F193 PolarHBondContact O-N 3.11Å; E190-F193 VanDerWaalsContact O-N 3.1Å
191	P	77.4	Confident	85.2	Confident	47 Å²	47	44.5 Å²	44.5	31%	0.305	25%	0.246	S	C	.	.	H	α-helix	trans	-59.8	-27.6	173.4	-13	21.6	0	0	0	113.6	Y76 Y78 F193 L194 Q195	Y76-P191 VanDerWaalsContact O-CB 3.27Å; Y76-P191 WeakPolarHBondContact O-CB 3.17Å; Y76-P191 WeakPolarHBondContact O-CG 3.43Å; Y78-P191 HydrophobicContact CD2-CB 4.03Å; Y78-P191 HydrophobicContact CD2-CG 4.11Å; Y78-P191 HydrophobicContact CE2-CB 4.07Å; P191-F193 VanDerWaalsContact C-N 3.32Å; P191-F193 PolarHBondContact O-N 2.93Å; P191-L194 PolarHBondContact O-N 3.1Å; P191-Q195 PolarHBondContact O-N 3.12Å; P191-Q195 VanDerWaalsContact O-N 3.12Å
192	R	83.1	Confident	84.8	Confident	120 Å²	120	47.4 Å²	47.4	45%	0.453	26%	0.255	S	S	.	.	H	α-helix	trans	-63.6	-34.3	177.6	-63.4	178.7	-177.4	166	-2.7	112.6	I186 E190 L194 Q195 V196	I186-R192 HydrophobicContact CD1-CB 4.33Å; I186-R192 HydrophobicContact CG2-CB 3.94Å; E190-R192 HydrophobicContact CB-CB 4.48Å; E190-R192 PolarHBondContact O-N 3.47Å; E190-R192 VanDerWaalsContact O-N 3.13Å; E190-R192 IonicContact OE2-NH1 3.13Å; R192-L194 VanDerWaalsContact C-N 3.31Å; R192-L194 PolarHBondContact O-N 3.21Å; R192-Q195 WeakPolarHBondContact O-CB 3.47Å; R192-Q195 PolarHBondContact O-N 3.42Å; R192-V196 WeakPolarHBondContact O-CG2 3.47Å; R192-V196 PolarHBondContact O-N 2.8Å
193	F	85.9	Confident	84.4	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.009	26%	0.26	C	S	.	.	H	α-helix	trans	-58.9	-46.3	177.2	-174.4	-104.2	0	0	0	110.7	W112 I114 I186 S187 C188 E190 P191 V196 L197 Q243 I248	W112-F193 AromaticContact CZ3-CE2 3.71Å; W112-F193 HydrophobicContact CZ3-CE2 3.71Å; W112-F193 AromaticContact CZ3-CZ 3.8Å; W112-F193 HydrophobicContact CZ3-CZ 3.8Å; I114-F193 HydrophobicContact CD1-CD2 3.58Å; I114-F193 HydrophobicContact CD1-CE2 3.76Å; I114-F193 HydrophobicContact CD1-CG 4.46Å; I114-F193 HydrophobicContact CG1-CD2 4.26Å; I114-F193 HydrophobicContact CG1-CE2 4.17Å; I186-F193 HydrophobicContact CG2-CB 3.84Å; S187-F193 WeakPolarHBondContact O-CB 3.35Å; C188-F193 HydrophobicContact CB-CD1 4.41Å; C188-F193 HydrophobicContact CB-CE1 4.12Å; C188-F193 HydrophobicContact CB-CZ 4.17Å; C188-F193 WeakPolarHBondContact SG-CZ 3.31Å; E190-F193 VanDerWaalsContact O-CB 3.3Å; E190-F193 WeakPolarHBondContact O-CB 3.38Å; E190-F193 PolarHBondContact O-N 3.11Å; E190-F193 VanDerWaalsContact O-N 3.1Å; P191-F193 VanDerWaalsContact C-N 3.32Å; P191-F193 PolarHBondContact O-N 2.93Å; F193-V196 PolarHBondContact O-N 3.48Å; F193-L197 HydrophobicContact CD1-CD1 3.78Å; F193-L197 HydrophobicContact CE1-CD1 3.51Å; F193-L197 HydrophobicContact CE1-CG 4.45Å; F193-L197 HydrophobicContact CZ-CD1 4.13Å; F193-L197 WeakPolarHBondContact O-CG 3.27Å; F193-L197 PolarHBondContact O-N 3.13Å; F193-Q243 HydrophobicContact CE1-CB 4.34Å; F193-I248 HydrophobicContact CE1-CD1 4.39Å; F193-I248 HydrophobicContact CZ-CD1 4.04Å
194	L	82.3	Confident	84.3	Confident	15 Å²	15	45.7 Å²	45.7	8%	0.079	24%	0.238	C	C	.	.	H	α-helix	trans	-72.5	-31.2	179	-64	173.1	0	0	0	112.3	Y78 P191 R192 L197 N198 R242	Y78-L194 HydrophobicContact CE1-CD1 4.29Å; Y78-L194 HydrophobicContact CE2-CD1 3.77Å; Y78-L194 VanDerWaalsContact CZ-CD1 3.49Å; Y78-L194 WeakPolarHBondContact OH-CD1 3.35Å; P191-L194 PolarHBondContact O-N 3.1Å; R192-L194 VanDerWaalsContact C-N 3.31Å; R192-L194 PolarHBondContact O-N 3.21Å; L194-L197 HydrophobicContact CD2-CD1 4.33Å; L194-N198 WeakPolarHBondContact O-CB 3.19Å; L194-N198 PolarHBondContact O-N 3.47Å; L194-N198 PolarHBondContact O-ND2 2.68Å; L194-R242 HydrophobicContact CD2-CB 4.3Å; L194-R242 HydrophobicContact CD2-CG 4.41Å
195	Q	82.9	Confident	84.2	Confident	57 Å²	57	45.1 Å²	45.1	27%	0.266	23%	0.231	S	C	.	.	H	α-helix	trans	-61.1	-49.7	168.5	-72.4	171.5	-19.7	0	0	111.3	D74 Y76 P191 R192 N198 L199	D74-Q195 PolarHBondContact O-NE2 3.35Å; Y76-Q195 HydrophobicContact CD2-CG 3.54Å; Y76-Q195 HydrophobicContact CE2-CG 3.55Å; P191-Q195 PolarHBondContact O-N 3.12Å; P191-Q195 VanDerWaalsContact O-N 3.12Å; R192-Q195 WeakPolarHBondContact O-CB 3.47Å; R192-Q195 PolarHBondContact O-N 3.42Å; Q195-N198 PolarHBondContact O-N 2.93Å; Q195-L199 WeakPolarHBondContact O-CG 3.48Å; Q195-L199 PolarHBondContact O-N 3.48Å
196	V	88.4	Confident	84	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.012	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-48.2	179	170.5	0	0	0	0	111.4	I114 L147 F154 I186 R192 F193 N198 L199 I200 W422	I114-V196 HydrophobicContact CD1-CB 4.15Å; I114-V196 HydrophobicContact CD1-CG1 3.75Å; I114-V196 HydrophobicContact CG2-CG1 4.26Å; L147-V196 HydrophobicContact CD1-CG1 4.11Å; F154-V196 HydrophobicContact CB-CG2 4.27Å; F154-V196 HydrophobicContact CD1-CG2 4.12Å; F154-V196 HydrophobicContact CD2-CG2 3.86Å; F154-V196 HydrophobicContact CE1-CG2 4.42Å; F154-V196 HydrophobicContact CE2-CG2 4.2Å; F154-V196 HydrophobicContact CG-CG2 3.81Å; F154-V196 HydrophobicContact CZ-CG2 4.46Å; I186-V196 HydrophobicContact CD1-CG2 4.14Å; R192-V196 WeakPolarHBondContact O-CG2 3.47Å; R192-V196 PolarHBondContact O-N 2.8Å; F193-V196 PolarHBondContact O-N 3.48Å; V196-N198 VanDerWaalsContact C-N 3.32Å; V196-N198 PolarHBondContact O-N 3.03Å; V196-L199 WeakPolarHBondContact O-CB 3.37Å; V196-L199 PolarHBondContact O-N 2.94Å; V196-I200 HydrophobicContact CG1-CD1 3.77Å; V196-I200 HydrophobicContact CG1-CG1 4.32Å; V196-I200 WeakPolarHBondContact O-CG1 2.95Å; V196-I200 PolarHBondContact O-N 3.39Å; V196-W422 HydrophobicContact CG1-CH2 4.12Å; V196-W422 HydrophobicContact CG1-CZ3 4.19Å
197	L	88.8	Confident	83.9	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-57.5	-41.7	176.2	-74.6	177.8	0	0	0	112.6	W112 F193 L194 L199 I200 L201 I241 I248 M424	W112-L197 HydrophobicContact CH2-CD2 3.86Å; F193-L197 HydrophobicContact CD1-CD1 3.78Å; F193-L197 HydrophobicContact CE1-CD1 3.51Å; F193-L197 HydrophobicContact CE1-CG 4.45Å; F193-L197 HydrophobicContact CZ-CD1 4.13Å; F193-L197 WeakPolarHBondContact O-CG 3.27Å; F193-L197 PolarHBondContact O-N 3.13Å; L194-L197 HydrophobicContact CD2-CD1 4.33Å; L197-L199 VanDerWaalsContact C-N 3.32Å; L197-L199 PolarHBondContact O-N 3.33Å; L197-I200 HydrophobicContact CD2-CD1 4.45Å; L197-I200 PolarHBondContact O-N 3.02Å; L197-L201 WeakPolarHBondContact O-CB 3.49Å; L197-L201 PolarHBondContact O-N 3.11Å; L197-I241 HydrophobicContact CB-CD1 4.03Å; L197-I241 HydrophobicContact CB-CG1 4.18Å; L197-I241 HydrophobicContact CB-CG2 4.07Å; L197-I241 HydrophobicContact CD1-CG1 4.44Å; L197-I241 HydrophobicContact CD2-CD1 4.06Å; L197-I241 HydrophobicContact CG-CD1 4.45Å; L197-I248 HydrophobicContact CD1-CD1 4.17Å; L197-I248 HydrophobicContact CD1-CG1 4.36Å; L197-I248 HydrophobicContact CD1-CG2 3.98Å; L197-I248 HydrophobicContact CD2-CD1 4.28Å; L197-I248 HydrophobicContact CD2-CG2 4.49Å; L197-M424 HydrophobicContact CD2-CE 3.72Å; L197-M424 HydrophobicContact CD2-SD 4.25Å
198	N	86.5	Confident	84.2	Confident	28 Å²	28	47 Å²	47	15%	0.15	24%	0.238	C	C	.	.	H	α-helix	trans	-68.4	-29.5	176.2	-83.2	-89.2	0	0	0	112.7	L194 Q195 V196 R202 I241	L194-N198 WeakPolarHBondContact O-CB 3.19Å; L194-N198 PolarHBondContact O-N 3.47Å; L194-N198 PolarHBondContact O-ND2 2.68Å; Q195-N198 PolarHBondContact O-N 2.93Å; V196-N198 VanDerWaalsContact C-N 3.32Å; V196-N198 PolarHBondContact O-N 3.03Å; N198-R202 VanDerWaalsContact O-CB 3.3Å; N198-R202 WeakPolarHBondContact O-CB 3.46Å; N198-R202 WeakPolarHBondContact O-CD 3.23Å; N198-R202 WeakPolarHBondContact O-CG 3.44Å; N198-R202 PolarHBondContact O-N 2.85Å; N198-I241 HydrophobicContact CB-CG2 4.39Å; N198-I241 PolarHBondContact ND2-O 2.81Å
199	L	84.9	Confident	84.9	Confident	79 Å²	79	48.2 Å²	48.2	41%	0.414	24%	0.24	S	C	.	.	H	α-helix	trans	-73.6	-40.5	173.4	-72.2	170.7	0	0	0	112.4	L147 Q195 V196 L197 R202 R203	L147-L199 HydrophobicContact CD1-CB 3.46Å; L147-L199 VanDerWaalsContact CD1-CB 3.46Å; L147-L199 HydrophobicContact CD1-CD1 4.09Å; L147-L199 HydrophobicContact CD1-CG 4.43Å; L147-L199 HydrophobicContact CD2-CB 4.37Å; Q195-L199 WeakPolarHBondContact O-CG 3.48Å; Q195-L199 PolarHBondContact O-N 3.48Å; V196-L199 WeakPolarHBondContact O-CB 3.37Å; V196-L199 PolarHBondContact O-N 2.94Å; L197-L199 VanDerWaalsContact C-N 3.32Å; L197-L199 PolarHBondContact O-N 3.33Å; L199-R202 PolarHBondContact O-N 3.45Å; L199-R203 WeakPolarHBondContact O-CB 3.31Å; L199-R203 PolarHBondContact O-N 2.87Å
200	I	88.8	Confident	85.7	Confident	3 Å²	3	44.9 Å²	44.9	2%	0.015	21%	0.21	C	C	.	.	H	α-helix	trans	-59.7	-50.1	172.6	-63.6	162.7	0	0	0	109.6	L147 V196 L197 R202 R203 S204 V418 L419 W422 M424	L147-I200 HydrophobicContact CD1-CG1 4.2Å; V196-I200 HydrophobicContact CG1-CD1 3.77Å; V196-I200 HydrophobicContact CG1-CG1 4.32Å; V196-I200 WeakPolarHBondContact O-CG1 2.95Å; V196-I200 PolarHBondContact O-N 3.39Å; L197-I200 HydrophobicContact CD2-CD1 4.45Å; L197-I200 PolarHBondContact O-N 3.02Å; I200-R202 PolarHBondContact O-N 2.83Å; I200-R203 WeakPolarHBondContact O-CB 3.29Å; I200-R203 PolarHBondContact O-N 2.89Å; I200-S204 PolarHBondContact O-N 3.18Å; I200-V418 HydrophobicContact CG2-CG1 4.48Å; I200-L419 HydrophobicContact CG2-CD2 4.34Å; I200-W422 HydrophobicContact CD1-CD2 3.44Å; I200-W422 VanDerWaalsContact CD1-CD2 3.44Å; I200-W422 HydrophobicContact CD1-CE3 3.4Å; I200-W422 HydrophobicContact CD1-CG 3.98Å; I200-W422 HydrophobicContact CD1-CH2 4.2Å; I200-W422 HydrophobicContact CD1-CZ2 4.24Å; I200-W422 HydrophobicContact CD1-CZ3 3.8Å; I200-W422 HydrophobicContact CG1-CD2 3.81Å; I200-W422 HydrophobicContact CG1-CE3 4.23Å; I200-W422 HydrophobicContact CG1-CG 4.15Å; I200-W422 HydrophobicContact CG1-CZ2 4.17Å; I200-W422 HydrophobicContact CG2-CG 4.2Å; I200-M424 HydrophobicContact CG2-SD 4.49Å
201	L	87.6	Confident	85.9	Confident	7 Å²	7	45.3 Å²	45.3	4%	0.037	21%	0.212	C	C	.	.	H	α-helix	trans	-58.4	-48.9	177.5	-171.2	75.6	0	0	0	111.4	L197 R203 S204 M205 I241 L250	L197-L201 WeakPolarHBondContact O-CB 3.49Å; L197-L201 PolarHBondContact O-N 3.11Å; L201-R203 PolarHBondContact O-N 3.33Å; L201-S204 PolarHBondContact O-N 2.74Å; L201-M205 HydrophobicContact CD1-CE 3.59Å; L201-M205 HydrophobicContact CD2-CE 4.45Å; L201-M205 HydrophobicContact CG-CE 4Å; L201-M205 HydrophobicContact CG-CG 4.21Å; L201-M205 WeakPolarHBondContact O-CB 3.44Å; L201-M205 WeakPolarHBondContact O-CG 3.37Å; L201-M205 PolarHBondContact O-N 2.9Å; L201-I241 HydrophobicContact CB-CG2 4Å; L201-I241 HydrophobicContact CD2-CB 4.05Å; L201-I241 HydrophobicContact CD2-CG2 3.81Å; L201-I241 HydrophobicContact CG-CG2 4.45Å; L201-L250 HydrophobicContact CD1-CD1 3.68Å; L201-L250 HydrophobicContact CD1-CD2 3.75Å; L201-L250 HydrophobicContact CD1-CG 4.32Å; L201-L250 HydrophobicContact CD2-CD1 3.66Å; L201-L250 HydrophobicContact CG-CD1 4.34Å
202	R	84.6	Confident	86.1	Confident	128 Å²	128	47.5 Å²	47.5	48%	0.483	22%	0.221	S	C	.	.	H	α-helix	trans	-61.1	-28.6	176.1	-76.4	171.4	-177.2	-178.2	4.5	113	N198 L199 I200 K206	N198-R202 VanDerWaalsContact O-CB 3.3Å; N198-R202 WeakPolarHBondContact O-CB 3.46Å; N198-R202 WeakPolarHBondContact O-CD 3.23Å; N198-R202 WeakPolarHBondContact O-CG 3.44Å; N198-R202 PolarHBondContact O-N 2.85Å; L199-R202 PolarHBondContact O-N 3.45Å; I200-R202 PolarHBondContact O-N 2.83Å; R202-K206 WeakPolarHBondContact O-CG 3.32Å
203	R	86.1	Confident	85.7	Confident	99 Å²	99	42 Å²	42	37%	0.374	20%	0.201	S	C	.	.	H	α-helix	trans	-75.6	-41.7	174.7	-173.5	-179	174.5	167.7	-4.4	111.3	Y146 L199 I200 L201 K206 V418	Y146-R203 PolarHBondContact O-NH1 3.39Å; L199-R203 WeakPolarHBondContact O-CB 3.31Å; L199-R203 PolarHBondContact O-N 2.87Å; I200-R203 WeakPolarHBondContact O-CB 3.29Å; I200-R203 PolarHBondContact O-N 2.89Å; L201-R203 PolarHBondContact O-N 3.33Å; R203-K206 PolarHBondContact O-N 2.93Å; R203-V418 HydrophobicContact CB-CG1 3.89Å; R203-V418 HydrophobicContact CG-CG1 3.8Å; R203-V418 HydrophobicContact CG-CG2 3.94Å
204	S	89.4	Confident	85.1	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64	-48.5	175.2	178.3	0	0	0	0	111.2	I200 L201 K206 G207 S415	I200-S204 PolarHBondContact O-N 3.18Å; L201-S204 PolarHBondContact O-N 2.74Å; S204-K206 PolarHBondContact O-N 3.31Å; S204-G207 PolarHBondContact O-N 2.69Å; S204-S415 WeakPolarHBondContact O-CB 3.36Å; S204-S415 PolarHBondContact O-OG 3.48Å; S204-S415 VanDerWaalsContact O-OG 3.05Å; S204-S415 PolarHBondContact OG-O 2.84Å
205	M	87.8	Confident	84.6	Confident	5 Å²	5	53.5 Å²	53.5	3%	0.025	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-19.8	-179.2	-68	-71.4	170.6	0	0	114.7	L201 G207 L208 L217 T239 L250 F405 L409	L201-M205 HydrophobicContact CD1-CE 3.59Å; L201-M205 HydrophobicContact CD2-CE 4.45Å; L201-M205 HydrophobicContact CG-CE 4Å; L201-M205 HydrophobicContact CG-CG 4.21Å; L201-M205 WeakPolarHBondContact O-CB 3.44Å; L201-M205 WeakPolarHBondContact O-CG 3.37Å; L201-M205 PolarHBondContact O-N 2.9Å; M205-G207 VanDerWaalsContact C-N 3.28Å; M205-G207 PolarHBondContact O-N 2.75Å; M205-L208 WeakPolarHBondContact O-CB 3.4Å; M205-L208 PolarHBondContact O-N 3.08Å; M205-L208 HydrophobicContact SD-CD1 3.88Å; M205-L217 HydrophobicContact CB-CD1 3.63Å; M205-L217 HydrophobicContact CG-CD1 3.65Å; M205-L217 HydrophobicContact SD-CD1 3.76Å; M205-T239 HydrophobicContact CE-CG2 4.05Å; M205-L250 HydrophobicContact CE-CD2 4.19Å; M205-F405 HydrophobicContact CE-CE1 4.39Å; M205-F405 HydrophobicContact CE-CZ 3.85Å; M205-F405 HydrophobicContact SD-CZ 3.89Å; M205-L409 HydrophobicContact CE-CD1 3.5Å; M205-L409 VanDerWaalsContact CE-CD1 3.5Å; M205-L409 HydrophobicContact SD-CD1 3.87Å
206	K	85.8	Confident	84.8	Confident	161 Å²	161	51.7 Å²	51.7	70%	0.7	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-31.1	173.2	-76.1	174.4	-177.8	-175.2	0	112.8	R202 R203 S204 L208 N209	R202-K206 WeakPolarHBondContact O-CG 3.32Å; R203-K206 PolarHBondContact O-N 2.93Å; S204-K206 PolarHBondContact O-N 3.31Å; K206-L208 PolarHBondContact O-N 2.95Å; K206-N209 PolarHBondContact O-N 2.94Å
207	G	86.4	Confident	84.7	Confident	23 Å²	23	52.4 Å²	52.4	24%	0.237	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-34.9	176.6	0	0	0	0	0	112.1	S204 M205 N209 T412 S415	S204-G207 PolarHBondContact O-N 2.69Å; M205-G207 VanDerWaalsContact C-N 3.28Å; M205-G207 PolarHBondContact O-N 2.75Å; G207-N209 PolarHBondContact O-N 2.81Å; G207-N209 VanDerWaalsContact O-N 3.09Å; G207-T412 WeakPolarHBondContact O-CG2 3.39Å; G207-S415 WeakPolarHBondContact CA-OG 3.46Å
208	L	87.6	Confident	84.8	Confident	6 Å²	6	52.7 Å²	52.7	3%	0.031	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-10.9	176.8	-62.6	-177.3	0	0	0	114.6	M205 K206 L210 F405 R408 L409 T412 S415	M205-L208 WeakPolarHBondContact O-CB 3.4Å; M205-L208 PolarHBondContact O-N 3.08Å; M205-L208 HydrophobicContact SD-CD1 3.88Å; K206-L208 PolarHBondContact O-N 2.95Å; L208-L210 VanDerWaalsContact C-N 3.35Å; L208-L210 HydrophobicContact CB-CD1 3.93Å; L208-L210 HydrophobicContact CB-CG 3.82Å; L208-L210 HydrophobicContact CD1-CD1 3.86Å; L208-L210 PolarHBondContact O-N 2.89Å; L208-F405 HydrophobicContact CD1-CE2 3.75Å; L208-F405 HydrophobicContact CD1-CZ 4.23Å; L208-R408 HydrophobicContact CD2-CG 3.84Å; L208-R408 PolarHBondContact O-NH2 2.77Å; L208-L409 HydrophobicContact CD1-CB 4.39Å; L208-L409 HydrophobicContact CD1-CD1 4.27Å; L208-L409 HydrophobicContact CD1-CG 4.28Å; L208-L409 HydrophobicContact CD2-CB 4.26Å; L208-T412 HydrophobicContact CD2-CG2 4.43Å; L208-T412 WeakPolarHBondContact CD2-OG1 3.11Å; L208-S415 PolarHBondContact N-OG 3Å
209	N	88.4	Confident	84.9	Confident	90 Å²	90	51.9 Å²	51.9	48%	0.481	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	47.6	-177.7	-152.8	-14.6	0	0	0	112.7	K206 G207 R221	K206-N209 PolarHBondContact O-N 2.94Å; G207-N209 PolarHBondContact O-N 2.81Å; G207-N209 VanDerWaalsContact O-N 3.09Å; N209-R221 PolarHBondContact ND2-NH2 2.87Å
210	L	88.2	Confident	84.8	Confident	17 Å²	17	49.8 Å²	49.8	9%	0.089	24%	0.243	C	C	.	.			trans	-100.9	145	177.8	-63.4	176.3	0	0	0	111.4	L208 L217 D219 Y237	L208-L210 VanDerWaalsContact C-N 3.35Å; L208-L210 HydrophobicContact CB-CD1 3.93Å; L208-L210 HydrophobicContact CB-CG 3.82Å; L208-L210 HydrophobicContact CD1-CD1 3.86Å; L208-L210 PolarHBondContact O-N 2.89Å; L210-L217 HydrophobicContact CB-CB 4.06Å; L210-L217 HydrophobicContact CB-CD2 4.41Å; L210-L217 HydrophobicContact CD1-CB 4.02Å; L210-D219 HydrophobicContact CD2-CB 3.58Å; L210-Y237 HydrophobicContact CD1-CD2 4.17Å
211	E	83.8	Confident	84.5	Confident	63 Å²	63	58.5 Å²	58.5	29%	0.294	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	128.2	-178.6	-70.1	-63.1	164.7	0	0	112.1	V213 L217 F218 P220 N297	E211-V213 HydrophobicContact CB-CG2 4.4Å; E211-V213 PolarHBondContact O-N 3.05Å; E211-L217 CarbonylContact O-C 3.51Å; E211-L217 WeakPolarHBondContact O-CA 3.16Å; E211-F218 PolarHBondContact N-O 2.97Å; E211-F218 PolarHBondContact O-N 3.3Å; E211-P220 HydrophobicContact CB-CG 4.1Å; E211-P220 HydrophobicContact CG-CG 3.52Å; E211-N297 HydrophobicContact CB-CB 4.29Å; E211-N297 HydrophobicContact CG-CB 4.26Å; E211-N297 WeakPolarHBondContact CG-ND2 3.46Å; E211-N297 PolarHBondContact OE1-ND2 2.83Å; E211-N297 WeakPolarHBondContact OE2-CB 3.3Å; E211-N297 PolarHBondContact OE2-ND2 2.77Å; E211-N297 VanDerWaalsContact OE2-ND2 3.11Å
212	L	80.3	Confident	84.4	Confident	93 Å²	93	60.5 Å²	60.5	49%	0.487	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	91.1	-179.9	-179.4	62.9	0	0	0	111.1	G214 L217	L212-G214 PolarHBondContact O-N 3.38Å; L212-L217 HydrophobicContact CB-CD2 4.22Å; L212-L217 HydrophobicContact CD1-CD2 4.04Å
213	V	75.8	Confident	84.5	Confident	5 Å²	5	58 Å²	58	3%	0.03	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	85.9	-179.5	-168.1	0	0	0	0	110.1	E211 R215 N216 F218 W234 K257 L292 T299	E211-V213 HydrophobicContact CB-CG2 4.4Å; E211-V213 PolarHBondContact O-N 3.05Å; V213-R215 PolarHBondContact O-N 3.29Å; V213-N216 PolarHBondContact N-O 3.26Å; V213-F218 HydrophobicContact CB-CD2 3.62Å; V213-F218 HydrophobicContact CB-CE2 3.9Å; V213-F218 HydrophobicContact CG2-CD2 3.8Å; V213-W234 HydrophobicContact CG2-CZ3 4.45Å; V213-K257 HydrophobicContact CG1-CD 4.21Å; V213-L292 HydrophobicContact CG1-CD1 3.87Å; V213-T299 HydrophobicContact CG1-CG2 3.61Å
214	G	73.7	Confident	84.7	Confident	54 Å²	54	55.8 Å²	55.8	56%	0.557	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	-96	-177.2	0	0	0	0	0	111.7	L212	L212-G214 PolarHBondContact O-N 3.38Å
215	R	71.9	Confident	84.6	Confident	203 Å²	203	59.4 Å²	59.4	77%	0.766	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	-11.7	175.9	-69.9	-176.2	175.7	175.7	-2.9	114.1	V213	V213-R215 PolarHBondContact O-N 3.29Å
216	N	85.6	Confident	84.6	Confident	20 Å²	20	59.7 Å²	59.7	11%	0.107	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	152.7	-170.4	-56.9	12	0	0	0	110	V213 F218 E238	V213-N216 PolarHBondContact N-O 3.26Å; N216-F218 HydrophobicContact CB-CD2 4.49Å; N216-F218 HydrophobicContact CB-CE2 3.62Å; N216-F218 HydrophobicContact CB-CZ 3.82Å; N216-F218 WeakPolarHBondContact O-CD2 3.36Å; N216-E238 WeakPolarHBondContact ND2-CB 3.48Å; N216-E238 PolarHBondContact ND2-OE2 2.91Å
217	L	87.7	Confident	84.6	Confident	17 Å²	17	61.5 Å²	61.5	9%	0.089	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	126.6	-176.6	-63.7	166.5	0	0	0	109.5	M205 L210 E211 L212 G236 Y237	M205-L217 HydrophobicContact CB-CD1 3.63Å; M205-L217 HydrophobicContact CG-CD1 3.65Å; M205-L217 HydrophobicContact SD-CD1 3.76Å; L210-L217 HydrophobicContact CB-CB 4.06Å; L210-L217 HydrophobicContact CB-CD2 4.41Å; L210-L217 HydrophobicContact CD1-CB 4.02Å; E211-L217 CarbonylContact O-C 3.51Å; E211-L217 WeakPolarHBondContact O-CA 3.16Å; L212-L217 HydrophobicContact CB-CD2 4.22Å; L212-L217 HydrophobicContact CD1-CD2 4.04Å; L217-G236 CarbonylContact O-C 3.59Å; L217-G236 WeakPolarHBondContact O-CA 3.49Å; L217-Y237 PolarHBondContact N-O 2.74Å; L217-Y237 PolarHBondContact O-N 2.97Å
218	F	89.2	Confident	84.5	Confident	5 Å²	5	68.1 Å²	68.1	2%	0.022	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	156	179.8	-63	-85.1	0	0	0	111.3	E211 V213 N216 P220 W234 P235 T255 K257	E211-F218 PolarHBondContact N-O 2.97Å; E211-F218 PolarHBondContact O-N 3.3Å; V213-F218 HydrophobicContact CB-CD2 3.62Å; V213-F218 HydrophobicContact CB-CE2 3.9Å; V213-F218 HydrophobicContact CG2-CD2 3.8Å; N216-F218 HydrophobicContact CB-CD2 4.49Å; N216-F218 HydrophobicContact CB-CE2 3.62Å; N216-F218 HydrophobicContact CB-CZ 3.82Å; N216-F218 WeakPolarHBondContact O-CD2 3.36Å; F218-P220 WeakPolarHBondContact O-CD 3.26Å; F218-W234 HydrophobicContact CB-CB 4.38Å; F218-W234 HydrophobicContact CB-CE3 4.36Å; F218-P235 WeakPolarHBondContact CA-O 3.44Å; F218-T255 HydrophobicContact CE1-CG2 4.02Å; F218-T255 HydrophobicContact CZ-CG2 3.97Å; F218-K257 HydrophobicContact CD1-CB 3.78Å; F218-K257 HydrophobicContact CE1-CB 3.65Å; F218-K257 HydrophobicContact CE2-CB 4.37Å; F218-K257 HydrophobicContact CE2-CD 4.3Å; F218-K257 HydrophobicContact CG-CB 4.24Å; F218-K257 HydrophobicContact CZ-CB 3.95Å; F218-K257 HydrophobicContact CZ-CD 4.24Å
219	D	88.6	Confident	84.4	Confident	11 Å²	11	70.1 Å²	70.1	6%	0.059	34%	0.336	C	S	.	.			trans	-110.9	100.3	176.1	-162.7	-43.8	0	0	0	109.6	L210 R221 A222 P235 R408	L210-D219 HydrophobicContact CD2-CB 3.58Å; D219-R221 PolarHBondContact O-N 2.75Å; D219-R221 WeakPolarHBondContact OD1-CA 3.32Å; D219-R221 VanDerWaalsContact OD1-CB 3.29Å; D219-R221 WeakPolarHBondContact OD1-CB 3.38Å; D219-R221 PolarHBondContact OD1-N 3.04Å; D219-A222 HydrophobicContact CB-CB 4.09Å; D219-A222 PolarHBondContact O-N 2.88Å; D219-A222 PolarHBondContact OD1-N 3.32Å; D219-A222 VanDerWaalsContact OD1-N 3.08Å; D219-P235 PolarHBondContact N-O 2.82Å; D219-R408 IonicContact OD2-CZ 2.75Å; D219-R408 VanDerWaalsContact OD2-CZ 3.31Å; D219-R408 IonicContact OD2-NH1 2.69Å; D219-R408 PolarHBondContact OD2-NH1 3.45Å; D219-R408 IonicContact OD2-NH2 2.74Å; D219-R408 PolarHBondContact OD2-NH2 3.24Å
220	P	83.1	Confident	84.2	Confident	35 Å²	35	73.2 Å²	73.2	23%	0.227	35%	0.345	C	S	.	.	S	Bend	trans	-69.5	-19.9	178	-12.9	26.3	0	0	0	112.9	E211 F218 K223 W234	E211-P220 HydrophobicContact CB-CG 4.1Å; E211-P220 HydrophobicContact CG-CG 3.52Å; F218-P220 WeakPolarHBondContact O-CD 3.26Å; P220-K223 WeakPolarHBondContact O-CB 3.14Å; P220-K223 WeakPolarHBondContact O-CG 3.28Å; P220-K223 PolarHBondContact O-N 3.28Å; P220-W234 HydrophobicContact CB-CD2 4.22Å; P220-W234 HydrophobicContact CB-CE3 4.11Å; P220-W234 HydrophobicContact CB-CH2 4.04Å; P220-W234 HydrophobicContact CB-CZ2 4.16Å; P220-W234 HydrophobicContact CB-CZ3 4.03Å; P220-W234 HydrophobicContact CG-CE3 3.99Å; P220-W234 HydrophobicContact CG-CH2 4.18Å; P220-W234 HydrophobicContact CG-CZ3 3.77Å
221	R	83.4	Confident	84.2	Confident	187 Å²	187	72.7 Å²	72.7	71%	0.706	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-33.7	179.3	-50.1	-179.9	-173.3	172.8	6.3	110.3	N209 D219 K223	N209-R221 PolarHBondContact ND2-NH2 2.87Å; D219-R221 PolarHBondContact O-N 2.75Å; D219-R221 WeakPolarHBondContact OD1-CA 3.32Å; D219-R221 VanDerWaalsContact OD1-CB 3.29Å; D219-R221 WeakPolarHBondContact OD1-CB 3.38Å; D219-R221 PolarHBondContact OD1-N 3.04Å; R221-K223 VanDerWaalsContact C-N 3.27Å; R221-K223 PolarHBondContact O-N 3.13Å
222	A	85	Confident	84.4	Confident	49 Å²	49	70.2 Å²	70.2	41%	0.405	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	23.2	172.8	0	0	0	0	0	113.9	D219 P235	D219-A222 HydrophobicContact CB-CB 4.09Å; D219-A222 PolarHBondContact O-N 2.88Å; D219-A222 PolarHBondContact OD1-N 3.32Å; D219-A222 VanDerWaalsContact OD1-N 3.08Å; A222-P235 HydrophobicContact CB-CG 3.77Å; A222-P235 WeakPolarHBondContact O-CD 3.49Å; A222-P235 VanDerWaalsContact O-CG 3.27Å; A222-P235 WeakPolarHBondContact O-CG 3.37Å
223	K	87.8	Confident	84.9	Confident	75 Å²	75	65.9 Å²	65.9	33%	0.326	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-61.2	141.2	179.7	68.2	168.1	-165.6	162.9	0	112.3	P220 R221 E225 E232 W234	P220-K223 WeakPolarHBondContact O-CB 3.14Å; P220-K223 WeakPolarHBondContact O-CG 3.28Å; P220-K223 PolarHBondContact O-N 3.28Å; R221-K223 VanDerWaalsContact C-N 3.27Å; R221-K223 PolarHBondContact O-N 3.13Å; K223-E225 WeakPolarHBondContact CE-OE1 3.14Å; K223-E225 IonicContact NZ-OE1 2.73Å; K223-E225 PolarHBondContact NZ-OE1 2.69Å; K223-E232 HydrophobicContact CD-CG 4.26Å; K223-E232 VanDerWaalsContact CD-OE2 3.24Å; K223-E232 WeakPolarHBondContact CD-OE2 3.46Å; K223-E232 VanDerWaalsContact NZ-CD 3.3Å; K223-E232 IonicContact NZ-OE1 2.94Å; K223-E232 PolarHBondContact NZ-OE1 2.84Å; K223-E232 IonicContact NZ-OE2 3.9Å; K223-W234 HydrophobicContact CB-CG 4.4Å
224	I	88.5	Confident	85.5	Confident	53 Å²	53	66.1 Å²	66.1	27%	0.272	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	118.5	173.8	-58.5	178.7	0	0	0	108.4	E232 L233 Y390	I224-E232 CarbonylContact O-C 3.57Å; I224-E232 WeakPolarHBondContact O-CA 3.4Å; I224-L233 HydrophobicContact CB-CB 4.36Å; I224-L233 HydrophobicContact CD1-CD2 4.39Å; I224-L233 PolarHBondContact N-O 2.67Å; I224-L233 PolarHBondContact O-N 3.49Å; I224-Y390 HydrophobicContact CD1-CD1 3.88Å; I224-Y390 HydrophobicContact CD1-CE1 4.42Å; I224-Y390 HydrophobicContact CD1-CG 4.42Å; I224-Y390 HydrophobicContact CG2-CD1 4.13Å; I224-Y390 HydrophobicContact CG2-CD2 4.48Å; I224-Y390 HydrophobicContact CG2-CE1 3.92Å; I224-Y390 HydrophobicContact CG2-CE2 4.29Å; I224-Y390 HydrophobicContact CG2-CG 4.41Å
225	E	88.3	Confident	86.3	Confident	76 Å²	76	64.7 Å²	64.7	36%	0.355	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	126.4	177.5	-58.7	-165.2	155.1	0	0	111.5	K223 R227 E232	K223-E225 WeakPolarHBondContact CE-OE1 3.14Å; K223-E225 IonicContact NZ-OE1 2.73Å; K223-E225 PolarHBondContact NZ-OE1 2.69Å; E225-R227 HydrophobicContact CB-CG 4.18Å; E225-R227 IonicContact OE2-CZ 3.69Å; E225-R227 VanDerWaalsContact OE2-CZ 3.23Å; E225-R227 IonicContact OE2-NE 2.7Å; E225-R227 PolarHBondContact OE2-NE 2.95Å; E225-R227 IonicContact OE2-NH2 3.89Å; E225-R227 PolarHBondContact OE2-NH2 3.48Å; E225-E232 HydrophobicContact CG-CG 4.43Å
226	I	87.9	Confident	87.3	Confident	11 Å²	11	55 Å²	55	6%	0.056	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	75.6	173.5	-50	-178.5	0	0	0	107.3	E228 F229 K230 M231 Y390	I226-E228 VanDerWaalsContact C-N 3.33Å; I226-E228 PolarHBondContact O-N 3.42Å; I226-F229 HydrophobicContact CG2-CD2 3.85Å; I226-F229 PolarHBondContact O-N 2.88Å; I226-F229 VanDerWaalsContact O-N 3.17Å; I226-K230 PolarHBondContact O-N 3.25Å; I226-M231 HydrophobicContact CB-CB 4.5Å; I226-M231 PolarHBondContact N-O 2.64Å; I226-M231 PolarHBondContact O-N 3.09Å; I226-Y390 HydrophobicContact CD1-CD2 4.13Å; I226-Y390 HydrophobicContact CD1-CE2 4.27Å; I226-Y390 HydrophobicContact CG1-CE2 4.38Å
227	R	85	Confident	87.5	Confident	198 Å²	198	55.8 Å²	55.8	75%	0.747	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-59.8	-39.4	-169.1	-65.9	-176.8	176.1	-179.5	-1.7	113.2	E225 F229 K230	E225-R227 HydrophobicContact CB-CG 4.18Å; E225-R227 IonicContact OE2-CZ 3.69Å; E225-R227 VanDerWaalsContact OE2-CZ 3.23Å; E225-R227 IonicContact OE2-NE 2.7Å; E225-R227 PolarHBondContact OE2-NE 2.95Å; E225-R227 IonicContact OE2-NH2 3.89Å; E225-R227 PolarHBondContact OE2-NH2 3.48Å; R227-F229 PolarHBondContact O-N 3.3Å; R227-K230 PolarHBondContact O-N 2.83Å; R227-K230 VanDerWaalsContact O-N 3.08Å
228	E	85.2	Confident	87.7	Confident	163 Å²	163	57.9 Å²	57.9	76%	0.762	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-47.1	-36.3	175.1	-64.2	173.5	-179.4	0	0	113.7	I226	I226-E228 VanDerWaalsContact C-N 3.33Å; I226-E228 PolarHBondContact O-N 3.42Å
229	F	84.3	Confident	87.7	Confident	48 Å²	48	59 Å²	59	21%	0.211	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-117	15.7	-175.3	-57.6	-77.3	0	0	0	113	I226 R227 M231 Q382 L383 A386	I226-F229 HydrophobicContact CG2-CD2 3.85Å; I226-F229 PolarHBondContact O-N 2.88Å; I226-F229 VanDerWaalsContact O-N 3.17Å; R227-F229 PolarHBondContact O-N 3.3Å; F229-M231 VanDerWaalsContact C-N 3.32Å; F229-M231 HydrophobicContact CB-CE 3.58Å; F229-M231 WeakPolarHBondContact O-CE 3.38Å; F229-M231 PolarHBondContact O-N 2.88Å; F229-Q382 HydrophobicContact CE1-CB 4.42Å; F229-Q382 HydrophobicContact CZ-CB 3.89Å; F229-L383 HydrophobicContact CB-CD1 3.85Å; F229-L383 HydrophobicContact CD1-CB 3.91Å; F229-L383 HydrophobicContact CD1-CD1 4.39Å; F229-L383 HydrophobicContact CD2-CB 4.41Å; F229-L383 HydrophobicContact CD2-CD1 4.03Å; F229-L383 HydrophobicContact CE1-CB 3.96Å; F229-L383 HydrophobicContact CE2-CB 4.47Å; F229-L383 HydrophobicContact CG-CB 4.15Å; F229-L383 HydrophobicContact CG-CD1 3.83Å; F229-L383 HydrophobicContact CG-CG 4.47Å; F229-L383 HydrophobicContact CZ-CB 4.26Å; F229-A386 HydrophobicContact CE2-CB 4.12Å
230	K	85.9	Confident	87.6	Confident	155 Å²	155	60.1 Å²	60.1	67%	0.674	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	49.9	-178.3	-61	-173.8	179.3	-176.1	0	113	I226 R227 T261	I226-K230 PolarHBondContact O-N 3.25Å; R227-K230 PolarHBondContact O-N 2.83Å; R227-K230 VanDerWaalsContact O-N 3.08Å; K230-T261 WeakPolarHBondContact O-CB 3.4Å; K230-T261 PolarHBondContact O-N 3.42Å; K230-T261 PolarHBondContact O-OG1 2.95Å
231	M	86.9	Confident	87.8	Confident	5 Å²	5	58.7 Å²	58.7	3%	0.025	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	154.5	179.5	-99.4	166.9	-76.6	0	0	112.8	I226 F229 V258 M259 R260 L373 M377 L383 M387	I226-M231 HydrophobicContact CB-CB 4.5Å; I226-M231 PolarHBondContact N-O 2.64Å; I226-M231 PolarHBondContact O-N 3.09Å; F229-M231 VanDerWaalsContact C-N 3.32Å; F229-M231 HydrophobicContact CB-CE 3.58Å; F229-M231 WeakPolarHBondContact O-CE 3.38Å; F229-M231 PolarHBondContact O-N 2.88Å; M231-V258 HydrophobicContact CG-CG1 4.39Å; M231-V258 HydrophobicContact SD-CG1 3.93Å; M231-M259 CarbonylContact C-O 3.52Å; M231-M259 WeakPolarHBondContact CA-O 3.45Å; M231-M259 WeakPolarHBondContact CG-O 3.5Å; M231-R260 HydrophobicContact CG-CG 4.27Å; M231-L373 HydrophobicContact SD-CD2 3.57Å; M231-L373 VanDerWaalsContact SD-CD2 3.57Å; M231-M377 HydrophobicContact CE-CE 3.29Å; M231-M377 HydrophobicContact CG-CE 4.47Å; M231-M377 HydrophobicContact SD-CE 3.5Å; M231-M377 WeakPolarHBondContact SD-CE 3.22Å; M231-L383 HydrophobicContact CE-CD1 3.46Å; M231-L383 VanDerWaalsContact CE-CD1 3.46Å; M231-L383 HydrophobicContact CE-CD2 3.67Å; M231-L383 HydrophobicContact CE-CG 4.23Å; M231-L383 HydrophobicContact SD-CD1 4.1Å; M231-M387 HydrophobicContact SD-CE 4.17Å
232	E	89.1	Confident	87.8	Confident	12 Å²	12	52.7 Å²	52.7	6%	0.056	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	149.8	166.9	-67.2	175.1	-159.8	0	0	109.4	K223 I224 E225 W234 M259 R369	K223-E232 HydrophobicContact CD-CG 4.26Å; K223-E232 VanDerWaalsContact CD-OE2 3.24Å; K223-E232 WeakPolarHBondContact CD-OE2 3.46Å; K223-E232 VanDerWaalsContact NZ-CD 3.3Å; K223-E232 IonicContact NZ-OE1 2.94Å; K223-E232 PolarHBondContact NZ-OE1 2.84Å; K223-E232 IonicContact NZ-OE2 3.9Å; I224-E232 CarbonylContact O-C 3.57Å; I224-E232 WeakPolarHBondContact O-CA 3.4Å; E225-E232 HydrophobicContact CG-CG 4.43Å; E232-W234 PolarHBondContact OE2-NE1 2.78Å; E232-M259 HydrophobicContact CB-CB 4.1Å; E232-M259 PolarHBondContact N-O 3.45Å; E232-M259 PolarHBondContact O-N 2.99Å; E232-M259 VanDerWaalsContact O-O 3.06Å; E232-R369 IonicContact OE1-CZ 3.22Å; E232-R369 IonicContact OE1-NH1 2.93Å; E232-R369 IonicContact OE1-NH2 2.79Å; E232-R369 PolarHBondContact OE1-NH2 2.96Å; E232-R369 IonicContact OE2-NH2 2.74Å; E232-R369 PolarHBondContact OE2-NH2 2.81Å
233	L	89.3	Confident	87.9	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	107.2	176.9	-176.6	164.2	0	0	0	107.4	I224 H256 K257 M387 T391	I224-L233 HydrophobicContact CB-CB 4.36Å; I224-L233 HydrophobicContact CD1-CD2 4.39Å; I224-L233 PolarHBondContact N-O 2.67Å; I224-L233 PolarHBondContact O-N 3.49Å; L233-H256 HydrophobicContact CD1-CB 4.48Å; L233-H256 HydrophobicContact CD2-CB 3.74Å; L233-H256 VanDerWaalsContact CD2-CD2 3.48Å; L233-H256 WeakPolarHBondContact CD2-CD2 3.44Å; L233-H256 HydrophobicContact CG-CB 4.06Å; L233-K257 WeakPolarHBondContact CA-O 3.17Å; L233-M387 HydrophobicContact CD1-CG 4.45Å; L233-T391 HydrophobicContact CD1-CG2 3.87Å
234	W	89.9	Confident	87.9	Confident	10 Å²	10	48.9 Å²	48.9	4%	0.038	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	121.3	178.8	-60.1	4.7	0	0	0	108.7	V213 F218 P220 K223 E232 H256 K257 M259 L292 N297	V213-W234 HydrophobicContact CG2-CZ3 4.45Å; F218-W234 HydrophobicContact CB-CB 4.38Å; F218-W234 HydrophobicContact CB-CE3 4.36Å; P220-W234 HydrophobicContact CB-CD2 4.22Å; P220-W234 HydrophobicContact CB-CE3 4.11Å; P220-W234 HydrophobicContact CB-CH2 4.04Å; P220-W234 HydrophobicContact CB-CZ2 4.16Å; P220-W234 HydrophobicContact CB-CZ3 4.03Å; P220-W234 HydrophobicContact CG-CE3 3.99Å; P220-W234 HydrophobicContact CG-CH2 4.18Å; P220-W234 HydrophobicContact CG-CZ3 3.77Å; K223-W234 HydrophobicContact CB-CG 4.4Å; E232-W234 PolarHBondContact OE2-NE1 2.78Å; W234-H256 WeakPolarHBondContact O-CA 3.2Å; W234-K257 HydrophobicContact CB-CB 4.28Å; W234-K257 PolarHBondContact N-O 3.4Å; W234-K257 PolarHBondContact O-N 2.8Å; W234-M259 HydrophobicContact CD2-CG 4.22Å; W234-M259 HydrophobicContact CG-CG 4.38Å; W234-L292 HydrophobicContact CH2-CD2 3.56Å; W234-L292 HydrophobicContact CZ2-CD2 4.24Å; W234-L292 HydrophobicContact CZ3-CD2 3.97Å; W234-N297 WeakPolarHBondContact CH2-OD1 3.08Å
235	P	90.6	Very high	87.7	Confident	25 Å²	25	48.2 Å²	48.2	16%	0.162	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	154.2	172.8	32.4	-35.4	0	0	0	110.5	F218 D219 A222	F218-P235 WeakPolarHBondContact CA-O 3.44Å; D219-P235 PolarHBondContact N-O 2.82Å; A222-P235 HydrophobicContact CB-CG 3.77Å; A222-P235 WeakPolarHBondContact O-CD 3.49Å; A222-P235 VanDerWaalsContact O-CG 3.27Å; A222-P235 WeakPolarHBondContact O-CG 3.37Å
236	G	91.5	Very high	87.4	Confident	0 Å²	0	52 Å²	52	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.1	-174.8	-178.4	0	0	0	0	0	113.9	L217 T255	L217-G236 CarbonylContact O-C 3.59Å; L217-G236 WeakPolarHBondContact O-CA 3.49Å; G236-T255 CarbonylContact C-O 3.49Å; G236-T255 PolarHBondContact N-O 3.36Å; G236-T255 PolarHBondContact O-N 3.27Å; G236-T255 VanDerWaalsContact O-O 3.05Å
237	Y	90.8	Very high	87.3	Confident	36 Å²	36	53.4 Å²	53.4	14%	0.141	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	122.8	-167.6	-53.8	-78.1	0	0	0	109.4	L210 L217 T252 E253 F405	L210-Y237 HydrophobicContact CD1-CD2 4.17Å; L217-Y237 PolarHBondContact N-O 2.74Å; L217-Y237 PolarHBondContact O-N 2.97Å; Y237-T252 HydrophobicContact CD1-CG2 3.87Å; Y237-T252 HydrophobicContact CG-CG2 4.35Å; Y237-E253 CarbonylContact C-O 3.24Å; Y237-E253 WeakPolarHBondContact CA-O 3.4Å; Y237-F405 HydrophobicContact CD1-CB 4.29Å; Y237-F405 AromaticContact CD1-CD2 3.69Å; Y237-F405 HydrophobicContact CD1-CD2 3.69Å; Y237-F405 HydrophobicContact CD1-CE2 4.11Å; Y237-F405 AromaticContact CD1-CG 3.9Å; Y237-F405 HydrophobicContact CD1-CG 3.9Å; Y237-F405 AromaticContact CD2-CD2 3.59Å; Y237-F405 HydrophobicContact CD2-CD2 3.59Å; Y237-F405 AromaticContact CD2-CE2 3.59Å; Y237-F405 HydrophobicContact CD2-CE2 3.59Å; Y237-F405 HydrophobicContact CE1-CB 3.66Å; Y237-F405 AromaticContact CE1-CD2 3.59Å; Y237-F405 HydrophobicContact CE1-CD2 3.59Å; Y237-F405 HydrophobicContact CE1-CE2 4.42Å; Y237-F405 AromaticContact CE1-CG 3.73Å; Y237-F405 HydrophobicContact CE1-CG 3.73Å; Y237-F405 AromaticContact CE2-CD2 3.49Å; Y237-F405 HydrophobicContact CE2-CD2 3.49Å; Y237-F405 VanDerWaalsContact CE2-CD2 3.49Å; Y237-F405 AromaticContact CE2-CE2 3.94Å; Y237-F405 HydrophobicContact CE2-CE2 3.94Å; Y237-F405 HydrophobicContact CE2-CG 4.44Å; Y237-F405 AromaticContact CG-CD2 3.69Å; Y237-F405 HydrophobicContact CG-CD2 3.69Å; Y237-F405 AromaticContact CG-CE2 3.68Å; Y237-F405 HydrophobicContact CG-CE2 3.68Å; Y237-F405 HydrophobicContact CG-CG 4.33Å; Y237-F405 HydrophobicContact CG-CZ 4.32Å; Y237-F405 AromaticContact CZ-CD2 3.48Å; Y237-F405 VanDerWaalsContact CZ-CD2 3.48Å
238	E	90.6	Very high	87.6	Confident	61 Å²	61	44.3 Å²	44.3	29%	0.285	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	122.5	160.8	-168	153.4	160.4	0	0	107.2	N216 T252 E253 N731	N216-E238 WeakPolarHBondContact ND2-CB 3.48Å; N216-E238 PolarHBondContact ND2-OE2 2.91Å; E238-T252 CarbonylContact O-C 3.57Å; E238-T252 WeakPolarHBondContact O-CA 3.41Å; E238-E253 PolarHBondContact N-O 2.92Å; E238-E253 PolarHBondContact O-N 3.18Å; E238-N731 VanDerWaalsContact CD-ND2 3.28Å; E238-N731 PolarHBondContact OE1-ND2 2.89Å
239	T	89.2	Confident	87.9	Confident	28 Å²	28	36.6 Å²	36.6	17%	0.172	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	135.4	-173.7	56.9	0	0	0	0	110.4	M205 G251 T252 F405	M205-T239 HydrophobicContact CE-CG2 4.05Å; T239-G251 WeakPolarHBondContact CA-O 3.37Å; T239-T252 HydrophobicContact CG2-CG2 4.32Å; T239-F405 HydrophobicContact CG2-CZ 4.47Å
240	S	86.8	Confident	88.4	Confident	35 Å²	35	34.4 Å²	34.4	25%	0.245	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	115.3	176	61	0	0	0	0	110.9	G251	S240-G251 PolarHBondContact N-O 2.79Å; S240-G251 PolarHBondContact O-N 3.07Å
241	I	87.8	Confident	88.7	Confident	4 Å²	4	27.1 Å²	27.1	2%	0.021	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.9	170.3	-175.6	165.9	0	0	0	110	L106 L197 N198 L201 I248 L249 L250	L106-I241 HydrophobicContact CD1-CD1 4.37Å; L106-I241 HydrophobicContact CD2-CD1 3.76Å; L197-I241 HydrophobicContact CB-CD1 4.03Å; L197-I241 HydrophobicContact CB-CG1 4.18Å; L197-I241 HydrophobicContact CB-CG2 4.07Å; L197-I241 HydrophobicContact CD1-CG1 4.44Å; L197-I241 HydrophobicContact CD2-CD1 4.06Å; L197-I241 HydrophobicContact CG-CD1 4.45Å; N198-I241 HydrophobicContact CB-CG2 4.39Å; N198-I241 PolarHBondContact ND2-O 2.81Å; L201-I241 HydrophobicContact CB-CG2 4Å; L201-I241 HydrophobicContact CD2-CB 4.05Å; L201-I241 HydrophobicContact CD2-CG2 3.81Å; L201-I241 HydrophobicContact CG-CG2 4.45Å; I241-I248 HydrophobicContact CD1-CG2 3.88Å; I241-I248 HydrophobicContact CG1-CG2 3.78Å; I241-L249 WeakPolarHBondContact CA-O 3.43Å; I241-L250 HydrophobicContact CB-CD1 4.47Å
242	R	83.8	Confident	88.9	Confident	62 Å²	62	26.9 Å²	26.9	23%	0.234	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	155.8	176.4	-69.6	-173.1	174.7	-99.4	-14.5	111.9	Y78 L194 H244 I248 L249 L753	Y78-R242 PolarHBondContact OH-NH1 3.09Å; L194-R242 HydrophobicContact CD2-CB 4.3Å; L194-R242 HydrophobicContact CD2-CG 4.41Å; R242-H244 PolarHBondContact O-CD2 3.04Å; R242-I248 WeakPolarHBondContact O-CA 3.32Å; R242-L249 PolarHBondContact N-O 3.16Å; R242-L249 VanDerWaalsContact N-O 3.07Å; R242-L249 PolarHBondContact O-N 2.81Å; R242-L753 HydrophobicContact CB-CD2 4.47Å
243	Q	86.1	Confident	89.1	Confident	37 Å²	37	26.8 Å²	26.8	17%	0.173	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	130	155.8	-176	62.9	36.1	0	0	108.3	F193 K246 I248 P754	F193-Q243 HydrophobicContact CE1-CB 4.34Å; Q243-K246 PolarHBondContact NE2-O 2.91Å; Q243-K246 VanDerWaalsContact NE2-O 3.12Å; Q243-I248 VanDerWaalsContact OE1-CG1 3.29Å; Q243-P754 HydrophobicContact CG-CG 4.44Å
244	H	88.6	Confident	89.1	Confident	6 Å²	6	27.2 Å²	27.2	3%	0.028	13%	0.131	C	C	.	.			trans	-113.4	-171.5	168.9	-71.4	-94.2	0	0	0	109.8	F103 R242 K246 D247 L249 V750 I751 T752 P754	F103-H244 AromaticContact CE1-CE1 3.84Å; F103-H244 AromaticContact CE1-NE2 3.55Å; R242-H244 PolarHBondContact O-CD2 3.04Å; H244-K246 PolarHBondContact O-N 3.29Å; H244-D247 PolarHBondContact N-O 2.95Å; H244-L249 HydrophobicContact CB-CD1 4.11Å; H244-L249 HydrophobicContact CB-CG 4.28Å; H244-V750 WeakPolarHBondContact CB-O 3.13Å; H244-I751 PolarHBondContact CE1-O 3.43Å; H244-I751 VanDerWaalsContact CE1-O 3.26Å; H244-I751 VanDerWaalsContact ND1-C 3.32Å; H244-I751 PolarHBondContact ND1-O 3.1Å; H244-I751 VanDerWaalsContact ND1-O 3.16Å; H244-T752 PolarHBondContact ND1-O 2.97Å; H244-P754 VanDerWaalsContact C-CG 3.47Å; H244-P754 WeakPolarHBondContact O-CG 3.2Å
245	E	83.9	Confident	89.1	Confident	39 Å²	39	28.3 Å²	28.3	18%	0.182	14%	0.138	C	C	.	.	S	Bend	trans	-47.8	-29	-169.7	-56.3	-60.2	140.3	0	0	115.3	R82 K89 T752 L753	R82-E245 IonicContact NH1-OE2 2.71Å; R82-E245 PolarHBondContact NH1-OE2 3.14Å; R82-E245 VanDerWaalsContact NH1-OE2 3.07Å; K89-E245 WeakPolarHBondContact CE-OE1 3.47Å; K89-E245 IonicContact NZ-OE1 3.91Å; K89-E245 PolarHBondContact NZ-OE1 3.26Å; K89-E245 IonicContact NZ-OE2 3.02Å; E245-T752 VanDerWaalsContact CD-OG1 3.28Å; E245-T752 VanDerWaalsContact CG-OG1 3.27Å; E245-T752 WeakPolarHBondContact CG-OG1 3.29Å; E245-T752 VanDerWaalsContact OE1-C 3.27Å; E245-T752 WeakPolarHBondContact OE1-CB 3.15Å; E245-T752 PolarHBondContact OE1-OG1 2.92Å; E245-L753 PolarHBondContact OE1-N 2.89Å
246	K	81.9	Confident	88.9	Confident	156 Å²	156	29.1 Å²	29.1	68%	0.678	14%	0.14	S	C	*	.	S	Bend	trans	-134	-43.8	178.1	-61	-177.3	-179.2	-178.5	0	112.5	Q243 H244	Q243-K246 PolarHBondContact NE2-O 2.91Å; Q243-K246 VanDerWaalsContact NE2-O 3.12Å; H244-K246 PolarHBondContact O-N 3.29Å
247	D	85.9	Confident	88.7	Confident	40 Å²	40	31.2 Å²	31.2	21%	0.214	15%	0.149	C	C	.	.	S	Bend	trans	-116.6	156.9	-166.3	-71.1	-73.4	0	0	0	113.8	R105 H244 L249	R105-D247 HydrophobicContact CG-CB 4.2Å; R105-D247 IonicContact CZ-OD1 2.87Å; R105-D247 IonicContact CZ-OD2 2.9Å; R105-D247 IonicContact NE-OD1 3.8Å; R105-D247 PolarHBondContact NE-OD1 3.33Å; R105-D247 IonicContact NE-OD2 3.46Å; R105-D247 IonicContact NH2-OD1 3.73Å; R105-D247 PolarHBondContact NH2-OD1 3.23Å; R105-D247 IonicContact NH2-OD2 3.63Å; R105-D247 PolarHBondContact NH2-OD2 2.97Å; H244-D247 PolarHBondContact N-O 2.95Å; D247-L249 HydrophobicContact CB-CD2 3.87Å; D247-L249 HydrophobicContact CB-CG 4.49Å; D247-L249 PolarHBondContact O-N 3.26Å
248	I	90.8	Very high	88.5	Confident	8 Å²	8	30.6 Å²	30.6	4%	0.041	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	119.6	162.7	-57.7	169.8	0	0	0	107.6	L106 T108 W112 F193 L197 I241 R242 Q243 M424	L106-I248 HydrophobicContact CB-CB 4.3Å; L106-I248 HydrophobicContact CB-CG2 4.15Å; L106-I248 PolarHBondContact N-O 2.85Å; T108-I248 HydrophobicContact CG2-CD1 4.2Å; W112-I248 HydrophobicContact CE3-CD1 4.36Å; W112-I248 HydrophobicContact CH2-CD1 4.44Å; W112-I248 HydrophobicContact CZ3-CD1 3.84Å; F193-I248 HydrophobicContact CE1-CD1 4.39Å; F193-I248 HydrophobicContact CZ-CD1 4.04Å; L197-I248 HydrophobicContact CD1-CD1 4.17Å; L197-I248 HydrophobicContact CD1-CG1 4.36Å; L197-I248 HydrophobicContact CD1-CG2 3.98Å; L197-I248 HydrophobicContact CD2-CD1 4.28Å; L197-I248 HydrophobicContact CD2-CG2 4.49Å; I241-I248 HydrophobicContact CD1-CG2 3.88Å; I241-I248 HydrophobicContact CG1-CG2 3.78Å; R242-I248 WeakPolarHBondContact O-CA 3.32Å; Q243-I248 VanDerWaalsContact OE1-CG1 3.29Å; I248-M424 HydrophobicContact CD1-CE 3.88Å
249	L	93.1	Very high	88.2	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	139.6	177	-51.6	-177.6	0	0	0	111.3	F103 F104 R105 I241 R242 H244 D247 T431 V750 I751	F103-L249 HydrophobicContact CB-CB 4.22Å; F103-L249 HydrophobicContact CB-CD1 4.18Å; F103-L249 HydrophobicContact CD1-CB 3.71Å; F103-L249 HydrophobicContact CD1-CD1 4.13Å; F103-L249 HydrophobicContact CG-CB 4.39Å; F103-L249 HydrophobicContact CG-CD1 4.33Å; F104-L249 WeakPolarHBondContact O-CA 3.43Å; R105-L249 HydrophobicContact CB-CD2 4.01Å; R105-L249 HydrophobicContact CG-CD2 4.22Å; I241-L249 WeakPolarHBondContact CA-O 3.43Å; R242-L249 PolarHBondContact N-O 3.16Å; R242-L249 VanDerWaalsContact N-O 3.07Å; R242-L249 PolarHBondContact O-N 2.81Å; H244-L249 HydrophobicContact CB-CD1 4.11Å; H244-L249 HydrophobicContact CB-CG 4.28Å; D247-L249 HydrophobicContact CB-CD2 3.87Å; D247-L249 HydrophobicContact CB-CG 4.49Å; D247-L249 PolarHBondContact O-N 3.26Å; L249-T431 HydrophobicContact CD1-CG2 4.47Å; L249-T431 HydrophobicContact CD2-CG2 4.33Å; L249-V750 HydrophobicContact CD1-CG1 4.43Å; L249-V750 WeakPolarHBondContact CD1-O 3.41Å; L249-I751 HydrophobicContact CD1-CG2 3.92Å
250	L	93.1	Very high	88	Confident	3 Å²	3	27 Å²	27	2%	0.016	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	100.1	166.8	172.3	56.9	0	0	0	109.3	F103 F104 L106 L201 M205 I241 L426	F103-L250 CarbonylContact C-O 3.5Å; F103-L250 WeakPolarHBondContact CA-O 3.43Å; F104-L250 PolarHBondContact N-O 2.88Å; F104-L250 PolarHBondContact O-N 2.67Å; L106-L250 HydrophobicContact CD1-CB 3.59Å; L201-L250 HydrophobicContact CD1-CD1 3.68Å; L201-L250 HydrophobicContact CD1-CD2 3.75Å; L201-L250 HydrophobicContact CD1-CG 4.32Å; L201-L250 HydrophobicContact CD2-CD1 3.66Å; L201-L250 HydrophobicContact CG-CD1 4.34Å; M205-L250 HydrophobicContact CE-CD2 4.19Å; I241-L250 HydrophobicContact CB-CD1 4.47Å; L250-L426 HydrophobicContact CB-CD1 4.39Å; L250-L426 HydrophobicContact CD2-CD1 4Å; L250-L426 HydrophobicContact CD2-CD2 4.34Å
251	G	92.3	Very high	87.9	Confident	2 Å²	2	28.7 Å²	28.7	2%	0.021	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	131.7	168.4	0	0	0	0	0	110.9	T239 S240	T239-G251 WeakPolarHBondContact CA-O 3.37Å; S240-G251 PolarHBondContact N-O 2.79Å; S240-G251 PolarHBondContact O-N 3.07Å
252	T	92	Very high	87.9	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	124.2	176.8	-59.7	0	0	0	0	110.5	N102 Y237 E238 T239 F405	N102-T252 PolarHBondContact ND2-O 2.76Å; N102-T252 PolarHBondContact O-N 2.94Å; Y237-T252 HydrophobicContact CD1-CG2 3.87Å; Y237-T252 HydrophobicContact CG-CG2 4.35Å; E238-T252 CarbonylContact O-C 3.57Å; E238-T252 WeakPolarHBondContact O-CA 3.41Å; T239-T252 HydrophobicContact CG2-CG2 4.32Å; T252-F405 HydrophobicContact CG2-CD1 3.82Å; T252-F405 HydrophobicContact CG2-CE1 3.73Å; T252-F405 HydrophobicContact CG2-CG 4.49Å; T252-F405 HydrophobicContact CG2-CZ 4.34Å
253	E	92.2	Very high	88.2	Confident	9 Å²	9	28.3 Å²	28.3	4%	0.042	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	139.5	174.9	167.6	64	149.3	0	0	111.5	Y237 E238 T255 R398 M730 R733	Y237-E253 CarbonylContact C-O 3.24Å; Y237-E253 WeakPolarHBondContact CA-O 3.4Å; E238-E253 PolarHBondContact N-O 2.92Å; E238-E253 PolarHBondContact O-N 3.18Å; E253-T255 PolarHBondContact O-N 2.89Å; E253-R398 IonicContact OE1-CZ 2.66Å; E253-R398 IonicContact OE1-NH1 3.94Å; E253-R398 PolarHBondContact OE1-NH1 2.81Å; E253-R398 IonicContact OE2-CZ 2.71Å; E253-R398 IonicContact OE2-NE 3.4Å; E253-R398 IonicContact OE2-NH1 3.62Å; E253-R398 PolarHBondContact OE2-NH1 2.86Å; E253-M730 VanDerWaalsContact OE1-O 3.12Å; E253-R733 IonicContact OE1-CZ 2.76Å; E253-R733 IonicContact OE1-NE 2.7Å; E253-R733 PolarHBondContact OE1-NE 3.08Å; E253-R733 IonicContact OE1-NH2 2.66Å; E253-R733 PolarHBondContact OE1-NH2 3.17Å
254	I	90.1	Very high	88.5	Confident	11 Å²	11	26.6 Å²	26.6	6%	0.056	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	119.4	179.8	-45.9	178.4	0	0	0	109.9	M393 R398 R401 L402	I254-M393 HydrophobicContact CB-CE 3.75Å; I254-M393 HydrophobicContact CD1-CE 3.93Å; I254-M393 HydrophobicContact CD1-SD 4.12Å; I254-M393 HydrophobicContact CG1-CE 4.42Å; I254-M393 HydrophobicContact CG2-CE 3.75Å; I254-M393 HydrophobicContact CG2-SD 4.43Å; I254-R398 HydrophobicContact CD1-CG 3.92Å; I254-R398 HydrophobicContact CG1-CG 4.36Å; I254-R398 PolarHBondContact O-NH1 2.83Å; I254-R401 HydrophobicContact CD1-CB 3.35Å; I254-R401 HydrophobicContact CD1-CG 4.23Å; I254-L402 HydrophobicContact CD1-CD1 4.1Å; I254-L402 HydrophobicContact CG1-CD1 3.88Å
255	T	89.4	Confident	88.7	Confident	32 Å²	32	29 Å²	29	20%	0.196	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	153.4	-177.7	-56.4	0	0	0	0	110	F218 G236 E253	F218-T255 HydrophobicContact CE1-CG2 4.02Å; F218-T255 HydrophobicContact CZ-CG2 3.97Å; G236-T255 CarbonylContact C-O 3.49Å; G236-T255 PolarHBondContact N-O 3.36Å; G236-T255 PolarHBondContact O-N 3.27Å; G236-T255 VanDerWaalsContact O-O 3.05Å; E253-T255 PolarHBondContact O-N 2.89Å
256	H	87.9	Confident	88.9	Confident	43 Å²	43	30.3 Å²	30.3	20%	0.199	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	126.1	177.7	-57.5	108.4	0	0	0	110.1	L233 W234 T391	L233-H256 HydrophobicContact CD1-CB 4.48Å; L233-H256 HydrophobicContact CD2-CB 3.74Å; L233-H256 VanDerWaalsContact CD2-CD2 3.48Å; L233-H256 WeakPolarHBondContact CD2-CD2 3.44Å; L233-H256 HydrophobicContact CG-CB 4.06Å; W234-H256 WeakPolarHBondContact O-CA 3.2Å; H256-T391 HydrophobicContact CB-CG2 4.18Å
257	K	86.4	Confident	89.2	Confident	43 Å²	43	23.3 Å²	23.3	19%	0.187	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	117.1	173.2	-166.3	80.1	176.4	-166.7	0	108.8	V213 F218 L233 W234 M259	V213-K257 HydrophobicContact CG1-CD 4.21Å; F218-K257 HydrophobicContact CD1-CB 3.78Å; F218-K257 HydrophobicContact CE1-CB 3.65Å; F218-K257 HydrophobicContact CE2-CB 4.37Å; F218-K257 HydrophobicContact CE2-CD 4.3Å; F218-K257 HydrophobicContact CG-CB 4.24Å; F218-K257 HydrophobicContact CZ-CB 3.95Å; F218-K257 HydrophobicContact CZ-CD 4.24Å; L233-K257 WeakPolarHBondContact CA-O 3.17Å; W234-K257 HydrophobicContact CB-CB 4.28Å; W234-K257 PolarHBondContact N-O 3.4Å; W234-K257 PolarHBondContact O-N 2.8Å; K257-M259 HydrophobicContact CG-CG 4.26Å; K257-M259 HydrophobicContact CG-SD 3.97Å
258	V	86.8	Confident	89.4	Confident	23 Å²	23	21.9 Å²	21.9	14%	0.139	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	121.2	171.1	177.7	0	0	0	0	108.8	M231 G372 L373 M387	M231-V258 HydrophobicContact CG-CG1 4.39Å; M231-V258 HydrophobicContact SD-CG1 3.93Å; V258-G372 PolarHBondContact O-N 3.4Å; V258-L373 HydrophobicContact CG1-CD2 3.86Å; V258-L373 HydrophobicContact CG1-CG 4.33Å; V258-M387 HydrophobicContact CB-CE 4.31Å; V258-M387 HydrophobicContact CG1-CE 3.7Å; V258-M387 HydrophobicContact CG2-CE 3.57Å; V258-M387 HydrophobicContact CG2-SD 3.65Å
259	M	83.4	Confident	89.2	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132.1	179.4	-70.6	-53.6	-53.9	0	0	109	M231 E232 W234 K257 L292 R369 T371	M231-M259 CarbonylContact C-O 3.52Å; M231-M259 WeakPolarHBondContact CA-O 3.45Å; M231-M259 WeakPolarHBondContact CG-O 3.5Å; E232-M259 HydrophobicContact CB-CB 4.1Å; E232-M259 PolarHBondContact N-O 3.45Å; E232-M259 PolarHBondContact O-N 2.99Å; E232-M259 VanDerWaalsContact O-O 3.06Å; W234-M259 HydrophobicContact CD2-CG 4.22Å; W234-M259 HydrophobicContact CG-CG 4.38Å; K257-M259 HydrophobicContact CG-CG 4.26Å; K257-M259 HydrophobicContact CG-SD 3.97Å; M259-L292 HydrophobicContact CE-CB 3.53Å; M259-L292 HydrophobicContact CE-CD2 3.59Å; M259-L292 HydrophobicContact CE-CG 4.18Å; M259-L292 HydrophobicContact SD-CB 4.34Å; M259-L292 HydrophobicContact SD-CD2 4.07Å; M259-R369 HydrophobicContact CE-CB 4.14Å; M259-T371 HydrophobicContact CE-CG2 3.97Å; M259-T371 HydrophobicContact SD-CG2 3.69Å
260	R	86.6	Confident	88.7	Confident	15 Å²	15	36.7 Å²	36.7	6%	0.057	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	146.9	169.1	-56.8	-171.1	-154	165.6	11.6	109.5	M231 E262 R369 V370 G372 M377	M231-R260 HydrophobicContact CG-CG 4.27Å; R260-E262 HydrophobicContact CB-CB 4.29Å; R260-R369 PolarHBondContact O-NE 3.19Å; R260-R369 PolarHBondContact O-NH2 3.34Å; R260-V370 HydrophobicContact CB-CB 4.44Å; R260-V370 WeakPolarHBondContact CB-O 3.15Å; R260-V370 HydrophobicContact CG-CB 4.36Å; R260-V370 WeakPolarHBondContact CG-O 3.2Å; R260-V370 VanDerWaalsContact CZ-CG1 3.45Å; R260-V370 PolarHBondContact N-O 3.28Å; R260-G372 PolarHBondContact NE-O 3.19Å; R260-G372 PolarHBondContact NH2-O 2.92Å; R260-M377 HydrophobicContact CG-CE 4.13Å; R260-M377 VanDerWaalsContact CZ-SD 3.54Å
261	T	84.3	Confident	88	Confident	69 Å²	69	37.1 Å²	37.1	42%	0.423	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-18.3	166.6	-46	0	0	0	0	110.9	K230	K230-T261 WeakPolarHBondContact O-CB 3.4Å; K230-T261 PolarHBondContact O-N 3.42Å; K230-T261 PolarHBondContact O-OG1 2.95Å
262	E	87	Confident	86.9	Confident	38 Å²	38	40 Å²	40	18%	0.178	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	133.1	172	-167.6	178.4	-146.9	0	0	112.7	R260 D266 I267 R270 V370	R260-E262 HydrophobicContact CB-CB 4.29Å; E262-D266 HydrophobicContact CG-CB 3.55Å; E262-I267 VanDerWaalsContact CD-CG1 3.44Å; E262-I267 HydrophobicContact CG-CG1 3.99Å; E262-R270 IonicContact OE1-CZ 2.71Å; E262-R270 IonicContact OE1-NE 2.65Å; E262-R270 PolarHBondContact OE1-NE 2.9Å; E262-R270 IonicContact OE1-NH2 3.86Å; E262-R270 PolarHBondContact OE1-NH2 3.31Å; E262-R270 IonicContact OE2-NH2 3.65Å; E262-R270 PolarHBondContact OE2-NH2 3.33Å; E262-V370 PolarHBondContact O-N 3.41Å
263	T	90.8	Very high	85.7	Confident	21 Å²	21	47.9 Å²	47.9	13%	0.129	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	168	174.1	67.8	0	0	0	0	111.8	Y265 D266 I267 C368 R369	T263-Y265 PolarHBondContact O-N 3.26Å; T263-Y265 PolarHBondContact OG1-N 3.07Å; T263-D266 WeakPolarHBondContact CB-OD2 3.16Å; T263-D266 PolarHBondContact N-OD2 2.87Å; T263-D266 PolarHBondContact O-N 2.83Å; T263-D266 VanDerWaalsContact OG1-CG 3.22Å; T263-D266 PolarHBondContact OG1-N 3.42Å; T263-D266 VanDerWaalsContact OG1-N 3.12Å; T263-D266 PolarHBondContact OG1-OD2 3.24Å; T263-I267 PolarHBondContact O-N 3.05Å; T263-C368 CarbonylContact C-O 3.44Å; T263-C368 VanDerWaalsContact CA-O 3.3Å; T263-C368 WeakPolarHBondContact CA-O 3.17Å; T263-R369 HydrophobicContact CG2-CG 4.2Å
264	I	92	Very high	84.7	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.2	-34.1	169.7	-63.2	-65.5	0	0	0	111.1	D266 I267 M268 V286 L289 V291 I302 L344 P365 C368 V370	I264-D266 VanDerWaalsContact C-N 3.34Å; I264-D266 PolarHBondContact O-N 2.93Å; I264-I267 PolarHBondContact O-N 2.89Å; I264-M268 HydrophobicContact CG2-CE 3.86Å; I264-M268 HydrophobicContact CG2-CG 4.14Å; I264-M268 HydrophobicContact CG2-SD 3.91Å; I264-M268 WeakPolarHBondContact O-CG 3.46Å; I264-M268 PolarHBondContact O-N 3.46Å; I264-V286 HydrophobicContact CD1-CG1 4.25Å; I264-V286 HydrophobicContact CG2-CG1 3.82Å; I264-V286 HydrophobicContact CG2-CG2 4.04Å; I264-L289 HydrophobicContact CD1-CD1 3.93Å; I264-V291 HydrophobicContact CD1-CG1 3.62Å; I264-V291 HydrophobicContact CG1-CG1 3.49Å; I264-V291 VanDerWaalsContact CG1-CG1 3.49Å; I264-I302 HydrophobicContact CD1-CD1 3.8Å; I264-I302 HydrophobicContact CG1-CD1 3.98Å; I264-L344 HydrophobicContact CB-CD1 4.09Å; I264-L344 HydrophobicContact CG1-CD1 4.02Å; I264-L344 HydrophobicContact CG2-CD1 3.97Å; I264-L344 HydrophobicContact CG2-CD2 3.9Å; I264-P365 HydrophobicContact CB-CB 4.16Å; I264-P365 HydrophobicContact CG2-CB 4.08Å; I264-P365 PolarHBondContact N-O 3.06Å; I264-C368 HydrophobicContact CG1-CB 4.05Å; I264-C368 PolarHBondContact N-O 3.15Å; I264-V370 HydrophobicContact CD1-CG2 3.45Å; I264-V370 VanDerWaalsContact CD1-CG2 3.45Å; I264-V370 HydrophobicContact CG1-CG2 4.32Å
265	Y	92.3	Very high	83.6	Confident	56 Å²	56	55.7 Å²	55.7	22%	0.22	28%	0.276	C	S	.	.	H	α-helix	trans	-58.7	-43.5	175.8	177.6	-99.6	0	0	0	112.3	T263 I267 M268 R269 D338 Q341 P365	T263-Y265 PolarHBondContact O-N 3.26Å; T263-Y265 PolarHBondContact OG1-N 3.07Å; Y265-I267 PolarHBondContact O-N 3.01Å; Y265-M268 PolarHBondContact O-N 3.03Å; Y265-R269 WeakPolarHBondContact O-CB 3.3Å; Y265-R269 PolarHBondContact O-N 2.78Å; Y265-D338 HydrophobicContact CE2-CB 3.84Å; Y265-D338 VanDerWaalsContact CE2-OD2 3.25Å; Y265-D338 WeakPolarHBondContact CE2-OD2 3.38Å; Y265-D338 PolarHBondContact OH-OD2 3.36Å; Y265-Q341 HydrophobicContact CD2-CB 4.02Å; Y265-Q341 HydrophobicContact CE2-CB 4.1Å; Y265-P365 PolarHBondContact N-O 2.93Å
266	D	89.8	Confident	82.8	Confident	67 Å²	67	58.5 Å²	58.5	36%	0.358	30%	0.302	S	S	.	.	H	α-helix	trans	-61.6	-43.4	175.4	-60.7	-58.3	0	0	0	111.8	E262 T263 I264 R269 R270	E262-D266 HydrophobicContact CG-CB 3.55Å; T263-D266 WeakPolarHBondContact CB-OD2 3.16Å; T263-D266 PolarHBondContact N-OD2 2.87Å; T263-D266 PolarHBondContact O-N 2.83Å; T263-D266 VanDerWaalsContact OG1-CG 3.22Å; T263-D266 PolarHBondContact OG1-N 3.42Å; T263-D266 VanDerWaalsContact OG1-N 3.12Å; T263-D266 PolarHBondContact OG1-OD2 3.24Å; I264-D266 VanDerWaalsContact C-N 3.34Å; I264-D266 PolarHBondContact O-N 2.93Å; D266-R269 PolarHBondContact O-N 3.37Å; D266-R270 WeakPolarHBondContact O-CG 3.48Å; D266-R270 PolarHBondContact O-N 2.89Å
267	I	87.9	Confident	82.2	Confident	10 Å²	10	64.4 Å²	64.4	5%	0.051	32%	0.323	C	S	.	.	H	α-helix	trans	-63.2	-45.6	177.2	-65.5	175.1	0	0	0	110.5	E262 T263 I264 Y265 R269 R270 C271 N285 V286 V370	E262-I267 VanDerWaalsContact CD-CG1 3.44Å; E262-I267 HydrophobicContact CG-CG1 3.99Å; T263-I267 PolarHBondContact O-N 3.05Å; I264-I267 PolarHBondContact O-N 2.89Å; Y265-I267 PolarHBondContact O-N 3.01Å; I267-R269 VanDerWaalsContact C-N 3.31Å; I267-R269 PolarHBondContact O-N 3.38Å; I267-R270 PolarHBondContact O-N 3.03Å; I267-R270 VanDerWaalsContact O-N 3.1Å; I267-C271 PolarHBondContact O-N 2.92Å; I267-C271 VanDerWaalsContact O-N 3.09Å; I267-C271 PolarHBondContact O-SG 3.03Å; I267-C271 VanDerWaalsContact O-SG 3.37Å; I267-N285 HydrophobicContact CG2-CB 4.32Å; I267-V286 HydrophobicContact CG2-CG2 4.16Å; I267-V370 HydrophobicContact CD1-CG2 3.61Å
268	M	88.4	Confident	81.9	Confident	9 Å²	9	64.8 Å²	64.8	4%	0.044	33%	0.325	C	S	.	.	H	α-helix	trans	-57	-45.6	175.6	-74.5	172.1	160.1	0	0	111.3	I264 Y265 R270 C271 H278 V282 V286 V305 P342 L344 P365	I264-M268 HydrophobicContact CG2-CE 3.86Å; I264-M268 HydrophobicContact CG2-CG 4.14Å; I264-M268 HydrophobicContact CG2-SD 3.91Å; I264-M268 WeakPolarHBondContact O-CG 3.46Å; I264-M268 PolarHBondContact O-N 3.46Å; Y265-M268 PolarHBondContact O-N 3.03Å; M268-R270 VanDerWaalsContact C-N 3.3Å; M268-R270 PolarHBondContact O-N 2.94Å; M268-C271 WeakPolarHBondContact O-CB 3.43Å; M268-C271 PolarHBondContact O-N 3.49Å; M268-H278 PolarHBondContact O-CE1 2.93Å; M268-V282 HydrophobicContact CB-CG2 4.35Å; M268-V282 HydrophobicContact CE-CG1 3.78Å; M268-V282 HydrophobicContact CG-CG1 3.86Å; M268-V282 HydrophobicContact CG-CG2 4.18Å; M268-V286 HydrophobicContact CG-CG2 4.43Å; M268-V305 HydrophobicContact CE-CG1 3.61Å; M268-V305 HydrophobicContact CE-CG2 4.2Å; M268-P342 HydrophobicContact CE-CG 3.75Å; M268-P342 HydrophobicContact SD-CG 3.72Å; M268-L344 HydrophobicContact CE-CD2 3.55Å; M268-P365 HydrophobicContact CE-CG 4.12Å; M268-P365 HydrophobicContact SD-CB 3.78Å; M268-P365 HydrophobicContact SD-CG 3.73Å
269	R	86.4	Confident	81.7	Confident	174 Å²	174	67.8 Å²	67.8	66%	0.657	34%	0.338	S	S	*	.	H	α-helix	trans	-65.2	-29.1	177	-166.5	176	-178.3	-166	1.7	113	Y265 D266 I267 S272	Y265-R269 WeakPolarHBondContact O-CB 3.3Å; Y265-R269 PolarHBondContact O-N 2.78Å; D266-R269 PolarHBondContact O-N 3.37Å; I267-R269 VanDerWaalsContact C-N 3.31Å; I267-R269 PolarHBondContact O-N 3.38Å; R269-S272 PolarHBondContact O-OG 2.96Å; R269-S272 VanDerWaalsContact O-OG 3.06Å
270	R	83.3	Confident	81.6	Confident	146 Å²	146	72.5 Å²	72.5	55%	0.551	36%	0.363	S	S	*	.	H	α-helix	trans	-71.9	-29.9	171.2	-68.4	-166.1	-65.8	121.1	-8.7	112.6	E262 D266 I267 M268 S272 H273	E262-R270 IonicContact OE1-CZ 2.71Å; E262-R270 IonicContact OE1-NE 2.65Å; E262-R270 PolarHBondContact OE1-NE 2.9Å; E262-R270 IonicContact OE1-NH2 3.86Å; E262-R270 PolarHBondContact OE1-NH2 3.31Å; E262-R270 IonicContact OE2-NH2 3.65Å; E262-R270 PolarHBondContact OE2-NH2 3.33Å; D266-R270 WeakPolarHBondContact O-CG 3.48Å; D266-R270 PolarHBondContact O-N 2.89Å; I267-R270 PolarHBondContact O-N 3.03Å; I267-R270 VanDerWaalsContact O-N 3.1Å; M268-R270 VanDerWaalsContact C-N 3.3Å; M268-R270 PolarHBondContact O-N 2.94Å; R270-S272 VanDerWaalsContact C-N 3.25Å; R270-S272 PolarHBondContact O-N 3.19Å; R270-H273 PolarHBondContact O-CE1 2.87Å; R270-H273 PolarHBondContact O-ND1 2.66Å
271	C	79.1	Confident	81.4	Confident	11 Å²	11	75.1 Å²	75.1	7%	0.074	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	7.5	175.2	-62.2	0	0	0	0	114.5	I267 M268 H273 H278 E281 V282	I267-C271 PolarHBondContact O-N 2.92Å; I267-C271 VanDerWaalsContact O-N 3.09Å; I267-C271 PolarHBondContact O-SG 3.03Å; I267-C271 VanDerWaalsContact O-SG 3.37Å; M268-C271 WeakPolarHBondContact O-CB 3.43Å; M268-C271 PolarHBondContact O-N 3.49Å; C271-H273 PolarHBondContact O-N 2.76Å; C271-H278 PolarHBondContact O-ND1 3.33Å; C271-E281 HydrophobicContact CB-CB 4.35Å; C271-V282 HydrophobicContact CB-CG2 3.66Å
272	S	67.9	Low	81.4	Confident	62 Å²	62	71.8 Å²	71.8	43%	0.434	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	16	-176.1	79.6	0	0	0	0	115.2	R269 R270 N274 H278	R269-S272 PolarHBondContact O-OG 2.96Å; R269-S272 VanDerWaalsContact O-OG 3.06Å; R270-S272 VanDerWaalsContact C-N 3.25Å; R270-S272 PolarHBondContact O-N 3.19Å; S272-N274 VanDerWaalsContact C-N 3.34Å; S272-N274 PolarHBondContact O-N 3.35Å; S272-H278 WeakPolarHBondContact CA-ND1 3.42Å
273	H	67.1	Low	81.3	Confident	167 Å²	167	73.2 Å²	73.2	77%	0.773	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-16.5	-176.3	-73.3	85.4	0	0	0	114.2	R270 C271	R270-H273 PolarHBondContact O-CE1 2.87Å; R270-H273 PolarHBondContact O-ND1 2.66Å; C271-H273 PolarHBondContact O-N 2.76Å
274	N	71	Confident	80.9	Confident	64 Å²	64	78 Å²	78	34%	0.342	39%	0.388	S	S	.	.			trans	-134.3	103.6	174.5	-175.9	-16.3	0	0	0	110.6	S272 A276 R277 H278	S272-N274 VanDerWaalsContact C-N 3.34Å; S272-N274 PolarHBondContact O-N 3.35Å; N274-A276 PolarHBondContact O-N 2.79Å; N274-A276 PolarHBondContact OD1-N 3Å; N274-A276 VanDerWaalsContact OD1-N 3.13Å; N274-R277 PolarHBondContact O-N 3.46Å; N274-R277 VanDerWaalsContact O-N 3.12Å; N274-H278 PolarHBondContact O-N 2.98Å
275	P	67.8	Low	80.5	Confident	120 Å²	120	82.1 Å²	82.1	78%	0.779	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-36.7	-178.2	-28	35.7	0	0	0	114.1	R277	P275-R277 VanDerWaalsContact C-N 3.26Å; P275-R277 PolarHBondContact O-N 3.08Å
276	A	71.9	Confident	80.2	Confident	91 Å²	91	79.4 Å²	79.4	75%	0.752	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-12	-176.7	0	0	0	0	0	114.2	N274	N274-A276 PolarHBondContact O-N 2.79Å; N274-A276 PolarHBondContact OD1-N 3Å; N274-A276 VanDerWaalsContact OD1-N 3.13Å
277	R	76.8	Confident	80.1	Confident	166 Å²	166	78.8 Å²	78.8	63%	0.626	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124	-0.6	176	-71.1	-172.1	173.7	178.7	-0.8	114.1	N274 P275 Q279 D280 E281	N274-R277 PolarHBondContact O-N 3.46Å; N274-R277 VanDerWaalsContact O-N 3.12Å; P275-R277 VanDerWaalsContact C-N 3.26Å; P275-R277 PolarHBondContact O-N 3.08Å; R277-Q279 PolarHBondContact O-N 3.21Å; R277-D280 PolarHBondContact O-N 3.14Å; R277-E281 HydrophobicContact CB-CG 4.26Å; R277-E281 WeakPolarHBondContact CB-OE1 3.42Å; R277-E281 PolarHBondContact O-N 2.93Å
278	H	79.5	Confident	79.7	Confident	51 Å²	51	80.9 Å²	80.9	24%	0.236	41%	0.407	C	S	.	.	H	α-helix	trans	-51.3	-49.2	-171	177	49.8	0	0	0	113.5	M268 C271 S272 N274 D280 E281 V282	M268-H278 PolarHBondContact O-CE1 2.93Å; C271-H278 PolarHBondContact O-ND1 3.33Å; S272-H278 WeakPolarHBondContact CA-ND1 3.42Å; N274-H278 PolarHBondContact O-N 2.98Å; H278-D280 VanDerWaalsContact C-N 3.32Å; H278-D280 PolarHBondContact O-N 3.16Å; H278-E281 PolarHBondContact O-N 3.49Å; H278-V282 VanDerWaalsContact CE1-CG2 3.47Å; H278-V282 WeakPolarHBondContact CE1-CG2 3.36Å; H278-V282 WeakPolarHBondContact O-CB 3.34Å; H278-V282 VanDerWaalsContact O-CG2 3.25Å; H278-V282 WeakPolarHBondContact O-CG2 3.38Å; H278-V282 PolarHBondContact O-N 3.41Å
279	Q	82.5	Confident	79.6	Confident	87 Å²	87	82.3 Å²	82.3	41%	0.407	42%	0.415	S	S	.	.	H	α-helix	trans	-63.6	-37.4	-179.1	-61.5	-166.1	8.3	0	0	112.9	R277 R283 F307	R277-Q279 PolarHBondContact O-N 3.21Å; Q279-R283 WeakPolarHBondContact O-CB 3.39Å; Q279-R283 VanDerWaalsContact O-CG 3.28Å; Q279-R283 WeakPolarHBondContact O-CG 3.29Å; Q279-R283 PolarHBondContact O-N 3.06Å; Q279-F307 HydrophobicContact CB-CD2 4.48Å; Q279-F307 HydrophobicContact CB-CE1 4.2Å; Q279-F307 HydrophobicContact CB-CE2 3.98Å; Q279-F307 HydrophobicContact CB-CZ 3.82Å; Q279-F307 HydrophobicContact CG-CD1 3.94Å; Q279-F307 HydrophobicContact CG-CD2 4.22Å; Q279-F307 HydrophobicContact CG-CE1 3.86Å; Q279-F307 HydrophobicContact CG-CE2 4.14Å; Q279-F307 HydrophobicContact CG-CG 4.11Å; Q279-F307 HydrophobicContact CG-CZ 3.95Å
280	D	81	Confident	79.6	Confident	99 Å²	99	77.9 Å²	77.9	53%	0.529	40%	0.403	S	S	.	.	H	α-helix	trans	-77.1	-39.2	-177.9	-67.7	-21.4	0	0	0	111.3	R277 H278 V282 R283 V284	R277-D280 PolarHBondContact O-N 3.14Å; H278-D280 VanDerWaalsContact C-N 3.32Å; H278-D280 PolarHBondContact O-N 3.16Å; D280-V282 VanDerWaalsContact C-N 3.33Å; D280-R283 PolarHBondContact O-N 2.66Å; D280-R283 IonicContact OD1-NH1 2.67Å; D280-V284 WeakPolarHBondContact O-CB 3.4Å; D280-V284 VanDerWaalsContact O-CG2 3.27Å; D280-V284 WeakPolarHBondContact O-CG2 3.46Å; D280-V284 PolarHBondContact O-N 2.78Å
281	E	82.4	Confident	79.9	Confident	69 Å²	69	70.9 Å²	70.9	32%	0.322	38%	0.377	S	S	.	.	H	α-helix	trans	-62.4	-40.8	171.3	-72.2	-179.8	-155.3	0	0	111.4	C271 R277 H278 N285	C271-E281 HydrophobicContact CB-CB 4.35Å; R277-E281 HydrophobicContact CB-CG 4.26Å; R277-E281 WeakPolarHBondContact CB-OE1 3.42Å; R277-E281 PolarHBondContact O-N 2.93Å; H278-E281 PolarHBondContact O-N 3.49Å; E281-N285 WeakPolarHBondContact O-CB 3.07Å; E281-N285 PolarHBondContact O-N 3.17Å; E281-N285 VanDerWaalsContact O-N 3.08Å; E281-N285 PolarHBondContact O-ND2 2.95Å
282	V	85.4	Confident	80.3	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-60.3	-51.3	171	165.8	0	0	0	0	110.8	M268 C271 H278 D280 V284 N285 V286 V305 F307	M268-V282 HydrophobicContact CB-CG2 4.35Å; M268-V282 HydrophobicContact CE-CG1 3.78Å; M268-V282 HydrophobicContact CG-CG1 3.86Å; M268-V282 HydrophobicContact CG-CG2 4.18Å; C271-V282 HydrophobicContact CB-CG2 3.66Å; H278-V282 VanDerWaalsContact CE1-CG2 3.47Å; H278-V282 WeakPolarHBondContact CE1-CG2 3.36Å; H278-V282 WeakPolarHBondContact O-CB 3.34Å; H278-V282 VanDerWaalsContact O-CG2 3.25Å; H278-V282 WeakPolarHBondContact O-CG2 3.38Å; H278-V282 PolarHBondContact O-N 3.41Å; D280-V282 VanDerWaalsContact C-N 3.33Å; V282-V284 PolarHBondContact O-N 3.13Å; V282-N285 PolarHBondContact O-N 3.11Å; V282-V286 HydrophobicContact CG1-CG2 4.15Å; V282-V286 WeakPolarHBondContact O-CB 3.34Å; V282-V286 WeakPolarHBondContact O-CG2 3.32Å; V282-V286 PolarHBondContact O-N 2.79Å; V282-V305 HydrophobicContact CG1-CG1 4.48Å; V282-F307 HydrophobicContact CB-CZ 4.09Å; V282-F307 HydrophobicContact CG1-CE1 4.32Å; V282-F307 HydrophobicContact CG1-CZ 3.76Å
283	R	84.6	Confident	81.3	Confident	68 Å²	68	67.4 Å²	67.4	26%	0.257	35%	0.353	S	S	.	.	H	α-helix	trans	-58.2	-45.1	178.7	-76.8	173.7	-178.3	114.9	8.4	111.7	Q279 D280 N285 V286 L287 F307	Q279-R283 WeakPolarHBondContact O-CB 3.39Å; Q279-R283 VanDerWaalsContact O-CG 3.28Å; Q279-R283 WeakPolarHBondContact O-CG 3.29Å; Q279-R283 PolarHBondContact O-N 3.06Å; D280-R283 PolarHBondContact O-N 2.66Å; D280-R283 IonicContact OD1-NH1 2.67Å; R283-N285 VanDerWaalsContact C-N 3.31Å; R283-N285 PolarHBondContact O-N 3.15Å; R283-V286 PolarHBondContact O-N 3.43Å; R283-L287 HydrophobicContact CB-CD1 3.87Å; R283-L287 HydrophobicContact CB-CG 4.24Å; R283-L287 HydrophobicContact CG-CD1 4.18Å; R283-L287 VanDerWaalsContact O-CB 3.26Å; R283-L287 WeakPolarHBondContact O-CB 3.48Å; R283-L287 WeakPolarHBondContact O-CG 3.22Å; R283-L287 PolarHBondContact O-N 2.87Å; R283-F307 HydrophobicContact CG-CE2 4.43Å; R283-F307 VanDerWaalsContact NH2-CD2 3.3Å
284	V	81.8	Confident	81.9	Confident	122 Å²	122	62.7 Å²	62.7	74%	0.739	33%	0.333	S	S	*	.	H	α-helix	trans	-61.8	-36.9	178.5	167.6	0	0	0	0	112.4	D280 V282	D280-V284 WeakPolarHBondContact O-CB 3.4Å; D280-V284 VanDerWaalsContact O-CG2 3.27Å; D280-V284 WeakPolarHBondContact O-CG2 3.46Å; D280-V284 PolarHBondContact O-N 2.78Å; V282-V284 PolarHBondContact O-N 3.13Å
285	N	82.6	Confident	82.5	Confident	85 Å²	85	61.3 Å²	61.3	46%	0.455	32%	0.323	S	S	.	.	H	α-helix	trans	-85.9	-29.1	-178.9	-77.7	-79.3	0	0	0	114.4	I267 E281 V282 R283 L289	I267-N285 HydrophobicContact CG2-CB 4.32Å; E281-N285 WeakPolarHBondContact O-CB 3.07Å; E281-N285 PolarHBondContact O-N 3.17Å; E281-N285 VanDerWaalsContact O-N 3.08Å; E281-N285 PolarHBondContact O-ND2 2.95Å; V282-N285 PolarHBondContact O-N 3.11Å; R283-N285 VanDerWaalsContact C-N 3.31Å; R283-N285 PolarHBondContact O-N 3.15Å; N285-L289 WeakPolarHBondContact O-CD1 3.49Å
286	V	87.3	Confident	83.2	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-101.3	-32.6	-169.5	173.2	0	0	0	0	113.4	I264 I267 M268 V282 R283 L289 I302 V305 L344	I264-V286 HydrophobicContact CD1-CG1 4.25Å; I264-V286 HydrophobicContact CG2-CG1 3.82Å; I264-V286 HydrophobicContact CG2-CG2 4.04Å; I267-V286 HydrophobicContact CG2-CG2 4.16Å; M268-V286 HydrophobicContact CG-CG2 4.43Å; V282-V286 HydrophobicContact CG1-CG2 4.15Å; V282-V286 WeakPolarHBondContact O-CB 3.34Å; V282-V286 WeakPolarHBondContact O-CG2 3.32Å; V282-V286 PolarHBondContact O-N 2.79Å; R283-V286 PolarHBondContact O-N 3.43Å; V286-L289 WeakPolarHBondContact O-CB 3.38Å; V286-L289 WeakPolarHBondContact O-CG 3.3Å; V286-L289 PolarHBondContact O-N 3.03Å; V286-I302 HydrophobicContact CG1-CD1 3.48Å; V286-I302 VanDerWaalsContact CG1-CD1 3.48Å; V286-I302 HydrophobicContact CG1-CG2 4.16Å; V286-V305 HydrophobicContact CG1-CG2 4Å; V286-L344 HydrophobicContact CG1-CD2 4.14Å
287	L	86.3	Confident	83.5	Confident	54 Å²	54	54.2 Å²	54.2	28%	0.283	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	146.9	-176.7	-63.1	-179.1	0	0	0	112.5	R283 L289 I302 D304 V305	R283-L287 HydrophobicContact CB-CD1 3.87Å; R283-L287 HydrophobicContact CB-CG 4.24Å; R283-L287 HydrophobicContact CG-CD1 4.18Å; R283-L287 VanDerWaalsContact O-CB 3.26Å; R283-L287 WeakPolarHBondContact O-CB 3.48Å; R283-L287 WeakPolarHBondContact O-CG 3.22Å; R283-L287 PolarHBondContact O-N 2.87Å; L287-L289 PolarHBondContact O-N 3.18Å; L287-L289 VanDerWaalsContact O-N 3.12Å; L287-I302 HydrophobicContact CD2-CG2 4.07Å; L287-D304 VanDerWaalsContact CD2-CA 3.48Å; L287-V305 HydrophobicContact CD2-CG2 4.16Å
288	D	80.3	Confident	83.8	Confident	54 Å²	54	53.6 Å²	53.6	29%	0.289	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	0.9	-171.6	-81.6	-15.3	0	0	0	116.2	R301 I302 R622	D288-R301 IonicContact OD1-CZ 3.17Å; D288-R301 IonicContact OD1-NE 3.68Å; D288-R301 PolarHBondContact OD1-NE 3.27Å; D288-R301 IonicContact OD1-NH2 2.68Å; D288-R301 PolarHBondContact OD1-NH2 3.41Å; D288-R301 IonicContact OD2-NH2 2.67Å; D288-R301 PolarHBondContact OD2-NH2 2.71Å; D288-I302 WeakPolarHBondContact CA-O 3.49Å; D288-I302 PolarHBondContact N-O 3.16Å; D288-R622 VanDerWaalsContact CB-NH1 3.34Å; D288-R622 IonicContact OD2-CZ 2.79Å; D288-R622 IonicContact OD2-NH1 2.7Å; D288-R622 PolarHBondContact OD2-NH1 3.29Å
289	L	86	Confident	84	Confident	39 Å²	39	53.4 Å²	53.4	20%	0.204	27%	0.266	C	S	.	.			trans	-63.8	145.1	167	-66.2	-173.3	0	0	0	110.8	I264 N285 V286 L287 R301 I302 V370	I264-L289 HydrophobicContact CD1-CD1 3.93Å; N285-L289 WeakPolarHBondContact O-CD1 3.49Å; V286-L289 WeakPolarHBondContact O-CB 3.38Å; V286-L289 WeakPolarHBondContact O-CG 3.3Å; V286-L289 PolarHBondContact O-N 3.03Å; L287-L289 PolarHBondContact O-N 3.18Å; L287-L289 VanDerWaalsContact O-N 3.12Å; L289-R301 WeakPolarHBondContact O-CA 3.26Å; L289-I302 PolarHBondContact O-N 3.44Å; L289-V370 HydrophobicContact CD1-CG1 4.15Å; L289-V370 HydrophobicContact CD1-CG2 4.02Å
290	I	86.5	Confident	84.2	Confident	80 Å²	80	51 Å²	51	41%	0.41	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	115.7	168.8	-59.2	176.1	0	0	0	107.8	T299 Y300 R301 T371	I290-T299 HydrophobicContact CG2-CG2 4.25Å; I290-Y300 CarbonylContact C-O 3.55Å; I290-Y300 VanDerWaalsContact CA-O 3.32Å; I290-Y300 WeakPolarHBondContact CA-O 3.36Å; I290-R301 HydrophobicContact CG1-CB 4.44Å; I290-T371 WeakPolarHBondContact O-CB 3.37Å; I290-T371 WeakPolarHBondContact O-CG2 3.39Å; I290-T371 PolarHBondContact O-N 3.4Å; I290-T371 PolarHBondContact O-OG1 2.95Å
291	V	89.6	Confident	84.5	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	153.2	175.2	-68.1	0	0	0	0	111.3	I264 T299 Y300 I302 L363 C368 R369	I264-V291 HydrophobicContact CD1-CG1 3.62Å; I264-V291 HydrophobicContact CG1-CG1 3.49Å; I264-V291 VanDerWaalsContact CG1-CG1 3.49Å; V291-T299 CarbonylContact O-C 3.55Å; V291-T299 WeakPolarHBondContact O-CA 3.19Å; V291-Y300 PolarHBondContact N-O 2.83Å; V291-Y300 PolarHBondContact O-N 2.94Å; V291-I302 HydrophobicContact CG1-CD1 3.81Å; V291-I302 HydrophobicContact CG1-CG1 4.39Å; V291-I302 HydrophobicContact CG2-CD1 4.49Å; V291-I302 HydrophobicContact CG2-CG1 4.28Å; V291-L363 HydrophobicContact CG2-CD1 4.44Å; V291-C368 HydrophobicContact CB-CB 3.99Å; V291-C368 HydrophobicContact CG1-CB 4.08Å; V291-C368 HydrophobicContact CG2-CB 4.13Å; V291-R369 CarbonylContact C-O 3.27Å; V291-R369 VanDerWaalsContact CA-O 3.22Å; V291-R369 WeakPolarHBondContact CA-O 3.22Å
292	L	88.1	Confident	84.9	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	144.2	162.1	-167	78.1	0	0	0	108.6	V213 W234 M259 N297 R298 T299 C368 R369 T371	V213-L292 HydrophobicContact CG1-CD1 3.87Å; W234-L292 HydrophobicContact CH2-CD2 3.56Å; W234-L292 HydrophobicContact CZ2-CD2 4.24Å; W234-L292 HydrophobicContact CZ3-CD2 3.97Å; M259-L292 HydrophobicContact CE-CB 3.53Å; M259-L292 HydrophobicContact CE-CD2 3.59Å; M259-L292 HydrophobicContact CE-CG 4.18Å; M259-L292 HydrophobicContact SD-CB 4.34Å; M259-L292 HydrophobicContact SD-CD2 4.07Å; L292-N297 WeakPolarHBondContact CD1-O 3.41Å; L292-R298 WeakPolarHBondContact CA-O 3.47Å; L292-T299 HydrophobicContact CD1-CG2 3.64Å; L292-C368 WeakPolarHBondContact O-CA 3.4Å; L292-R369 PolarHBondContact N-O 2.93Å; L292-R369 PolarHBondContact O-N 3.46Å; L292-T371 HydrophobicContact CB-CG2 3.97Å
293	T	88.9	Confident	85	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	105.9	167.8	43.8	0	0	0	0	110.4	Y295 N296 N297 R298 Y300 L363	T293-Y295 VanDerWaalsContact CB-CE1 3.45Å; T293-Y295 HydrophobicContact CG2-CE1 3.7Å; T293-Y295 WeakPolarHBondContact CG2-OH 3.29Å; T293-Y295 PolarHBondContact O-N 2.77Å; T293-N296 PolarHBondContact O-N 3.22Å; T293-N296 PolarHBondContact O-OD1 3.33Å; T293-N296 PolarHBondContact OG1-OD1 2.98Å; T293-N297 PolarHBondContact O-N 3.43Å; T293-R298 PolarHBondContact N-O 3.49Å; T293-R298 PolarHBondContact OG1-O 2.98Å; T293-Y300 HydrophobicContact CG2-CD2 4.2Å; T293-Y300 HydrophobicContact CG2-CE2 4.27Å; T293-Y300 WeakPolarHBondContact OG1-CE2 3.44Å; T293-L363 HydrophobicContact CG2-CD2 4.27Å
294	D	79.3	Confident	85.2	Confident	67 Å²	67	51.1 Å²	51.1	36%	0.358	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-26	-169.2	-70.8	18.9	0	0	0	113.6	N296 R369	D294-N296 VanDerWaalsContact C-N 3.26Å; D294-N296 PolarHBondContact O-N 2.71Å; D294-R369 WeakPolarHBondContact OD1-CD 3.45Å; D294-R369 WeakPolarHBondContact OD2-CD 3.41Å; D294-R369 IonicContact OD2-CZ 2.99Å; D294-R369 IonicContact OD2-NE 3.18Å; D294-R369 IonicContact OD2-NH1 3.95Å; D294-R369 PolarHBondContact OD2-NH1 2.89Å
295	Y	83.8	Confident	85.7	Confident	36 Å²	36	45.4 Å²	45.4	14%	0.141	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-6.8	178.9	60.5	-99.6	0	0	0	115.2	T293 Y328 Y332 I334 L367	T293-Y295 VanDerWaalsContact CB-CE1 3.45Å; T293-Y295 HydrophobicContact CG2-CE1 3.7Å; T293-Y295 WeakPolarHBondContact CG2-OH 3.29Å; T293-Y295 PolarHBondContact O-N 2.77Å; Y295-Y328 HydrophobicContact CD1-CE1 4.45Å; Y295-Y328 HydrophobicContact CD2-CE1 4.43Å; Y295-Y328 HydrophobicContact CE1-CD1 4.4Å; Y295-Y328 AromaticContact CE1-CE1 3.8Å; Y295-Y328 HydrophobicContact CE1-CE1 3.8Å; Y295-Y328 AromaticContact CE2-CE1 3.77Å; Y295-Y328 HydrophobicContact CE2-CE1 3.77Å; Y295-Y328 AromaticContact CZ-CE1 3.43Å; Y295-Y328 VanDerWaalsContact CZ-CE1 3.43Å; Y295-Y328 PolarHBondContact OH-OH 3.05Å; Y295-Y332 AromaticContact CD2-CD1 3.86Å; Y295-Y332 HydrophobicContact CD2-CD1 3.86Å; Y295-Y332 AromaticContact CD2-CD2 3.98Å; Y295-Y332 HydrophobicContact CD2-CD2 3.98Å; Y295-Y332 AromaticContact CD2-CE1 3.63Å; Y295-Y332 HydrophobicContact CD2-CE1 3.63Å; Y295-Y332 AromaticContact CD2-CE2 3.74Å; Y295-Y332 HydrophobicContact CD2-CE2 3.74Å; Y295-Y332 HydrophobicContact CD2-CG 4.02Å; Y295-Y332 AromaticContact CD2-CZ 3.55Å; Y295-Y332 HydrophobicContact CE2-CD2 4.45Å; Y295-Y332 HydrophobicContact CE2-CE1 4.3Å; Y295-Y332 AromaticContact CE2-CE2 3.86Å; Y295-Y332 HydrophobicContact CE2-CE2 3.86Å; Y295-Y332 AromaticContact CE2-CZ 3.76Å; Y295-Y332 HydrophobicContact CG-CD1 4.41Å; Y295-Y332 HydrophobicContact CG-CD2 4.49Å; Y295-Y332 HydrophobicContact CG-CG 4.35Å; Y295-I334 VanDerWaalsContact CB-CD1 3.46Å; Y295-I334 HydrophobicContact CD1-CD1 4.39Å; Y295-I334 HydrophobicContact CG-CD1 4.25Å; Y295-L367 HydrophobicContact CD1-CB 4.14Å; Y295-L367 HydrophobicContact CD1-CD1 4.35Å; Y295-L367 HydrophobicContact CE1-CB 3.85Å; Y295-L367 HydrophobicContact CE1-CD1 4.21Å
296	N	82.8	Confident	86.1	Confident	38 Å²	38	43.3 Å²	43.3	20%	0.203	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-153.6	6.5	176.9	69.3	15.8	0	0	0	115.2	T293 D294 R298	T293-N296 PolarHBondContact O-N 3.22Å; T293-N296 PolarHBondContact O-OD1 3.33Å; T293-N296 PolarHBondContact OG1-OD1 2.98Å; D294-N296 VanDerWaalsContact C-N 3.26Å; D294-N296 PolarHBondContact O-N 2.71Å; N296-R298 HydrophobicContact CB-CG 4.46Å; N296-R298 PolarHBondContact O-N 2.77Å; N296-R298 VanDerWaalsContact OD1-CB 3.26Å; N296-R298 WeakPolarHBondContact OD1-CB 3.35Å; N296-R298 WeakPolarHBondContact OD1-CG 3.45Å; N296-R298 PolarHBondContact OD1-N 3.19Å
297	N	78.1	Confident	86.3	Confident	23 Å²	23	45.9 Å²	45.9	12%	0.123	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	21.7	-178.7	-60	-57.8	0	0	0	116	E211 W234 L292 T293	E211-N297 HydrophobicContact CB-CB 4.29Å; E211-N297 HydrophobicContact CG-CB 4.26Å; E211-N297 WeakPolarHBondContact CG-ND2 3.46Å; E211-N297 PolarHBondContact OE1-ND2 2.83Å; E211-N297 WeakPolarHBondContact OE2-CB 3.3Å; E211-N297 PolarHBondContact OE2-ND2 2.77Å; E211-N297 VanDerWaalsContact OE2-ND2 3.11Å; W234-N297 WeakPolarHBondContact CH2-OD1 3.08Å; L292-N297 WeakPolarHBondContact CD1-O 3.41Å; T293-N297 PolarHBondContact O-N 3.43Å
298	R	82.3	Confident	86.5	Confident	154 Å²	154	46.7 Å²	46.7	58%	0.581	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	143.3	176.5	-63.8	-177.1	179.2	-161.7	-3.4	111.4	L292 T293 N296 Y300	L292-R298 WeakPolarHBondContact CA-O 3.47Å; T293-R298 PolarHBondContact N-O 3.49Å; T293-R298 PolarHBondContact OG1-O 2.98Å; N296-R298 HydrophobicContact CB-CG 4.46Å; N296-R298 PolarHBondContact O-N 2.77Å; N296-R298 VanDerWaalsContact OD1-CB 3.26Å; N296-R298 WeakPolarHBondContact OD1-CB 3.35Å; N296-R298 WeakPolarHBondContact OD1-CG 3.45Å; N296-R298 PolarHBondContact OD1-N 3.19Å; R298-Y300 HydrophobicContact CB-CD2 4.37Å; R298-Y300 HydrophobicContact CB-CE2 3.59Å; R298-Y300 WeakPolarHBondContact CD-OH 3.38Å
299	T	83.9	Confident	87.1	Confident	47 Å²	47	47.2 Å²	47.2	29%	0.288	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	134.5	172.7	53.2	0	0	0	0	112.1	V213 I290 V291 L292 T371	V213-T299 HydrophobicContact CG1-CG2 3.61Å; I290-T299 HydrophobicContact CG2-CG2 4.25Å; V291-T299 CarbonylContact O-C 3.55Å; V291-T299 WeakPolarHBondContact O-CA 3.19Å; L292-T299 HydrophobicContact CD1-CG2 3.64Å; T299-T371 HydrophobicContact CG2-CG2 4.46Å
300	Y	87.1	Confident	87.5	Confident	37 Å²	37	47.1 Å²	47.1	15%	0.145	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146.6	177.9	-62.3	-85.9	0	0	0	110.1	I290 V291 T293 R298 V361 L363	I290-Y300 CarbonylContact C-O 3.55Å; I290-Y300 VanDerWaalsContact CA-O 3.32Å; I290-Y300 WeakPolarHBondContact CA-O 3.36Å; V291-Y300 PolarHBondContact N-O 2.83Å; V291-Y300 PolarHBondContact O-N 2.94Å; T293-Y300 HydrophobicContact CG2-CD2 4.2Å; T293-Y300 HydrophobicContact CG2-CE2 4.27Å; T293-Y300 WeakPolarHBondContact OG1-CE2 3.44Å; R298-Y300 HydrophobicContact CB-CD2 4.37Å; R298-Y300 HydrophobicContact CB-CE2 3.59Å; R298-Y300 WeakPolarHBondContact CD-OH 3.38Å; Y300-V361 HydrophobicContact CD1-CB 4.49Å; Y300-V361 HydrophobicContact CD1-CG1 4.27Å; Y300-V361 HydrophobicContact CE1-CB 4.26Å; Y300-V361 HydrophobicContact CE1-CG1 3.79Å; Y300-V361 HydrophobicContact CE1-CG2 4.18Å; Y300-L363 HydrophobicContact CD1-CD1 4.3Å; Y300-L363 HydrophobicContact CD2-CD1 3.68Å; Y300-L363 HydrophobicContact CD2-CD2 4.24Å; Y300-L363 HydrophobicContact CE2-CD1 4.4Å; Y300-L363 HydrophobicContact CE2-CD2 4.15Å; Y300-L363 HydrophobicContact CG-CD1 3.61Å
301	R	87.8	Confident	88	Confident	125 Å²	125	43.3 Å²	43.3	47%	0.472	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	124.1	171.8	177.3	176.1	172.8	171.2	-2	108.2	D288 L289 I290 N303 S346	D288-R301 IonicContact OD1-CZ 3.17Å; D288-R301 IonicContact OD1-NE 3.68Å; D288-R301 PolarHBondContact OD1-NE 3.27Å; D288-R301 IonicContact OD1-NH2 2.68Å; D288-R301 PolarHBondContact OD1-NH2 3.41Å; D288-R301 IonicContact OD2-NH2 2.67Å; D288-R301 PolarHBondContact OD2-NH2 2.71Å; L289-R301 WeakPolarHBondContact O-CA 3.26Å; I290-R301 HydrophobicContact CG1-CB 4.44Å; R301-N303 PolarHBondContact O-N 2.91Å; R301-N303 PolarHBondContact O-OD1 3.41Å; R301-S346 WeakPolarHBondContact O-CB 3.45Å
302	I	89.8	Confident	88.3	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	25%	0.249	C	C	.	.			trans	-73.8	123.2	179	-51.7	171.6	0	0	0	108.2	I264 V286 L287 D288 L289 V291 D304 V305 L344	I264-I302 HydrophobicContact CD1-CD1 3.8Å; I264-I302 HydrophobicContact CG1-CD1 3.98Å; V286-I302 HydrophobicContact CG1-CD1 3.48Å; V286-I302 VanDerWaalsContact CG1-CD1 3.48Å; V286-I302 HydrophobicContact CG1-CG2 4.16Å; L287-I302 HydrophobicContact CD2-CG2 4.07Å; D288-I302 WeakPolarHBondContact CA-O 3.49Å; D288-I302 PolarHBondContact N-O 3.16Å; L289-I302 PolarHBondContact O-N 3.44Å; V291-I302 HydrophobicContact CG1-CD1 3.81Å; V291-I302 HydrophobicContact CG1-CG1 4.39Å; V291-I302 HydrophobicContact CG2-CD1 4.49Å; V291-I302 HydrophobicContact CG2-CG1 4.28Å; I302-D304 VanDerWaalsContact CG2-O 3.32Å; I302-D304 WeakPolarHBondContact CG2-O 3.36Å; I302-V305 HydrophobicContact CG2-CG2 4.37Å; I302-L344 HydrophobicContact CD1-CD1 3.84Å; I302-L344 HydrophobicContact CD1-CD2 4.27Å; I302-L344 HydrophobicContact CG1-CD1 4.4Å; I302-L344 HydrophobicContact CG2-CB 4.38Å; I302-L344 HydrophobicContact CG2-CD2 4.38Å
303	N	87.8	Confident	88.6	Confident	49 Å²	49	51 Å²	51	26%	0.262	26%	0.259	S	S	.	.			trans	-108.8	-25.4	179.3	-63.3	127.2	0	0	0	112.9	R301 I345 K347	R301-N303 PolarHBondContact O-N 2.91Å; R301-N303 PolarHBondContact O-OD1 3.41Å; N303-I345 PolarHBondContact N-O 3.48Å; N303-K347 PolarHBondContact OD1-N 2.94Å; N303-K347 PolarHBondContact OD1-O 3.46Å
304	D	89.8	Confident	88.7	Confident	62 Å²	62	55.2 Å²	55.2	33%	0.332	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	167.4	171.6	-138.2	-33.8	0	0	0	111.3	L287 I302 I345	L287-D304 VanDerWaalsContact CD2-CA 3.48Å; I302-D304 VanDerWaalsContact CG2-O 3.32Å; I302-D304 WeakPolarHBondContact CG2-O 3.36Å; D304-I345 HydrophobicContact CB-CB 3.94Å; D304-I345 HydrophobicContact CB-CD1 4.42Å; D304-I345 HydrophobicContact CB-CG2 4.34Å; D304-I345 PolarHBondContact N-O 3.19Å; D304-I345 VanDerWaalsContact N-O 3.14Å; D304-I345 PolarHBondContact O-N 2.91Å
305	V	91.4	Very high	89.2	Confident	3 Å²	3	54.8 Å²	54.8	2%	0.018	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	118.3	169.3	-178.4	0	0	0	0	108.4	M268 V282 V286 L287 I302 F307 P342 L344	M268-V305 HydrophobicContact CE-CG1 3.61Å; M268-V305 HydrophobicContact CE-CG2 4.2Å; V282-V305 HydrophobicContact CG1-CG1 4.48Å; V286-V305 HydrophobicContact CG1-CG2 4Å; L287-V305 HydrophobicContact CD2-CG2 4.16Å; I302-V305 HydrophobicContact CG2-CG2 4.37Å; V305-F307 HydrophobicContact CB-CD2 4.43Å; V305-F307 HydrophobicContact CB-CE2 3.78Å; V305-F307 HydrophobicContact CB-CZ 4.22Å; V305-F307 HydrophobicContact CG1-CD2 4Å; V305-F307 HydrophobicContact CG1-CE1 4.2Å; V305-F307 HydrophobicContact CG1-CE2 3.5Å; V305-F307 HydrophobicContact CG1-CZ 3.63Å; V305-F307 WeakPolarHBondContact O-CD2 3.46Å; V305-P342 HydrophobicContact CG1-CB 4.05Å; V305-P342 HydrophobicContact CG1-CG 4.25Å; V305-L344 HydrophobicContact CG1-CD2 4.48Å; V305-L344 HydrophobicContact CG2-CD2 4Å
306	D	92.1	Very high	89.4	Confident	40 Å²	40	56.7 Å²	56.7	21%	0.214	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	116.3	177.7	-169.2	-23.7	0	0	0	109.5	G308 Q309 P342 L343 I345	D306-G308 WeakPolarHBondContact OD1-CA 3.42Å; D306-G308 PolarHBondContact OD1-N 3.18Å; D306-Q309 PolarHBondContact OD1-N 2.83Å; D306-Q309 VanDerWaalsContact OD1-N 3.1Å; D306-Q309 PolarHBondContact OD2-NE2 3.12Å; D306-P342 WeakPolarHBondContact O-CA 3.42Å; D306-P342 WeakPolarHBondContact O-CB 3.47Å; D306-L343 PolarHBondContact N-O 3.27Å; D306-L343 PolarHBondContact O-N 2.92Å; D306-I345 HydrophobicContact CB-CD1 3.96Å; D306-I345 HydrophobicContact CB-CG1 4.37Å
307	F	90	Very high	89.2	Confident	54 Å²	54	57 Å²	57	24%	0.237	30%	0.303	C	S	.	.	S	Bend	trans	-99.8	-2.1	177.8	-61.9	-98.6	0	0	0	112.7	Q279 V282 R283 V305 P342	Q279-F307 HydrophobicContact CB-CD2 4.48Å; Q279-F307 HydrophobicContact CB-CE1 4.2Å; Q279-F307 HydrophobicContact CB-CE2 3.98Å; Q279-F307 HydrophobicContact CB-CZ 3.82Å; Q279-F307 HydrophobicContact CG-CD1 3.94Å; Q279-F307 HydrophobicContact CG-CD2 4.22Å; Q279-F307 HydrophobicContact CG-CE1 3.86Å; Q279-F307 HydrophobicContact CG-CE2 4.14Å; Q279-F307 HydrophobicContact CG-CG 4.11Å; Q279-F307 HydrophobicContact CG-CZ 3.95Å; V282-F307 HydrophobicContact CB-CZ 4.09Å; V282-F307 HydrophobicContact CG1-CE1 4.32Å; V282-F307 HydrophobicContact CG1-CZ 3.76Å; R283-F307 HydrophobicContact CG-CE2 4.43Å; R283-F307 VanDerWaalsContact NH2-CD2 3.3Å; V305-F307 HydrophobicContact CB-CD2 4.43Å; V305-F307 HydrophobicContact CB-CE2 3.78Å; V305-F307 HydrophobicContact CB-CZ 4.22Å; V305-F307 HydrophobicContact CG1-CD2 4Å; V305-F307 HydrophobicContact CG1-CE1 4.2Å; V305-F307 HydrophobicContact CG1-CE2 3.5Å; V305-F307 HydrophobicContact CG1-CZ 3.63Å; V305-F307 WeakPolarHBondContact O-CD2 3.46Å; F307-P342 HydrophobicContact CD1-CB 3.85Å; F307-P342 HydrophobicContact CD1-CG 4.17Å; F307-P342 HydrophobicContact CE1-CB 4.31Å; F307-P342 HydrophobicContact CE1-CG 4.22Å; F307-P342 HydrophobicContact CG-CB 4.21Å
308	G	91.2	Very high	89	Confident	72 Å²	72	66.3 Å²	66.3	74%	0.742	34%	0.342	S	S	*	.	S	Bend	trans	-91.1	-22.8	174	0	0	0	0	0	113.1	D306	D306-G308 WeakPolarHBondContact OD1-CA 3.42Å; D306-G308 PolarHBondContact OD1-N 3.18Å
309	Q	93.3	Very high	88.9	Confident	64 Å²	64	62.3 Å²	62.3	30%	0.299	35%	0.349	S	S	.	.			trans	-101.7	155.1	173.7	-66.3	-174.1	78	0	0	112.8	D306 L343	D306-Q309 PolarHBondContact OD1-N 2.83Å; D306-Q309 VanDerWaalsContact OD1-N 3.1Å; D306-Q309 PolarHBondContact OD2-NE2 3.12Å; Q309-L343 HydrophobicContact CB-CD1 3.61Å; Q309-L343 HydrophobicContact CB-CG 4.15Å
310	T	95.3	Very high	89	Confident	38 Å²	38	69.7 Å²	69.7	23%	0.233	37%	0.372	C	S	.	.			trans	-138.9	170.9	-178.1	63.1	0	0	0	0	110.4	K312 S313 H339	T310-K312 PolarHBondContact O-N 3.45Å; T310-K312 PolarHBondContact OG1-N 2.82Å; T310-S313 PolarHBondContact N-OG 2.99Å; T310-S313 VanDerWaalsContact N-OG 3.1Å; T310-S313 WeakPolarHBondContact O-CB 3.33Å; T310-S313 PolarHBondContact O-N 2.75Å; T310-S313 PolarHBondContact O-OG 3.47Å; T310-H339 WeakPolarHBondContact CB-O 3.42Å
311	P	96	Very high	89.1	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-22	171.7	-31.2	36.4	0	0	0	116	S313 F324 V325 I336 Q341 L343 I364	P311-S313 VanDerWaalsContact C-N 3.34Å; P311-F324 WeakPolarHBondContact O-CB 3.27Å; P311-F324 PolarHBondContact O-N 3.06Å; P311-V325 HydrophobicContact CB-CG2 3.87Å; P311-V325 PolarHBondContact O-N 2.79Å; P311-I336 HydrophobicContact CB-CD1 3.9Å; P311-I336 HydrophobicContact CB-CG2 4.14Å; P311-I336 HydrophobicContact CG-CD1 4.45Å; P311-I336 HydrophobicContact CG-CG2 4.01Å; P311-Q341 VanDerWaalsContact CD-O 3.25Å; P311-Q341 WeakPolarHBondContact CD-O 3.17Å; P311-Q341 HydrophobicContact CG-CG 3.75Å; P311-L343 HydrophobicContact CG-CD2 4.45Å; P311-I364 HydrophobicContact CB-CD1 4.43Å; P311-I364 HydrophobicContact CG-CD1 4.18Å
312	K	94.9	Very high	89.4	Confident	130 Å²	130	69.2 Å²	69.2	57%	0.565	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-18.9	174.3	-70.2	172.6	170.9	169.7	0	113.4	T310 H339	T310-K312 PolarHBondContact O-N 3.45Å; T310-K312 PolarHBondContact OG1-N 2.82Å; K312-H339 HydrophobicContact CD-CB 4.35Å; K312-H339 HydrophobicContact CG-CB 4.32Å
313	S	94.3	Very high	89.7	Confident	30 Å²	30	69.6 Å²	69.6	21%	0.21	38%	0.383	C	S	.	.			trans	-62.5	147.9	175.6	-58.3	0	0	0	0	110.9	T310 P311 F324	T310-S313 PolarHBondContact N-OG 2.99Å; T310-S313 VanDerWaalsContact N-OG 3.1Å; T310-S313 WeakPolarHBondContact O-CB 3.33Å; T310-S313 PolarHBondContact O-N 2.75Å; T310-S313 PolarHBondContact O-OG 3.47Å; P311-S313 VanDerWaalsContact C-N 3.34Å; S313-F324 WeakPolarHBondContact O-CD2 3.42Å; S313-F324 PolarHBondContact O-N 2.81Å
314	T	92.2	Very high	90	Very high	90 Å²	90	67.6 Å²	67.6	55%	0.552	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.5	157	-178.4	52	0	0	0	0	112.2	I322	T314-I322 VanDerWaalsContact CA-O 3.3Å; T314-I322 WeakPolarHBondContact CA-O 3.25Å
315	F	90.1	Very high	90.3	Very high	57 Å²	57	66.2 Å²	66.2	25%	0.25	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	152.4	169.9	73.6	-79.6	0	0	0	110.9	C317 I322 F324 Y327	F315-C317 HydrophobicContact CD2-CB 4.48Å; F315-C317 HydrophobicContact CE2-CB 3.92Å; F315-C317 HydrophobicContact CZ-CB 4.44Å; F315-C317 PolarHBondContact O-N 2.64Å; F315-I322 HydrophobicContact CD1-CG2 4.38Å; F315-I322 HydrophobicContact CE1-CG2 3.91Å; F315-I322 HydrophobicContact CZ-CG2 3.99Å; F315-I322 PolarHBondContact N-O 3.05Å; F315-I322 PolarHBondContact O-N 3.09Å; F315-I322 VanDerWaalsContact O-N 3.11Å; F315-F324 HydrophobicContact CB-CZ 4.31Å; F315-F324 AromaticContact CD1-CD1 3.7Å; F315-F324 HydrophobicContact CD1-CD1 3.7Å; F315-F324 AromaticContact CD1-CE1 3.45Å; F315-F324 HydrophobicContact CD1-CE1 3.45Å; F315-F324 VanDerWaalsContact CD1-CE1 3.45Å; F315-F324 HydrophobicContact CD1-CE2 4.42Å; F315-F324 HydrophobicContact CD1-CG 4.3Å; F315-F324 AromaticContact CD1-CZ 3.84Å; F315-F324 HydrophobicContact CD1-CZ 3.84Å; F315-F324 AromaticContact CE1-CD1 3.68Å; F315-F324 HydrophobicContact CE1-CD1 3.68Å; F315-F324 AromaticContact CE1-CE1 3.79Å; F315-F324 HydrophobicContact CE1-CE1 3.79Å; F315-F324 HydrophobicContact CE1-CG 4.41Å; F315-F324 HydrophobicContact CG-CE1 4.11Å; F315-F324 HydrophobicContact CG-CZ 4.3Å; F315-Y327 HydrophobicContact CE1-CD1 4.18Å; F315-Y327 HydrophobicContact CE1-CD2 4.45Å; F315-Y327 AromaticContact CE1-CG 3.94Å; F315-Y327 HydrophobicContact CE1-CG 3.94Å; F315-Y327 AromaticContact CZ-CD1 3.91Å; F315-Y327 HydrophobicContact CZ-CD1 3.91Å; F315-Y327 AromaticContact CZ-CD2 3.72Å; F315-Y327 HydrophobicContact CZ-CD2 3.72Å; F315-Y327 HydrophobicContact CZ-CE1 4.25Å; F315-Y327 HydrophobicContact CZ-CE2 4.07Å; F315-Y327 AromaticContact CZ-CG 3.61Å; F315-Y327 HydrophobicContact CZ-CG 3.61Å
316	S	87.2	Confident	90.4	Very high	76 Å²	76	70.8 Å²	70.8	53%	0.531	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	123.6	-178.8	-149.3	0	0	0	0	112.6	D321	S316-D321 WeakPolarHBondContact CA-OD1 3.39Å; S316-D321 WeakPolarHBondContact CB-OD1 3.39Å; S316-D321 PolarHBondContact OG-OD1 2.73Å
317	C	78.3	Confident	90.5	Very high	46 Å²	46	70.7 Å²	70.7	31%	0.311	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	100.3	-178.1	-169.8	0	0	0	0	109.6	F315 G319 R320 I322	F315-C317 HydrophobicContact CD2-CB 4.48Å; F315-C317 HydrophobicContact CE2-CB 3.92Å; F315-C317 HydrophobicContact CZ-CB 4.44Å; F315-C317 PolarHBondContact O-N 2.64Å; C317-G319 VanDerWaalsContact C-N 3.32Å; C317-G319 PolarHBondContact O-N 2.99Å; C317-R320 PolarHBondContact N-O 3.18Å; C317-R320 PolarHBondContact O-N 2.94Å; C317-I322 HydrophobicContact CB-CG2 3.84Å
318	K	75.1	Confident	90.7	Very high	217 Å²	217	68.5 Å²	68.5	94%	0.943	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	37.3	-175	-51.4	177.7	179.2	176.8	0	114.2
319	G	79.2	Confident	90.8	Very high	70 Å²	70	68.2 Å²	68.2	72%	0.722	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	18.5	-179.6	0	0	0	0	0	114.6	C317	C317-G319 VanDerWaalsContact C-N 3.32Å; C317-G319 PolarHBondContact O-N 2.99Å
320	R	86.3	Confident	90.8	Very high	203 Å²	203	70.8 Å²	70.8	77%	0.766	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.1	131.2	162.3	-65.5	-174	-178.7	-170.7	-1.2	108.7	C317	C317-R320 PolarHBondContact N-O 3.18Å; C317-R320 PolarHBondContact O-N 2.94Å
321	D	89.8	Confident	90.6	Very high	115 Å²	115	74.5 Å²	74.5	62%	0.615	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	136.7	174.5	-62.4	-12.8	0	0	0	109.2	S316	S316-D321 WeakPolarHBondContact CA-OD1 3.39Å; S316-D321 WeakPolarHBondContact CB-OD1 3.39Å; S316-D321 PolarHBondContact OG-OD1 2.73Å
322	I	94.5	Very high	90.4	Very high	37 Å²	37	77.5 Å²	77.5	19%	0.19	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	142.4	-172.5	-171.6	169.3	0	0	0	109.1	T314 F315 C317 E326	T314-I322 VanDerWaalsContact CA-O 3.3Å; T314-I322 WeakPolarHBondContact CA-O 3.25Å; F315-I322 HydrophobicContact CD1-CG2 4.38Å; F315-I322 HydrophobicContact CE1-CG2 3.91Å; F315-I322 HydrophobicContact CZ-CG2 3.99Å; F315-I322 PolarHBondContact N-O 3.05Å; F315-I322 PolarHBondContact O-N 3.09Å; F315-I322 VanDerWaalsContact O-N 3.11Å; C317-I322 HydrophobicContact CB-CG2 3.84Å; I322-E326 HydrophobicContact CD1-CB 3.97Å; I322-E326 HydrophobicContact CG1-CB 3.57Å
323	S	94.7	Very high	90.3	Very high	8 Å²	8	77.7 Å²	77.7	6%	0.056	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	157.5	174.6	75.6	0	0	0	0	111.2	V325 E326 Y327	S323-V325 VanDerWaalsContact C-N 3.26Å; S323-V325 PolarHBondContact O-N 2.92Å; S323-E326 VanDerWaalsContact CB-OE1 3.29Å; S323-E326 WeakPolarHBondContact CB-OE1 3.48Å; S323-E326 PolarHBondContact N-OE2 3.11Å; S323-E326 PolarHBondContact O-N 3.02Å; S323-E326 WeakPolarHBondContact OG-CG 3.48Å; S323-E326 PolarHBondContact OG-N 3.49Å; S323-E326 VanDerWaalsContact OG-N 3.07Å; S323-E326 PolarHBondContact OG-OE1 2.86Å; S323-Y327 WeakPolarHBondContact O-CB 3.3Å; S323-Y327 PolarHBondContact O-N 3.33Å
324	F	94.4	Very high	90.3	Very high	7 Å²	7	78.4 Å²	78.4	3%	0.031	41%	0.409	C	S	.	.	H	α-helix	trans	-62.1	-37.4	173.3	-64.5	-76.8	0	0	0	111.4	P311 S313 F315 Y327 Y328 L343 V362 I364	P311-F324 WeakPolarHBondContact O-CB 3.27Å; P311-F324 PolarHBondContact O-N 3.06Å; S313-F324 WeakPolarHBondContact O-CD2 3.42Å; S313-F324 PolarHBondContact O-N 2.81Å; F315-F324 HydrophobicContact CB-CZ 4.31Å; F315-F324 AromaticContact CD1-CD1 3.7Å; F315-F324 HydrophobicContact CD1-CD1 3.7Å; F315-F324 AromaticContact CD1-CE1 3.45Å; F315-F324 HydrophobicContact CD1-CE1 3.45Å; F315-F324 VanDerWaalsContact CD1-CE1 3.45Å; F315-F324 HydrophobicContact CD1-CE2 4.42Å; F315-F324 HydrophobicContact CD1-CG 4.3Å; F315-F324 AromaticContact CD1-CZ 3.84Å; F315-F324 HydrophobicContact CD1-CZ 3.84Å; F315-F324 AromaticContact CE1-CD1 3.68Å; F315-F324 HydrophobicContact CE1-CD1 3.68Å; F315-F324 AromaticContact CE1-CE1 3.79Å; F315-F324 HydrophobicContact CE1-CE1 3.79Å; F315-F324 HydrophobicContact CE1-CG 4.41Å; F315-F324 HydrophobicContact CG-CE1 4.11Å; F315-F324 HydrophobicContact CG-CZ 4.3Å; F324-Y327 PolarHBondContact O-N 3.46Å; F324-Y328 HydrophobicContact CB-CD2 4.28Å; F324-Y328 HydrophobicContact CB-CE2 4.34Å; F324-Y328 HydrophobicContact CD1-CE2 4.27Å; F324-Y328 WeakPolarHBondContact O-CD2 3.46Å; F324-Y328 PolarHBondContact O-N 2.87Å; F324-L343 HydrophobicContact CD2-CD1 3.85Å; F324-L343 HydrophobicContact CE2-CD1 3.42Å; F324-L343 VanDerWaalsContact CE2-CD1 3.42Å; F324-L343 HydrophobicContact CZ-CD1 4.03Å; F324-V362 HydrophobicContact CE1-CB 3.93Å; F324-V362 HydrophobicContact CE1-CG1 4.04Å; F324-V362 HydrophobicContact CE2-CG1 4.35Å; F324-V362 HydrophobicContact CZ-CB 3.84Å; F324-V362 HydrophobicContact CZ-CG1 3.67Å; F324-V362 HydrophobicContact CZ-CG2 4.41Å; F324-I364 HydrophobicContact CB-CD1 3.93Å; F324-I364 HydrophobicContact CG-CD1 4.23Å
325	V	95.3	Very high	90.5	Very high	34 Å²	34	83.7 Å²	83.7	21%	0.206	42%	0.419	C	S	.	.	H	α-helix	trans	-57.3	-53.2	175.2	176.7	0	0	0	0	111.4	P311 S323 Y327 Y328 L329 I336	P311-V325 HydrophobicContact CB-CG2 3.87Å; P311-V325 PolarHBondContact O-N 2.79Å; S323-V325 VanDerWaalsContact C-N 3.26Å; S323-V325 PolarHBondContact O-N 2.92Å; V325-Y327 PolarHBondContact O-N 2.88Å; V325-Y328 PolarHBondContact O-N 2.98Å; V325-L329 VanDerWaalsContact O-CB 3.31Å; V325-L329 WeakPolarHBondContact O-CB 3.27Å; V325-L329 PolarHBondContact O-N 2.85Å; V325-I336 HydrophobicContact CG2-CD1 4.13Å
326	E	93.9	Very high	90.7	Very high	99 Å²	99	81.5 Å²	81.5	46%	0.463	41%	0.409	S	S	.	.	H	α-helix	trans	-60.2	-45.3	176.9	-74.4	141.9	-124.6	0	0	111.6	I322 S323 Y328 L329 T330	I322-E326 HydrophobicContact CD1-CB 3.97Å; I322-E326 HydrophobicContact CG1-CB 3.57Å; S323-E326 VanDerWaalsContact CB-OE1 3.29Å; S323-E326 WeakPolarHBondContact CB-OE1 3.48Å; S323-E326 PolarHBondContact N-OE2 3.11Å; S323-E326 PolarHBondContact O-N 3.02Å; S323-E326 WeakPolarHBondContact OG-CG 3.48Å; S323-E326 PolarHBondContact OG-N 3.49Å; S323-E326 VanDerWaalsContact OG-N 3.07Å; S323-E326 PolarHBondContact OG-OE1 2.86Å; E326-Y328 PolarHBondContact O-N 3.32Å; E326-L329 PolarHBondContact O-N 3.4Å; E326-T330 VanDerWaalsContact O-CB 3.32Å; E326-T330 WeakPolarHBondContact O-CB 3.39Å; E326-T330 PolarHBondContact O-N 3.04Å; E326-T330 PolarHBondContact O-OG1 3.28Å
327	Y	94.2	Very high	91	Very high	38 Å²	38	87.5 Å²	87.5	15%	0.149	42%	0.42	C	S	.	.	H	α-helix	trans	-61.7	-44.9	-179.2	169.7	-102.3	0	0	0	112.7	F315 S323 F324 V325 K331 Y332	F315-Y327 HydrophobicContact CE1-CD1 4.18Å; F315-Y327 HydrophobicContact CE1-CD2 4.45Å; F315-Y327 AromaticContact CE1-CG 3.94Å; F315-Y327 HydrophobicContact CE1-CG 3.94Å; F315-Y327 AromaticContact CZ-CD1 3.91Å; F315-Y327 HydrophobicContact CZ-CD1 3.91Å; F315-Y327 AromaticContact CZ-CD2 3.72Å; F315-Y327 HydrophobicContact CZ-CD2 3.72Å; F315-Y327 HydrophobicContact CZ-CE1 4.25Å; F315-Y327 HydrophobicContact CZ-CE2 4.07Å; F315-Y327 AromaticContact CZ-CG 3.61Å; F315-Y327 HydrophobicContact CZ-CG 3.61Å; S323-Y327 WeakPolarHBondContact O-CB 3.3Å; S323-Y327 PolarHBondContact O-N 3.33Å; F324-Y327 PolarHBondContact O-N 3.46Å; V325-Y327 PolarHBondContact O-N 2.88Å; Y327-K331 HydrophobicContact CD2-CD 4.2Å; Y327-K331 HydrophobicContact CE2-CD 3.41Å; Y327-K331 VanDerWaalsContact CE2-CD 3.41Å; Y327-K331 WeakPolarHBondContact O-CB 3.4Å; Y327-K331 PolarHBondContact O-N 3.11Å; Y327-K331 PolarHBondContact OH-NZ 3.02Å; Y327-Y332 HydrophobicContact CE1-CE2 4.1Å
328	Y	94.8	Very high	91.8	Very high	7 Å²	7	87.3 Å²	87.3	3%	0.027	42%	0.416	C	S	.	.	H	α-helix	trans	-70.8	-33.7	179	-77.1	-68.1	0	0	0	112.3	Y295 F324 V325 E326 Y332 N333 I334 I336 I364 L367	Y295-Y328 HydrophobicContact CD1-CE1 4.45Å; Y295-Y328 HydrophobicContact CD2-CE1 4.43Å; Y295-Y328 HydrophobicContact CE1-CD1 4.4Å; Y295-Y328 AromaticContact CE1-CE1 3.8Å; Y295-Y328 HydrophobicContact CE1-CE1 3.8Å; Y295-Y328 AromaticContact CE2-CE1 3.77Å; Y295-Y328 HydrophobicContact CE2-CE1 3.77Å; Y295-Y328 AromaticContact CZ-CE1 3.43Å; Y295-Y328 VanDerWaalsContact CZ-CE1 3.43Å; Y295-Y328 PolarHBondContact OH-OH 3.05Å; F324-Y328 HydrophobicContact CB-CD2 4.28Å; F324-Y328 HydrophobicContact CB-CE2 4.34Å; F324-Y328 HydrophobicContact CD1-CE2 4.27Å; F324-Y328 WeakPolarHBondContact O-CD2 3.46Å; F324-Y328 PolarHBondContact O-N 2.87Å; V325-Y328 PolarHBondContact O-N 2.98Å; E326-Y328 PolarHBondContact O-N 3.32Å; Y328-Y332 AromaticContact CD1-CD2 3.68Å; Y328-Y332 HydrophobicContact CD1-CD2 3.68Å; Y328-Y332 AromaticContact CD1-CE2 3.9Å; Y328-Y332 HydrophobicContact CD1-CE2 3.9Å; Y328-Y332 HydrophobicContact CE1-CD2 4.17Å; Y328-Y332 AromaticContact CE1-CE2 3.93Å; Y328-Y332 HydrophobicContact CE1-CE2 3.93Å; Y328-Y332 PolarHBondContact O-N 2.87Å; Y328-Y332 VanDerWaalsContact O-N 3.15Å; Y328-N333 PolarHBondContact O-N 2.83Å; Y328-I334 CarbonylContact C-O 3.43Å; Y328-I334 PolarHBondContact O-N 2.84Å; Y328-I336 HydrophobicContact CD2-CD1 4.06Å; Y328-I364 HydrophobicContact CD2-CD1 4.49Å; Y328-I364 HydrophobicContact CD2-CG1 3.84Å; Y328-I364 HydrophobicContact CE2-CD1 4.12Å; Y328-I364 HydrophobicContact CE2-CG1 3.52Å; Y328-L367 HydrophobicContact CD1-CD1 3.83Å; Y328-L367 HydrophobicContact CD2-CD1 4.3Å; Y328-L367 HydrophobicContact CE1-CD1 4.22Å; Y328-L367 HydrophobicContact CG-CD1 3.91Å
329	L	94.1	Very high	92.7	Very high	66 Å²	66	80.4 Å²	80.4	35%	0.346	39%	0.387	S	S	.	.	H	α-helix	trans	-68.9	-55.3	173.6	-175.2	59.2	0	0	0	111.8	V325 E326 K331 N333 I334 R335	V325-L329 VanDerWaalsContact O-CB 3.31Å; V325-L329 WeakPolarHBondContact O-CB 3.27Å; V325-L329 PolarHBondContact O-N 2.85Å; E326-L329 PolarHBondContact O-N 3.4Å; L329-K331 VanDerWaalsContact C-N 3.34Å; L329-K331 PolarHBondContact O-N 3.46Å; L329-N333 WeakPolarHBondContact O-CA 3.41Å; L329-N333 PolarHBondContact O-N 2.93Å; L329-I334 WeakPolarHBondContact CA-O 3.48Å; L329-I334 PolarHBondContact N-O 2.92Å; L329-R335 HydrophobicContact CD1-CG 3.94Å
330	T	92.1	Very high	93.3	Very high	118 Å²	118	83 Å²	83	72%	0.724	39%	0.385	S	S	*	.	H	α-helix	trans	-64.6	-34.7	-177	-56	0	0	0	0	113	E326	E326-T330 VanDerWaalsContact O-CB 3.32Å; E326-T330 WeakPolarHBondContact O-CB 3.39Å; E326-T330 PolarHBondContact O-N 3.04Å; E326-T330 PolarHBondContact O-OG1 3.28Å
331	K	91.4	Very high	93.7	Very high	116 Å²	116	73.5 Å²	73.5	50%	0.504	35%	0.349	S	S	.	.	H	α-helix	trans	-95.3	-29.5	-172.2	-171.4	173	172.8	178	0	114.9	Y327 L329	Y327-K331 HydrophobicContact CD2-CD 4.2Å; Y327-K331 HydrophobicContact CE2-CD 3.41Å; Y327-K331 VanDerWaalsContact CE2-CD 3.41Å; Y327-K331 WeakPolarHBondContact O-CB 3.4Å; Y327-K331 PolarHBondContact O-N 3.11Å; Y327-K331 PolarHBondContact OH-NZ 3.02Å; L329-K331 VanDerWaalsContact C-N 3.34Å; L329-K331 PolarHBondContact O-N 3.46Å
332	Y	91.8	Very high	93.9	Very high	64 Å²	64	69.2 Å²	69.2	25%	0.251	33%	0.327	S	S	.	.	H	α-helix	trans	-129.9	0.9	-175.3	-51.2	-79.6	0	0	0	113.4	Y295 Y327 Y328 I334	Y295-Y332 AromaticContact CD2-CD1 3.86Å; Y295-Y332 HydrophobicContact CD2-CD1 3.86Å; Y295-Y332 AromaticContact CD2-CD2 3.98Å; Y295-Y332 HydrophobicContact CD2-CD2 3.98Å; Y295-Y332 AromaticContact CD2-CE1 3.63Å; Y295-Y332 HydrophobicContact CD2-CE1 3.63Å; Y295-Y332 AromaticContact CD2-CE2 3.74Å; Y295-Y332 HydrophobicContact CD2-CE2 3.74Å; Y295-Y332 HydrophobicContact CD2-CG 4.02Å; Y295-Y332 AromaticContact CD2-CZ 3.55Å; Y295-Y332 HydrophobicContact CE2-CD2 4.45Å; Y295-Y332 HydrophobicContact CE2-CE1 4.3Å; Y295-Y332 AromaticContact CE2-CE2 3.86Å; Y295-Y332 HydrophobicContact CE2-CE2 3.86Å; Y295-Y332 AromaticContact CE2-CZ 3.76Å; Y295-Y332 HydrophobicContact CG-CD1 4.41Å; Y295-Y332 HydrophobicContact CG-CD2 4.49Å; Y295-Y332 HydrophobicContact CG-CG 4.35Å; Y327-Y332 HydrophobicContact CE1-CE2 4.1Å; Y328-Y332 AromaticContact CD1-CD2 3.68Å; Y328-Y332 HydrophobicContact CD1-CD2 3.68Å; Y328-Y332 AromaticContact CD1-CE2 3.9Å; Y328-Y332 HydrophobicContact CD1-CE2 3.9Å; Y328-Y332 HydrophobicContact CE1-CD2 4.17Å; Y328-Y332 AromaticContact CE1-CE2 3.93Å; Y328-Y332 HydrophobicContact CE1-CE2 3.93Å; Y328-Y332 PolarHBondContact O-N 2.87Å; Y328-Y332 VanDerWaalsContact O-N 3.15Å; Y332-I334 VanDerWaalsContact C-N 3.28Å; Y332-I334 PolarHBondContact O-N 2.84Å
333	N	93.9	Very high	93.9	Very high	134 Å²	134	67.4 Å²	67.4	72%	0.717	32%	0.318	S	S	*	.			trans	56.2	37.2	-173.7	-160.3	19.2	0	0	0	113.8	Y328 L329	Y328-N333 PolarHBondContact O-N 2.83Å; L329-N333 WeakPolarHBondContact O-CA 3.41Å; L329-N333 PolarHBondContact O-N 2.93Å
334	I	93.9	Very high	93.9	Very high	45 Å²	45	67.1 Å²	67.1	23%	0.231	32%	0.316	C	S	.	.			trans	-109.9	125.6	-178.4	-69.9	170.7	0	0	0	110.3	Y295 Y328 L329 Y332 L367	Y295-I334 VanDerWaalsContact CB-CD1 3.46Å; Y295-I334 HydrophobicContact CD1-CD1 4.39Å; Y295-I334 HydrophobicContact CG-CD1 4.25Å; Y328-I334 CarbonylContact C-O 3.43Å; Y328-I334 PolarHBondContact O-N 2.84Å; L329-I334 WeakPolarHBondContact CA-O 3.48Å; L329-I334 PolarHBondContact N-O 2.92Å; Y332-I334 VanDerWaalsContact C-N 3.28Å; Y332-I334 PolarHBondContact O-N 2.84Å; I334-L367 HydrophobicContact CG2-CD1 3.96Å; I334-L367 HydrophobicContact CG2-CD2 3.66Å; I334-L367 HydrophobicContact CG2-CG 4.49Å
335	R	94.7	Very high	93.8	Very high	201 Å²	201	67.6 Å²	67.6	76%	0.758	32%	0.319	S	S	*	.			trans	-91.1	126.1	170.6	-62	-179.3	-175.9	-164.4	0.1	109.3	L329	L329-R335 HydrophobicContact CD1-CG 3.94Å
336	I	95.3	Very high	93.5	Very high	10 Å²	10	66.4 Å²	66.4	5%	0.051	31%	0.312	C	S	.	.			trans	-77.6	139.7	169.4	-58.5	174.4	0	0	0	107.6	P311 V325 Y328 D338 I364 E366 L367	P311-I336 HydrophobicContact CB-CD1 3.9Å; P311-I336 HydrophobicContact CB-CG2 4.14Å; P311-I336 HydrophobicContact CG-CD1 4.45Å; P311-I336 HydrophobicContact CG-CG2 4.01Å; V325-I336 HydrophobicContact CG2-CD1 4.13Å; Y328-I336 HydrophobicContact CD2-CD1 4.06Å; I336-D338 WeakPolarHBondContact CG2-O 3.39Å; I336-I364 HydrophobicContact CD1-CD1 4.04Å; I336-I364 HydrophobicContact CD1-CG1 3.78Å; I336-I364 HydrophobicContact CD1-CG2 4.25Å; I336-I364 HydrophobicContact CG1-CG2 4.49Å; I336-I364 HydrophobicContact CG2-CG2 4.19Å; I336-E366 WeakPolarHBondContact CG2-OE2 3.47Å; I336-L367 HydrophobicContact CG1-CD1 4.48Å
337	R	94.2	Very high	93	Very high	202 Å²	202	66.1 Å²	66.1	76%	0.762	31%	0.309	S	S	*	.	S	Bend	trans	-97.7	-42.7	-178.1	-73.1	170.3	-67.9	162.1	6.8	113	E366	R337-E366 IonicContact CZ-OE1 3.88Å; R337-E366 PolarHBondContact N-OE1 2.97Å; R337-E366 PolarHBondContact N-OE2 2.8Å; R337-E366 IonicContact NE-OE1 3.57Å; R337-E366 PolarHBondContact NE-OE1 3.29Å; R337-E366 IonicContact NH2-OE1 3.83Å; R337-E366 PolarHBondContact NH2-OE1 3.05Å
338	D	93.7	Very high	91.5	Very high	43 Å²	43	67 Å²	67	23%	0.23	32%	0.316	C	S	.	.			trans	-96.6	116.2	176	-170	-20.1	0	0	0	110.3	Y265 I336 N340 Q341 E366	Y265-D338 HydrophobicContact CE2-CB 3.84Å; Y265-D338 VanDerWaalsContact CE2-OD2 3.25Å; Y265-D338 WeakPolarHBondContact CE2-OD2 3.38Å; Y265-D338 PolarHBondContact OH-OD2 3.36Å; I336-D338 WeakPolarHBondContact CG2-O 3.39Å; D338-N340 WeakPolarHBondContact OD1-CA 3.49Å; D338-N340 WeakPolarHBondContact OD1-CB 3.29Å; D338-N340 PolarHBondContact OD1-N 3.01Å; D338-Q341 HydrophobicContact CB-CB 4.32Å; D338-Q341 PolarHBondContact O-NE2 2.94Å; D338-Q341 PolarHBondContact OD1-N 3.39Å; D338-E366 PolarHBondContact N-OE2 3.06Å
339	H	94.6	Very high	89.6	Confident	71 Å²	71	75.1 Å²	75.1	33%	0.329	35%	0.347	S	S	.	.	S	Bend	trans	-88.7	-3.5	178	-66.6	136	0	0	0	114.7	T310 K312	T310-H339 WeakPolarHBondContact CB-O 3.42Å; K312-H339 HydrophobicContact CD-CB 4.35Å; K312-H339 HydrophobicContact CG-CB 4.32Å
340	N	92.3	Very high	87.3	Confident	126 Å²	126	78 Å²	78	67%	0.674	36%	0.363	S	S	*	.	S	Bend	trans	-109.9	-5.1	-178.4	-59.6	-15.4	0	0	0	112.4	D338	D338-N340 WeakPolarHBondContact OD1-CA 3.49Å; D338-N340 WeakPolarHBondContact OD1-CB 3.29Å; D338-N340 PolarHBondContact OD1-N 3.01Å
341	Q	93.4	Very high	85	Confident	3 Å²	3	74.9 Å²	74.9	1%	0.014	34%	0.339	C	S	.	.			trans	-59.5	143.4	175.6	71.9	-172.8	-75.9	0	0	111.7	Y265 P311 D338 I364 P365 E366	Y265-Q341 HydrophobicContact CD2-CB 4.02Å; Y265-Q341 HydrophobicContact CE2-CB 4.1Å; P311-Q341 VanDerWaalsContact CD-O 3.25Å; P311-Q341 WeakPolarHBondContact CD-O 3.17Å; P311-Q341 HydrophobicContact CG-CG 3.75Å; D338-Q341 HydrophobicContact CB-CB 4.32Å; D338-Q341 PolarHBondContact O-NE2 2.94Å; D338-Q341 PolarHBondContact OD1-N 3.39Å; Q341-I364 HydrophobicContact CG-CG2 4.44Å; Q341-I364 VanDerWaalsContact OE1-CG2 3.31Å; Q341-P365 VanDerWaalsContact OE1-CD 3.26Å; Q341-E366 PolarHBondContact NE2-OE2 2.67Å; Q341-E366 VanDerWaalsContact NE2-OE2 3.08Å; Q341-E366 VanDerWaalsContact OE1-CB 3.31Å
342	P	94.1	Very high	82.7	Confident	24 Å²	24	70.9 Å²	70.9	16%	0.156	33%	0.328	C	S	.	.			trans	-68	171.2	175.6	31.1	-37.4	0	0	0	111.4	M268 V305 D306 F307 P365	M268-P342 HydrophobicContact CE-CG 3.75Å; M268-P342 HydrophobicContact SD-CG 3.72Å; V305-P342 HydrophobicContact CG1-CB 4.05Å; V305-P342 HydrophobicContact CG1-CG 4.25Å; D306-P342 WeakPolarHBondContact O-CA 3.42Å; D306-P342 WeakPolarHBondContact O-CB 3.47Å; F307-P342 HydrophobicContact CD1-CB 3.85Å; F307-P342 HydrophobicContact CD1-CG 4.17Å; F307-P342 HydrophobicContact CE1-CB 4.31Å; F307-P342 HydrophobicContact CE1-CG 4.22Å; F307-P342 HydrophobicContact CG-CB 4.21Å; P342-P365 WeakPolarHBondContact O-CD 3.4Å; P342-P365 WeakPolarHBondContact O-CG 3.32Å
343	L	94.8	Very high	80.4	Confident	0 Å²	0	76 Å²	76	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	147.1	178.4	-59.6	-174.4	0	0	0	112.8	D306 Q309 P311 F324 V362 I364	D306-L343 PolarHBondContact N-O 3.27Å; D306-L343 PolarHBondContact O-N 2.92Å; Q309-L343 HydrophobicContact CB-CD1 3.61Å; Q309-L343 HydrophobicContact CB-CG 4.15Å; P311-L343 HydrophobicContact CG-CD2 4.45Å; F324-L343 HydrophobicContact CD2-CD1 3.85Å; F324-L343 HydrophobicContact CE2-CD1 3.42Å; F324-L343 VanDerWaalsContact CE2-CD1 3.42Å; F324-L343 HydrophobicContact CZ-CD1 4.03Å; L343-V362 HydrophobicContact CB-CG1 3.66Å; L343-V362 HydrophobicContact CD1-CG1 3.54Å; L343-V362 HydrophobicContact CG-CG1 4.14Å; L343-I364 HydrophobicContact CD2-CD1 3.51Å
344	L	94.3	Very high	77.9	Confident	1 Å²	1	77.3 Å²	77.3	1%	0.005	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	128.7	178.9	-52.5	177.1	0	0	0	110.3	I264 M268 V286 I302 V305 V362 L363 P365 C368	I264-L344 HydrophobicContact CB-CD1 4.09Å; I264-L344 HydrophobicContact CG1-CD1 4.02Å; I264-L344 HydrophobicContact CG2-CD1 3.97Å; I264-L344 HydrophobicContact CG2-CD2 3.9Å; M268-L344 HydrophobicContact CE-CD2 3.55Å; V286-L344 HydrophobicContact CG1-CD2 4.14Å; I302-L344 HydrophobicContact CD1-CD1 3.84Å; I302-L344 HydrophobicContact CD1-CD2 4.27Å; I302-L344 HydrophobicContact CG1-CD1 4.4Å; I302-L344 HydrophobicContact CG2-CB 4.38Å; I302-L344 HydrophobicContact CG2-CD2 4.38Å; V305-L344 HydrophobicContact CG1-CD2 4.48Å; V305-L344 HydrophobicContact CG2-CD2 4Å; L344-V362 WeakPolarHBondContact O-CA 3.42Å; L344-L363 HydrophobicContact CB-CB 4.22Å; L344-L363 PolarHBondContact N-O 3.5Å; L344-L363 PolarHBondContact O-N 2.99Å; L344-P365 HydrophobicContact CD1-CB 4.46Å; L344-P365 HydrophobicContact CD1-CG 4.36Å; L344-P365 HydrophobicContact CD2-CG 4.1Å; L344-P365 HydrophobicContact CG-CG 3.93Å; L344-C368 HydrophobicContact CD1-CB 4.03Å
345	I	92.1	Very high	75.6	Confident	18 Å²	18	79 Å²	79	9%	0.092	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	123.6	178.3	-66.3	-180	0	0	0	110.2	N303 D304 D306 K347 L360	N303-I345 PolarHBondContact N-O 3.48Å; D304-I345 HydrophobicContact CB-CB 3.94Å; D304-I345 HydrophobicContact CB-CD1 4.42Å; D304-I345 HydrophobicContact CB-CG2 4.34Å; D304-I345 PolarHBondContact N-O 3.19Å; D304-I345 VanDerWaalsContact N-O 3.14Å; D304-I345 PolarHBondContact O-N 2.91Å; D306-I345 HydrophobicContact CB-CD1 3.96Å; D306-I345 HydrophobicContact CB-CG1 4.37Å; I345-K347 HydrophobicContact CG2-CD 4.4Å; I345-K347 HydrophobicContact CG2-CG 3.93Å; I345-L360 HydrophobicContact CG1-CD2 4.31Å; I345-L360 HydrophobicContact CG2-CD1 4.11Å; I345-L360 HydrophobicContact CG2-CD2 3.9Å; I345-L360 HydrophobicContact CG2-CG 3.86Å
346	S	89.8	Confident	73	Confident	9 Å²	9	77.1 Å²	77.1	6%	0.063	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	115.4	173	158.3	0	0	0	0	109.9	R301 V361	R301-S346 WeakPolarHBondContact O-CB 3.45Å; S346-V361 PolarHBondContact N-O 3.46Å; S346-V361 PolarHBondContact O-N 3.42Å
347	K	83	Confident	70.7	Confident	92 Å²	92	79.6 Å²	79.6	40%	0.4	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	111.2	-178.8	-63.1	178	-176.7	173.4	0	109.7	N303 I345 R349 L360	N303-K347 PolarHBondContact OD1-N 2.94Å; N303-K347 PolarHBondContact OD1-O 3.46Å; I345-K347 HydrophobicContact CG2-CD 4.4Å; I345-K347 HydrophobicContact CG2-CG 3.93Å; K347-R349 PolarHBondContact O-N 3.48Å; K347-L360 HydrophobicContact CG-CG 4.37Å
348	N	63.2	Low	68.6	Low	58 Å²	58	73.2 Å²	73.2	31%	0.31	38%	0.379	S	S	.	.			trans	-76.1	85.4	-176.7	-170.9	-14.8	0	0	0	112	D350 K351 A352	N348-D350 VanDerWaalsContact C-N 3.31Å; N348-D350 PolarHBondContact O-N 2.88Å; N348-D350 PolarHBondContact OD1-N 3.27Å; N348-K351 HydrophobicContact CB-CB 4.33Å; N348-K351 PolarHBondContact O-N 3.47Å; N348-K351 PolarHBondContact OD1-N 3.09Å; N348-A352 WeakPolarHBondContact O-CB 3.35Å; N348-A352 PolarHBondContact O-N 2.85Å
349	R	54	Low	67.2	Low	177 Å²	177	75.5 Å²	75.5	67%	0.668	39%	0.388	S	S	*	.	H	α-helix	trans	-53.1	-43.5	-179.3	-79.9	-173.3	163.5	-151.9	-6.1	113.7	K347 K351 A352 Q353	K347-R349 PolarHBondContact O-N 3.48Å; R349-K351 PolarHBondContact O-N 3.15Å; R349-A352 PolarHBondContact O-N 3.1Å; R349-A352 VanDerWaalsContact O-N 3.13Å; R349-Q353 PolarHBondContact O-N 3.44Å
350	D	46.6	Very low	66.4	Low	126 Å²	126	76 Å²	76	67%	0.674	39%	0.393	S	S	*	.	H	α-helix	trans	-69.2	-23.9	-173.8	-56.2	-10.7	0	0	0	112.5	N348	N348-D350 VanDerWaalsContact C-N 3.31Å; N348-D350 PolarHBondContact O-N 2.88Å; N348-D350 PolarHBondContact OD1-N 3.27Å
351	K	43.5	Very low	66.2	Low	53 Å²	53	71.8 Å²	71.8	23%	0.23	37%	0.372	C	S	.	.	H	α-helix	trans	-84	-44.3	166.1	-86.7	-168.2	171.3	-173	0	112.8	N348 R349 Q353 K354 T355 E359	N348-K351 HydrophobicContact CB-CB 4.33Å; N348-K351 PolarHBondContact O-N 3.47Å; N348-K351 PolarHBondContact OD1-N 3.09Å; R349-K351 PolarHBondContact O-N 3.15Å; K351-Q353 PolarHBondContact O-N 3.04Å; K351-K354 WeakPolarHBondContact O-CA 3.46Å; K351-K354 PolarHBondContact O-N 3.45Å; K351-T355 PolarHBondContact O-N 3.18Å; K351-T355 VanDerWaalsContact O-N 3.13Å; K351-T355 PolarHBondContact O-OG1 3.3Å; K351-T355 VanDerWaalsContact O-OG1 3.13Å; K351-E359 WeakPolarHBondContact CD-OE2 3.44Å; K351-E359 WeakPolarHBondContact CE-OE2 3.32Å; K351-E359 IonicContact NZ-OE1 3.81Å; K351-E359 PolarHBondContact NZ-OE1 3.26Å; K351-E359 IonicContact NZ-OE2 2.64Å; K351-E359 PolarHBondContact NZ-OE2 3.27Å
352	A	42.7	Very low	66.1	Low	32 Å²	32	73 Å²	73	26%	0.264	38%	0.379	S	S	.	.	H	α-helix	trans	-56.6	-37.1	-173.5	0	0	0	0	0	112.6	N348 R349 K354	N348-A352 WeakPolarHBondContact O-CB 3.35Å; N348-A352 PolarHBondContact O-N 2.85Å; R349-A352 PolarHBondContact O-N 3.1Å; R349-A352 VanDerWaalsContact O-N 3.13Å; A352-K354 PolarHBondContact O-N 3.01Å
353	Q	43.7	Very low	66.2	Low	172 Å²	172	72 Å²	72	80%	0.804	37%	0.372	S	S	*	.	H	α-helix	trans	-69.6	-9.2	173.6	-72.2	-172.8	-60.8	0	0	115.2	R349 K351	R349-Q353 PolarHBondContact O-N 3.44Å; K351-Q353 PolarHBondContact O-N 3.04Å
354	K	41.7	Very low	66.2	Low	160 Å²	160	72 Å²	72	70%	0.696	37%	0.372	S	S	*	.	H	α-helix	trans	-115.8	-19.1	-174.3	-65.5	-172.9	177.7	-174.3	0	114.6	K351 A352	K351-K354 WeakPolarHBondContact O-CA 3.46Å; K351-K354 PolarHBondContact O-N 3.45Å; A352-K354 PolarHBondContact O-N 3.01Å
355	T	45.1	Very low	66.2	Low	80 Å²	80	71.9 Å²	71.9	49%	0.491	37%	0.372	S	S	.	.	H	α-helix	trans	-126.2	-2.3	-172.6	51.7	0	0	0	0	115.4	K351 A357	K351-T355 PolarHBondContact O-N 3.18Å; K351-T355 VanDerWaalsContact O-N 3.13Å; K351-T355 PolarHBondContact O-OG1 3.3Å; K351-T355 VanDerWaalsContact O-OG1 3.13Å; T355-A357 PolarHBondContact O-N 3.44Å; T355-A357 PolarHBondContact OG1-O 3.49Å
356	N	41.8	Very low	66.4	Low	162 Å²	162	71.7 Å²	71.7	87%	0.866	37%	0.371	S	S	*	.	S	Bend	trans	57.2	-31.1	-170	-72.9	-3.4	0	0	0	115.9	S358	N356-S358 PolarHBondContact O-N 2.91Å
357	A	46	Very low	66.6	Low	62 Å²	62	72.4 Å²	72.4	51%	0.512	37%	0.374	S	S	.	.	S	Bend	trans	-67.6	112.5	164.3	0	0	0	0	0	110.3	T355 E359	T355-A357 PolarHBondContact O-N 3.44Å; T355-A357 PolarHBondContact OG1-O 3.49Å; A357-E359 PolarHBondContact O-N 2.98Å; A357-E359 VanDerWaalsContact O-N 3.13Å
358	S	50.3	Low	67	Low	68 Å²	68	68 Å²	68	48%	0.476	36%	0.355	S	S	.	.			trans	-73.6	93.9	165.4	168.7	0	0	0	0	109.3	N356 L360	N356-S358 PolarHBondContact O-N 2.91Å; S358-L360 VanDerWaalsContact C-N 3.28Å; S358-L360 PolarHBondContact O-N 3.34Å
359	E	63.9	Low	68.3	Low	91 Å²	91	66.6 Å²	66.6	43%	0.425	35%	0.345	S	S	.	.			trans	-59.1	92.3	164.3	-81.9	-175.3	-171.6	0	0	109.7	K351 A357	K351-E359 WeakPolarHBondContact CD-OE2 3.44Å; K351-E359 WeakPolarHBondContact CE-OE2 3.32Å; K351-E359 IonicContact NZ-OE1 3.81Å; K351-E359 PolarHBondContact NZ-OE1 3.26Å; K351-E359 IonicContact NZ-OE2 2.64Å; K351-E359 PolarHBondContact NZ-OE2 3.27Å; A357-E359 PolarHBondContact O-N 2.98Å; A357-E359 VanDerWaalsContact O-N 3.13Å
360	L	77.4	Confident	69.9	Low	83 Å²	83	58.2 Å²	58.2	44%	0.435	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	113.9	171.6	-169.4	158.2	0	0	0	107.4	I345 K347 S358 V362	I345-L360 HydrophobicContact CG1-CD2 4.31Å; I345-L360 HydrophobicContact CG2-CD1 4.11Å; I345-L360 HydrophobicContact CG2-CD2 3.9Å; I345-L360 HydrophobicContact CG2-CG 3.86Å; K347-L360 HydrophobicContact CG-CG 4.37Å; S358-L360 VanDerWaalsContact C-N 3.28Å; S358-L360 PolarHBondContact O-N 3.34Å; L360-V362 HydrophobicContact CD2-CG2 3.5Å
361	V	88.2	Confident	71.7	Confident	37 Å²	37	53.1 Å²	53.1	22%	0.224	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124.7	179.3	-173.7	0	0	0	0	108.7	Y300 S346 L363	Y300-V361 HydrophobicContact CD1-CB 4.49Å; Y300-V361 HydrophobicContact CD1-CG1 4.27Å; Y300-V361 HydrophobicContact CE1-CB 4.26Å; Y300-V361 HydrophobicContact CE1-CG1 3.79Å; Y300-V361 HydrophobicContact CE1-CG2 4.18Å; S346-V361 PolarHBondContact N-O 3.46Å; S346-V361 PolarHBondContact O-N 3.42Å; V361-L363 HydrophobicContact CG1-CD2 3.69Å; V361-L363 HydrophobicContact CG1-CG 4.15Å
362	V	92.4	Very high	73.5	Confident	28 Å²	28	51.9 Å²	51.9	17%	0.17	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	131.2	176.7	-170.9	0	0	0	0	109.1	F324 L343 L344 L360	F324-V362 HydrophobicContact CE1-CB 3.93Å; F324-V362 HydrophobicContact CE1-CG1 4.04Å; F324-V362 HydrophobicContact CE2-CG1 4.35Å; F324-V362 HydrophobicContact CZ-CB 3.84Å; F324-V362 HydrophobicContact CZ-CG1 3.67Å; F324-V362 HydrophobicContact CZ-CG2 4.41Å; L343-V362 HydrophobicContact CB-CG1 3.66Å; L343-V362 HydrophobicContact CD1-CG1 3.54Å; L343-V362 HydrophobicContact CG-CG1 4.14Å; L344-V362 WeakPolarHBondContact O-CA 3.42Å; L360-V362 HydrophobicContact CD2-CG2 3.5Å
363	L	94.8	Very high	75.3	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	151.6	-174.1	-51.8	169.4	0	0	0	111.5	V291 T293 Y300 L344 V361	V291-L363 HydrophobicContact CG2-CD1 4.44Å; T293-L363 HydrophobicContact CG2-CD2 4.27Å; Y300-L363 HydrophobicContact CD1-CD1 4.3Å; Y300-L363 HydrophobicContact CD2-CD1 3.68Å; Y300-L363 HydrophobicContact CD2-CD2 4.24Å; Y300-L363 HydrophobicContact CE2-CD1 4.4Å; Y300-L363 HydrophobicContact CE2-CD2 4.15Å; Y300-L363 HydrophobicContact CG-CD1 3.61Å; L344-L363 HydrophobicContact CB-CB 4.22Å; L344-L363 PolarHBondContact N-O 3.5Å; L344-L363 PolarHBondContact O-N 2.99Å; V361-L363 HydrophobicContact CG1-CD2 3.69Å; V361-L363 HydrophobicContact CG1-CG 4.15Å
364	I	96.1	Very high	76.8	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.256	C	S	.	.			trans	-88.5	124.3	178.2	-50.4	-53.3	0	0	0	109.5	P311 F324 Y328 I336 Q341 L343 E366 L367 C368	P311-I364 HydrophobicContact CB-CD1 4.43Å; P311-I364 HydrophobicContact CG-CD1 4.18Å; F324-I364 HydrophobicContact CB-CD1 3.93Å; F324-I364 HydrophobicContact CG-CD1 4.23Å; Y328-I364 HydrophobicContact CD2-CD1 4.49Å; Y328-I364 HydrophobicContact CD2-CG1 3.84Å; Y328-I364 HydrophobicContact CE2-CD1 4.12Å; Y328-I364 HydrophobicContact CE2-CG1 3.52Å; I336-I364 HydrophobicContact CD1-CD1 4.04Å; I336-I364 HydrophobicContact CD1-CG1 3.78Å; I336-I364 HydrophobicContact CD1-CG2 4.25Å; I336-I364 HydrophobicContact CG1-CG2 4.49Å; I336-I364 HydrophobicContact CG2-CG2 4.19Å; Q341-I364 HydrophobicContact CG-CG2 4.44Å; Q341-I364 VanDerWaalsContact OE1-CG2 3.31Å; L343-I364 HydrophobicContact CD2-CD1 3.51Å; I364-E366 VanDerWaalsContact C-N 3.26Å; I364-E366 HydrophobicContact CG2-CB 4.03Å; I364-E366 PolarHBondContact O-N 3.28Å; I364-L367 HydrophobicContact CB-CB 4.3Å; I364-L367 HydrophobicContact CB-CD1 4.14Å; I364-L367 HydrophobicContact CB-CG 4.01Å; I364-L367 HydrophobicContact CG1-CD1 4.23Å; I364-L367 HydrophobicContact CG2-CG 4.18Å; I364-L367 PolarHBondContact O-N 3.33Å; I364-C368 PolarHBondContact O-SG 3.18Å
365	P	94.8	Very high	78	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-51.6	-39.9	177.8	-28.4	32.2	0	0	0	115.1	I264 Y265 M268 Q341 P342 L344 L367 C368	I264-P365 HydrophobicContact CB-CB 4.16Å; I264-P365 HydrophobicContact CG2-CB 4.08Å; I264-P365 PolarHBondContact N-O 3.06Å; Y265-P365 PolarHBondContact N-O 2.93Å; M268-P365 HydrophobicContact CE-CG 4.12Å; M268-P365 HydrophobicContact SD-CB 3.78Å; M268-P365 HydrophobicContact SD-CG 3.73Å; Q341-P365 VanDerWaalsContact OE1-CD 3.26Å; P342-P365 WeakPolarHBondContact O-CD 3.4Å; P342-P365 WeakPolarHBondContact O-CG 3.32Å; L344-P365 HydrophobicContact CD1-CB 4.46Å; L344-P365 HydrophobicContact CD1-CG 4.36Å; L344-P365 HydrophobicContact CD2-CG 4.1Å; L344-P365 HydrophobicContact CG-CG 3.93Å; P365-L367 PolarHBondContact O-N 2.82Å; P365-C368 PolarHBondContact O-N 3.33Å
366	E	94.8	Very high	79.3	Confident	14 Å²	14	44.6 Å²	44.6	7%	0.065	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-61.4	-29.9	178.2	-172.6	-173.8	162.9	0	0	112.9	I336 R337 D338 Q341 I364	I336-E366 WeakPolarHBondContact CG2-OE2 3.47Å; R337-E366 IonicContact CZ-OE1 3.88Å; R337-E366 PolarHBondContact N-OE1 2.97Å; R337-E366 PolarHBondContact N-OE2 2.8Å; R337-E366 IonicContact NE-OE1 3.57Å; R337-E366 PolarHBondContact NE-OE1 3.29Å; R337-E366 IonicContact NH2-OE1 3.83Å; R337-E366 PolarHBondContact NH2-OE1 3.05Å; D338-E366 PolarHBondContact N-OE2 3.06Å; Q341-E366 PolarHBondContact NE2-OE2 2.67Å; Q341-E366 VanDerWaalsContact NE2-OE2 3.08Å; Q341-E366 VanDerWaalsContact OE1-CB 3.31Å; I364-E366 VanDerWaalsContact C-N 3.26Å; I364-E366 HydrophobicContact CG2-CB 4.03Å; I364-E366 PolarHBondContact O-N 3.28Å
367	L	93.8	Very high	81.1	Confident	24 Å²	24	38.4 Å²	38.4	13%	0.126	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-98.1	10.8	-177.4	-51.5	-175.9	0	0	0	112.9	Y295 Y328 I334 I336 I364 P365	Y295-L367 HydrophobicContact CD1-CB 4.14Å; Y295-L367 HydrophobicContact CD1-CD1 4.35Å; Y295-L367 HydrophobicContact CE1-CB 3.85Å; Y295-L367 HydrophobicContact CE1-CD1 4.21Å; Y328-L367 HydrophobicContact CD1-CD1 3.83Å; Y328-L367 HydrophobicContact CD2-CD1 4.3Å; Y328-L367 HydrophobicContact CE1-CD1 4.22Å; Y328-L367 HydrophobicContact CG-CD1 3.91Å; I334-L367 HydrophobicContact CG2-CD1 3.96Å; I334-L367 HydrophobicContact CG2-CD2 3.66Å; I334-L367 HydrophobicContact CG2-CG 4.49Å; I336-L367 HydrophobicContact CG1-CD1 4.48Å; I364-L367 HydrophobicContact CB-CB 4.3Å; I364-L367 HydrophobicContact CB-CD1 4.14Å; I364-L367 HydrophobicContact CB-CG 4.01Å; I364-L367 HydrophobicContact CG1-CD1 4.23Å; I364-L367 HydrophobicContact CG2-CG 4.18Å; I364-L367 PolarHBondContact O-N 3.33Å; P365-L367 PolarHBondContact O-N 2.82Å
368	C	92.8	Very high	82.5	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	111.5	-174.8	-69	0	0	0	0	111.5	T263 I264 V291 L292 L344 I364 P365	T263-C368 CarbonylContact C-O 3.44Å; T263-C368 VanDerWaalsContact CA-O 3.3Å; T263-C368 WeakPolarHBondContact CA-O 3.17Å; I264-C368 HydrophobicContact CG1-CB 4.05Å; I264-C368 PolarHBondContact N-O 3.15Å; V291-C368 HydrophobicContact CB-CB 3.99Å; V291-C368 HydrophobicContact CG1-CB 4.08Å; V291-C368 HydrophobicContact CG2-CB 4.13Å; L292-C368 WeakPolarHBondContact O-CA 3.4Å; L344-C368 HydrophobicContact CD1-CB 4.03Å; I364-C368 PolarHBondContact O-SG 3.18Å; P365-C368 PolarHBondContact O-N 3.33Å
369	R	90	Very high	83.6	Confident	28 Å²	28	44.6 Å²	44.6	11%	0.106	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	140.3	176.3	-73.3	169.9	72	176.7	4.2	111.9	E232 M259 R260 T263 V291 L292 D294	E232-R369 IonicContact OE1-CZ 3.22Å; E232-R369 IonicContact OE1-NH1 2.93Å; E232-R369 IonicContact OE1-NH2 2.79Å; E232-R369 PolarHBondContact OE1-NH2 2.96Å; E232-R369 IonicContact OE2-NH2 2.74Å; E232-R369 PolarHBondContact OE2-NH2 2.81Å; M259-R369 HydrophobicContact CE-CB 4.14Å; R260-R369 PolarHBondContact O-NE 3.19Å; R260-R369 PolarHBondContact O-NH2 3.34Å; T263-R369 HydrophobicContact CG2-CG 4.2Å; V291-R369 CarbonylContact C-O 3.27Å; V291-R369 VanDerWaalsContact CA-O 3.22Å; V291-R369 WeakPolarHBondContact CA-O 3.22Å; L292-R369 PolarHBondContact N-O 2.93Å; L292-R369 PolarHBondContact O-N 3.46Å; D294-R369 WeakPolarHBondContact OD1-CD 3.45Å; D294-R369 WeakPolarHBondContact OD2-CD 3.41Å; D294-R369 IonicContact OD2-CZ 2.99Å; D294-R369 IonicContact OD2-NE 3.18Å; D294-R369 IonicContact OD2-NH1 3.95Å; D294-R369 PolarHBondContact OD2-NH1 2.89Å
370	V	88.4	Confident	84.4	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	132.5	-177.4	-178.3	0	0	0	0	111.5	R260 E262 I264 I267 L289	R260-V370 HydrophobicContact CB-CB 4.44Å; R260-V370 WeakPolarHBondContact CB-O 3.15Å; R260-V370 HydrophobicContact CG-CB 4.36Å; R260-V370 WeakPolarHBondContact CG-O 3.2Å; R260-V370 VanDerWaalsContact CZ-CG1 3.45Å; R260-V370 PolarHBondContact N-O 3.28Å; E262-V370 PolarHBondContact O-N 3.41Å; I264-V370 HydrophobicContact CD1-CG2 3.45Å; I264-V370 VanDerWaalsContact CD1-CG2 3.45Å; I264-V370 HydrophobicContact CG1-CG2 4.32Å; I267-V370 HydrophobicContact CD1-CG2 3.61Å; L289-V370 HydrophobicContact CD1-CG1 4.15Å; L289-V370 HydrophobicContact CD1-CG2 4.02Å
371	T	84.3	Confident	84.5	Confident	20 Å²	20	46.6 Å²	46.6	12%	0.123	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	143.7	173.6	76.3	0	0	0	0	111.4	M259 I290 L292 T299	M259-T371 HydrophobicContact CE-CG2 3.97Å; M259-T371 HydrophobicContact SD-CG2 3.69Å; I290-T371 WeakPolarHBondContact O-CB 3.37Å; I290-T371 WeakPolarHBondContact O-CG2 3.39Å; I290-T371 PolarHBondContact O-N 3.4Å; I290-T371 PolarHBondContact O-OG1 2.95Å; L292-T371 HydrophobicContact CB-CG2 3.97Å; T299-T371 HydrophobicContact CG2-CG2 4.46Å
372	G	80.9	Confident	84.3	Confident	27 Å²	27	51.3 Å²	51.3	28%	0.278	27%	0.269	S	S	.	.	S	Bend	trans	70.2	179.2	176	0	0	0	0	0	116	V258 R260	V258-G372 PolarHBondContact O-N 3.4Å; R260-G372 PolarHBondContact NE-O 3.19Å; R260-G372 PolarHBondContact NH2-O 2.92Å
373	L	79.6	Confident	83.9	Confident	22 Å²	22	50.2 Å²	50.2	12%	0.115	26%	0.262	C	S	.	.			trans	-98.2	139.7	-173.3	-58.5	-177.3	0	0	0	112.4	M231 V258 M377 R378 L383 M384 M387	M231-L373 HydrophobicContact SD-CD2 3.57Å; M231-L373 VanDerWaalsContact SD-CD2 3.57Å; V258-L373 HydrophobicContact CG1-CD2 3.86Å; V258-L373 HydrophobicContact CG1-CG 4.33Å; L373-M377 HydrophobicContact CB-CB 4.04Å; L373-M377 HydrophobicContact CD2-CB 4.03Å; L373-M377 HydrophobicContact CD2-CE 3.65Å; L373-M377 HydrophobicContact CD2-SD 4.13Å; L373-M377 HydrophobicContact CG-CB 4.5Å; L373-R378 HydrophobicContact CB-CG 3.88Å; L373-R378 HydrophobicContact CD1-CG 4.19Å; L373-R378 PolarHBondContact O-NE 2.92Å; L373-R378 VanDerWaalsContact O-NE 3.1Å; L373-R378 PolarHBondContact O-NH2 2.74Å; L373-L383 HydrophobicContact CD2-CD2 4.42Å; L373-M384 HydrophobicContact CD1-SD 3.55Å; L373-M384 VanDerWaalsContact CD1-SD 3.55Å; L373-M387 HydrophobicContact CD1-CE 4.04Å; L373-M387 HydrophobicContact CD1-SD 3.98Å; L373-M387 HydrophobicContact CD2-CE 3.92Å; L373-M387 HydrophobicContact CG-CE 4.31Å
374	N	75.4	Confident	83.4	Confident	50 Å²	50	53.3 Å²	53.3	27%	0.267	28%	0.278	S	S	.	.			trans	-76.6	-170.5	167.1	81.2	-4.7	0	0	0	111	E376 M377 R378	N374-E376 PolarHBondContact ND2-OE2 3.39Å; N374-E376 PolarHBondContact OD1-N 2.8Å; N374-E376 VanDerWaalsContact OD1-N 3.1Å; N374-M377 HydrophobicContact CB-SD 4.34Å; N374-M377 WeakPolarHBondContact OD1-CB 3.16Å; N374-M377 WeakPolarHBondContact OD1-CG 3.37Å; N374-M377 PolarHBondContact OD1-N 2.82Å; N374-R378 WeakPolarHBondContact O-CD 3.39Å; N374-R378 WeakPolarHBondContact O-CG 3.25Å; N374-R378 PolarHBondContact O-NE 3.16Å
375	A	67.9	Low	82.9	Confident	78 Å²	78	61.8 Å²	61.8	65%	0.645	31%	0.309	S	S	*	.	H	α-helix	trans	-70.1	-44	179.4	0	0	0	0	0	113.1	M377 R378 S379	A375-M377 PolarHBondContact O-N 2.67Å; A375-R378 WeakPolarHBondContact O-CB 3.33Å; A375-R378 PolarHBondContact O-N 3.48Å; A375-R378 VanDerWaalsContact O-N 3.08Å; A375-S379 PolarHBondContact O-N 3.34Å; A375-S379 VanDerWaalsContact O-N 3.09Å
376	E	72.3	Confident	82.3	Confident	141 Å²	141	62.8 Å²	62.8	66%	0.659	32%	0.318	S	S	*	.	H	α-helix	trans	-65	-40.6	-177.5	-55.2	156.9	151.9	0	0	111.8	N374 R378 S379 N380	N374-E376 PolarHBondContact ND2-OE2 3.39Å; N374-E376 PolarHBondContact OD1-N 2.8Å; N374-E376 VanDerWaalsContact OD1-N 3.1Å; E376-R378 PolarHBondContact O-N 2.92Å; E376-S379 WeakPolarHBondContact CA-OG 3.35Å; E376-S379 PolarHBondContact O-N 3.2Å; E376-S379 PolarHBondContact O-OG 3.34Å; E376-N380 PolarHBondContact O-N 2.8Å
377	M	78.4	Confident	81.8	Confident	31 Å²	31	62.8 Å²	62.8	15%	0.153	32%	0.318	C	S	.	.	H	α-helix	trans	-63.4	-29.2	174.2	-66.8	166.4	97.7	0	0	112.2	M231 R260 L373 N374 A375 L383	M231-M377 HydrophobicContact CE-CE 3.29Å; M231-M377 HydrophobicContact CG-CE 4.47Å; M231-M377 HydrophobicContact SD-CE 3.5Å; M231-M377 WeakPolarHBondContact SD-CE 3.22Å; R260-M377 HydrophobicContact CG-CE 4.13Å; R260-M377 VanDerWaalsContact CZ-SD 3.54Å; L373-M377 HydrophobicContact CB-CB 4.04Å; L373-M377 HydrophobicContact CD2-CB 4.03Å; L373-M377 HydrophobicContact CD2-CE 3.65Å; L373-M377 HydrophobicContact CD2-SD 4.13Å; L373-M377 HydrophobicContact CG-CB 4.5Å; N374-M377 HydrophobicContact CB-SD 4.34Å; N374-M377 WeakPolarHBondContact OD1-CB 3.16Å; N374-M377 WeakPolarHBondContact OD1-CG 3.37Å; N374-M377 PolarHBondContact OD1-N 2.82Å; A375-M377 PolarHBondContact O-N 2.67Å; M377-L383 HydrophobicContact CB-CD2 3.68Å; M377-L383 HydrophobicContact CE-CD2 4.4Å; M377-L383 HydrophobicContact CG-CD2 4.06Å; M377-L383 WeakPolarHBondContact O-CD2 3.42Å
378	R	76.4	Confident	81.2	Confident	164 Å²	164	62.4 Å²	62.4	62%	0.619	32%	0.318	S	S	*	.	H	α-helix	trans	-81.6	-26	176.2	-65.1	168.3	-156.3	-165.9	4.5	112.7	L373 N374 A375 E376 M384	L373-R378 HydrophobicContact CB-CG 3.88Å; L373-R378 HydrophobicContact CD1-CG 4.19Å; L373-R378 PolarHBondContact O-NE 2.92Å; L373-R378 VanDerWaalsContact O-NE 3.1Å; L373-R378 PolarHBondContact O-NH2 2.74Å; N374-R378 WeakPolarHBondContact O-CD 3.39Å; N374-R378 WeakPolarHBondContact O-CG 3.25Å; N374-R378 PolarHBondContact O-NE 3.16Å; A375-R378 WeakPolarHBondContact O-CB 3.33Å; A375-R378 PolarHBondContact O-N 3.48Å; A375-R378 VanDerWaalsContact O-N 3.08Å; E376-R378 PolarHBondContact O-N 2.92Å; R378-M384 WeakPolarHBondContact O-CG 3.3Å
379	S	72.6	Confident	80.6	Confident	97 Å²	97	66.4 Å²	66.4	68%	0.678	35%	0.346	S	S	*	.	H	α-helix	trans	-83.9	-21.7	172	59.1	0	0	0	0	112.9	A375 E376 F381	A375-S379 PolarHBondContact O-N 3.34Å; A375-S379 VanDerWaalsContact O-N 3.09Å; E376-S379 WeakPolarHBondContact CA-OG 3.35Å; E376-S379 PolarHBondContact O-N 3.2Å; E376-S379 PolarHBondContact O-OG 3.34Å; S379-F381 PolarHBondContact O-N 2.99Å
380	N	80.6	Confident	80	Confident	58 Å²	58	70.2 Å²	70.2	31%	0.31	36%	0.361	S	S	.	.			trans	-65.2	100.7	170.6	-174.4	-31.4	0	0	0	111.1	E376 Q382 L383 M384	E376-N380 PolarHBondContact O-N 2.8Å; N380-Q382 VanDerWaalsContact C-N 3.32Å; N380-Q382 PolarHBondContact O-N 3.34Å; N380-Q382 WeakPolarHBondContact OD1-CB 3.48Å; N380-Q382 PolarHBondContact OD1-N 3.49Å; N380-L383 HydrophobicContact CB-CB 4.11Å; N380-L383 PolarHBondContact O-N 3Å; N380-L383 PolarHBondContact OD1-N 3.07Å; N380-M384 WeakPolarHBondContact O-CB 3.44Å; N380-M384 WeakPolarHBondContact O-CG 3.48Å; N380-M384 PolarHBondContact O-N 2.71Å
381	F	79.6	Confident	79.8	Confident	158 Å²	158	72.2 Å²	72.2	69%	0.693	37%	0.373	S	S	*	.	H	α-helix	trans	-64.6	-30.4	-179.1	-175.4	-95.2	0	0	0	113.7	S379 R385	S379-F381 PolarHBondContact O-N 2.99Å; F381-R385 WeakPolarHBondContact O-CB 3.32Å; F381-R385 PolarHBondContact O-N 2.85Å
382	Q	84.3	Confident	79.8	Confident	136 Å²	136	77.7 Å²	77.7	64%	0.636	39%	0.391	S	S	*	.	H	α-helix	trans	-69.1	-50	178.8	-66	172.9	-28.1	0	0	110.5	F229 N380 M384 R385 A386	F229-Q382 HydrophobicContact CE1-CB 4.42Å; F229-Q382 HydrophobicContact CZ-CB 3.89Å; N380-Q382 VanDerWaalsContact C-N 3.32Å; N380-Q382 PolarHBondContact O-N 3.34Å; N380-Q382 WeakPolarHBondContact OD1-CB 3.48Å; N380-Q382 PolarHBondContact OD1-N 3.49Å; Q382-M384 PolarHBondContact O-N 3.4Å; Q382-R385 WeakPolarHBondContact O-CB 2.97Å; Q382-R385 PolarHBondContact O-N 2.87Å; Q382-A386 WeakPolarHBondContact O-CB 3.22Å; Q382-A386 PolarHBondContact O-N 3.44Å
383	L	84.5	Confident	80	Confident	4 Å²	4	76.6 Å²	76.6	2%	0.021	38%	0.379	C	S	.	.	H	α-helix	trans	-57.7	-49.3	173.3	168.2	57.1	0	0	0	111.5	F229 M231 L373 M377 N380 R385 A386 M387	F229-L383 HydrophobicContact CB-CD1 3.85Å; F229-L383 HydrophobicContact CD1-CB 3.91Å; F229-L383 HydrophobicContact CD1-CD1 4.39Å; F229-L383 HydrophobicContact CD2-CB 4.41Å; F229-L383 HydrophobicContact CD2-CD1 4.03Å; F229-L383 HydrophobicContact CE1-CB 3.96Å; F229-L383 HydrophobicContact CE2-CB 4.47Å; F229-L383 HydrophobicContact CG-CB 4.15Å; F229-L383 HydrophobicContact CG-CD1 3.83Å; F229-L383 HydrophobicContact CG-CG 4.47Å; F229-L383 HydrophobicContact CZ-CB 4.26Å; M231-L383 HydrophobicContact CE-CD1 3.46Å; M231-L383 VanDerWaalsContact CE-CD1 3.46Å; M231-L383 HydrophobicContact CE-CD2 3.67Å; M231-L383 HydrophobicContact CE-CG 4.23Å; M231-L383 HydrophobicContact SD-CD1 4.1Å; L373-L383 HydrophobicContact CD2-CD2 4.42Å; M377-L383 HydrophobicContact CB-CD2 3.68Å; M377-L383 HydrophobicContact CE-CD2 4.4Å; M377-L383 HydrophobicContact CG-CD2 4.06Å; M377-L383 WeakPolarHBondContact O-CD2 3.42Å; N380-L383 HydrophobicContact CB-CB 4.11Å; N380-L383 PolarHBondContact O-N 3Å; N380-L383 PolarHBondContact OD1-N 3.07Å; L383-R385 VanDerWaalsContact C-N 3.27Å; L383-R385 PolarHBondContact O-N 2.92Å; L383-A386 PolarHBondContact O-N 3.42Å; L383-M387 HydrophobicContact CD1-CE 4.42Å; L383-M387 WeakPolarHBondContact O-CB 3.45Å; L383-M387 PolarHBondContact O-N 2.78Å
384	M	84.3	Confident	80.5	Confident	68 Å²	68	79.4 Å²	79.4	34%	0.335	39%	0.394	S	S	.	.	H	α-helix	trans	-64.2	-31.6	178.9	-71.9	-57.2	-54.6	0	0	112.4	L373 R378 N380 Q382 S388	L373-M384 HydrophobicContact CD1-SD 3.55Å; L373-M384 VanDerWaalsContact CD1-SD 3.55Å; R378-M384 WeakPolarHBondContact O-CG 3.3Å; N380-M384 WeakPolarHBondContact O-CB 3.44Å; N380-M384 WeakPolarHBondContact O-CG 3.48Å; N380-M384 PolarHBondContact O-N 2.71Å; Q382-M384 PolarHBondContact O-N 3.4Å; M384-S388 WeakPolarHBondContact O-CB 3.33Å; M384-S388 PolarHBondContact O-N 3.17Å; M384-S388 PolarHBondContact O-OG 3.34Å
385	R	84.3	Confident	81.2	Confident	177 Å²	177	77 Å²	77	67%	0.668	38%	0.382	S	S	*	.	H	α-helix	trans	-67.8	-50.2	171.9	-179.3	-180	175.7	-170.7	-2.5	111.2	F381 Q382 L383 M387 S388 S389	F381-R385 WeakPolarHBondContact O-CB 3.32Å; F381-R385 PolarHBondContact O-N 2.85Å; Q382-R385 WeakPolarHBondContact O-CB 2.97Å; Q382-R385 PolarHBondContact O-N 2.87Å; L383-R385 VanDerWaalsContact C-N 3.27Å; L383-R385 PolarHBondContact O-N 2.92Å; R385-M387 PolarHBondContact O-N 2.86Å; R385-S388 WeakPolarHBondContact CA-OG 3.41Å; R385-S388 PolarHBondContact O-N 2.73Å; R385-S388 PolarHBondContact O-OG 3.29Å; R385-S389 PolarHBondContact O-N 3.27Å
386	A	84	Confident	82.2	Confident	22 Å²	22	79.7 Å²	79.7	18%	0.182	38%	0.379	C	S	.	.	H	α-helix	trans	-59.8	-45.1	178.3	0	0	0	0	0	112	F229 Q382 L383 S388 S389 Y390	F229-A386 HydrophobicContact CE2-CB 4.12Å; Q382-A386 WeakPolarHBondContact O-CB 3.22Å; Q382-A386 PolarHBondContact O-N 3.44Å; L383-A386 PolarHBondContact O-N 3.42Å; A386-S388 VanDerWaalsContact C-N 3.3Å; A386-S388 PolarHBondContact O-N 2.91Å; A386-S389 PolarHBondContact O-N 2.67Å; A386-S389 PolarHBondContact O-OG 2.86Å; A386-Y390 VanDerWaalsContact O-CD2 3.3Å; A386-Y390 WeakPolarHBondContact O-CD2 3.42Å
387	M	83.8	Confident	83	Confident	13 Å²	13	77.8 Å²	77.8	6%	0.064	37%	0.37	C	S	.	.	H	α-helix	trans	-65.6	-33.2	173	-176	175	-64.5	0	0	112.5	M231 L233 V258 L373 L383 R385 S389 Y390 T391	M231-M387 HydrophobicContact SD-CE 4.17Å; L233-M387 HydrophobicContact CD1-CG 4.45Å; V258-M387 HydrophobicContact CB-CE 4.31Å; V258-M387 HydrophobicContact CG1-CE 3.7Å; V258-M387 HydrophobicContact CG2-CE 3.57Å; V258-M387 HydrophobicContact CG2-SD 3.65Å; L373-M387 HydrophobicContact CD1-CE 4.04Å; L373-M387 HydrophobicContact CD1-SD 3.98Å; L373-M387 HydrophobicContact CD2-CE 3.92Å; L373-M387 HydrophobicContact CG-CE 4.31Å; L383-M387 HydrophobicContact CD1-CE 4.42Å; L383-M387 WeakPolarHBondContact O-CB 3.45Å; L383-M387 PolarHBondContact O-N 2.78Å; R385-M387 PolarHBondContact O-N 2.86Å; M387-S389 VanDerWaalsContact C-N 3.34Å; M387-S389 PolarHBondContact O-N 3.42Å; M387-Y390 PolarHBondContact O-N 2.77Å; M387-T391 HydrophobicContact CG-CG2 4.03Å; M387-T391 WeakPolarHBondContact O-CB 3.42Å; M387-T391 WeakPolarHBondContact O-CG2 3.09Å; M387-T391 PolarHBondContact O-N 2.85Å; M387-T391 PolarHBondContact O-OG1 3.1Å
388	S	81.3	Confident	83.5	Confident	17 Å²	17	76.9 Å²	76.9	12%	0.119	37%	0.365	C	S	.	.	H	α-helix	trans	-68.9	-27.7	-179.6	75.7	0	0	0	0	114	M384 R385 A386 T391 R392	M384-S388 WeakPolarHBondContact O-CB 3.33Å; M384-S388 PolarHBondContact O-N 3.17Å; M384-S388 PolarHBondContact O-OG 3.34Å; R385-S388 WeakPolarHBondContact CA-OG 3.41Å; R385-S388 PolarHBondContact O-N 2.73Å; R385-S388 PolarHBondContact O-OG 3.29Å; A386-S388 VanDerWaalsContact C-N 3.3Å; A386-S388 PolarHBondContact O-N 2.91Å; S388-T391 WeakPolarHBondContact CA-OG1 3.34Å; S388-R392 WeakPolarHBondContact O-CB 3.29Å; S388-R392 WeakPolarHBondContact O-CG 3.26Å; S388-R392 PolarHBondContact O-N 3.29Å
389	S	79.9	Confident	84.1	Confident	84 Å²	84	69.2 Å²	69.2	59%	0.587	34%	0.336	S	S	*	.	H	α-helix	trans	-65.5	-40.4	177.2	62.2	0	0	0	0	111.7	R385 A386 M387	R385-S389 PolarHBondContact O-N 3.27Å; A386-S389 PolarHBondContact O-N 2.67Å; A386-S389 PolarHBondContact O-OG 2.86Å; M387-S389 VanDerWaalsContact C-N 3.34Å; M387-S389 PolarHBondContact O-N 3.42Å
390	Y	78	Confident	84.9	Confident	107 Å²	107	67.7 Å²	67.7	42%	0.42	32%	0.32	S	S	.	.	H	α-helix	trans	-76.2	-38	176	-59.5	-69.6	0	0	0	112.9	I224 I226 A386 M387	I224-Y390 HydrophobicContact CD1-CD1 3.88Å; I224-Y390 HydrophobicContact CD1-CE1 4.42Å; I224-Y390 HydrophobicContact CD1-CG 4.42Å; I224-Y390 HydrophobicContact CG2-CD1 4.13Å; I224-Y390 HydrophobicContact CG2-CD2 4.48Å; I224-Y390 HydrophobicContact CG2-CE1 3.92Å; I224-Y390 HydrophobicContact CG2-CE2 4.29Å; I224-Y390 HydrophobicContact CG2-CG 4.41Å; I226-Y390 HydrophobicContact CD1-CD2 4.13Å; I226-Y390 HydrophobicContact CD1-CE2 4.27Å; I226-Y390 HydrophobicContact CG1-CE2 4.38Å; A386-Y390 VanDerWaalsContact O-CD2 3.3Å; A386-Y390 WeakPolarHBondContact O-CD2 3.42Å; M387-Y390 PolarHBondContact O-N 2.77Å
391	T	82.9	Confident	85.3	Confident	42 Å²	42	70.4 Å²	70.4	26%	0.258	33%	0.326	S	S	.	.	H	α-helix	trans	-87.1	-27.2	-173.3	55.9	0	0	0	0	114.9	L233 H256 M387 S388 M393	L233-T391 HydrophobicContact CD1-CG2 3.87Å; H256-T391 HydrophobicContact CB-CG2 4.18Å; M387-T391 HydrophobicContact CG-CG2 4.03Å; M387-T391 WeakPolarHBondContact O-CB 3.42Å; M387-T391 WeakPolarHBondContact O-CG2 3.09Å; M387-T391 PolarHBondContact O-N 2.85Å; M387-T391 PolarHBondContact O-OG1 3.1Å; S388-T391 WeakPolarHBondContact CA-OG1 3.34Å; T391-M393 PolarHBondContact O-N 2.75Å
392	R	84.6	Confident	85.8	Confident	135 Å²	135	63 Å²	63	51%	0.509	29%	0.293	S	S	.	.			trans	-90.6	64.9	-178.9	-62	-176.4	-176	164.3	9	112.9	S388 Q768	S388-R392 WeakPolarHBondContact O-CB 3.29Å; S388-R392 WeakPolarHBondContact O-CG 3.26Å; S388-R392 PolarHBondContact O-N 3.29Å; R392-Q768 VanDerWaalsContact NH1-OE1 3.14Å
393	M	86.1	Confident	86.1	Confident	4 Å²	4	61.8 Å²	61.8	2%	0.02	28%	0.283	C	S	.	.			trans	-64	136.7	176.3	-64.7	171.1	-64.3	0	0	112.4	I254 T391 Q397 R398 R401 G769 T770	I254-M393 HydrophobicContact CB-CE 3.75Å; I254-M393 HydrophobicContact CD1-CE 3.93Å; I254-M393 HydrophobicContact CD1-SD 4.12Å; I254-M393 HydrophobicContact CG1-CE 4.42Å; I254-M393 HydrophobicContact CG2-CE 3.75Å; I254-M393 HydrophobicContact CG2-SD 4.43Å; T391-M393 PolarHBondContact O-N 2.75Å; M393-Q397 HydrophobicContact CB-CB 4.38Å; M393-R398 HydrophobicContact CB-CB 4.49Å; M393-R401 VanDerWaalsContact SD-CD 3.54Å; M393-G769 CarbonylContact O-C 3.51Å; M393-G769 VanDerWaalsContact O-CA 3.31Å; M393-G769 WeakPolarHBondContact O-CA 3.48Å; M393-T770 PolarHBondContact O-N 2.77Å; M393-T770 PolarHBondContact O-OG1 2.99Å
394	N	88.6	Confident	86.4	Confident	81 Å²	81	64.4 Å²	64.4	43%	0.433	31%	0.305	S	S	.	.			trans	-63.2	148.6	165.9	177.3	-70.2	0	0	0	110.1	K396 Q397 R398	N394-K396 PolarHBondContact O-N 3.4Å; N394-K396 PolarHBondContact OD1-N 3.02Å; N394-Q397 HydrophobicContact CB-CB 4.36Å; N394-Q397 HydrophobicContact CB-CG 4.16Å; N394-Q397 VanDerWaalsContact N-OE1 3.08Å; N394-Q397 WeakPolarHBondContact O-CB 3.45Å; N394-Q397 PolarHBondContact O-N 2.85Å; N394-Q397 VanDerWaalsContact O-N 3.11Å; N394-R398 PolarHBondContact O-N 2.71Å
395	P	90.3	Very high	86.6	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.006	29%	0.29	C	S	.	.	H	α-helix	trans	-35.2	-60.1	170.1	-38.7	40.7	0	0	0	115.8	Q397 R398 T399 F735 G738 N740	P395-Q397 VanDerWaalsContact C-N 3.35Å; P395-Q397 PolarHBondContact O-N 3.05Å; P395-R398 WeakPolarHBondContact O-CA 3.39Å; P395-R398 WeakPolarHBondContact O-CB 3.46Å; P395-R398 PolarHBondContact O-N 2.88Å; P395-T399 PolarHBondContact O-N 2.86Å; P395-T399 PolarHBondContact O-OG1 2.98Å; P395-F735 HydrophobicContact CB-CD1 3.83Å; P395-F735 HydrophobicContact CB-CE1 4.19Å; P395-F735 HydrophobicContact CG-CD1 4.44Å; P395-G738 VanDerWaalsContact CB-O 3.26Å; P395-G738 WeakPolarHBondContact CB-O 3.17Å; P395-N740 HydrophobicContact CG-CB 4.27Å; P395-N740 VanDerWaalsContact CG-CG 3.44Å; P395-N740 WeakPolarHBondContact CG-OD1 3.49Å
396	K	88.9	Confident	87	Confident	134 Å²	134	53 Å²	53	58%	0.583	26%	0.259	S	S	*	.	H	α-helix	trans	-56.3	-48.1	-179.7	-177.1	174.1	-178.8	-179.5	0	111.8	N394 R398 T399 D400 G738	N394-K396 PolarHBondContact O-N 3.4Å; N394-K396 PolarHBondContact OD1-N 3.02Å; K396-R398 PolarHBondContact O-N 3.39Å; K396-T399 PolarHBondContact O-N 3.04Å; K396-D400 WeakPolarHBondContact CG-OD2 3.41Å; K396-D400 WeakPolarHBondContact O-CB 3.35Å; K396-D400 VanDerWaalsContact O-CG 3.23Å; K396-D400 PolarHBondContact O-N 2.94Å; K396-G738 PolarHBondContact N-O 3.2Å
397	Q	89.3	Confident	87.4	Confident	100 Å²	100	57.6 Å²	57.6	47%	0.467	28%	0.276	S	S	.	.	H	α-helix	trans	-61.6	-23.5	176.7	-66.8	177.5	-30.8	0	0	114.3	M393 N394 P395 R401	M393-Q397 HydrophobicContact CB-CB 4.38Å; N394-Q397 HydrophobicContact CB-CB 4.36Å; N394-Q397 HydrophobicContact CB-CG 4.16Å; N394-Q397 VanDerWaalsContact N-OE1 3.08Å; N394-Q397 WeakPolarHBondContact O-CB 3.45Å; N394-Q397 PolarHBondContact O-N 2.85Å; N394-Q397 VanDerWaalsContact O-N 3.11Å; P395-Q397 VanDerWaalsContact C-N 3.35Å; P395-Q397 PolarHBondContact O-N 3.05Å; Q397-R401 WeakPolarHBondContact O-CG 3.33Å; Q397-R401 PolarHBondContact O-NH1 2.67Å
398	R	90	Very high	87.8	Confident	13 Å²	13	61.1 Å²	61.1	5%	0.049	29%	0.289	C	S	.	.	H	α-helix	trans	-82.1	-48.1	173	-175.8	178.8	-61.9	-84.3	-6.4	110.4	E253 I254 M393 N394 P395 K396 D400 R401 L402 F735 T770	E253-R398 IonicContact OE1-CZ 2.66Å; E253-R398 IonicContact OE1-NH1 3.94Å; E253-R398 PolarHBondContact OE1-NH1 2.81Å; E253-R398 IonicContact OE2-CZ 2.71Å; E253-R398 IonicContact OE2-NE 3.4Å; E253-R398 IonicContact OE2-NH1 3.62Å; E253-R398 PolarHBondContact OE2-NH1 2.86Å; I254-R398 HydrophobicContact CD1-CG 3.92Å; I254-R398 HydrophobicContact CG1-CG 4.36Å; I254-R398 PolarHBondContact O-NH1 2.83Å; M393-R398 HydrophobicContact CB-CB 4.49Å; N394-R398 PolarHBondContact O-N 2.71Å; P395-R398 WeakPolarHBondContact O-CA 3.39Å; P395-R398 WeakPolarHBondContact O-CB 3.46Å; P395-R398 PolarHBondContact O-N 2.88Å; K396-R398 PolarHBondContact O-N 3.39Å; R398-D400 VanDerWaalsContact C-N 3.32Å; R398-D400 PolarHBondContact O-N 2.62Å; R398-R401 PolarHBondContact O-N 2.92Å; R398-L402 HydrophobicContact CG-CD1 4Å; R398-L402 WeakPolarHBondContact O-CD1 3.42Å; R398-L402 PolarHBondContact O-N 2.68Å; R398-F735 HydrophobicContact CG-CZ 4.32Å; R398-T770 PolarHBondContact NE-OG1 2.86Å; R398-T770 PolarHBondContact NH2-OG1 2.8Å
399	T	88.6	Confident	88.3	Confident	3 Å²	3	60.4 Å²	60.4	2%	0.018	28%	0.284	C	S	.	.	H	α-helix	trans	-58.6	-42	177.5	-50.7	0	0	0	0	111.9	P395 K396 L402 R403	P395-T399 PolarHBondContact O-N 2.86Å; P395-T399 PolarHBondContact O-OG1 2.98Å; K396-T399 PolarHBondContact O-N 3.04Å; T399-L402 WeakPolarHBondContact O-CB 3.45Å; T399-L402 PolarHBondContact O-N 2.81Å; T399-R403 WeakPolarHBondContact O-CG 3.5Å; T399-R403 PolarHBondContact O-N 2.9Å
400	D	89.3	Confident	88.9	Confident	64 Å²	64	58.4 Å²	58.4	34%	0.342	27%	0.265	S	S	.	.	H	α-helix	trans	-68.9	-36.6	-179.8	-63.9	-26.4	0	0	0	112.3	K396 R398 R403 A404	K396-D400 WeakPolarHBondContact CG-OD2 3.41Å; K396-D400 WeakPolarHBondContact O-CB 3.35Å; K396-D400 VanDerWaalsContact O-CG 3.23Å; K396-D400 PolarHBondContact O-N 2.94Å; R398-D400 VanDerWaalsContact C-N 3.32Å; R398-D400 PolarHBondContact O-N 2.62Å; D400-R403 PolarHBondContact O-N 2.94Å; D400-R403 IonicContact OD1-CZ 3.85Å; D400-R403 IonicContact OD1-NH1 3.84Å; D400-R403 PolarHBondContact OD1-NH1 3.13Å; D400-A404 WeakPolarHBondContact O-CB 3.39Å; D400-A404 PolarHBondContact O-N 3.17Å
401	R	89.1	Confident	89.6	Confident	116 Å²	116	58.1 Å²	58.1	44%	0.438	27%	0.271	S	S	.	.	H	α-helix	trans	-68	-34.5	170.2	-78.7	177.8	179.3	78.9	-4	112.7	I254 M393 Q397 R398 A404 F405	I254-R401 HydrophobicContact CD1-CB 3.35Å; I254-R401 HydrophobicContact CD1-CG 4.23Å; M393-R401 VanDerWaalsContact SD-CD 3.54Å; Q397-R401 WeakPolarHBondContact O-CG 3.33Å; Q397-R401 PolarHBondContact O-NH1 2.67Å; R398-R401 PolarHBondContact O-N 2.92Å; R401-A404 PolarHBondContact O-N 3.19Å; R401-F405 PolarHBondContact O-N 2.8Å
402	L	90.3	Very high	90.2	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-63.3	-43.6	172.4	-109	94.3	0	0	0	111.8	N102 F104 I254 R398 T399 F405 N406	N102-L402 HydrophobicContact CB-CD2 3.58Å; F104-L402 HydrophobicContact CE2-CD2 3.9Å; F104-L402 HydrophobicContact CZ-CB 4.28Å; F104-L402 HydrophobicContact CZ-CD2 3.98Å; F104-L402 HydrophobicContact CZ-CG 4.49Å; I254-L402 HydrophobicContact CD1-CD1 4.1Å; I254-L402 HydrophobicContact CG1-CD1 3.88Å; R398-L402 HydrophobicContact CG-CD1 4Å; R398-L402 WeakPolarHBondContact O-CD1 3.42Å; R398-L402 PolarHBondContact O-N 2.68Å; T399-L402 WeakPolarHBondContact O-CB 3.45Å; T399-L402 PolarHBondContact O-N 2.81Å; L402-F405 PolarHBondContact O-N 2.7Å; L402-N406 PolarHBondContact O-N 2.79Å
403	R	90.1	Very high	90.6	Very high	112 Å²	112	55 Å²	55	42%	0.423	27%	0.269	S	S	.	.	H	α-helix	trans	-60.5	-45.6	173.3	-70.2	169	176.7	142.9	-3	111.1	T399 D400 F405 N406 H407	T399-R403 WeakPolarHBondContact O-CG 3.5Å; T399-R403 PolarHBondContact O-N 2.9Å; D400-R403 PolarHBondContact O-N 2.94Å; D400-R403 IonicContact OD1-CZ 3.85Å; D400-R403 IonicContact OD1-NH1 3.84Å; D400-R403 PolarHBondContact OD1-NH1 3.13Å; R403-F405 VanDerWaalsContact C-N 3.33Å; R403-F405 PolarHBondContact O-N 2.76Å; R403-N406 PolarHBondContact O-N 3.13Å; R403-H407 WeakPolarHBondContact O-CB 3.18Å; R403-H407 PolarHBondContact O-N 3.33Å
404	A	90.6	Very high	90.9	Very high	59 Å²	59	60.2 Å²	60.2	49%	0.488	29%	0.293	S	S	.	.	H	α-helix	trans	-61.8	-38.1	176.5	0	0	0	0	0	112.9	D400 R401 R408	D400-A404 WeakPolarHBondContact O-CB 3.39Å; D400-A404 PolarHBondContact O-N 3.17Å; R401-A404 PolarHBondContact O-N 3.19Å; A404-R408 WeakPolarHBondContact O-CB 3.49Å; A404-R408 PolarHBondContact O-N 2.98Å
405	F	89.8	Confident	91.1	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.009	27%	0.272	C	S	.	.	H	α-helix	trans	-64.1	-48.8	172.8	171.7	-99.1	0	0	0	112.4	M205 L208 Y237 T239 T252 R401 L402 R403 H407 R408 L409	M205-F405 HydrophobicContact CE-CE1 4.39Å; M205-F405 HydrophobicContact CE-CZ 3.85Å; M205-F405 HydrophobicContact SD-CZ 3.89Å; L208-F405 HydrophobicContact CD1-CE2 3.75Å; L208-F405 HydrophobicContact CD1-CZ 4.23Å; Y237-F405 HydrophobicContact CD1-CB 4.29Å; Y237-F405 AromaticContact CD1-CD2 3.69Å; Y237-F405 HydrophobicContact CD1-CD2 3.69Å; Y237-F405 HydrophobicContact CD1-CE2 4.11Å; Y237-F405 AromaticContact CD1-CG 3.9Å; Y237-F405 HydrophobicContact CD1-CG 3.9Å; Y237-F405 AromaticContact CD2-CD2 3.59Å; Y237-F405 HydrophobicContact CD2-CD2 3.59Å; Y237-F405 AromaticContact CD2-CE2 3.59Å; Y237-F405 HydrophobicContact CD2-CE2 3.59Å; Y237-F405 HydrophobicContact CE1-CB 3.66Å; Y237-F405 AromaticContact CE1-CD2 3.59Å; Y237-F405 HydrophobicContact CE1-CD2 3.59Å; Y237-F405 HydrophobicContact CE1-CE2 4.42Å; Y237-F405 AromaticContact CE1-CG 3.73Å; Y237-F405 HydrophobicContact CE1-CG 3.73Å; Y237-F405 AromaticContact CE2-CD2 3.49Å; Y237-F405 HydrophobicContact CE2-CD2 3.49Å; Y237-F405 VanDerWaalsContact CE2-CD2 3.49Å; Y237-F405 AromaticContact CE2-CE2 3.94Å; Y237-F405 HydrophobicContact CE2-CE2 3.94Å; Y237-F405 HydrophobicContact CE2-CG 4.44Å; Y237-F405 AromaticContact CG-CD2 3.69Å; Y237-F405 HydrophobicContact CG-CD2 3.69Å; Y237-F405 AromaticContact CG-CE2 3.68Å; Y237-F405 HydrophobicContact CG-CE2 3.68Å; Y237-F405 HydrophobicContact CG-CG 4.33Å; Y237-F405 HydrophobicContact CG-CZ 4.32Å; Y237-F405 AromaticContact CZ-CD2 3.48Å; Y237-F405 VanDerWaalsContact CZ-CD2 3.48Å; T239-F405 HydrophobicContact CG2-CZ 4.47Å; T252-F405 HydrophobicContact CG2-CD1 3.82Å; T252-F405 HydrophobicContact CG2-CE1 3.73Å; T252-F405 HydrophobicContact CG2-CG 4.49Å; T252-F405 HydrophobicContact CG2-CZ 4.34Å; R401-F405 PolarHBondContact O-N 2.8Å; L402-F405 PolarHBondContact O-N 2.7Å; R403-F405 VanDerWaalsContact C-N 3.33Å; R403-F405 PolarHBondContact O-N 2.76Å; F405-H407 VanDerWaalsContact C-N 3.32Å; F405-H407 PolarHBondContact O-N 3.22Å; F405-R408 PolarHBondContact O-N 3.28Å; F405-L409 HydrophobicContact CE1-CD1 4.22Å; F405-L409 HydrophobicContact CZ-CD1 4.11Å; F405-L409 PolarHBondContact O-N 2.73Å
406	N	91.9	Very high	91.2	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-59.4	-45	177.2	-169.3	16.1	0	0	0	110.7	F104 L402 R403 R408 L409 Q410 L426 D427 K428	F104-N406 HydrophobicContact CD1-CB 4.39Å; F104-N406 VanDerWaalsContact CD1-ND2 3.26Å; F104-N406 WeakPolarHBondContact CD1-ND2 3.41Å; F104-N406 HydrophobicContact CE1-CB 3.82Å; F104-N406 VanDerWaalsContact CE1-ND2 3.28Å; F104-N406 WeakPolarHBondContact CE1-ND2 3.33Å; F104-N406 HydrophobicContact CE2-CB 4.32Å; F104-N406 HydrophobicContact CZ-CB 3.77Å; L402-N406 PolarHBondContact O-N 2.79Å; R403-N406 PolarHBondContact O-N 3.13Å; N406-R408 PolarHBondContact O-N 2.93Å; N406-L409 PolarHBondContact O-N 2.96Å; N406-Q410 PolarHBondContact ND2-NE2 3.11Å; N406-Q410 WeakPolarHBondContact O-CG 3.24Å; N406-Q410 PolarHBondContact O-N 2.99Å; N406-Q410 PolarHBondContact OD1-NE2 3.31Å; N406-L426 WeakPolarHBondContact OD1-CD2 3.29Å; N406-D427 PolarHBondContact ND2-O 2.85Å; N406-K428 WeakPolarHBondContact ND2-CA 3.39Å; N406-K428 PolarHBondContact ND2-O 2.83Å
407	H	93.3	Very high	91.3	Very high	117 Å²	117	57.7 Å²	57.7	54%	0.542	28%	0.28	S	S	.	.	H	α-helix	trans	-62.4	-43	176.9	-168.7	52.5	0	0	0	112.5	R403 F405 L409 Q410 N411	R403-H407 WeakPolarHBondContact O-CB 3.18Å; R403-H407 PolarHBondContact O-N 3.33Å; F405-H407 VanDerWaalsContact C-N 3.32Å; F405-H407 PolarHBondContact O-N 3.22Å; H407-L409 VanDerWaalsContact C-N 3.33Å; H407-L409 PolarHBondContact O-N 2.98Å; H407-Q410 PolarHBondContact O-N 2.98Å; H407-N411 PolarHBondContact CD2-ND2 2.84Å; H407-N411 PolarHBondContact CE1-ND2 2.78Å; H407-N411 PolarHBondContact CE1-OD1 2.87Å; H407-N411 VanDerWaalsContact CE1-OD1 3.29Å; H407-N411 PolarHBondContact ND1-OD1 3.32Å; H407-N411 PolarHBondContact NE2-ND2 2.88Å; H407-N411 WeakPolarHBondContact O-CB 3.46Å; H407-N411 PolarHBondContact O-N 2.89Å; H407-N411 PolarHBondContact O-OD1 2.82Å
408	R	92.1	Very high	91.3	Very high	88 Å²	88	53.6 Å²	53.6	33%	0.332	26%	0.262	S	S	.	.	H	α-helix	trans	-58	-44.2	172.5	-179.1	-178	167.8	169.3	-8.6	111.5	L208 D219 A404 F405 N406 N411 T412	L208-R408 HydrophobicContact CD2-CG 3.84Å; L208-R408 PolarHBondContact O-NH2 2.77Å; D219-R408 IonicContact OD2-CZ 2.75Å; D219-R408 VanDerWaalsContact OD2-CZ 3.31Å; D219-R408 IonicContact OD2-NH1 2.69Å; D219-R408 PolarHBondContact OD2-NH1 3.45Å; D219-R408 IonicContact OD2-NH2 2.74Å; D219-R408 PolarHBondContact OD2-NH2 3.24Å; A404-R408 WeakPolarHBondContact O-CB 3.49Å; A404-R408 PolarHBondContact O-N 2.98Å; F405-R408 PolarHBondContact O-N 3.28Å; N406-R408 PolarHBondContact O-N 2.93Å; R408-N411 PolarHBondContact O-N 2.88Å; R408-T412 WeakPolarHBondContact O-CB 3.32Å; R408-T412 PolarHBondContact O-N 3.21Å; R408-T412 VanDerWaalsContact O-N 3.16Å; R408-T412 PolarHBondContact O-OG1 3.28Å
409	L	90.8	Very high	91.3	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-64.7	-43.1	178.6	-161.8	161.5	0	0	0	111.7	M205 L208 F405 N406 H407 T412 L419 L426	M205-L409 HydrophobicContact CE-CD1 3.5Å; M205-L409 VanDerWaalsContact CE-CD1 3.5Å; M205-L409 HydrophobicContact SD-CD1 3.87Å; L208-L409 HydrophobicContact CD1-CB 4.39Å; L208-L409 HydrophobicContact CD1-CD1 4.27Å; L208-L409 HydrophobicContact CD1-CG 4.28Å; L208-L409 HydrophobicContact CD2-CB 4.26Å; F405-L409 HydrophobicContact CE1-CD1 4.22Å; F405-L409 HydrophobicContact CZ-CD1 4.11Å; F405-L409 PolarHBondContact O-N 2.73Å; N406-L409 PolarHBondContact O-N 2.96Å; H407-L409 VanDerWaalsContact C-N 3.33Å; H407-L409 PolarHBondContact O-N 2.98Å; L409-T412 PolarHBondContact O-N 2.9Å; L409-L419 HydrophobicContact CD2-CD1 4.02Å; L409-L426 HydrophobicContact CD1-CD2 4.32Å; L409-L426 HydrophobicContact CD2-CD2 3.92Å
410	Q	91.5	Very high	91.4	Very high	43 Å²	43	62 Å²	62	20%	0.201	30%	0.295	C	S	.	.	H	α-helix	trans	-74.9	-19.3	178.1	-65.9	-166.8	31.5	0	0	114.6	N406 H407 V416 L426	N406-Q410 PolarHBondContact ND2-NE2 3.11Å; N406-Q410 WeakPolarHBondContact O-CG 3.24Å; N406-Q410 PolarHBondContact O-N 2.99Å; N406-Q410 PolarHBondContact OD1-NE2 3.31Å; H407-Q410 PolarHBondContact O-N 2.98Å; Q410-V416 VanDerWaalsContact O-CG2 3.22Å; Q410-V416 WeakPolarHBondContact O-CG2 3.4Å; Q410-L426 PolarHBondContact NE2-O 2.82Å
411	N	94.3	Very high	91.4	Very high	101 Å²	101	60.1 Å²	60.1	54%	0.54	28%	0.284	S	S	.	.	H	α-helix	trans	-90.6	-12.9	174.4	-65.1	-1.2	0	0	0	112.8	H407 R408 P413	H407-N411 PolarHBondContact CD2-ND2 2.84Å; H407-N411 PolarHBondContact CE1-ND2 2.78Å; H407-N411 PolarHBondContact CE1-OD1 2.87Å; H407-N411 VanDerWaalsContact CE1-OD1 3.29Å; H407-N411 PolarHBondContact ND1-OD1 3.32Å; H407-N411 PolarHBondContact NE2-ND2 2.88Å; H407-N411 WeakPolarHBondContact O-CB 3.46Å; H407-N411 PolarHBondContact O-N 2.89Å; H407-N411 PolarHBondContact O-OD1 2.82Å; R408-N411 PolarHBondContact O-N 2.88Å; N411-P413 WeakPolarHBondContact O-CD 3.2Å
412	T	95.3	Very high	91.5	Very high	23 Å²	23	54.7 Å²	54.7	14%	0.141	26%	0.264	C	S	.	.			trans	-87.7	108.5	-179.7	-59.9	0	0	0	0	109.5	G207 L208 R408 L409 E414 S415 V416	G207-T412 WeakPolarHBondContact O-CG2 3.39Å; L208-T412 HydrophobicContact CD2-CG2 4.43Å; L208-T412 WeakPolarHBondContact CD2-OG1 3.11Å; R408-T412 WeakPolarHBondContact O-CB 3.32Å; R408-T412 PolarHBondContact O-N 3.21Å; R408-T412 VanDerWaalsContact O-N 3.16Å; R408-T412 PolarHBondContact O-OG1 3.28Å; L409-T412 PolarHBondContact O-N 2.9Å; T412-E414 VanDerWaalsContact C-N 3.29Å; T412-E414 VanDerWaalsContact CG2-OE2 3.27Å; T412-E414 WeakPolarHBondContact CG2-OE2 3.48Å; T412-E414 PolarHBondContact O-N 3.33Å; T412-S415 VanDerWaalsContact CG2-OG 3.3Å; T412-S415 WeakPolarHBondContact CG2-OG 3.19Å; T412-S415 WeakPolarHBondContact O-CB 3.37Å; T412-S415 PolarHBondContact O-N 3.49Å; T412-S415 VanDerWaalsContact O-N 3.09Å; T412-V416 PolarHBondContact O-N 3.28Å
413	P	93.6	Very high	91.5	Very high	89 Å²	89	57 Å²	57	58%	0.578	28%	0.277	S	S	*	.	H	α-helix	trans	-65.3	-30.7	-169.1	25.6	-33.3	0	0	0	113	N411 K417	N411-P413 WeakPolarHBondContact O-CD 3.2Å; P413-K417 WeakPolarHBondContact O-CB 3.42Å; P413-K417 PolarHBondContact O-N 3.08Å
414	E	92.1	Very high	91.5	Very high	112 Å²	112	52 Å²	52	52%	0.523	26%	0.258	S	S	.	.	H	α-helix	trans	-65.1	-41.8	175	-57.9	73.5	-162	0	0	111.3	T412 V418	T412-E414 VanDerWaalsContact C-N 3.29Å; T412-E414 VanDerWaalsContact CG2-OE2 3.27Å; T412-E414 WeakPolarHBondContact CG2-OE2 3.48Å; T412-E414 PolarHBondContact O-N 3.33Å; E414-V418 WeakPolarHBondContact O-CG2 3.42Å; E414-V418 PolarHBondContact O-N 3.32Å
415	S	91.7	Very high	91.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-69.2	-43.9	179.1	-57.4	0	0	0	0	111.4	S204 G207 L208 T412	S204-S415 WeakPolarHBondContact O-CB 3.36Å; S204-S415 PolarHBondContact O-OG 3.48Å; S204-S415 VanDerWaalsContact O-OG 3.05Å; S204-S415 PolarHBondContact OG-O 2.84Å; G207-S415 WeakPolarHBondContact CA-OG 3.46Å; L208-S415 PolarHBondContact N-OG 3Å; T412-S415 VanDerWaalsContact CG2-OG 3.3Å; T412-S415 WeakPolarHBondContact CG2-OG 3.19Å; T412-S415 WeakPolarHBondContact O-CB 3.37Å; T412-S415 PolarHBondContact O-N 3.49Å; T412-S415 VanDerWaalsContact O-N 3.09Å
416	V	92.5	Very high	91.7	Very high	33 Å²	33	54.8 Å²	54.8	20%	0.2	26%	0.261	C	S	.	.	H	α-helix	trans	-67.7	-42.1	177.3	173.5	0	0	0	0	111.5	Q410 T412 V418 L419 R420	Q410-V416 VanDerWaalsContact O-CG2 3.22Å; Q410-V416 WeakPolarHBondContact O-CG2 3.4Å; T412-V416 PolarHBondContact O-N 3.28Å; V416-V418 VanDerWaalsContact C-N 3.31Å; V416-V418 PolarHBondContact O-N 2.92Å; V416-L419 PolarHBondContact O-N 2.67Å; V416-L419 VanDerWaalsContact O-N 3.12Å; V416-R420 WeakPolarHBondContact O-CB 3.43Å; V416-R420 PolarHBondContact O-N 3.47Å
417	K	90.9	Very high	91.7	Very high	130 Å²	130	56.1 Å²	56.1	57%	0.565	27%	0.268	S	S	*	.	H	α-helix	trans	-54.3	-49.2	177.4	178	170.2	179.6	175.7	0	110.5	P413 L419 R420 D421	P413-K417 WeakPolarHBondContact O-CB 3.42Å; P413-K417 PolarHBondContact O-N 3.08Å; K417-L419 VanDerWaalsContact C-N 3.27Å; K417-L419 PolarHBondContact O-N 3.16Å; K417-R420 PolarHBondContact O-N 2.82Å; K417-D421 WeakPolarHBondContact CG-OD2 3.45Å; K417-D421 WeakPolarHBondContact O-CB 3.25Å; K417-D421 PolarHBondContact O-N 2.78Å
418	V	90.2	Very high	91.4	Very high	14 Å²	14	57.3 Å²	57.3	9%	0.085	27%	0.272	C	S	.	.	H	α-helix	trans	-60.2	-32.6	179.7	174	0	0	0	0	113.6	I200 R203 E414 V416	I200-V418 HydrophobicContact CG2-CG1 4.48Å; R203-V418 HydrophobicContact CB-CG1 3.89Å; R203-V418 HydrophobicContact CG-CG1 3.8Å; R203-V418 HydrophobicContact CG-CG2 3.94Å; E414-V418 WeakPolarHBondContact O-CG2 3.42Å; E414-V418 PolarHBondContact O-N 3.32Å; V416-V418 VanDerWaalsContact C-N 3.31Å; V416-V418 PolarHBondContact O-N 2.92Å
419	L	89.9	Confident	91.1	Very high	13 Å²	13	59.3 Å²	59.3	7%	0.068	29%	0.289	C	S	.	.	H	α-helix	trans	-76.5	-45.8	175.9	-63.7	176.4	0	0	0	111.4	I200 L409 V416 K417 D421 W422 N423 M424 L426	I200-L419 HydrophobicContact CG2-CD2 4.34Å; L409-L419 HydrophobicContact CD2-CD1 4.02Å; V416-L419 PolarHBondContact O-N 2.67Å; V416-L419 VanDerWaalsContact O-N 3.12Å; K417-L419 VanDerWaalsContact C-N 3.27Å; K417-L419 PolarHBondContact O-N 3.16Å; L419-D421 VanDerWaalsContact C-N 3.32Å; L419-D421 PolarHBondContact O-N 2.91Å; L419-W422 CarbonylContact O-C 3.38Å; L419-W422 PolarHBondContact O-N 2.71Å; L419-W422 VanDerWaalsContact O-N 3.09Å; L419-N423 PolarHBondContact O-N 2.98Å; L419-M424 CarbonylContact C-O 3.52Å; L419-M424 VanDerWaalsContact C-O 3.24Å; L419-M424 PolarHBondContact O-N 3.08Å; L419-L426 HydrophobicContact CD1-CB 4.2Å
420	R	90.7	Very high	91	Very high	180 Å²	180	60.2 Å²	60.2	68%	0.679	30%	0.295	S	S	*	.	H	α-helix	trans	-60.7	-40.6	176.7	-172.6	-175.7	-63	171.7	0.9	111.9	V416 K417 W422 N423	V416-R420 WeakPolarHBondContact O-CB 3.43Å; V416-R420 PolarHBondContact O-N 3.47Å; K417-R420 PolarHBondContact O-N 2.82Å; R420-W422 PolarHBondContact O-N 3.35Å; R420-N423 PolarHBondContact O-N 2.89Å
421	D	89.5	Confident	91	Very high	24 Å²	24	59.2 Å²	59.2	13%	0.128	29%	0.291	C	S	.	.	H	α-helix	trans	-54.5	-33.5	175.9	-76.4	-14.4	0	0	0	111.3	S144 G145 K417 L419	S144-D421 PolarHBondContact OG-O 3.43Å; G145-D421 VanDerWaalsContact CA-O 3.29Å; G145-D421 WeakPolarHBondContact CA-O 3.37Å; G145-D421 PolarHBondContact N-O 3.16Å; K417-D421 WeakPolarHBondContact CG-OD2 3.45Å; K417-D421 WeakPolarHBondContact O-CB 3.25Å; K417-D421 PolarHBondContact O-N 2.78Å; L419-D421 VanDerWaalsContact C-N 3.32Å; L419-D421 PolarHBondContact O-N 2.91Å
422	W	90.3	Very high	90.9	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.008	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	9.5	177.3	-82.1	81.2	0	0	0	114.4	W112 I114 L147 F154 T156 V196 I200 L419 R420 M424	W112-W422 HydrophobicContact CZ2-CE3 4.29Å; W112-W422 PolarHBondContact NE1-O 2.71Å; I114-W422 HydrophobicContact CG2-CZ3 4.32Å; L147-W422 HydrophobicContact CB-CZ2 4.32Å; L147-W422 HydrophobicContact CD1-CZ2 4.31Å; L147-W422 HydrophobicContact CG-CZ2 3.82Å; F154-W422 HydrophobicContact CB-CH2 4.2Å; F154-W422 WeakPolarHBondContact O-CH2 3.41Å; T156-W422 HydrophobicContact CG2-CE3 3.68Å; T156-W422 HydrophobicContact CG2-CZ3 4.06Å; V196-W422 HydrophobicContact CG1-CH2 4.12Å; V196-W422 HydrophobicContact CG1-CZ3 4.19Å; I200-W422 HydrophobicContact CD1-CD2 3.44Å; I200-W422 VanDerWaalsContact CD1-CD2 3.44Å; I200-W422 HydrophobicContact CD1-CE3 3.4Å; I200-W422 HydrophobicContact CD1-CG 3.98Å; I200-W422 HydrophobicContact CD1-CH2 4.2Å; I200-W422 HydrophobicContact CD1-CZ2 4.24Å; I200-W422 HydrophobicContact CD1-CZ3 3.8Å; I200-W422 HydrophobicContact CG1-CD2 3.81Å; I200-W422 HydrophobicContact CG1-CE3 4.23Å; I200-W422 HydrophobicContact CG1-CG 4.15Å; I200-W422 HydrophobicContact CG1-CZ2 4.17Å; I200-W422 HydrophobicContact CG2-CG 4.2Å; L419-W422 CarbonylContact O-C 3.38Å; L419-W422 PolarHBondContact O-N 2.71Å; L419-W422 VanDerWaalsContact O-N 3.09Å; R420-W422 PolarHBondContact O-N 3.35Å; W422-M424 VanDerWaalsContact C-N 3.27Å; W422-M424 HydrophobicContact CB-CG 3.95Å; W422-M424 HydrophobicContact CB-SD 4.32Å; W422-M424 WeakPolarHBondContact O-CG 3.27Å; W422-M424 PolarHBondContact O-N 2.99Å
423	N	89.5	Confident	90.9	Very high	51 Å²	51	58.1 Å²	58.1	27%	0.273	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	36.4	-174.1	-60.5	-98.6	0	0	0	113.3	K109 T156 L419 R420	K109-N423 HydrophobicContact CD-CB 4.18Å; K109-N423 VanDerWaalsContact CE-OD1 3.26Å; K109-N423 WeakPolarHBondContact CE-OD1 3.48Å; K109-N423 HydrophobicContact CG-CB 4.5Å; K109-N423 PolarHBondContact NZ-OD1 2.9Å; T156-N423 PolarHBondContact OG1-ND2 2.86Å; L419-N423 PolarHBondContact O-N 2.98Å; R420-N423 PolarHBondContact O-N 2.89Å
424	M	90.3	Very high	90.9	Very high	7 Å²	7	59.7 Å²	59.7	3%	0.034	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	138.8	177.3	-44.5	-170.8	87.2	0	0	110.9	L106 K107 T108 W112 L197 I200 I248 L419 W422	L106-M424 HydrophobicContact CB-CE 4.29Å; L106-M424 HydrophobicContact CD2-CB 4.3Å; L106-M424 HydrophobicContact CD2-CE 3.66Å; L106-M424 HydrophobicContact CD2-SD 3.96Å; K107-M424 CarbonylContact O-C 3.57Å; K107-M424 WeakPolarHBondContact O-CA 3.45Å; T108-M424 HydrophobicContact CG2-CE 3.56Å; T108-M424 HydrophobicContact CG2-CG 4.25Å; W112-M424 HydrophobicContact CH2-CE 3.75Å; W112-M424 HydrophobicContact CH2-SD 4.22Å; W112-M424 HydrophobicContact CZ2-CE 3.74Å; W112-M424 HydrophobicContact CZ2-CG 4.09Å; W112-M424 HydrophobicContact CZ2-SD 3.77Å; W112-M424 HydrophobicContact CZ3-CE 4.33Å; L197-M424 HydrophobicContact CD2-CE 3.72Å; L197-M424 HydrophobicContact CD2-SD 4.25Å; I200-M424 HydrophobicContact CG2-SD 4.49Å; I248-M424 HydrophobicContact CD1-CE 3.88Å; L419-M424 CarbonylContact C-O 3.52Å; L419-M424 VanDerWaalsContact C-O 3.24Å; L419-M424 PolarHBondContact O-N 3.08Å; W422-M424 VanDerWaalsContact C-N 3.27Å; W422-M424 HydrophobicContact CB-CG 3.95Å; W422-M424 HydrophobicContact CB-SD 4.32Å; W422-M424 WeakPolarHBondContact O-CG 3.27Å; W422-M424 PolarHBondContact O-N 2.99Å
425	E	91.9	Very high	91.1	Very high	111 Å²	111	54.3 Å²	54.3	52%	0.519	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	137.2	172.5	-173.2	-179.7	-175.8	0	0	110.2	L106 K107	L106-E425 CarbonylContact C-O 3.4Å; L106-E425 WeakPolarHBondContact CA-O 3.34Å; K107-E425 HydrophobicContact CB-CB 4.36Å; K107-E425 PolarHBondContact N-O 2.8Å; K107-E425 PolarHBondContact O-N 2.84Å
426	L	92.4	Very high	91.4	Very high	8 Å²	8	55.3 Å²	55.3	4%	0.042	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	122.8	178.5	-178.3	62.7	0	0	0	110.1	F104 L106 L250 N406 L409 Q410 L419 K428	F104-L426 HydrophobicContact CB-CD1 3.6Å; F104-L426 HydrophobicContact CB-CG 4.44Å; L106-L426 HydrophobicContact CD1-CD1 3.67Å; L106-L426 HydrophobicContact CG-CD1 4.37Å; L250-L426 HydrophobicContact CB-CD1 4.39Å; L250-L426 HydrophobicContact CD2-CD1 4Å; L250-L426 HydrophobicContact CD2-CD2 4.34Å; N406-L426 WeakPolarHBondContact OD1-CD2 3.29Å; L409-L426 HydrophobicContact CD1-CD2 4.32Å; L409-L426 HydrophobicContact CD2-CD2 3.92Å; Q410-L426 PolarHBondContact NE2-O 2.82Å; L419-L426 HydrophobicContact CD1-CB 4.2Å; L426-K428 PolarHBondContact O-N 2.85Å
427	D	92.3	Very high	91.6	Very high	32 Å²	32	55.4 Å²	55.4	17%	0.171	26%	0.259	C	S	.	.			trans	-63.8	133.3	179.3	-98.4	-35.9	0	0	0	112	R105 K107 N406 N429	R105-D427 HydrophobicContact CB-CB 4.2Å; R105-D427 PolarHBondContact O-N 2.77Å; K107-D427 WeakPolarHBondContact CE-OD1 3.31Å; K107-D427 VanDerWaalsContact CE-OD2 3.23Å; K107-D427 WeakPolarHBondContact CE-OD2 3Å; K107-D427 IonicContact NZ-OD1 3.9Å; K107-D427 PolarHBondContact NZ-OD1 3.13Å; K107-D427 IonicContact NZ-OD2 2.67Å; N406-D427 PolarHBondContact ND2-O 2.85Å; D427-N429 VanDerWaalsContact C-N 3.29Å
428	K	88.2	Confident	91.8	Very high	142 Å²	142	49.6 Å²	49.6	62%	0.617	23%	0.234	S	C	*	.	S	Bend	trans	-65.2	-36.5	176.8	-72.2	168.3	-176.7	171.8	0	111.6	N406 L426	N406-K428 WeakPolarHBondContact ND2-CA 3.39Å; N406-K428 PolarHBondContact ND2-O 2.83Å; L426-K428 PolarHBondContact O-N 2.85Å
429	N	86.3	Confident	92	Very high	130 Å²	130	51 Å²	51	70%	0.695	25%	0.252	S	S	*	.	S	Bend	trans	-84.8	147.2	-180	-64.2	-13.3	0	0	0	110.7	D427	D427-N429 VanDerWaalsContact C-N 3.29Å
430	V	88.5	Confident	92.2	Very high	20 Å²	20	55 Å²	55	12%	0.121	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-67	139.3	170.1	171	0	0	0	0	108.8	Q100 T101 F104 E432	Q100-V430 HydrophobicContact CB-CG1 4.46Å; T101-V430 WeakPolarHBondContact O-CG1 3.38Å; F104-V430 HydrophobicContact CD1-CG2 4.43Å; F104-V430 HydrophobicContact CE1-CG2 3.67Å; F104-V430 HydrophobicContact CZ-CG2 4.12Å; V430-E432 PolarHBondContact O-N 3.18Å
431	T	91.6	Very high	92.5	Very high	21 Å²	21	47.2 Å²	47.2	13%	0.129	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-62.4	122.6	174.1	-53	0	0	0	0	109.7	T101 F103 R105 L249 V433 V750	T101-T431 WeakPolarHBondContact CB-O 3.12Å; T101-T431 WeakPolarHBondContact CG2-O 3.5Å; T101-T431 PolarHBondContact N-O 3.4Å; T101-T431 VanDerWaalsContact N-O 3.13Å; T101-T431 PolarHBondContact OG1-O 2.94Å; F103-T431 PolarHBondContact O-N 2.92Å; F103-T431 PolarHBondContact O-OG1 2.67Å; R105-T431 PolarHBondContact N-OG1 3.44Å; L249-T431 HydrophobicContact CD1-CG2 4.47Å; L249-T431 HydrophobicContact CD2-CG2 4.33Å; T431-V433 HydrophobicContact CG2-CG2 4.41Å; T431-V750 HydrophobicContact CG2-CG1 4.03Å
432	E	92	Very high	92.8	Very high	99 Å²	99	48.3 Å²	48.3	46%	0.463	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	145	173.3	-59.6	-164.7	157.1	0	0	110.6	M98 L99 Q100 V430	M98-E432 HydrophobicContact CE-CB 3.64Å; L99-E432 CarbonylContact O-C 3.57Å; L99-E432 WeakPolarHBondContact O-CA 3.44Å; Q100-E432 HydrophobicContact CG-CG 3.84Å; Q100-E432 WeakPolarHBondContact CG-OE1 3.44Å; Q100-E432 PolarHBondContact NE2-OE1 2.98Å; V430-E432 PolarHBondContact O-N 3.18Å
433	V	93.8	Very high	93.1	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	136.7	-173.3	-178.2	0	0	0	0	110.1	L99 T101 T431 G435 V747 V750 I751	L99-V433 PolarHBondContact N-O 2.87Å; L99-V433 PolarHBondContact O-N 3.32Å; T101-V433 HydrophobicContact CG2-CB 4.15Å; T101-V433 HydrophobicContact CG2-CG2 3.49Å; T101-V433 VanDerWaalsContact CG2-CG2 3.49Å; T431-V433 HydrophobicContact CG2-CG2 4.41Å; V433-G435 PolarHBondContact O-N 3.17Å; V433-V747 HydrophobicContact CG1-CG1 3.61Å; V433-V750 HydrophobicContact CB-CB 4.42Å; V433-V750 HydrophobicContact CG1-CB 3.9Å; V433-V750 HydrophobicContact CG1-CG2 4.03Å; V433-V750 HydrophobicContact CG2-CB 3.71Å; V433-V750 HydrophobicContact CG2-CG1 3.76Å; V433-V750 HydrophobicContact CG2-CG2 4.36Å; V433-I751 HydrophobicContact CG2-CG2 4.16Å
434	Q	94.8	Very high	93.4	Very high	122 Å²	122	47.5 Å²	47.5	57%	0.57	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	111.2	170.8	-169.4	179.7	28.7	0	0	109.2	M98	M98-Q434 HydrophobicContact SD-CB 3.94Å; M98-Q434 HydrophobicContact SD-CG 4.42Å
435	G	96	Very high	93.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-177	168.5	0	0	0	0	0	111.7	P96 V97 V433 I746	P96-G435 WeakPolarHBondContact CA-O 3.48Å; V97-G435 PolarHBondContact N-O 3.44Å; V97-G435 PolarHBondContact O-N 2.83Å; V433-G435 PolarHBondContact O-N 3.17Å; G435-I746 CarbonylContact C-O 3.54Å; G435-I746 WeakPolarHBondContact CA-O 3.48Å
436	R	96.9	Very high	93.7	Very high	20 Å²	20	47.3 Å²	47.3	8%	0.075	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	147.2	175.2	-67	170.1	-65.3	105.7	2.3	110.6	G91 D93 V95 T745 I746 D748	G91-R436 PolarHBondContact O-NE 2.75Å; D93-R436 WeakPolarHBondContact O-CD 3.25Å; D93-R436 PolarHBondContact O-NH1 2.88Å; V95-R436 CarbonylContact O-C 3.56Å; V95-R436 VanDerWaalsContact O-CA 3.29Å; V95-R436 WeakPolarHBondContact O-CA 3.41Å; R436-T745 CarbonylContact O-C 3.57Å; R436-T745 WeakPolarHBondContact O-CA 3.2Å; R436-I746 PolarHBondContact N-O 3.4Å; R436-I746 PolarHBondContact O-N 2.84Å; R436-D748 IonicContact CZ-OD2 3.46Å; R436-D748 VanDerWaalsContact NH2-CG 3.35Å; R436-D748 IonicContact NH2-OD1 3.13Å; R436-D748 PolarHBondContact NH2-OD1 2.76Å; R436-D748 IonicContact NH2-OD2 3.54Å; R436-D748 PolarHBondContact NH2-OD2 2.68Å
437	I	97.3	Very high	93.5	Very high	36 Å²	36	52 Å²	52	19%	0.185	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	115.4	170.5	-58.2	169.1	0	0	0	108.1	G94 V95 V97 L736 P742	G94-I437 CarbonylContact C-O 3.48Å; G94-I437 VanDerWaalsContact CA-O 3.3Å; G94-I437 WeakPolarHBondContact CA-O 3.4Å; V95-I437 PolarHBondContact N-O 2.94Å; V95-I437 PolarHBondContact O-N 2.87Å; V97-I437 HydrophobicContact CG1-CD1 3.65Å; V97-I437 HydrophobicContact CG1-CG1 4.13Å; V97-I437 HydrophobicContact CG2-CD1 4.27Å; V97-I437 HydrophobicContact CG2-CG1 3.99Å; I437-L736 HydrophobicContact CD1-CD2 4.41Å; I437-P742 HydrophobicContact CD1-CG 3.58Å; I437-P742 HydrophobicContact CG1-CG 4.17Å
438	I	95.5	Very high	93.4	Very high	7 Å²	7	52.5 Å²	52.5	4%	0.036	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-68.3	133.3	170.8	-64.4	-170.8	0	0	0	109	G744 I746 Q791 K792 Y795	I438-G744 PolarHBondContact N-O 2.93Å; I438-I746 HydrophobicContact CD1-CD1 3.5Å; I438-I746 VanDerWaalsContact CD1-CD1 3.5Å; I438-I746 HydrophobicContact CG1-CD1 4.03Å; I438-Q791 HydrophobicContact CD1-CB 4.46Å; I438-K792 HydrophobicContact CD1-CB 4.1Å; I438-K792 HydrophobicContact CG2-CG 4.43Å; I438-Y795 HydrophobicContact CB-CD1 4.12Å; I438-Y795 HydrophobicContact CB-CE1 4.43Å; I438-Y795 HydrophobicContact CG2-CD1 3.88Å; I438-Y795 HydrophobicContact CG2-CE1 4.32Å
439	G	93.6	Very high	93.7	Very high	45 Å²	45	51.5 Å²	51.5	46%	0.464	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-56.6	159.7	179.2	0	0	0	0	0	114.1	Q441	G439-Q441 PolarHBondContact O-NE2 2.74Å
440	Q	95.3	Very high	94.1	Very high	95 Å²	95	46.3 Å²	46.3	44%	0.444	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-56.6	149.3	-179.4	-60.1	-178.6	24.3	0	0	111.7	G453	Q440-G453 VanDerWaalsContact CD-C 3.45Å
441	Q	95.8	Very high	94.4	Very high	17 Å²	17	48.5 Å²	48.5	8%	0.079	26%	0.264	C	S	.	.			trans	-108.9	143	-177.5	-57.1	-62.3	-61.6	0	0	110.4	G439 A452 I601 Y795 K796	G439-Q441 PolarHBondContact O-NE2 2.74Å; Q441-A452 WeakPolarHBondContact O-CB 3.46Å; Q441-A452 PolarHBondContact O-N 2.8Å; Q441-I601 HydrophobicContact CB-CD1 3.65Å; Q441-I601 HydrophobicContact CB-CG1 4.47Å; Q441-Y795 HydrophobicContact CG-CD1 4.1Å; Q441-Y795 HydrophobicContact CG-CE1 4Å; Q441-K796 VanDerWaalsContact OE1-CG 3.26Å
442	N	96	Very high	94.5	Very high	47 Å²	47	47.6 Å²	47.6	25%	0.251	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	120.5	-180	-61.5	-48.8	0	0	0	111.4	K449 V450 I601 E602	N442-K449 HydrophobicContact CB-CB 4.39Å; N442-K449 HydrophobicContact CB-CD 4.15Å; N442-K449 HydrophobicContact CB-CG 4.4Å; N442-V450 CarbonylContact C-O 3.52Å; N442-V450 WeakPolarHBondContact CA-O 3.4Å; N442-I601 WeakPolarHBondContact O-CD1 3.27Å; N442-E602 HydrophobicContact CB-CG 4.33Å; N442-E602 WeakPolarHBondContact CB-OE2 3.44Å; N442-E602 PolarHBondContact ND2-OE2 2.75Å
443	I	96.8	Very high	94.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	120.5	172.4	-50.4	-57.7	0	0	0	108.5	F445 K449 V450 A452 W458 W599 I601 H799	I443-F445 HydrophobicContact CB-CE2 4.15Å; I443-F445 HydrophobicContact CG2-CD2 4.16Å; I443-F445 HydrophobicContact CG2-CE2 3.52Å; I443-F445 HydrophobicContact CG2-CZ 4.01Å; I443-K449 CarbonylContact O-C 3.39Å; I443-K449 WeakPolarHBondContact O-CA 3.43Å; I443-K449 WeakPolarHBondContact O-CB 3.45Å; I443-V450 HydrophobicContact CB-CG2 4.13Å; I443-V450 PolarHBondContact N-O 2.78Å; I443-V450 PolarHBondContact O-N 3.44Å; I443-A452 HydrophobicContact CD1-CB 4.34Å; I443-A452 HydrophobicContact CG1-CB 4.27Å; I443-W458 HydrophobicContact CD1-CD2 3.86Å; I443-W458 HydrophobicContact CD1-CE3 3.87Å; I443-W458 HydrophobicContact CD1-CH2 3.75Å; I443-W458 HydrophobicContact CD1-CZ2 3.74Å; I443-W458 HydrophobicContact CD1-CZ3 3.81Å; I443-W458 HydrophobicContact CG1-CB 4.49Å; I443-W458 HydrophobicContact CG1-CD2 3.68Å; I443-W458 HydrophobicContact CG1-CE3 3.92Å; I443-W458 HydrophobicContact CG1-CG 3.93Å; I443-W458 HydrophobicContact CG1-CZ2 4.42Å; I443-W458 HydrophobicContact CG1-CZ3 4.37Å; I443-W458 HydrophobicContact CG2-CG 4.47Å; I443-W599 HydrophobicContact CG2-CB 3.69Å; I443-W599 HydrophobicContact CG2-CG 3.77Å; I443-I601 HydrophobicContact CD1-CD1 3.99Å; I443-H799 HydrophobicContact CD1-CB 4.33Å
444	V	96.1	Very high	94.2	Very high	37 Å²	37	51.6 Å²	51.6	22%	0.224	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	129.1	-177.2	-172.6	0	0	0	0	110	K449 L468 W599 M600 E602	V444-K449 HydrophobicContact CG2-CB 4.33Å; V444-L468 HydrophobicContact CG1-CD1 4.3Å; V444-W599 CarbonylContact O-C 3.59Å; V444-W599 WeakPolarHBondContact O-CA 3.4Å; V444-M600 HydrophobicContact CB-CB 4.39Å; V444-M600 PolarHBondContact N-O 3.01Å; V444-M600 PolarHBondContact O-N 3.42Å; V444-E602 HydrophobicContact CG2-CG 4.01Å
445	F	95.8	Very high	94	Very high	3 Å²	3	50.4 Å²	50.4	1%	0.013	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	-178.8	176.9	-75.9	-83.1	0	0	0	109.8	I443 N447 G448 V450 F462 Q465 R466 L468 W599	I443-F445 HydrophobicContact CB-CE2 4.15Å; I443-F445 HydrophobicContact CG2-CD2 4.16Å; I443-F445 HydrophobicContact CG2-CE2 3.52Å; I443-F445 HydrophobicContact CG2-CZ 4.01Å; F445-N447 PolarHBondContact O-N 3.11Å; F445-G448 PolarHBondContact N-O 3.17Å; F445-V450 HydrophobicContact CD2-CG2 4.12Å; F445-V450 HydrophobicContact CE2-CG2 3.73Å; F445-F462 AromaticContact CE1-CD1 3.82Å; F445-F462 HydrophobicContact CE1-CD1 3.82Å; F445-F462 AromaticContact CE1-CE1 3.51Å; F445-F462 HydrophobicContact CE1-CE1 3.51Å; F445-F462 AromaticContact CE1-CZ 3.99Å; F445-F462 HydrophobicContact CE1-CZ 3.99Å; F445-F462 HydrophobicContact CZ-CD1 4.2Å; F445-F462 AromaticContact CZ-CE1 3.79Å; F445-F462 HydrophobicContact CZ-CE1 3.79Å; F445-F462 HydrophobicContact CZ-CE2 4.21Å; F445-F462 AromaticContact CZ-CZ 3.77Å; F445-F462 HydrophobicContact CZ-CZ 3.77Å; F445-Q465 HydrophobicContact CB-CB 4.44Å; F445-Q465 HydrophobicContact CD1-CB 3.98Å; F445-Q465 HydrophobicContact CD2-CB 4.45Å; F445-Q465 HydrophobicContact CD2-CG 4.46Å; F445-Q465 HydrophobicContact CE1-CB 4.31Å; F445-Q465 HydrophobicContact CG-CB 4.04Å; F445-Q465 HydrophobicContact CG-CG 4.43Å; F445-R466 WeakPolarHBondContact CD1-O 3.49Å; F445-L468 WeakPolarHBondContact O-CD1 3.31Å; F445-W599 HydrophobicContact CD1-CB 4.5Å; F445-W599 HydrophobicContact CE1-CB 4.16Å; F445-W599 HydrophobicContact CZ-CB 4.28Å
446	H	93.1	Very high	93.9	Very high	110 Å²	110	50.5 Å²	50.5	51%	0.509	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-44.7	-178.2	-167.5	75.4	0	0	0	112	R466 L468	H446-R466 HydrophobicContact CB-CB 4.11Å; H446-R466 PolarHBondContact N-O 3.44Å; H446-L468 PolarHBondContact ND1-O 3.24Å
447	N	87.3	Confident	93.7	Very high	108 Å²	108	51.7 Å²	51.7	58%	0.578	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	61.9	-178	-70.3	-0.6	0	0	0	111	F445	F445-N447 PolarHBondContact O-N 3.11Å
448	G	90.6	Very high	93.6	Very high	42 Å²	42	50 Å²	50	43%	0.433	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	107.7	-154.2	173.3	0	0	0	0	0	114.5	F445	F445-G448 PolarHBondContact N-O 3.17Å
449	K	94.1	Very high	93.3	Very high	121 Å²	121	52.7 Å²	52.7	53%	0.526	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	150.6	-172.2	66.8	-168.5	-177.2	-174.5	0	112.2	N442 I443 V444 E602	N442-K449 HydrophobicContact CB-CB 4.39Å; N442-K449 HydrophobicContact CB-CD 4.15Å; N442-K449 HydrophobicContact CB-CG 4.4Å; I443-K449 CarbonylContact O-C 3.39Å; I443-K449 WeakPolarHBondContact O-CA 3.43Å; I443-K449 WeakPolarHBondContact O-CB 3.45Å; V444-K449 HydrophobicContact CG2-CB 4.33Å; K449-E602 WeakPolarHBondContact CD-OE1 3.17Å; K449-E602 WeakPolarHBondContact CE-OE1 3.49Å; K449-E602 IonicContact NZ-OE1 3.07Å; K449-E602 PolarHBondContact NZ-OE1 2.77Å
450	V	95.1	Very high	93.1	Very high	20 Å²	20	60.4 Å²	60.4	12%	0.121	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	146.1	178.4	-59.6	0	0	0	0	110.7	N442 I443 F445 H461	N442-V450 CarbonylContact C-O 3.52Å; N442-V450 WeakPolarHBondContact CA-O 3.4Å; I443-V450 HydrophobicContact CB-CG2 4.13Å; I443-V450 PolarHBondContact N-O 2.78Å; I443-V450 PolarHBondContact O-N 3.44Å; F445-V450 HydrophobicContact CD2-CG2 4.12Å; F445-V450 HydrophobicContact CE2-CG2 3.73Å; V450-H461 HydrophobicContact CG2-CB 4.13Å
451	P	95	Very high	92.7	Very high	66 Å²	66	59.2 Å²	59.2	43%	0.429	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	146.6	172.8	29.6	-34.9	0	0	0	110.8	G453	P451-G453 PolarHBondContact O-N 2.95Å
452	A	93.4	Very high	92.2	Very high	3 Å²	3	58.7 Å²	58.7	3%	0.025	30%	0.302	C	S	.	.			trans	-67.6	-12.9	176.8	0	0	0	0	0	114.4	Q441 I443 A456 D457 W458	Q441-A452 WeakPolarHBondContact O-CB 3.46Å; Q441-A452 PolarHBondContact O-N 2.8Å; I443-A452 HydrophobicContact CD1-CB 4.34Å; I443-A452 HydrophobicContact CG1-CB 4.27Å; A452-A456 VanDerWaalsContact O-CA 3.28Å; A452-A456 WeakPolarHBondContact O-CA 3.5Å; A452-A456 PolarHBondContact O-N 2.88Å; A452-D457 PolarHBondContact O-N 2.82Å; A452-W458 HydrophobicContact CB-CE3 3.8Å; A452-W458 HydrophobicContact CB-CZ3 3.96Å
453	G	92.1	Very high	91.4	Very high	29 Å²	29	66 Å²	66	30%	0.299	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	165.1	-174.6	0	0	0	0	0	113.3	Q440 P451 N455 A456	Q440-G453 VanDerWaalsContact CD-C 3.45Å; P451-G453 PolarHBondContact O-N 2.95Å; G453-N455 PolarHBondContact O-N 2.93Å; G453-A456 PolarHBondContact O-N 3.45Å
454	E	88.3	Confident	90.6	Very high	156 Å²	156	72.1 Å²	72.1	73%	0.729	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-34.4	178.5	-57.5	176.3	156.2	0	0	112.5	A456	E454-A456 VanDerWaalsContact C-N 3.33Å
455	N	89.4	Confident	90.3	Very high	96 Å²	96	72.4 Å²	72.4	51%	0.513	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-5.4	179.3	-82.4	-70.3	0	0	0	113.6	G453 D457 Q765	G453-N455 PolarHBondContact O-N 2.93Å; N455-D457 VanDerWaalsContact C-N 3.27Å; N455-D457 PolarHBondContact O-N 3.01Å; N455-Q765 WeakPolarHBondContact O-CG 3.47Å; N455-Q765 PolarHBondContact O-NE2 3.31Å
456	A	94.4	Very high	90.3	Very high	3 Å²	3	79.1 Å²	79.1	3%	0.025	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.6	45.7	-177	0	0	0	0	0	113.8	A452 G453 E454 P743 G806 T807	A452-A456 VanDerWaalsContact O-CA 3.28Å; A452-A456 WeakPolarHBondContact O-CA 3.5Å; A452-A456 PolarHBondContact O-N 2.88Å; G453-A456 PolarHBondContact O-N 3.45Å; E454-A456 VanDerWaalsContact C-N 3.33Å; A456-P743 HydrophobicContact CB-CB 3.66Å; A456-P743 HydrophobicContact CB-CG 3.8Å; A456-G806 CarbonylContact O-C 3.59Å; A456-G806 WeakPolarHBondContact O-CA 3.25Å; A456-T807 HydrophobicContact CB-CG2 3.71Å; A456-T807 WeakPolarHBondContact CB-OG1 3.34Å; A456-T807 PolarHBondContact O-N 3.32Å
457	D	93.6	Very high	90.4	Very high	45 Å²	45	73.9 Å²	73.9	24%	0.241	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-135.8	107.5	178.6	-178.8	-26.8	0	0	0	107.9	A452 N455 Q459 R767	A452-D457 PolarHBondContact O-N 2.82Å; N455-D457 VanDerWaalsContact C-N 3.27Å; N455-D457 PolarHBondContact O-N 3.01Å; D457-Q459 VanDerWaalsContact OD1-CB 3.29Å; D457-Q459 WeakPolarHBondContact OD1-CB 3.19Å; D457-Q459 PolarHBondContact OD1-N 3.05Å; D457-Q459 VanDerWaalsContact OD1-N 3.08Å; D457-R767 IonicContact OD2-NH2 2.91Å; D457-R767 PolarHBondContact OD2-NH2 2.88Å
458	W	94.3	Very high	90.8	Very high	1 Å²	1	70.3 Å²	70.3	0%	0.004	34%	0.339	C	S	.	.			trans	-105	18.5	-177.1	53.2	98.4	0	0	0	112.5	I443 A452 R460 H461 F462 W599 H799 S805 G806	I443-W458 HydrophobicContact CD1-CD2 3.86Å; I443-W458 HydrophobicContact CD1-CE3 3.87Å; I443-W458 HydrophobicContact CD1-CH2 3.75Å; I443-W458 HydrophobicContact CD1-CZ2 3.74Å; I443-W458 HydrophobicContact CD1-CZ3 3.81Å; I443-W458 HydrophobicContact CG1-CB 4.49Å; I443-W458 HydrophobicContact CG1-CD2 3.68Å; I443-W458 HydrophobicContact CG1-CE3 3.92Å; I443-W458 HydrophobicContact CG1-CG 3.93Å; I443-W458 HydrophobicContact CG1-CZ2 4.42Å; I443-W458 HydrophobicContact CG1-CZ3 4.37Å; I443-W458 HydrophobicContact CG2-CG 4.47Å; A452-W458 HydrophobicContact CB-CE3 3.8Å; A452-W458 HydrophobicContact CB-CZ3 3.96Å; W458-R460 PolarHBondContact O-N 3.3Å; W458-H461 PolarHBondContact O-N 3.07Å; W458-F462 AromaticContact CD1-CE2 3.4Å; W458-F462 VanDerWaalsContact CD1-CE2 3.4Å; W458-F462 AromaticContact CD1-CZ 3.68Å; W458-F462 HydrophobicContact CG-CE2 4.41Å; W458-F462 AromaticContact NE1-CE2 3.96Å; W458-F462 AromaticContact NE1-CZ 3.87Å; W458-F462 WeakPolarHBondContact O-CD2 3.46Å; W458-F462 WeakPolarHBondContact O-CE2 3.44Å; W458-W599 AromaticContact CE2-CE2 3.95Å; W458-W599 AromaticContact CE2-NE1 3.97Å; W458-W599 AromaticContact CZ2-CE2 3.74Å; W458-W599 AromaticContact CZ2-CZ2 3.77Å; W458-W599 HydrophobicContact CZ2-CZ2 3.77Å; W458-W599 AromaticContact CZ2-NE1 3.53Å; W458-W599 AromaticContact NE1-CD2 3.77Å; W458-W599 AromaticContact NE1-CE2 3.53Å; W458-W599 AromaticContact NE1-CZ2 3.77Å; W458-W599 AromaticContact NE1-NE1 3.83Å; W458-H799 HydrophobicContact CH2-CB 3.86Å; W458-H799 AromaticContact CH2-CD2 3.7Å; W458-H799 HydrophobicContact CZ2-CB 4.48Å; W458-H799 WeakPolarHBondContact CZ2-O 3.47Å; W458-H799 AromaticContact CZ3-CD2 3.66Å; W458-S805 PolarHBondContact N-O 2.87Å; W458-G806 WeakPolarHBondContact CH2-O 3.28Å; W458-G806 VanDerWaalsContact CZ3-C 3.48Å
459	Q	90.1	Very high	91.1	Very high	62 Å²	62	70.6 Å²	70.6	29%	0.29	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-28	-178.3	-163.1	-164.5	-57.3	0	0	113	D457 S805	D457-Q459 VanDerWaalsContact OD1-CB 3.29Å; D457-Q459 WeakPolarHBondContact OD1-CB 3.19Å; D457-Q459 PolarHBondContact OD1-N 3.05Å; D457-Q459 VanDerWaalsContact OD1-N 3.08Å; Q459-S805 VanDerWaalsContact CB-OG 3.28Å; Q459-S805 WeakPolarHBondContact CB-OG 3.31Å; Q459-S805 WeakPolarHBondContact CG-OG 3.47Å; Q459-S805 PolarHBondContact N-O 3.45Å
460	R	87.6	Confident	91.1	Very high	207 Å²	207	67 Å²	67	78%	0.781	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-35.2	-179.9	-64.2	-176.5	-179.4	-171.6	0.2	113	W458 F462 R463	W458-R460 PolarHBondContact O-N 3.3Å; R460-F462 VanDerWaalsContact C-N 3.31Å; R460-F462 PolarHBondContact O-N 3.33Å; R460-R463 WeakPolarHBondContact O-CG 3.45Å; R460-R463 PolarHBondContact O-N 2.88Å
461	H	88.6	Confident	91	Very high	71 Å²	71	66.6 Å²	66.6	33%	0.329	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-70.9	-21.3	-172.2	-63.9	-72.7	0	0	0	114.1	V450 W458 R463 D464 Q465	V450-H461 HydrophobicContact CG2-CB 4.13Å; W458-H461 PolarHBondContact O-N 3.07Å; H461-R463 PolarHBondContact O-N 3.39Å; H461-R463 VanDerWaalsContact O-N 3.08Å; H461-D464 PolarHBondContact O-N 3.36Å; H461-Q465 WeakPolarHBondContact O-CB 3.15Å; H461-Q465 WeakPolarHBondContact O-CG 3.4Å; H461-Q465 PolarHBondContact O-N 2.91Å
462	F	84.2	Confident	90.8	Very high	5 Å²	5	68.2 Å²	68.2	2%	0.022	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-64.9	-7.3	175	-65.3	-90.3	0	0	0	114.8	F445 W458 R460 D464 M504 T584 I588 W599	F445-F462 AromaticContact CE1-CD1 3.82Å; F445-F462 HydrophobicContact CE1-CD1 3.82Å; F445-F462 AromaticContact CE1-CE1 3.51Å; F445-F462 HydrophobicContact CE1-CE1 3.51Å; F445-F462 AromaticContact CE1-CZ 3.99Å; F445-F462 HydrophobicContact CE1-CZ 3.99Å; F445-F462 HydrophobicContact CZ-CD1 4.2Å; F445-F462 AromaticContact CZ-CE1 3.79Å; F445-F462 HydrophobicContact CZ-CE1 3.79Å; F445-F462 HydrophobicContact CZ-CE2 4.21Å; F445-F462 AromaticContact CZ-CZ 3.77Å; F445-F462 HydrophobicContact CZ-CZ 3.77Å; W458-F462 AromaticContact CD1-CE2 3.4Å; W458-F462 VanDerWaalsContact CD1-CE2 3.4Å; W458-F462 AromaticContact CD1-CZ 3.68Å; W458-F462 HydrophobicContact CG-CE2 4.41Å; W458-F462 AromaticContact NE1-CE2 3.96Å; W458-F462 AromaticContact NE1-CZ 3.87Å; W458-F462 WeakPolarHBondContact O-CD2 3.46Å; W458-F462 WeakPolarHBondContact O-CE2 3.44Å; R460-F462 VanDerWaalsContact C-N 3.31Å; R460-F462 PolarHBondContact O-N 3.33Å; F462-D464 VanDerWaalsContact C-N 3.35Å; F462-M504 HydrophobicContact CB-SD 4.17Å; F462-M504 HydrophobicContact CD1-SD 4.09Å; F462-M504 WeakPolarHBondContact O-CG 3.42Å; F462-T584 HydrophobicContact CB-CG2 4.26Å; F462-I588 HydrophobicContact CD1-CD1 3.7Å; F462-I588 HydrophobicContact CD1-CG1 4.41Å; F462-I588 HydrophobicContact CE1-CD1 3.79Å; F462-I588 HydrophobicContact CE1-CG1 4.48Å; F462-I588 HydrophobicContact CG-CD1 4.15Å; F462-I588 HydrophobicContact CZ-CD1 4.32Å; F462-W599 AromaticContact CE1-CE3 3.59Å; F462-W599 HydrophobicContact CE1-CE3 3.59Å; F462-W599 AromaticContact CE1-CZ3 3.88Å; F462-W599 HydrophobicContact CE1-CZ3 3.88Å; F462-W599 HydrophobicContact CE2-CZ3 4.47Å; F462-W599 HydrophobicContact CZ-CD2 4.11Å; F462-W599 AromaticContact CZ-CE3 3.31Å; F462-W599 HydrophobicContact CZ-CE3 3.31Å; F462-W599 HydrophobicContact CZ-CH2 4.31Å; F462-W599 AromaticContact CZ-CZ3 3.44Å; F462-W599 HydrophobicContact CZ-CZ3 3.44Å; F462-W599 VanDerWaalsContact CZ-CZ3 3.44Å
463	R	80.1	Confident	90.4	Very high	200 Å²	200	71.7 Å²	71.7	76%	0.755	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-70.5	-36.5	173.8	-69.2	176.7	173	-163.4	-4.4	111.7	R460 H461	R460-R463 WeakPolarHBondContact O-CG 3.45Å; R460-R463 PolarHBondContact O-N 2.88Å; H461-R463 PolarHBondContact O-N 3.39Å; H461-R463 VanDerWaalsContact O-N 3.08Å
464	D	80.3	Confident	90.5	Very high	129 Å²	129	70.3 Å²	70.3	69%	0.69	34%	0.336	S	S	*	.	S	Bend	trans	-121.6	11.1	-164.5	-36.2	-62.3	0	0	0	111.2	H461 F462	H461-D464 PolarHBondContact O-N 3.36Å; F462-D464 VanDerWaalsContact C-N 3.35Å
465	Q	89.4	Confident	90.7	Very high	44 Å²	44	62.9 Å²	62.9	21%	0.206	30%	0.301	C	S	.	.			trans	-134.7	136.6	-174.1	-71.4	-63.9	-37.2	0	0	112.4	F445 H461	F445-Q465 HydrophobicContact CB-CB 4.44Å; F445-Q465 HydrophobicContact CD1-CB 3.98Å; F445-Q465 HydrophobicContact CD2-CB 4.45Å; F445-Q465 HydrophobicContact CD2-CG 4.46Å; F445-Q465 HydrophobicContact CE1-CB 4.31Å; F445-Q465 HydrophobicContact CG-CB 4.04Å; F445-Q465 HydrophobicContact CG-CG 4.43Å; H461-Q465 WeakPolarHBondContact O-CB 3.15Å; H461-Q465 WeakPolarHBondContact O-CG 3.4Å; H461-Q465 PolarHBondContact O-N 2.91Å
466	R	94.9	Very high	90.8	Very high	143 Å²	143	60.4 Å²	60.4	54%	0.54	29%	0.288	S	S	.	.			trans	-82.8	138.8	173.6	-65.9	-177.1	-179.1	179.3	1.9	111	F445 H446 M504	F445-R466 WeakPolarHBondContact CD1-O 3.49Å; H446-R466 HydrophobicContact CB-CB 4.11Å; H446-R466 PolarHBondContact N-O 3.44Å; R466-M504 WeakPolarHBondContact CA-O 3.44Å
467	M	96	Very high	90.8	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.005	31%	0.309	C	S	.	.			trans	-56.8	139	174	-80.1	-175.2	-63.6	0	0	111.1	T469 T470 M504 L506 I588 N591 P598	M467-T469 PolarHBondContact O-N 3.29Å; M467-T470 HydrophobicContact CB-CG2 3.92Å; M467-T470 HydrophobicContact CE-CG2 4.08Å; M467-M504 HydrophobicContact CE-CB 4Å; M467-M504 HydrophobicContact CE-CE 4.28Å; M467-M504 HydrophobicContact CG-CB 4.24Å; M467-M504 PolarHBondContact N-O 2.96Å; M467-L506 HydrophobicContact CE-CB 3.7Å; M467-L506 HydrophobicContact CE-CD2 4.31Å; M467-I588 HydrophobicContact SD-CB 4.49Å; M467-I588 HydrophobicContact SD-CG1 4.04Å; M467-N591 HydrophobicContact CE-CB 3.77Å; M467-N591 HydrophobicContact SD-CB 3.84Å; M467-P598 VanDerWaalsContact CA-O 3.27Å; M467-P598 WeakPolarHBondContact CA-O 3.27Å; M467-P598 HydrophobicContact CG-CB 3.94Å; M467-P598 HydrophobicContact SD-CB 3.77Å; M467-P598 HydrophobicContact SD-CG 4.03Å
468	L	96	Very high	91	Very high	32 Å²	32	64.3 Å²	64.3	17%	0.168	30%	0.299	C	S	.	.	S	Bend	trans	-52.7	-48.4	-170.3	176.9	67.2	0	0	0	113.7	V444 F445 H446 T597 P598 M600	V444-L468 HydrophobicContact CG1-CD1 4.3Å; F445-L468 WeakPolarHBondContact O-CD1 3.31Å; H446-L468 PolarHBondContact ND1-O 3.24Å; L468-T597 HydrophobicContact CD2-CG2 4.34Å; L468-T597 PolarHBondContact N-O 3.45Å; L468-P598 PolarHBondContact N-O 3.06Å; L468-M600 HydrophobicContact CD2-CB 3.31Å; L468-M600 HydrophobicContact CD2-CG 4.31Å
469	T	95.4	Very high	91.1	Very high	49 Å²	49	64.3 Å²	64.3	30%	0.301	30%	0.299	S	S	.	.			trans	-127.8	142	169.3	69.4	0	0	0	0	110.7	M467 N591 T597	M467-T469 PolarHBondContact O-N 3.29Å; T469-N591 PolarHBondContact O-ND2 2.88Å; T469-T597 PolarHBondContact N-O 2.7Å; T469-T597 WeakPolarHBondContact OG1-CB 3.45Å; T469-T597 PolarHBondContact OG1-N 2.97Å; T469-T597 PolarHBondContact OG1-OG1 2.87Å
470	T	94.5	Very high	91.5	Very high	44 Å²	44	61.3 Å²	61.3	27%	0.27	29%	0.285	S	S	.	.			trans	-141.9	156.2	175.3	53.9	0	0	0	0	108.7	M467 S472 G505 L506 Y596	M467-T470 HydrophobicContact CB-CG2 3.92Å; M467-T470 HydrophobicContact CE-CG2 4.08Å; T470-S472 PolarHBondContact O-N 3.36Å; T470-G505 PolarHBondContact OG1-O 3.37Å; T470-L506 HydrophobicContact CG2-CB 4.39Å; T470-Y596 VanDerWaalsContact C-CD1 3.44Å
471	P	94.3	Very high	92	Very high	12 Å²	12	51.5 Å²	51.5	8%	0.078	25%	0.248	C	C	.	.			trans	-64.3	132.3	173.5	23.5	-31.6	0	0	0	111.1	D473 G474 L506 N591 L594 Y596	P471-D473 VanDerWaalsContact C-N 3.26Å; P471-D473 PolarHBondContact O-N 3.13Å; P471-G474 WeakPolarHBondContact O-CA 3.47Å; P471-G474 PolarHBondContact O-N 3.06Å; P471-L506 HydrophobicContact CG-CD1 3.98Å; P471-N591 WeakPolarHBondContact CD-OD1 3.21Å; P471-L594 HydrophobicContact CG-CD1 4.2Å; P471-Y596 HydrophobicContact CB-CD2 4.41Å; P471-Y596 HydrophobicContact CB-CE1 4.23Å; P471-Y596 HydrophobicContact CB-CE2 3.74Å; P471-Y596 HydrophobicContact CG-CD2 4.34Å; P471-Y596 HydrophobicContact CG-CE2 4.13Å
472	S	89.4	Confident	92.5	Very high	101 Å²	101	48.1 Å²	48.1	71%	0.706	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-40	173.8	47.9	0	0	0	0	112.8	T470 G474 R507	T470-S472 PolarHBondContact O-N 3.36Å; S472-G474 PolarHBondContact O-N 3.45Å; S472-R507 PolarHBondContact O-NH2 2.87Å; S472-R507 VanDerWaalsContact O-NH2 3.08Å
473	D	86.3	Confident	93	Very high	76 Å²	76	47.9 Å²	47.9	41%	0.406	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-23.5	176.7	-49.3	-19	0	0	0	111.6	P471 R507 K537	P471-D473 VanDerWaalsContact C-N 3.26Å; P471-D473 PolarHBondContact O-N 3.13Å; D473-R507 PolarHBondContact O-NE 3Å; D473-R507 VanDerWaalsContact O-NE 3.15Å; D473-R507 PolarHBondContact O-NH2 2.9Å; D473-K537 IonicContact OD2-NZ 2.71Å; D473-K537 PolarHBondContact OD2-NZ 3.03Å
474	G	92.4	Very high	93.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.22	C	C	.	.			trans	75.5	-160.7	-161.8	0	0	0	0	0	112.3	P471 S472 R507	P471-G474 WeakPolarHBondContact O-CA 3.47Å; P471-G474 PolarHBondContact O-N 3.06Å; S472-G474 PolarHBondContact O-N 3.45Å; G474-R507 CarbonylContact C-O 3.44Å; G474-R507 WeakPolarHBondContact CA-O 3.43Å
475	L	94.3	Very high	94.4	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-93.3	88.1	164.2	-171.9	55.9	0	0	0	108.1	W478 R507 I508 R509 K537 L538 L590 L594	L475-W478 HydrophobicContact CD1-CB 3.67Å; L475-W478 HydrophobicContact CD1-CG 4.01Å; L475-W478 HydrophobicContact CD2-CB 4.23Å; L475-W478 HydrophobicContact CD2-CD2 3.73Å; L475-W478 HydrophobicContact CD2-CE3 4.08Å; L475-W478 HydrophobicContact CD2-CG 3.83Å; L475-W478 HydrophobicContact CG-CB 3.84Å; L475-W478 HydrophobicContact CG-CD2 4.02Å; L475-W478 HydrophobicContact CG-CG 3.57Å; L475-R507 PolarHBondContact N-O 2.98Å; L475-I508 HydrophobicContact CB-CB 4.49Å; L475-I508 HydrophobicContact CB-CG1 4.14Å; L475-I508 HydrophobicContact CB-CG2 4.36Å; L475-I508 HydrophobicContact CD2-CG2 4.41Å; L475-R509 PolarHBondContact O-N 2.95Å; L475-K537 HydrophobicContact CD1-CB 4.09Å; L475-L538 HydrophobicContact CD1-CB 4.24Å; L475-L590 HydrophobicContact CD2-CD1 4.26Å; L475-L594 HydrophobicContact CB-CD1 4.38Å; L475-L594 HydrophobicContact CD1-CD1 4.01Å; L475-L594 HydrophobicContact CD1-CD2 3.88Å
476	D	90.1	Very high	94.7	Very high	43 Å²	43	43.1 Å²	43.1	23%	0.23	21%	0.207	C	C	.	.			trans	-93.3	-44.4	-171.6	56.9	-15.6	0	0	0	113.6	K537	D476-K537 WeakPolarHBondContact OD1-CD 3.38Å; D476-K537 WeakPolarHBondContact OD1-CE 3.42Å; D476-K537 IonicContact OD1-NZ 3.64Å; D476-K537 PolarHBondContact OD1-NZ 3.47Å; D476-K537 IonicContact OD2-NZ 3.11Å; D476-K537 PolarHBondContact OD2-NZ 3.06Å
477	R	94.7	Very high	94.6	Very high	125 Å²	125	37.7 Å²	37.7	47%	0.472	19%	0.191	S	C	.	.	S	Bend	trans	-119.3	100.5	179.1	-170.4	173.8	73.5	-170.8	0.5	109.5	S534 D535 K537	R477-S534 WeakPolarHBondContact CD-O 3.11Å; R477-S534 PolarHBondContact NE-O 3.45Å; R477-S534 VanDerWaalsContact NE-O 3.07Å; R477-D535 PolarHBondContact NE-O 2.65Å; R477-D535 PolarHBondContact NH2-O 3.03Å; R477-K537 WeakPolarHBondContact O-CB 3.32Å; R477-K537 PolarHBondContact O-N 3.11Å
478	W	97.5	Very high	94.5	Very high	6 Å²	6	44.5 Å²	44.5	2%	0.023	22%	0.222	C	C	.	.			trans	-154.2	166.9	-178.6	73.8	-64.6	0	0	0	110.1	L475 V480 L494 L497 Y498 I508 R509 P511 Q512 L538 L540	L475-W478 HydrophobicContact CD1-CB 3.67Å; L475-W478 HydrophobicContact CD1-CG 4.01Å; L475-W478 HydrophobicContact CD2-CB 4.23Å; L475-W478 HydrophobicContact CD2-CD2 3.73Å; L475-W478 HydrophobicContact CD2-CE3 4.08Å; L475-W478 HydrophobicContact CD2-CG 3.83Å; L475-W478 HydrophobicContact CG-CB 3.84Å; L475-W478 HydrophobicContact CG-CD2 4.02Å; L475-W478 HydrophobicContact CG-CG 3.57Å; W478-V480 HydrophobicContact CE3-CG2 4.31Å; W478-V480 HydrophobicContact CH2-CG2 4.02Å; W478-V480 HydrophobicContact CZ3-CG2 3.72Å; W478-L494 HydrophobicContact CH2-CD2 3.67Å; W478-L494 HydrophobicContact CZ2-CD2 4.31Å; W478-L497 HydrophobicContact CH2-CD2 4Å; W478-Y498 HydrophobicContact CZ2-CE1 4.27Å; W478-I508 HydrophobicContact CZ2-CG2 3.52Å; W478-R509 PolarHBondContact NE1-O 2.62Å; W478-P511 HydrophobicContact CD2-CB 3.84Å; W478-P511 HydrophobicContact CE3-CB 4.22Å; W478-P511 HydrophobicContact CG-CB 4.31Å; W478-P511 HydrophobicContact CH2-CB 4.25Å; W478-P511 HydrophobicContact CH2-CG 4.23Å; W478-P511 HydrophobicContact CZ2-CB 3.84Å; W478-P511 HydrophobicContact CZ2-CG 3.89Å; W478-P511 HydrophobicContact CZ3-CB 4.42Å; W478-P511 WeakPolarHBondContact O-CA 3.2Å; W478-Q512 PolarHBondContact O-N 3.05Å; W478-L538 WeakPolarHBondContact CA-O 3.47Å; W478-L538 WeakPolarHBondContact CB-O 3.48Å; W478-L538 HydrophobicContact CE3-CD2 4.19Å; W478-L540 HydrophobicContact CZ3-CB 4Å; W478-L540 HydrophobicContact CZ3-CD1 4.24Å
479	A	98.1	Very high	94.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	160.2	-172.9	0	0	0	0	0	113.2	Q512 F514 C531 P536 L538 I539 L540	A479-Q512 VanDerWaalsContact CA-O 3.31Å; A479-Q512 WeakPolarHBondContact CA-O 3.41Å; A479-Q512 HydrophobicContact CB-CB 4.18Å; A479-F514 HydrophobicContact CB-CD2 4.23Å; A479-F514 HydrophobicContact CB-CE2 4.26Å; A479-C531 WeakPolarHBondContact CB-SG 3.4Å; A479-P536 HydrophobicContact CB-CB 4.45Å; A479-L538 PolarHBondContact N-O 3.17Å; A479-L538 VanDerWaalsContact N-O 3.12Å; A479-I539 CarbonylContact O-C 3.49Å; A479-I539 WeakPolarHBondContact O-CA 3.12Å; A479-L540 PolarHBondContact O-N 2.8Å
480	V	98.3	Very high	94.5	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	133.6	179.4	169.7	0	0	0	0	109.6	W478 L490 L494 P511 Q512 F514 L540	W478-V480 HydrophobicContact CE3-CG2 4.31Å; W478-V480 HydrophobicContact CH2-CG2 4.02Å; W478-V480 HydrophobicContact CZ3-CG2 3.72Å; V480-L490 HydrophobicContact CG1-CD1 3.48Å; V480-L490 VanDerWaalsContact CG1-CD1 3.48Å; V480-L490 HydrophobicContact CG1-CD2 3.55Å; V480-L490 HydrophobicContact CG1-CG 4.12Å; V480-L494 HydrophobicContact CG2-CD2 4.18Å; V480-P511 HydrophobicContact CB-CB 4.32Å; V480-P511 HydrophobicContact CB-CG 4.28Å; V480-P511 HydrophobicContact CG2-CB 3.67Å; V480-P511 HydrophobicContact CG2-CG 3.59Å; V480-Q512 PolarHBondContact N-O 2.8Å; V480-F514 PolarHBondContact O-N 3.01Å; V480-L540 CarbonylContact C-O 3.6Å; V480-L540 VanDerWaalsContact CA-O 3.29Å; V480-L540 WeakPolarHBondContact CA-O 3.34Å; V480-L540 HydrophobicContact CG2-CB 4.29Å
481	I	98.2	Very high	94.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	121.2	175.1	-56.3	171	0	0	0	108.9	F514 I516 Y524 A527 M528 I539 L540 C541 L542	I481-F514 WeakPolarHBondContact CA-O 3.34Å; I481-F514 HydrophobicContact CG1-CB 3.98Å; I481-I516 HydrophobicContact CG2-CD1 4.12Å; I481-I516 HydrophobicContact CG2-CG2 4.34Å; I481-Y524 HydrophobicContact CG2-CD1 3.74Å; I481-Y524 HydrophobicContact CG2-CE1 4.16Å; I481-A527 HydrophobicContact CD1-CB 4.11Å; I481-A527 HydrophobicContact CG1-CB 4.4Å; I481-A527 HydrophobicContact CG2-CB 3.96Å; I481-M528 HydrophobicContact CD1-CB 4.24Å; I481-M528 HydrophobicContact CD1-CG 3.38Å; I481-I539 HydrophobicContact CD1-CG2 3.75Å; I481-I539 HydrophobicContact CG1-CG2 4.09Å; I481-L540 PolarHBondContact N-O 2.79Å; I481-C541 WeakPolarHBondContact O-CA 3.36Å; I481-L542 PolarHBondContact O-N 3.5Å
482	A	97.6	Very high	94.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	146.8	-177.5	0	0	0	0	0	112.6	L490 F514 I515 I516 L542	A482-L490 HydrophobicContact CB-CD2 3.86Å; A482-F514 PolarHBondContact N-O 3.02Å; A482-I515 WeakPolarHBondContact O-CA 3.47Å; A482-I516 WeakPolarHBondContact O-CG1 3.43Å; A482-I516 PolarHBondContact O-N 2.92Å; A482-L542 HydrophobicContact CB-CB 4.02Å; A482-L542 HydrophobicContact CB-CD2 4.35Å
483	P	95.9	Very high	95.1	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	140.9	171.9	-20.3	33.6	0	0	0	112.2	R485 N486 I516 D519 Y524 L542	P483-R485 HydrophobicContact CB-CG 4.19Å; P483-R485 PolarHBondContact O-N 3.01Å; P483-R485 VanDerWaalsContact O-N 3.13Å; P483-N486 WeakPolarHBondContact O-CA 3.41Å; P483-N486 WeakPolarHBondContact O-CB 3.31Å; P483-N486 PolarHBondContact O-N 3.31Å; P483-I516 CarbonylContact C-O 3.51Å; P483-I516 VanDerWaalsContact CA-O 3.26Å; P483-I516 WeakPolarHBondContact CA-O 3.46Å; P483-I516 HydrophobicContact CG-CG1 4.47Å; P483-D519 HydrophobicContact CG-CB 4.1Å; P483-Y524 WeakPolarHBondContact CD-OH 3.39Å; P483-Y524 VanDerWaalsContact CG-OH 3.31Å; P483-Y524 WeakPolarHBondContact CG-OH 3.31Å; P483-L542 WeakPolarHBondContact CD-O 3.47Å
484	Q	94.7	Very high	95.6	Very high	113 Å²	113	40.9 Å²	40.9	53%	0.528	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-51.7	-39.1	-178.1	-172	-179.8	-1.5	0	0	113.7	N486 S487 I515 I516	Q484-N486 PolarHBondContact O-N 2.87Å; Q484-S487 PolarHBondContact O-N 3.26Å; Q484-S487 PolarHBondContact O-OG 3.35Å; Q484-I515 VanDerWaalsContact CA-CG2 3.48Å; Q484-I515 HydrophobicContact CB-CG2 3.62Å; Q484-I515 HydrophobicContact CG-CG2 4.03Å; Q484-I516 PolarHBondContact N-O 3.12Å
485	R	94.8	Very high	95.8	Very high	155 Å²	155	44.7 Å²	44.7	59%	0.585	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-67.3	-8.2	176.4	59.5	153.1	-157.6	-128.3	-7.3	115.3	P483 D519	P483-R485 HydrophobicContact CB-CG 4.19Å; P483-R485 PolarHBondContact O-N 3.01Å; P483-R485 VanDerWaalsContact O-N 3.13Å; R485-D519 IonicContact CZ-OD2 3.38Å; R485-D519 IonicContact NH1-OD2 2.76Å; R485-D519 IonicContact NH2-OD2 2.68Å; R485-D519 PolarHBondContact NH2-OD2 3.1Å
486	N	94.6	Very high	95.9	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.021	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-111	7.6	-179.3	-64.3	18.3	0	0	0	112.5	P483 Q484 H488 E489 L490 L542 L571	P483-N486 WeakPolarHBondContact O-CA 3.41Å; P483-N486 WeakPolarHBondContact O-CB 3.31Å; P483-N486 PolarHBondContact O-N 3.31Å; Q484-N486 PolarHBondContact O-N 2.87Å; N486-H488 VanDerWaalsContact C-N 3.28Å; N486-H488 PolarHBondContact O-N 3.47Å; N486-E489 PolarHBondContact O-N 3.06Å; N486-L490 PolarHBondContact O-N 3.19Å; N486-L542 HydrophobicContact CB-CD2 4.16Å; N486-L571 HydrophobicContact CB-CD1 4.36Å
487	S	93.3	Very high	96.2	Very high	29 Å²	29	43.3 Å²	43.3	20%	0.203	20%	0.195	C	C	.	.	H	α-helix	trans	-64.5	-27.5	-170.6	-61.3	0	0	0	0	114.2	Q484 R491	Q484-S487 PolarHBondContact O-N 3.26Å; Q484-S487 PolarHBondContact O-OG 3.35Å; S487-R491 WeakPolarHBondContact O-CG 3.37Å; S487-R491 PolarHBondContact O-N 3.32Å; S487-R491 VanDerWaalsContact O-N 3.16Å
488	H	94.9	Very high	96.3	Very high	144 Å²	144	39.8 Å²	39.8	67%	0.667	18%	0.182	S	C	*	.	H	α-helix	trans	-68.3	-50.6	175.1	176.8	76.8	0	0	0	111	N486 L490 R491 T492	N486-H488 VanDerWaalsContact C-N 3.28Å; N486-H488 PolarHBondContact O-N 3.47Å; H488-L490 PolarHBondContact O-N 2.99Å; H488-R491 PolarHBondContact O-N 2.74Å; H488-R491 VanDerWaalsContact O-N 3.16Å; H488-T492 PolarHBondContact O-N 3.3Å; H488-T492 VanDerWaalsContact O-N 3.09Å; H488-T492 PolarHBondContact O-OG1 3.24Å
489	E	95.8	Very high	96.1	Very high	29 Å²	29	48.2 Å²	48.2	14%	0.136	21%	0.214	C	C	.	.	H	α-helix	trans	-61.8	-29.9	175.3	-66.7	95.7	146.4	0	0	113.2	N486 L493 L571 T574 K575	N486-E489 PolarHBondContact O-N 3.06Å; E489-L493 WeakPolarHBondContact O-CB 3.46Å; E489-L493 PolarHBondContact O-N 2.92Å; E489-L493 VanDerWaalsContact O-N 3.09Å; E489-L571 HydrophobicContact CB-CD1 3.7Å; E489-L571 HydrophobicContact CG-CD1 3.7Å; E489-T574 HydrophobicContact CB-CG2 4.47Å; E489-T574 WeakPolarHBondContact CB-OG1 3.34Å; E489-K575 HydrophobicContact CG-CG 4.41Å; E489-K575 WeakPolarHBondContact OE1-CE 3.47Å; E489-K575 IonicContact OE1-NZ 2.76Å; E489-K575 PolarHBondContact OE1-NZ 2.87Å
490	L	96	Very high	95.9	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-64.6	-50.6	172.7	175.6	62.4	0	0	0	111.2	V480 A482 N486 H488 T492 L493 L494 I515 L542	V480-L490 HydrophobicContact CG1-CD1 3.48Å; V480-L490 VanDerWaalsContact CG1-CD1 3.48Å; V480-L490 HydrophobicContact CG1-CD2 3.55Å; V480-L490 HydrophobicContact CG1-CG 4.12Å; A482-L490 HydrophobicContact CB-CD2 3.86Å; N486-L490 PolarHBondContact O-N 3.19Å; H488-L490 PolarHBondContact O-N 2.99Å; L490-T492 VanDerWaalsContact C-N 3.33Å; L490-T492 PolarHBondContact O-N 2.92Å; L490-L493 WeakPolarHBondContact O-CB 3.4Å; L490-L493 PolarHBondContact O-N 3.13Å; L490-L493 VanDerWaalsContact O-N 3.1Å; L490-L494 HydrophobicContact CD1-CD1 4.03Å; L490-L494 HydrophobicContact CD1-CD2 4.48Å; L490-L494 HydrophobicContact CD1-CG 3.98Å; L490-L494 HydrophobicContact CD2-CD1 4.43Å; L490-L494 HydrophobicContact CG-CD1 3.93Å; L490-L494 HydrophobicContact CG-CG 4.28Å; L490-L494 WeakPolarHBondContact O-CG 3.29Å; L490-L494 PolarHBondContact O-N 3.41Å; L490-I515 HydrophobicContact CD2-CD1 4.44Å; L490-L542 HydrophobicContact CB-CD2 3.77Å; L490-L542 HydrophobicContact CD1-CD2 4.23Å
491	R	95.9	Very high	95.7	Very high	151 Å²	151	48.6 Å²	48.6	57%	0.57	22%	0.217	S	C	*	.	H	α-helix	trans	-58.1	-46.7	178.6	-70.4	174.3	-177	178.1	1.3	110.9	S487 H488 L493 L494 D495	S487-R491 WeakPolarHBondContact O-CG 3.37Å; S487-R491 PolarHBondContact O-N 3.32Å; S487-R491 VanDerWaalsContact O-N 3.16Å; H488-R491 PolarHBondContact O-N 2.74Å; H488-R491 VanDerWaalsContact O-N 3.16Å; R491-L493 VanDerWaalsContact C-N 3.27Å; R491-L493 PolarHBondContact O-N 3.28Å; R491-L494 PolarHBondContact O-N 3.13Å; R491-D495 PolarHBondContact O-N 3.26Å
492	T	96.2	Very high	95.4	Very high	53 Å²	53	52.1 Å²	52.1	33%	0.325	24%	0.241	S	C	.	.	H	α-helix	trans	-56.2	-38.6	175	-46.5	0	0	0	0	113.3	H488 L490 S496 L579	H488-T492 PolarHBondContact O-N 3.3Å; H488-T492 VanDerWaalsContact O-N 3.09Å; H488-T492 PolarHBondContact O-OG1 3.24Å; L490-T492 VanDerWaalsContact C-N 3.33Å; L490-T492 PolarHBondContact O-N 2.92Å; T492-S496 WeakPolarHBondContact O-CB 3.46Å; T492-S496 PolarHBondContact O-N 3.38Å; T492-S496 PolarHBondContact O-OG 2.88Å; T492-L579 HydrophobicContact CG2-CD2 3.93Å
493	L	97.1	Very high	95	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-68.7	-44.2	174.6	174.3	65.7	0	0	0	112	E489 L490 R491 S496 L497 L540 L542 V569 T574 L579 I586	E489-L493 WeakPolarHBondContact O-CB 3.46Å; E489-L493 PolarHBondContact O-N 2.92Å; E489-L493 VanDerWaalsContact O-N 3.09Å; L490-L493 WeakPolarHBondContact O-CB 3.4Å; L490-L493 PolarHBondContact O-N 3.13Å; L490-L493 VanDerWaalsContact O-N 3.1Å; R491-L493 VanDerWaalsContact C-N 3.27Å; R491-L493 PolarHBondContact O-N 3.28Å; L493-S496 PolarHBondContact O-N 3.49Å; L493-L497 VanDerWaalsContact O-CB 3.3Å; L493-L497 WeakPolarHBondContact O-CB 3.32Å; L493-L497 PolarHBondContact O-N 3.01Å; L493-L540 HydrophobicContact CD2-CD2 4.42Å; L493-L542 HydrophobicContact CD2-CD1 4.37Å; L493-V569 HydrophobicContact CD1-CG1 4.36Å; L493-V569 HydrophobicContact CD2-CB 4.1Å; L493-V569 HydrophobicContact CD2-CG1 3.86Å; L493-V569 HydrophobicContact CD2-CG2 4.18Å; L493-T574 HydrophobicContact CB-CG2 3.89Å; L493-T574 HydrophobicContact CD1-CG2 4.43Å; L493-T574 HydrophobicContact CD2-CG2 4.02Å; L493-T574 HydrophobicContact CG-CG2 4.33Å; L493-L579 HydrophobicContact CD1-CD1 4.18Å; L493-I586 HydrophobicContact CD1-CD1 4.24Å
494	L	97.3	Very high	94.9	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-65.6	-46.3	-179.8	-69.4	176.9	0	0	0	111.6	W478 V480 L490 R491 S496 L497 Y498 P511	W478-L494 HydrophobicContact CH2-CD2 3.67Å; W478-L494 HydrophobicContact CZ2-CD2 4.31Å; V480-L494 HydrophobicContact CG2-CD2 4.18Å; L490-L494 HydrophobicContact CD1-CD1 4.03Å; L490-L494 HydrophobicContact CD1-CD2 4.48Å; L490-L494 HydrophobicContact CD1-CG 3.98Å; L490-L494 HydrophobicContact CD2-CD1 4.43Å; L490-L494 HydrophobicContact CG-CD1 3.93Å; L490-L494 HydrophobicContact CG-CG 4.28Å; L490-L494 WeakPolarHBondContact O-CG 3.29Å; L490-L494 PolarHBondContact O-N 3.41Å; R491-L494 PolarHBondContact O-N 3.13Å; L494-S496 VanDerWaalsContact C-N 3.29Å; L494-S496 PolarHBondContact O-N 3.24Å; L494-L497 CarbonylContact O-C 3.58Å; L494-L497 WeakPolarHBondContact O-CA 3.04Å; L494-L497 WeakPolarHBondContact O-CB 3.28Å; L494-L497 PolarHBondContact O-N 3.48Å; L494-Y498 HydrophobicContact CB-CE2 3.85Å; L494-Y498 WeakPolarHBondContact O-CD2 3.38Å; L494-Y498 VanDerWaalsContact O-CG 3.23Å; L494-Y498 PolarHBondContact O-N 3.08Å; L494-P511 HydrophobicContact CD1-CG 4.19Å; L494-P511 HydrophobicContact CD2-CG 4.47Å
495	D	96.3	Very high	94.8	Very high	80 Å²	80	50 Å²	50	43%	0.428	25%	0.25	S	C	.	.	H	α-helix	trans	-57.4	-43.1	176.1	-66.6	-33.4	0	0	0	111.9	R491 L497 R499	R491-D495 PolarHBondContact O-N 3.26Å; D495-L497 VanDerWaalsContact C-N 3.33Å; D495-R499 WeakPolarHBondContact O-CD 3.34Å; D495-R499 VanDerWaalsContact O-CG 3.24Å; D495-R499 WeakPolarHBondContact O-CG 3.47Å; D495-R499 PolarHBondContact O-N 3.03Å
496	S	96.3	Very high	94.8	Very high	14 Å²	14	42.6 Å²	42.6	10%	0.098	22%	0.222	C	C	.	.	H	α-helix	trans	-65.6	-37.2	175.8	-58.8	0	0	0	0	112	T492 L493 L494 A500 L579 A583	T492-S496 WeakPolarHBondContact O-CB 3.46Å; T492-S496 PolarHBondContact O-N 3.38Å; T492-S496 PolarHBondContact O-OG 2.88Å; L493-S496 PolarHBondContact O-N 3.49Å; L494-S496 VanDerWaalsContact C-N 3.29Å; L494-S496 PolarHBondContact O-N 3.24Å; S496-A500 VanDerWaalsContact O-CB 3.26Å; S496-A500 WeakPolarHBondContact O-CB 3.33Å; S496-A500 PolarHBondContact O-N 3.21Å; S496-A500 VanDerWaalsContact O-N 3.08Å; S496-L579 VanDerWaalsContact OG-CD2 3.23Å; S496-L579 WeakPolarHBondContact OG-CD2 3.38Å; S496-A583 WeakPolarHBondContact O-CB 3.41Å
497	L	96.6	Very high	94.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-70.2	-45.5	178.6	-175.4	69.2	0	0	0	111.8	W478 L493 L494 D495 R499 A500 A501 I508 I586 A587 L590	W478-L497 HydrophobicContact CH2-CD2 4Å; L493-L497 VanDerWaalsContact O-CB 3.3Å; L493-L497 WeakPolarHBondContact O-CB 3.32Å; L493-L497 PolarHBondContact O-N 3.01Å; L494-L497 CarbonylContact O-C 3.58Å; L494-L497 WeakPolarHBondContact O-CA 3.04Å; L494-L497 WeakPolarHBondContact O-CB 3.28Å; L494-L497 PolarHBondContact O-N 3.48Å; D495-L497 VanDerWaalsContact C-N 3.33Å; L497-R499 PolarHBondContact O-N 3.41Å; L497-A500 PolarHBondContact O-N 2.91Å; L497-A501 WeakPolarHBondContact O-CB 3.41Å; L497-A501 PolarHBondContact O-N 3.04Å; L497-I508 HydrophobicContact CD2-CD1 4.4Å; L497-I508 HydrophobicContact CG-CD1 4.15Å; L497-I586 HydrophobicContact CD1-CB 4.19Å; L497-I586 HydrophobicContact CD1-CG2 3.79Å; L497-A587 HydrophobicContact CD1-CB 3.94Å; L497-L590 HydrophobicContact CD1-CD1 4.15Å; L497-L590 HydrophobicContact CD2-CD1 3.96Å
498	Y	96.4	Very high	95	Very high	51 Å²	51	48 Å²	48	20%	0.2	24%	0.239	C	C	.	.	H	α-helix	trans	-59.4	-47.4	177	-58	-43	0	0	0	111.2	W478 L494 S502 I508 P511	W478-Y498 HydrophobicContact CZ2-CE1 4.27Å; L494-Y498 HydrophobicContact CB-CE2 3.85Å; L494-Y498 WeakPolarHBondContact O-CD2 3.38Å; L494-Y498 VanDerWaalsContact O-CG 3.23Å; L494-Y498 PolarHBondContact O-N 3.08Å; Y498-S502 VanDerWaalsContact O-CB 3.28Å; Y498-S502 WeakPolarHBondContact O-CB 3.48Å; Y498-S502 PolarHBondContact O-N 3.4Å; Y498-S502 PolarHBondContact O-OG 3.41Å; Y498-I508 HydrophobicContact CD1-CB 4.16Å; Y498-I508 HydrophobicContact CD1-CG2 3.92Å; Y498-I508 HydrophobicContact CE1-CG2 3.86Å; Y498-P511 WeakPolarHBondContact OH-CD 3.04Å
499	R	94.3	Very high	95	Very high	182 Å²	182	47.7 Å²	47.7	69%	0.687	23%	0.232	S	C	*	.	H	α-helix	trans	-60.9	-48	178	-69.5	171.7	-170.8	-155.7	2.6	111.4	D495 L497 G503 M580	D495-R499 WeakPolarHBondContact O-CD 3.34Å; D495-R499 VanDerWaalsContact O-CG 3.24Å; D495-R499 WeakPolarHBondContact O-CG 3.47Å; D495-R499 PolarHBondContact O-N 3.03Å; L497-R499 PolarHBondContact O-N 3.41Å; R499-G503 PolarHBondContact O-N 3.44Å; R499-M580 HydrophobicContact CB-CE 3.85Å; R499-M580 HydrophobicContact CB-SD 4.47Å
500	A	93.9	Very high	95	Very high	9 Å²	9	51 Å²	51	7%	0.074	26%	0.258	C	S	.	.	H	α-helix	trans	-69.6	-39.8	-178.3	0	0	0	0	0	113.3	S496 L497 M580 A583	S496-A500 VanDerWaalsContact O-CB 3.26Å; S496-A500 WeakPolarHBondContact O-CB 3.33Å; S496-A500 PolarHBondContact O-N 3.21Å; S496-A500 VanDerWaalsContact O-N 3.08Å; L497-A500 PolarHBondContact O-N 2.91Å; A500-M580 HydrophobicContact CB-CE 4.14Å; A500-A583 HydrophobicContact CB-CB 4.07Å
501	A	94.7	Very high	95.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-67.9	-42.1	178.5	0	0	0	0	0	112.1	L497 G503 M504 G505 L506 I508 A587	L497-A501 WeakPolarHBondContact O-CB 3.41Å; L497-A501 PolarHBondContact O-N 3.04Å; A501-G503 PolarHBondContact O-N 3.41Å; A501-M504 CarbonylContact O-C 3.52Å; A501-M504 PolarHBondContact O-N 3.37Å; A501-G505 PolarHBondContact O-N 2.86Å; A501-L506 CarbonylContact C-O 3.23Å; A501-L506 VanDerWaalsContact C-O 3.27Å; A501-L506 HydrophobicContact CB-CB 4.16Å; A501-L506 HydrophobicContact CB-CD2 4.29Å; A501-L506 HydrophobicContact CB-CG 4.34Å; A501-L506 WeakPolarHBondContact CB-O 3.46Å; A501-L506 PolarHBondContact O-N 2.93Å; A501-I508 HydrophobicContact CB-CD1 3.39Å; A501-I508 HydrophobicContact CB-CG1 3.8Å; A501-A587 HydrophobicContact CB-CB 3.81Å
502	S	91.8	Very high	95.1	Very high	73 Å²	73	49 Å²	49	51%	0.51	26%	0.257	S	S	.	.	H	α-helix	trans	-62.5	-42.8	-179.1	-58.2	0	0	0	0	112.4	Y498 M504 G505	Y498-S502 VanDerWaalsContact O-CB 3.28Å; Y498-S502 WeakPolarHBondContact O-CB 3.48Å; Y498-S502 PolarHBondContact O-N 3.4Å; Y498-S502 PolarHBondContact O-OG 3.41Å; S502-M504 VanDerWaalsContact C-N 3.27Å; S502-M504 PolarHBondContact O-N 3.06Å; S502-G505 PolarHBondContact O-N 3.31Å
503	G	88.7	Confident	95.1	Very high	44 Å²	44	50.7 Å²	50.7	45%	0.454	26%	0.261	S	S	.	.	H	α-helix	trans	-59.5	-37.7	175.4	0	0	0	0	0	112.9	R499 A501 G505	R499-G503 PolarHBondContact O-N 3.44Å; A501-G503 PolarHBondContact O-N 3.41Å; G503-G505 VanDerWaalsContact C-N 3.26Å; G503-G505 PolarHBondContact O-N 3.11Å
504	M	93.1	Very high	95	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	5.6	175.5	-64.2	-172.3	-60.7	0	0	114.4	F462 R466 M467 A501 S502 T584 A587 I588	F462-M504 HydrophobicContact CB-SD 4.17Å; F462-M504 HydrophobicContact CD1-SD 4.09Å; F462-M504 WeakPolarHBondContact O-CG 3.42Å; R466-M504 WeakPolarHBondContact CA-O 3.44Å; M467-M504 HydrophobicContact CE-CB 4Å; M467-M504 HydrophobicContact CE-CE 4.28Å; M467-M504 HydrophobicContact CG-CB 4.24Å; M467-M504 PolarHBondContact N-O 2.96Å; A501-M504 CarbonylContact O-C 3.52Å; A501-M504 PolarHBondContact O-N 3.37Å; S502-M504 VanDerWaalsContact C-N 3.27Å; S502-M504 PolarHBondContact O-N 3.06Å; M504-T584 HydrophobicContact CE-CG2 3.98Å; M504-T584 WeakPolarHBondContact CE-O 3.44Å; M504-T584 HydrophobicContact SD-CG2 3.57Å; M504-T584 VanDerWaalsContact SD-CG2 3.57Å; M504-A587 HydrophobicContact CE-CB 3.46Å; M504-A587 VanDerWaalsContact CE-CB 3.46Å; M504-I588 HydrophobicContact CE-CG1 3.91Å; M504-I588 HydrophobicContact SD-CD1 3.98Å; M504-I588 HydrophobicContact SD-CG1 3.65Å
505	G	93.4	Very high	95	Very high	24 Å²	24	55.6 Å²	55.6	25%	0.247	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	10.1	179.1	0	0	0	0	0	115.7	T470 A501 S502 G503	T470-G505 PolarHBondContact OG1-O 3.37Å; A501-G505 PolarHBondContact O-N 2.86Å; S502-G505 PolarHBondContact O-N 3.31Å; G503-G505 VanDerWaalsContact C-N 3.26Å; G503-G505 PolarHBondContact O-N 3.11Å
506	L	95.5	Very high	95	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.268	C	S	.	.			trans	-91.6	99	170.9	177.1	65.1	0	0	0	109.4	M467 T470 P471 A501 I508 N591	M467-L506 HydrophobicContact CE-CB 3.7Å; M467-L506 HydrophobicContact CE-CD2 4.31Å; T470-L506 HydrophobicContact CG2-CB 4.39Å; P471-L506 HydrophobicContact CG-CD1 3.98Å; A501-L506 CarbonylContact C-O 3.23Å; A501-L506 VanDerWaalsContact C-O 3.27Å; A501-L506 HydrophobicContact CB-CB 4.16Å; A501-L506 HydrophobicContact CB-CD2 4.29Å; A501-L506 HydrophobicContact CB-CG 4.34Å; A501-L506 WeakPolarHBondContact CB-O 3.46Å; A501-L506 PolarHBondContact O-N 2.93Å; L506-I508 HydrophobicContact CD2-CD1 4.06Å; L506-I508 HydrophobicContact CD2-CG1 4.22Å; L506-I508 HydrophobicContact CG-CD1 4.35Å; L506-I508 HydrophobicContact CG-CG1 3.97Å; L506-I508 PolarHBondContact O-N 2.89Å; L506-N591 HydrophobicContact CD2-CB 4.31Å
507	R	95.3	Very high	94.8	Very high	128 Å²	128	61.9 Å²	61.9	48%	0.483	30%	0.303	S	S	.	.			trans	-63.6	122.7	171	-178	172	73.9	-162.6	3.1	109.3	S472 D473 G474 L475	S472-R507 PolarHBondContact O-NH2 2.87Å; S472-R507 VanDerWaalsContact O-NH2 3.08Å; D473-R507 PolarHBondContact O-NE 3Å; D473-R507 VanDerWaalsContact O-NE 3.15Å; D473-R507 PolarHBondContact O-NH2 2.9Å; G474-R507 CarbonylContact C-O 3.44Å; G474-R507 WeakPolarHBondContact CA-O 3.43Å; L475-R507 PolarHBondContact N-O 2.98Å
508	I	96	Very high	94.6	Very high	19 Å²	19	64 Å²	64	10%	0.097	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-119.9	129.7	172.9	-57.8	-174.2	0	0	0	107.8	L475 W478 L497 Y498 A501 L506 L590	L475-I508 HydrophobicContact CB-CB 4.49Å; L475-I508 HydrophobicContact CB-CG1 4.14Å; L475-I508 HydrophobicContact CB-CG2 4.36Å; L475-I508 HydrophobicContact CD2-CG2 4.41Å; W478-I508 HydrophobicContact CZ2-CG2 3.52Å; L497-I508 HydrophobicContact CD2-CD1 4.4Å; L497-I508 HydrophobicContact CG-CD1 4.15Å; Y498-I508 HydrophobicContact CD1-CB 4.16Å; Y498-I508 HydrophobicContact CD1-CG2 3.92Å; Y498-I508 HydrophobicContact CE1-CG2 3.86Å; A501-I508 HydrophobicContact CB-CD1 3.39Å; A501-I508 HydrophobicContact CB-CG1 3.8Å; L506-I508 HydrophobicContact CD2-CD1 4.06Å; L506-I508 HydrophobicContact CD2-CG1 4.22Å; L506-I508 HydrophobicContact CG-CD1 4.35Å; L506-I508 HydrophobicContact CG-CG1 3.97Å; L506-I508 PolarHBondContact O-N 2.89Å; I508-L590 HydrophobicContact CD1-CD1 4.28Å
509	R	95.3	Very high	94.4	Very high	137 Å²	137	63.6 Å²	63.6	52%	0.517	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-91.2	168.5	171.1	-65.9	-172.8	174.6	161.8	-3.5	110.6	L475 W478	L475-R509 PolarHBondContact O-N 2.95Å; W478-R509 PolarHBondContact NE1-O 2.62Å
510	S	95.6	Very high	94.4	Very high	100 Å²	100	63.4 Å²	63.4	70%	0.699	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-58.6	135.6	173.2	-53	0	0	0	0	111.4
511	P	96.8	Very high	94.5	Very high	17 Å²	17	64.4 Å²	64.4	11%	0.11	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-77.2	164.8	177.1	30.8	-33.8	0	0	0	112.4	W478 V480 L494 Y498 E513	W478-P511 HydrophobicContact CD2-CB 3.84Å; W478-P511 HydrophobicContact CE3-CB 4.22Å; W478-P511 HydrophobicContact CG-CB 4.31Å; W478-P511 HydrophobicContact CH2-CB 4.25Å; W478-P511 HydrophobicContact CH2-CG 4.23Å; W478-P511 HydrophobicContact CZ2-CB 3.84Å; W478-P511 HydrophobicContact CZ2-CG 3.89Å; W478-P511 HydrophobicContact CZ3-CB 4.42Å; W478-P511 WeakPolarHBondContact O-CA 3.2Å; V480-P511 HydrophobicContact CB-CB 4.32Å; V480-P511 HydrophobicContact CB-CG 4.28Å; V480-P511 HydrophobicContact CG2-CB 3.67Å; V480-P511 HydrophobicContact CG2-CG 3.59Å; L494-P511 HydrophobicContact CD1-CG 4.19Å; L494-P511 HydrophobicContact CD2-CG 4.47Å; Y498-P511 WeakPolarHBondContact OH-CD 3.04Å; P511-E513 PolarHBondContact O-N 3.38Å
512	Q	96.6	Very high	94.5	Very high	92 Å²	92	66.3 Å²	66.3	43%	0.43	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	117	157.6	-168.5	176.3	7.7	0	0	109.4	W478 A479 V480 F514 S534	W478-Q512 PolarHBondContact O-N 3.05Å; A479-Q512 VanDerWaalsContact CA-O 3.31Å; A479-Q512 WeakPolarHBondContact CA-O 3.41Å; A479-Q512 HydrophobicContact CB-CB 4.18Å; V480-Q512 PolarHBondContact N-O 2.8Å; Q512-F514 HydrophobicContact CB-CE2 4.18Å; Q512-F514 HydrophobicContact CG-CD2 4.13Å; Q512-F514 HydrophobicContact CG-CE2 3.56Å; Q512-F514 HydrophobicContact CG-CZ 4.23Å; Q512-S534 PolarHBondContact OE1-OG 2.99Å
513	E	95.4	Very high	94.7	Very high	88 Å²	88	63.7 Å²	63.7	41%	0.411	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	116.2	178.4	-67.6	-169	-179.2	0	0	111.5	P511 I515	P511-E513 PolarHBondContact O-N 3.38Å; E513-I515 HydrophobicContact CB-CD1 4.42Å
514	F	96.1	Very high	95.2	Very high	44 Å²	44	61.6 Å²	61.6	19%	0.193	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	90.2	170.8	-76.4	-93.4	0	0	0	109.4	A479 V480 I481 A482 Q512 C531	A479-F514 HydrophobicContact CB-CD2 4.23Å; A479-F514 HydrophobicContact CB-CE2 4.26Å; V480-F514 PolarHBondContact O-N 3.01Å; I481-F514 WeakPolarHBondContact CA-O 3.34Å; I481-F514 HydrophobicContact CG1-CB 3.98Å; A482-F514 PolarHBondContact N-O 3.02Å; Q512-F514 HydrophobicContact CB-CE2 4.18Å; Q512-F514 HydrophobicContact CG-CD2 4.13Å; Q512-F514 HydrophobicContact CG-CE2 3.56Å; Q512-F514 HydrophobicContact CG-CZ 4.23Å; F514-C531 HydrophobicContact CD1-CB 4.48Å; F514-C531 HydrophobicContact CD2-CB 3.93Å; F514-C531 HydrophobicContact CE1-CB 4.13Å; F514-C531 HydrophobicContact CE2-CB 3.5Å; F514-C531 VanDerWaalsContact CE2-SG 3.58Å; F514-C531 HydrophobicContact CG-CB 4.4Å; F514-C531 VanDerWaalsContact CZ-CA 3.48Å; F514-C531 HydrophobicContact CZ-CB 3.64Å
515	I	96.6	Very high	95.4	Very high	64 Å²	64	62.6 Å²	62.6	33%	0.328	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	121.9	178.3	-55.7	-55.8	0	0	0	109.8	A482 Q484 L490 E513	A482-I515 WeakPolarHBondContact O-CA 3.47Å; Q484-I515 VanDerWaalsContact CA-CG2 3.48Å; Q484-I515 HydrophobicContact CB-CG2 3.62Å; Q484-I515 HydrophobicContact CG-CG2 4.03Å; L490-I515 HydrophobicContact CD2-CD1 4.44Å; E513-I515 HydrophobicContact CB-CD1 4.42Å
516	I	96.3	Very high	95.5	Very high	16 Å²	16	69 Å²	69	8%	0.082	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	145.9	-179.6	57.5	174.3	0	0	0	111.7	I481 A482 P483 Q484 D518 Y524 A527	I481-I516 HydrophobicContact CG2-CD1 4.12Å; I481-I516 HydrophobicContact CG2-CG2 4.34Å; A482-I516 WeakPolarHBondContact O-CG1 3.43Å; A482-I516 PolarHBondContact O-N 2.92Å; P483-I516 CarbonylContact C-O 3.51Å; P483-I516 VanDerWaalsContact CA-O 3.26Å; P483-I516 WeakPolarHBondContact CA-O 3.46Å; P483-I516 HydrophobicContact CG-CG1 4.47Å; Q484-I516 PolarHBondContact N-O 3.12Å; I516-D518 VanDerWaalsContact CD1-O 3.3Å; I516-D518 WeakPolarHBondContact CD1-O 3.48Å; I516-D518 WeakPolarHBondContact CG1-O 3.46Å; I516-Y524 HydrophobicContact CD1-CD1 4.11Å; I516-Y524 HydrophobicContact CD1-CD2 3.81Å; I516-Y524 HydrophobicContact CD1-CE1 4.06Å; I516-Y524 HydrophobicContact CD1-CE2 3.74Å; I516-Y524 HydrophobicContact CD1-CG 3.99Å; I516-A527 HydrophobicContact CG2-CB 3.81Å
517	Y	93.1	Very high	95.6	Very high	210 Å²	210	69.3 Å²	69.3	82%	0.824	33%	0.325	S	S	*	.	S	Bend	trans	-73.7	-35.3	-176.1	-58.3	-69.7	0	0	0	113.8
518	D	92	Very high	95.6	Very high	46 Å²	46	63.4 Å²	63.4	25%	0.246	30%	0.303	C	S	.	.			trans	-119	177.6	178.4	76.9	42.3	0	0	0	112.2	I516 R520 T523	I516-D518 VanDerWaalsContact CD1-O 3.3Å; I516-D518 WeakPolarHBondContact CD1-O 3.48Å; I516-D518 WeakPolarHBondContact CG1-O 3.46Å; D518-R520 HydrophobicContact CB-CG 4.37Å; D518-R520 VanDerWaalsContact OD1-CB 3.24Å; D518-R520 WeakPolarHBondContact OD1-CB 3.28Å; D518-R520 WeakPolarHBondContact OD1-CG 3.46Å; D518-R520 PolarHBondContact OD1-N 3.14Å; D518-R520 WeakPolarHBondContact OD2-CD 3.46Å; D518-R520 IonicContact OD2-NE 3.83Å; D518-T523 WeakPolarHBondContact OD1-CB 3.47Å; D518-T523 WeakPolarHBondContact OD1-CG2 3.38Å; D518-T523 PolarHBondContact OD1-OG1 2.84Å; D518-T523 WeakPolarHBondContact OD2-CG2 3.28Å
519	D	92	Very high	95.6	Very high	42 Å²	42	64.5 Å²	64.5	23%	0.225	31%	0.308	C	S	.	.			trans	-112.7	18.4	177	68.7	-2.8	0	0	0	114.2	P483 R485 Y524 P544 R550	P483-D519 HydrophobicContact CG-CB 4.1Å; R485-D519 IonicContact CZ-OD2 3.38Å; R485-D519 IonicContact NH1-OD2 2.76Å; R485-D519 IonicContact NH2-OD2 2.68Å; R485-D519 PolarHBondContact NH2-OD2 3.1Å; D519-Y524 HydrophobicContact CB-CE2 4.35Å; D519-P544 HydrophobicContact CB-CG 3.94Å; D519-P544 WeakPolarHBondContact OD2-CG 3.38Å; D519-R550 PolarHBondContact O-NE 3.46Å; D519-R550 PolarHBondContact O-NH2 3.48Å; D519-R550 IonicContact OD1-NH2 2.7Å; D519-R550 IonicContact OD2-NH2 3.37Å
520	R	94.3	Very high	95.5	Very high	178 Å²	178	61.4 Å²	61.4	67%	0.672	30%	0.302	S	S	*	.			trans	-68.1	151.8	-178.4	-61.3	177.1	177.6	175.5	-3.2	111	D518 G522 T523 Y524	D518-R520 HydrophobicContact CB-CG 4.37Å; D518-R520 VanDerWaalsContact OD1-CB 3.24Å; D518-R520 WeakPolarHBondContact OD1-CB 3.28Å; D518-R520 WeakPolarHBondContact OD1-CG 3.46Å; D518-R520 PolarHBondContact OD1-N 3.14Å; D518-R520 WeakPolarHBondContact OD2-CD 3.46Å; D518-R520 IonicContact OD2-NE 3.83Å; R520-G522 PolarHBondContact O-N 2.88Å; R520-T523 PolarHBondContact O-N 3.38Å; R520-T523 PolarHBondContact O-OG1 3.27Å; R520-Y524 WeakPolarHBondContact O-CD2 3.43Å
521	T	95.5	Very high	95.4	Very high	29 Å²	29	56.7 Å²	56.7	18%	0.178	27%	0.269	C	S	.	.	H	α-helix	trans	-54.7	-39.7	178.7	-55.3	0	0	0	0	112.2	T523 V525 E549 S553	T521-T523 PolarHBondContact O-N 3.3Å; T521-V525 VanDerWaalsContact O-CG2 3.31Å; T521-V525 WeakPolarHBondContact O-CG2 3.38Å; T521-V525 PolarHBondContact O-N 3.38Å; T521-E549 WeakPolarHBondContact CB-OE1 3.43Å; T521-E549 PolarHBondContact OG1-OE1 2.76Å; T521-S553 VanDerWaalsContact CG2-OG 3.31Å; T521-S553 WeakPolarHBondContact CG2-OG 3.31Å
522	G	95.9	Very high	95.3	Very high	41 Å²	41	57 Å²	57	42%	0.423	27%	0.271	S	S	.	.	H	α-helix	trans	-73.3	-14.2	-178.6	0	0	0	0	0	117	R520 R526	R520-G522 PolarHBondContact O-N 2.88Å; G522-R526 WeakPolarHBondContact O-CG 3.47Å; G522-R526 PolarHBondContact O-N 2.93Å; G522-R526 PolarHBondContact O-NE 2.79Å; G522-R526 VanDerWaalsContact O-NE 3.12Å
523	T	96.3	Very high	95	Very high	17 Å²	17	62 Å²	62	10%	0.104	29%	0.286	C	S	.	.	H	α-helix	trans	-85	-43.2	173	42.1	0	0	0	0	111.5	D518 R520 T521 V525 R526 A527	D518-T523 WeakPolarHBondContact OD1-CB 3.47Å; D518-T523 WeakPolarHBondContact OD1-CG2 3.38Å; D518-T523 PolarHBondContact OD1-OG1 2.84Å; D518-T523 WeakPolarHBondContact OD2-CG2 3.28Å; R520-T523 PolarHBondContact O-N 3.38Å; R520-T523 PolarHBondContact O-OG1 3.27Å; T521-T523 PolarHBondContact O-N 3.3Å; T523-V525 VanDerWaalsContact C-N 3.27Å; T523-V525 PolarHBondContact O-N 2.73Å; T523-R526 PolarHBondContact O-N 2.91Å; T523-A527 VanDerWaalsContact O-CB 3.31Å; T523-A527 WeakPolarHBondContact O-CB 3.42Å; T523-A527 PolarHBondContact O-N 3.39Å
524	Y	97.6	Very high	94.9	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-56.8	-42.1	169.8	-73.3	-91.1	0	0	0	111.8	I481 P483 I516 D519 R520 M528 C541 L542 V543 R550 I554	I481-Y524 HydrophobicContact CG2-CD1 3.74Å; I481-Y524 HydrophobicContact CG2-CE1 4.16Å; P483-Y524 WeakPolarHBondContact CD-OH 3.39Å; P483-Y524 VanDerWaalsContact CG-OH 3.31Å; P483-Y524 WeakPolarHBondContact CG-OH 3.31Å; I516-Y524 HydrophobicContact CD1-CD1 4.11Å; I516-Y524 HydrophobicContact CD1-CD2 3.81Å; I516-Y524 HydrophobicContact CD1-CE1 4.06Å; I516-Y524 HydrophobicContact CD1-CE2 3.74Å; I516-Y524 HydrophobicContact CD1-CG 3.99Å; D519-Y524 HydrophobicContact CB-CE2 4.35Å; R520-Y524 WeakPolarHBondContact O-CD2 3.43Å; Y524-M528 WeakPolarHBondContact O-CB 3.37Å; Y524-M528 VanDerWaalsContact O-CG 3.28Å; Y524-M528 WeakPolarHBondContact O-CG 3.46Å; Y524-M528 PolarHBondContact O-N 3.01Å; Y524-C541 HydrophobicContact CD1-CB 4.25Å; Y524-C541 HydrophobicContact CE1-CB 4.28Å; Y524-L542 PolarHBondContact OH-O 2.65Å; Y524-L542 VanDerWaalsContact OH-O 3.11Å; Y524-V543 HydrophobicContact CE1-CG1 4.12Å; Y524-R550 HydrophobicContact CD2-CG 4.26Å; Y524-I554 HydrophobicContact CD1-CD1 3.91Å; Y524-I554 HydrophobicContact CG-CD1 4.05Å
525	V	96.9	Very high	94.8	Very high	22 Å²	22	62.6 Å²	62.6	13%	0.133	30%	0.296	C	S	.	.	H	α-helix	trans	-62.2	-50.1	178.7	167.8	0	0	0	0	111.7	T521 T523 M528 D529 R557	T521-V525 VanDerWaalsContact O-CG2 3.31Å; T521-V525 WeakPolarHBondContact O-CG2 3.38Å; T521-V525 PolarHBondContact O-N 3.38Å; T523-V525 VanDerWaalsContact C-N 3.27Å; T523-V525 PolarHBondContact O-N 2.73Å; V525-M528 WeakPolarHBondContact O-CB 3.36Å; V525-M528 PolarHBondContact O-N 3.19Å; V525-D529 PolarHBondContact O-N 2.71Å; V525-R557 HydrophobicContact CG1-CG 3.93Å; V525-R557 HydrophobicContact CG2-CG 4.07Å
526	R	96.4	Very high	94.8	Very high	158 Å²	158	59.8 Å²	59.8	60%	0.596	28%	0.282	S	S	*	.	H	α-helix	trans	-61.8	-48	177.3	-74.4	-178.5	-69.8	163.5	0.2	111.9	G522 T523 M528 D529 D530	G522-R526 WeakPolarHBondContact O-CG 3.47Å; G522-R526 PolarHBondContact O-N 2.93Å; G522-R526 PolarHBondContact O-NE 2.79Å; G522-R526 VanDerWaalsContact O-NE 3.12Å; T523-R526 PolarHBondContact O-N 2.91Å; R526-M528 PolarHBondContact O-N 2.96Å; R526-D529 PolarHBondContact O-N 3.16Å; R526-D530 PolarHBondContact O-N 3.05Å
527	A	96.7	Very high	94.8	Very high	8 Å²	8	62 Å²	62	7%	0.066	29%	0.291	C	S	.	.	H	α-helix	trans	-59.3	-31.7	176.5	0	0	0	0	0	112.8	I481 I516 T523 C531	I481-A527 HydrophobicContact CD1-CB 4.11Å; I481-A527 HydrophobicContact CG1-CB 4.4Å; I481-A527 HydrophobicContact CG2-CB 3.96Å; I516-A527 HydrophobicContact CG2-CB 3.81Å; T523-A527 VanDerWaalsContact O-CB 3.31Å; T523-A527 WeakPolarHBondContact O-CB 3.42Å; T523-A527 PolarHBondContact O-N 3.39Å; A527-C531 WeakPolarHBondContact O-CB 3.49Å; A527-C531 PolarHBondContact O-N 3.08Å
528	M	96.5	Very high	95	Very high	4 Å²	4	52 Å²	52	2%	0.02	25%	0.252	C	S	.	.	H	α-helix	trans	-69.3	-48.1	170.4	-76.3	-178.7	67.1	0	0	112.3	I481 Y524 V525 R526 D530 C531 V532 I554 R557 T566	I481-M528 HydrophobicContact CD1-CB 4.24Å; I481-M528 HydrophobicContact CD1-CG 3.38Å; Y524-M528 WeakPolarHBondContact O-CB 3.37Å; Y524-M528 VanDerWaalsContact O-CG 3.28Å; Y524-M528 WeakPolarHBondContact O-CG 3.46Å; Y524-M528 PolarHBondContact O-N 3.01Å; V525-M528 WeakPolarHBondContact O-CB 3.36Å; V525-M528 PolarHBondContact O-N 3.19Å; R526-M528 PolarHBondContact O-N 2.96Å; M528-D530 VanDerWaalsContact C-N 3.29Å; M528-D530 PolarHBondContact O-N 2.95Å; M528-C531 PolarHBondContact O-N 3.15Å; M528-V532 WeakPolarHBondContact O-CG2 3.41Å; M528-V532 PolarHBondContact O-N 2.91Å; M528-I554 HydrophobicContact CE-CG2 4.5Å; M528-I554 WeakPolarHBondContact CE-O 3.37Å; M528-I554 HydrophobicContact SD-CB 4.21Å; M528-I554 HydrophobicContact SD-CG1 4.22Å; M528-I554 HydrophobicContact SD-CG2 3.86Å; M528-R557 HydrophobicContact CE-CB 4.19Å; M528-T566 HydrophobicContact CE-CG2 3.86Å
529	D	94.9	Very high	95.3	Very high	41 Å²	41	49.8 Å²	49.8	22%	0.219	24%	0.241	C	C	.	.	H	α-helix	trans	-64	-32.2	179.7	-80.8	-54.7	0	0	0	112.8	V525 R526 R557 R562	V525-D529 PolarHBondContact O-N 2.71Å; R526-D529 PolarHBondContact O-N 3.16Å; D529-R557 IonicContact OD2-NE 2.75Å; D529-R562 IonicContact OD1-CZ 2.98Å; D529-R562 VanDerWaalsContact OD1-CZ 3.22Å; D529-R562 IonicContact OD1-NE 3.07Å; D529-R562 PolarHBondContact OD1-NE 2.95Å; D529-R562 IonicContact OD1-NH2 3.67Å; D529-R562 PolarHBondContact OD1-NH2 3.02Å
530	D	94.4	Very high	95.6	Very high	73 Å²	73	47.9 Å²	47.9	39%	0.39	23%	0.23	S	C	.	.	H	α-helix	trans	-75.3	-41.3	172.9	-63.6	-36.1	0	0	0	112.2	R526 M528 R533	R526-D530 PolarHBondContact O-N 3.05Å; M528-D530 VanDerWaalsContact C-N 3.29Å; M528-D530 PolarHBondContact O-N 2.95Å; D530-R533 WeakPolarHBondContact O-CB 3.05Å; D530-R533 VanDerWaalsContact O-CG 3.31Å; D530-R533 WeakPolarHBondContact O-CG 3.29Å; D530-R533 PolarHBondContact O-N 2.98Å; D530-R533 IonicContact OD1-CZ 3.61Å; D530-R533 IonicContact OD1-NE 3.65Å; D530-R533 IonicContact OD1-NH2 3.62Å; D530-R533 PolarHBondContact OD1-NH2 3.05Å
531	C	93.4	Very high	95.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65	-37.2	176.9	172.9	0	0	0	0	113.4	A479 F514 A527 M528 R533 S534 P536 I539	A479-C531 WeakPolarHBondContact CB-SG 3.4Å; F514-C531 HydrophobicContact CD1-CB 4.48Å; F514-C531 HydrophobicContact CD2-CB 3.93Å; F514-C531 HydrophobicContact CE1-CB 4.13Å; F514-C531 HydrophobicContact CE2-CB 3.5Å; F514-C531 VanDerWaalsContact CE2-SG 3.58Å; F514-C531 HydrophobicContact CG-CB 4.4Å; F514-C531 VanDerWaalsContact CZ-CA 3.48Å; F514-C531 HydrophobicContact CZ-CB 3.64Å; A527-C531 WeakPolarHBondContact O-CB 3.49Å; A527-C531 PolarHBondContact O-N 3.08Å; M528-C531 PolarHBondContact O-N 3.15Å; C531-R533 PolarHBondContact O-N 2.77Å; C531-R533 VanDerWaalsContact O-N 3.07Å; C531-S534 PolarHBondContact O-N 2.82Å; C531-S534 PolarHBondContact O-OG 3.36Å; C531-P536 WeakPolarHBondContact O-CD 3.18Å; C531-I539 HydrophobicContact CB-CD1 4.46Å
532	V	93.4	Very high	96	Very high	25 Å²	25	38 Å²	38	15%	0.152	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-61	-21.6	179.8	168.8	0	0	0	0	112.2	M528 S534 D535 I539 R562 V564	M528-V532 WeakPolarHBondContact O-CG2 3.41Å; M528-V532 PolarHBondContact O-N 2.91Å; V532-S534 PolarHBondContact O-N 3.06Å; V532-S534 VanDerWaalsContact O-N 3.14Å; V532-D535 PolarHBondContact O-N 3.05Å; V532-I539 HydrophobicContact CG2-CD1 3.96Å; V532-R562 HydrophobicContact CG1-CG 4.5Å; V532-R562 HydrophobicContact CG2-CG 4.4Å; V532-V564 HydrophobicContact CG1-CG2 4.41Å; V532-V564 HydrophobicContact CG2-CG2 4.08Å
533	R	91.8	Very high	96	Very high	197 Å²	197	36.4 Å²	36.4	74%	0.743	17%	0.172	S	C	*	.	G	3₁₀ helix	trans	-63.5	-14.4	174.4	-50.5	-178.6	-159.7	-166.1	11	114.2	D530 C531	D530-R533 WeakPolarHBondContact O-CB 3.05Å; D530-R533 VanDerWaalsContact O-CG 3.31Å; D530-R533 WeakPolarHBondContact O-CG 3.29Å; D530-R533 PolarHBondContact O-N 2.98Å; D530-R533 IonicContact OD1-CZ 3.61Å; D530-R533 IonicContact OD1-NE 3.65Å; D530-R533 IonicContact OD1-NH2 3.62Å; D530-R533 PolarHBondContact OD1-NH2 3.05Å; C531-R533 PolarHBondContact O-N 2.77Å; C531-R533 VanDerWaalsContact O-N 3.07Å
534	S	91.9	Very high	95.9	Very high	36 Å²	36	36.7 Å²	36.7	25%	0.252	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-95.2	9.4	172	70	0	0	0	0	113.8	R477 Q512 C531 V532	R477-S534 WeakPolarHBondContact CD-O 3.11Å; R477-S534 PolarHBondContact NE-O 3.45Å; R477-S534 VanDerWaalsContact NE-O 3.07Å; Q512-S534 PolarHBondContact OE1-OG 2.99Å; C531-S534 PolarHBondContact O-N 2.82Å; C531-S534 PolarHBondContact O-OG 3.36Å; V532-S534 PolarHBondContact O-N 3.06Å; V532-S534 VanDerWaalsContact O-N 3.14Å
535	D	94.6	Very high	95.7	Very high	107 Å²	107	40.9 Å²	40.9	57%	0.572	20%	0.196	S	C	*	.			trans	45.1	53.1	-176.3	-71.2	-33.2	0	0	0	114.2	R477 V532 K537	R477-D535 PolarHBondContact NE-O 2.65Å; R477-D535 PolarHBondContact NH2-O 3.03Å; V532-D535 PolarHBondContact O-N 3.05Å; D535-K537 PolarHBondContact O-N 3.01Å
536	P	96.5	Very high	95.5	Very high	5 Å²	5	47 Å²	47	3%	0.032	23%	0.228	C	C	.	.			trans	-64.8	132.3	-178	28	-35.5	0	0	0	111.6	A479 C531 L538 I539 V564	A479-P536 HydrophobicContact CB-CB 4.45Å; C531-P536 WeakPolarHBondContact O-CD 3.18Å; P536-L538 PolarHBondContact O-N 2.89Å; P536-I539 HydrophobicContact CB-CG1 4.2Å; P536-I539 HydrophobicContact CG-CD1 3.9Å; P536-I539 HydrophobicContact CG-CG1 3.72Å; P536-V564 HydrophobicContact CG-CG1 4.35Å
537	K	96.4	Very high	95.3	Very high	63 Å²	63	42.1 Å²	42.1	27%	0.274	21%	0.214	S	C	.	.	S	Bend	trans	-61.5	-24.2	174.8	-65.5	-176.9	-179	166.2	0	111.9	D473 L475 D476 R477 D535 L594	D473-K537 IonicContact OD2-NZ 2.71Å; D473-K537 PolarHBondContact OD2-NZ 3.03Å; L475-K537 HydrophobicContact CD1-CB 4.09Å; D476-K537 WeakPolarHBondContact OD1-CD 3.38Å; D476-K537 WeakPolarHBondContact OD1-CE 3.42Å; D476-K537 IonicContact OD1-NZ 3.64Å; D476-K537 PolarHBondContact OD1-NZ 3.47Å; D476-K537 IonicContact OD2-NZ 3.11Å; D476-K537 PolarHBondContact OD2-NZ 3.06Å; R477-K537 WeakPolarHBondContact O-CB 3.32Å; R477-K537 PolarHBondContact O-N 3.11Å; D535-K537 PolarHBondContact O-N 3.01Å; K537-L594 HydrophobicContact CB-CD2 3.93Å
538	L	98.1	Very high	94.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.236	C	C	.	.			trans	-158.1	150.6	174.7	-173.1	136.8	0	0	0	111.6	L475 W478 A479 P536 L540 P565 Q567 L590 K593 L594	L475-L538 HydrophobicContact CD1-CB 4.24Å; W478-L538 WeakPolarHBondContact CA-O 3.47Å; W478-L538 WeakPolarHBondContact CB-O 3.48Å; W478-L538 HydrophobicContact CE3-CD2 4.19Å; A479-L538 PolarHBondContact N-O 3.17Å; A479-L538 VanDerWaalsContact N-O 3.12Å; P536-L538 PolarHBondContact O-N 2.89Å; L538-L540 HydrophobicContact CD2-CB 4.41Å; L538-P565 WeakPolarHBondContact CA-O 3.35Å; L538-P565 HydrophobicContact CD1-CB 4.3Å; L538-Q567 HydrophobicContact CD2-CB 4.29Å; L538-L590 HydrophobicContact CD1-CD2 3.64Å; L538-L590 HydrophobicContact CD2-CD2 3.77Å; L538-L590 HydrophobicContact CG-CD2 4.38Å; L538-K593 HydrophobicContact CD1-CB 3.91Å; L538-K593 HydrophobicContact CD1-CD 4.34Å; L538-L594 HydrophobicContact CB-CD2 4.37Å
539	I	98.5	Very high	94.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	133	169.7	-59.1	170.9	0	0	0	110.2	A479 I481 C531 V532 P536 V564 P565 T566 Q567	A479-I539 CarbonylContact O-C 3.49Å; A479-I539 WeakPolarHBondContact O-CA 3.12Å; I481-I539 HydrophobicContact CD1-CG2 3.75Å; I481-I539 HydrophobicContact CG1-CG2 4.09Å; C531-I539 HydrophobicContact CB-CD1 4.46Å; V532-I539 HydrophobicContact CG2-CD1 3.96Å; P536-I539 HydrophobicContact CB-CG1 4.2Å; P536-I539 HydrophobicContact CG-CD1 3.9Å; P536-I539 HydrophobicContact CG-CG1 3.72Å; I539-V564 HydrophobicContact CD1-CG1 3.87Å; I539-V564 HydrophobicContact CG1-CG1 3.86Å; I539-P565 PolarHBondContact N-O 2.86Å; I539-T566 HydrophobicContact CB-CG2 4.35Å; I539-T566 CarbonylContact O-C 3.57Å; I539-T566 VanDerWaalsContact O-CA 3.24Å; I539-T566 WeakPolarHBondContact O-CA 3.46Å; I539-Q567 PolarHBondContact O-N 2.78Å
540	L	98.6	Very high	94.8	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	121.9	175.2	-175	155.7	0	0	0	111.2	W478 A479 V480 I481 L493 L538 Q567 V569	W478-L540 HydrophobicContact CZ3-CB 4Å; W478-L540 HydrophobicContact CZ3-CD1 4.24Å; A479-L540 PolarHBondContact O-N 2.8Å; V480-L540 CarbonylContact C-O 3.6Å; V480-L540 VanDerWaalsContact CA-O 3.29Å; V480-L540 WeakPolarHBondContact CA-O 3.34Å; V480-L540 HydrophobicContact CG2-CB 4.29Å; I481-L540 PolarHBondContact N-O 2.79Å; L493-L540 HydrophobicContact CD2-CD2 4.42Å; L538-L540 HydrophobicContact CD2-CB 4.41Å; L540-Q567 WeakPolarHBondContact CA-O 3.27Å; L540-Q567 HydrophobicContact CB-CB 4.16Å; L540-Q567 HydrophobicContact CD1-CB 4.2Å; L540-Q567 HydrophobicContact CD1-CG 4.02Å; L540-Q567 HydrophobicContact CG-CB 3.99Å; L540-Q567 HydrophobicContact CG-CG 4.12Å; L540-V569 HydrophobicContact CD1-CG2 4.34Å; L540-V569 HydrophobicContact CD2-CG2 4.37Å; L540-V569 HydrophobicContact CG-CG2 4.41Å
541	C	98.4	Very high	94.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	120.4	177.5	-56	0	0	0	0	111.3	I481 Y524 V543 I554 Q567 V568 V569	I481-C541 WeakPolarHBondContact O-CA 3.36Å; Y524-C541 HydrophobicContact CD1-CB 4.25Å; Y524-C541 HydrophobicContact CE1-CB 4.28Å; C541-V543 HydrophobicContact CB-CG1 4.5Å; C541-I554 HydrophobicContact CB-CD1 4.1Å; C541-Q567 PolarHBondContact N-O 2.97Å; C541-V568 WeakPolarHBondContact O-CA 3.37Å; C541-V569 PolarHBondContact O-N 2.95Å
542	L	98.1	Very high	95	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	98.8	174.1	177.9	61.9	0	0	0	110.2	I481 A482 P483 N486 L490 L493 Y524 V569 T574	I481-L542 PolarHBondContact O-N 3.5Å; A482-L542 HydrophobicContact CB-CB 4.02Å; A482-L542 HydrophobicContact CB-CD2 4.35Å; P483-L542 WeakPolarHBondContact CD-O 3.47Å; N486-L542 HydrophobicContact CB-CD2 4.16Å; L490-L542 HydrophobicContact CB-CD2 3.77Å; L490-L542 HydrophobicContact CD1-CD2 4.23Å; L493-L542 HydrophobicContact CD2-CD1 4.37Å; Y524-L542 PolarHBondContact OH-O 2.65Å; Y524-L542 VanDerWaalsContact OH-O 3.11Å; L542-V569 CarbonylContact C-O 3.57Å; L542-V569 WeakPolarHBondContact CA-O 3.37Å; L542-V569 HydrophobicContact CD1-CB 4.38Å; L542-V569 HydrophobicContact CD1-CG1 4.38Å; L542-T574 HydrophobicContact CD1-CG2 3.8Å
543	V	97.1	Very high	95.2	Very high	7 Å²	7	49.6 Å²	49.6	4%	0.042	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	142.3	-175.8	-60.4	0	0	0	0	112.3	Y524 C541 I554 V568 V569 T570 L571	Y524-V543 HydrophobicContact CE1-CG1 4.12Å; C541-V543 HydrophobicContact CB-CG1 4.5Å; V543-I554 HydrophobicContact CG1-CD1 4.07Å; V543-V568 HydrophobicContact CB-CG1 4.46Å; V543-V568 HydrophobicContact CG1-CG1 3.97Å; V543-V568 HydrophobicContact CG2-CG1 3.64Å; V543-V569 PolarHBondContact N-O 2.9Å; V543-T570 HydrophobicContact CG2-CG2 4.07Å; V543-T570 CarbonylContact O-C 3.54Å; V543-T570 WeakPolarHBondContact O-CA 3.15Å; V543-L571 PolarHBondContact O-N 2.92Å
544	P	94.5	Very high	95.5	Very high	24 Å²	24	40.3 Å²	40.3	16%	0.156	22%	0.222	C	C	.	.	S	Bend	trans	-70.9	-34.8	-174.7	26.5	-34.3	0	0	0	113.7	D519	D519-P544 HydrophobicContact CB-CG 3.94Å; D519-P544 WeakPolarHBondContact OD2-CG 3.38Å
545	N	93.1	Very high	95.8	Very high	87 Å²	87	38.7 Å²	38.7	47%	0.465	21%	0.21	S	C	.	.	S	Bend	trans	-144.3	167.2	-175.7	61.1	-3.3	0	0	0	111.7	N547 R550	N545-N547 PolarHBondContact O-N 3.41Å; N545-R550 PolarHBondContact OD1-NH1 3.46Å
546	D	91.2	Very high	95.9	Very high	152 Å²	152	36.7 Å²	36.7	81%	0.813	20%	0.196	S	C	*	.			trans	-78.7	61.6	-179.9	-160.2	3.8	0	0	0	111.3
547	N	92.7	Very high	96	Very high	54 Å²	54	40.5 Å²	40.5	29%	0.289	21%	0.21	S	C	.	.			trans	-88.3	110.1	177.8	-179.9	-25.8	0	0	0	109.9	N545 E549 R550 Y551	N545-N547 PolarHBondContact O-N 3.41Å; N547-E549 PolarHBondContact O-N 3.35Å; N547-E549 WeakPolarHBondContact OD1-CA 3.33Å; N547-E549 WeakPolarHBondContact OD1-CB 3.34Å; N547-E549 PolarHBondContact OD1-N 3.35Å; N547-R550 HydrophobicContact CB-CB 4.18Å; N547-R550 PolarHBondContact O-N 3.21Å; N547-R550 PolarHBondContact OD1-N 3.01Å; N547-R550 VanDerWaalsContact OD1-N 3.16Å; N547-Y551 WeakPolarHBondContact O-CB 3.36Å; N547-Y551 PolarHBondContact O-N 3.08Å
548	A	89.8	Confident	96	Very high	63 Å²	63	37.6 Å²	37.6	52%	0.521	20%	0.198	S	C	.	.	H	α-helix	trans	-63.7	-31.9	-179.5	0	0	0	0	0	114.2	S552	A548-S552 VanDerWaalsContact O-CB 3.24Å; A548-S552 WeakPolarHBondContact O-CB 3.17Å; A548-S552 PolarHBondContact O-N 3.29Å; A548-S552 PolarHBondContact O-OG 3.42Å
549	E	91.7	Very high	95.9	Very high	117 Å²	117	37.6 Å²	37.6	55%	0.547	20%	0.198	S	C	.	.	H	α-helix	trans	-69.2	-47.5	177.6	-176.9	-137.8	112.7	0	0	110.8	T521 N547 S552 S553	T521-E549 WeakPolarHBondContact CB-OE1 3.43Å; T521-E549 PolarHBondContact OG1-OE1 2.76Å; N547-E549 PolarHBondContact O-N 3.35Å; N547-E549 WeakPolarHBondContact OD1-CA 3.33Å; N547-E549 WeakPolarHBondContact OD1-CB 3.34Å; N547-E549 PolarHBondContact OD1-N 3.35Å; E549-S552 PolarHBondContact O-N 2.99Å; E549-S553 WeakPolarHBondContact O-CB 3.05Å; E549-S553 PolarHBondContact O-N 3.32Å; E549-S553 PolarHBondContact O-OG 3.06Å
550	R	96.1	Very high	95.9	Very high	11 Å²	11	38.8 Å²	38.8	4%	0.042	21%	0.205	C	C	.	.	H	α-helix	trans	-61.1	-46.4	175.5	-168.1	-165.5	-69.1	115.5	-6.2	110.8	D519 Y524 N545 N547 S552 S553 I554	D519-R550 PolarHBondContact O-NE 3.46Å; D519-R550 PolarHBondContact O-NH2 3.48Å; D519-R550 IonicContact OD1-NH2 2.7Å; D519-R550 IonicContact OD2-NH2 3.37Å; Y524-R550 HydrophobicContact CD2-CG 4.26Å; N545-R550 PolarHBondContact OD1-NH1 3.46Å; N547-R550 HydrophobicContact CB-CB 4.18Å; N547-R550 PolarHBondContact O-N 3.21Å; N547-R550 PolarHBondContact OD1-N 3.01Å; N547-R550 VanDerWaalsContact OD1-N 3.16Å; R550-S552 PolarHBondContact O-N 3.06Å; R550-S553 PolarHBondContact O-N 3.19Å; R550-I554 HydrophobicContact CG-CD1 4.05Å; R550-I554 WeakPolarHBondContact O-CG1 3.44Å; R550-I554 PolarHBondContact O-N 2.9Å
551	Y	97.1	Very high	95.7	Very high	61 Å²	61	41 Å²	41	24%	0.239	22%	0.217	C	C	.	.	H	α-helix	trans	-58.4	-47.4	176	175.1	-93	0	0	0	112	N547 S553 I554 K555 V568 L823 N827	N547-Y551 WeakPolarHBondContact O-CB 3.36Å; N547-Y551 PolarHBondContact O-N 3.08Å; Y551-S553 VanDerWaalsContact C-N 3.35Å; Y551-S553 PolarHBondContact O-N 2.84Å; Y551-I554 PolarHBondContact O-N 2.93Å; Y551-K555 HydrophobicContact CD1-CG 4.21Å; Y551-K555 HydrophobicContact CD2-CG 4.41Å; Y551-K555 HydrophobicContact CE1-CG 3.83Å; Y551-K555 HydrophobicContact CE2-CD 4.46Å; Y551-K555 HydrophobicContact CE2-CG 4.06Å; Y551-K555 HydrophobicContact CG-CG 4.49Å; Y551-K555 WeakPolarHBondContact O-CB 3.03Å; Y551-K555 VanDerWaalsContact O-CG 3.25Å; Y551-K555 WeakPolarHBondContact O-CG 3.36Å; Y551-K555 PolarHBondContact O-N 2.97Å; Y551-V568 HydrophobicContact CD2-CB 4.27Å; Y551-V568 HydrophobicContact CD2-CG1 4.25Å; Y551-V568 HydrophobicContact CD2-CG2 4.08Å; Y551-V568 HydrophobicContact CE2-CB 4.34Å; Y551-V568 HydrophobicContact CE2-CG2 4.18Å; Y551-L823 HydrophobicContact CE1-CD1 4.2Å; Y551-N827 HydrophobicContact CE1-CB 4.36Å
552	S	96.3	Very high	95.5	Very high	21 Å²	21	45.9 Å²	45.9	15%	0.147	24%	0.235	C	C	.	.	H	α-helix	trans	-63.8	-40.9	-179.1	-58.2	0	0	0	0	111.8	A548 E549 R550 K555 K556 N827	A548-S552 VanDerWaalsContact O-CB 3.24Å; A548-S552 WeakPolarHBondContact O-CB 3.17Å; A548-S552 PolarHBondContact O-N 3.29Å; A548-S552 PolarHBondContact O-OG 3.42Å; E549-S552 PolarHBondContact O-N 2.99Å; R550-S552 PolarHBondContact O-N 3.06Å; S552-K555 PolarHBondContact O-N 2.88Å; S552-K556 WeakPolarHBondContact O-CB 3.24Å; S552-K556 PolarHBondContact O-N 2.73Å; S552-N827 WeakPolarHBondContact CB-O 3.47Å; S552-N827 PolarHBondContact OG-ND2 2.84Å
553	S	97.5	Very high	95.4	Very high	36 Å²	36	47.3 Å²	47.3	25%	0.252	25%	0.247	S	C	.	.	H	α-helix	trans	-65.6	-45.9	177.7	-59.4	0	0	0	0	112.7	T521 E549 R550 Y551 K555 K556 R557	T521-S553 VanDerWaalsContact CG2-OG 3.31Å; T521-S553 WeakPolarHBondContact CG2-OG 3.31Å; E549-S553 WeakPolarHBondContact O-CB 3.05Å; E549-S553 PolarHBondContact O-N 3.32Å; E549-S553 PolarHBondContact O-OG 3.06Å; R550-S553 PolarHBondContact O-N 3.19Å; Y551-S553 VanDerWaalsContact C-N 3.35Å; Y551-S553 PolarHBondContact O-N 2.84Å; S553-K555 VanDerWaalsContact C-N 3.3Å; S553-K555 PolarHBondContact O-N 2.84Å; S553-K556 PolarHBondContact O-N 2.9Å; S553-R557 PolarHBondContact O-N 2.83Å
554	I	97.9	Very high	95.4	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-57	-45.4	172.4	-72.9	168.1	0	0	0	110.4	Y524 M528 C541 V543 R550 Y551 G558 V568	Y524-I554 HydrophobicContact CD1-CD1 3.91Å; Y524-I554 HydrophobicContact CG-CD1 4.05Å; M528-I554 HydrophobicContact CE-CG2 4.5Å; M528-I554 WeakPolarHBondContact CE-O 3.37Å; M528-I554 HydrophobicContact SD-CB 4.21Å; M528-I554 HydrophobicContact SD-CG1 4.22Å; M528-I554 HydrophobicContact SD-CG2 3.86Å; C541-I554 HydrophobicContact CB-CD1 4.1Å; V543-I554 HydrophobicContact CG1-CD1 4.07Å; R550-I554 HydrophobicContact CG-CD1 4.05Å; R550-I554 WeakPolarHBondContact O-CG1 3.44Å; R550-I554 PolarHBondContact O-N 2.9Å; Y551-I554 PolarHBondContact O-N 2.93Å; I554-G558 PolarHBondContact O-N 2.75Å; I554-V568 HydrophobicContact CG2-CG2 4.11Å
555	K	97.9	Very high	95.6	Very high	3 Å²	3	46.8 Å²	46.8	1%	0.013	24%	0.243	C	C	.	.	H	α-helix	trans	-68.7	-38.2	-179.1	-71.6	-71.7	169.7	-160.5	0	112.9	Y551 S552 S553 Y559 T566 L823 L828	Y551-K555 HydrophobicContact CD1-CG 4.21Å; Y551-K555 HydrophobicContact CD2-CG 4.41Å; Y551-K555 HydrophobicContact CE1-CG 3.83Å; Y551-K555 HydrophobicContact CE2-CD 4.46Å; Y551-K555 HydrophobicContact CE2-CG 4.06Å; Y551-K555 HydrophobicContact CG-CG 4.49Å; Y551-K555 WeakPolarHBondContact O-CB 3.03Å; Y551-K555 VanDerWaalsContact O-CG 3.25Å; Y551-K555 WeakPolarHBondContact O-CG 3.36Å; Y551-K555 PolarHBondContact O-N 2.97Å; S552-K555 PolarHBondContact O-N 2.88Å; S553-K555 VanDerWaalsContact C-N 3.3Å; S553-K555 PolarHBondContact O-N 2.84Å; K555-Y559 HydrophobicContact CD-CD2 4.17Å; K555-Y559 HydrophobicContact CD-CE2 3.55Å; K555-Y559 PolarHBondContact NZ-OH 3.05Å; K555-Y559 WeakPolarHBondContact O-CB 3.16Å; K555-Y559 PolarHBondContact O-N 2.86Å; K555-Y559 VanDerWaalsContact O-N 3.08Å; K555-T566 PolarHBondContact NZ-O 3.36Å; K555-T566 PolarHBondContact NZ-OG1 2.66Å; K555-L823 HydrophobicContact CG-CD1 4.46Å; K555-L828 HydrophobicContact CB-CD2 3.73Å; K555-L828 WeakPolarHBondContact O-CD2 3.49Å
556	K	96.8	Very high	95.8	Very high	64 Å²	64	42.6 Å²	42.6	28%	0.278	22%	0.221	S	C	.	.	H	α-helix	trans	-65.8	-48.6	176.3	-169.7	174.3	178.1	166	0	111.6	S552 S553 G558 Y559 V560 D561 L828 S830	S552-K556 WeakPolarHBondContact O-CB 3.24Å; S552-K556 PolarHBondContact O-N 2.73Å; S553-K556 PolarHBondContact O-N 2.9Å; K556-G558 VanDerWaalsContact C-N 3.34Å; K556-G558 PolarHBondContact O-N 3.48Å; K556-Y559 PolarHBondContact O-N 2.96Å; K556-V560 HydrophobicContact CG-CB 3.97Å; K556-V560 HydrophobicContact CG-CG2 4.12Å; K556-V560 WeakPolarHBondContact O-CB 3.34Å; K556-V560 PolarHBondContact O-N 3.14Å; K556-D561 PolarHBondContact O-N 2.89Å; K556-L828 HydrophobicContact CB-CD2 4.38Å; K556-S830 PolarHBondContact NZ-OG 2.96Å
557	R	97.3	Very high	96.2	Very high	86 Å²	86	35.7 Å²	35.7	33%	0.325	18%	0.184	S	C	.	.	H	α-helix	trans	-59.4	-43.8	176.4	-74.1	-73.3	-177.1	-86	0.8	112.3	V525 M528 D529 S553 D561 R562	V525-R557 HydrophobicContact CG1-CG 3.93Å; V525-R557 HydrophobicContact CG2-CG 4.07Å; M528-R557 HydrophobicContact CE-CB 4.19Å; D529-R557 IonicContact OD2-NE 2.75Å; S553-R557 PolarHBondContact O-N 2.83Å; R557-D561 VanDerWaalsContact CA-OD2 3.28Å; R557-D561 WeakPolarHBondContact CA-OD2 3.19Å; R557-D561 WeakPolarHBondContact CD-OD2 3.4Å; R557-D561 IonicContact CZ-OD2 3.69Å; R557-D561 PolarHBondContact N-OD2 2.93Å; R557-D561 IonicContact NE-OD2 3.97Å; R557-D561 IonicContact NH1-OD1 3.45Å; R557-D561 IonicContact NH1-OD2 2.71Å; R557-D561 PolarHBondContact NH1-OD2 2.87Å; R557-R562 VanDerWaalsContact O-CB 3.27Å; R557-R562 WeakPolarHBondContact O-CB 3.26Å; R557-R562 WeakPolarHBondContact O-CG 3.34Å; R557-R562 PolarHBondContact O-N 3.15Å; R557-R562 VanDerWaalsContact O-N 3.14Å
558	G	96.7	Very high	96.4	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-66.8	-36.6	179.2	0	0	0	0	0	115	I554 K556 R562 V564	I554-G558 PolarHBondContact O-N 2.75Å; K556-G558 VanDerWaalsContact C-N 3.34Å; K556-G558 PolarHBondContact O-N 3.48Å; G558-R562 CarbonylContact C-O 3.58Å; G558-R562 CarbonylContact O-C 3.59Å; G558-R562 VanDerWaalsContact O-C 3.23Å; G558-V564 PolarHBondContact O-N 3Å
559	Y	97.8	Very high	96.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-117.7	-18.5	-164.3	-58	-15.1	0	0	0	116.2	K555 K556 R562 V564 T566 L823 L828 P832 Q833 L836 Y841	K555-Y559 HydrophobicContact CD-CD2 4.17Å; K555-Y559 HydrophobicContact CD-CE2 3.55Å; K555-Y559 PolarHBondContact NZ-OH 3.05Å; K555-Y559 WeakPolarHBondContact O-CB 3.16Å; K555-Y559 PolarHBondContact O-N 2.86Å; K555-Y559 VanDerWaalsContact O-N 3.08Å; K556-Y559 PolarHBondContact O-N 2.96Å; Y559-R562 CarbonylContact C-O 3.6Å; Y559-R562 WeakPolarHBondContact CA-O 3.33Å; Y559-V564 WeakPolarHBondContact CD1-O 3.4Å; Y559-V564 VanDerWaalsContact CE1-O 3.28Å; Y559-V564 WeakPolarHBondContact CE1-O 3.26Å; Y559-T566 HydrophobicContact CE1-CG2 4.28Å; Y559-T566 VanDerWaalsContact CE1-OG1 3.29Å; Y559-T566 WeakPolarHBondContact CE1-OG1 3.47Å; Y559-T566 VanDerWaalsContact CZ-OG1 3.29Å; Y559-T566 PolarHBondContact OH-N 3Å; Y559-T566 PolarHBondContact OH-O 3.07Å; Y559-T566 PolarHBondContact OH-OG1 2.93Å; Y559-L823 HydrophobicContact CD2-CD2 4.24Å; Y559-L823 HydrophobicContact CE2-CD2 4.06Å; Y559-L828 HydrophobicContact CD2-CD1 4.42Å; Y559-P832 CarbonylContact O-C 3.36Å; Y559-P832 VanDerWaalsContact O-CA 3.23Å; Y559-P832 WeakPolarHBondContact O-CA 3.47Å; Y559-Q833 PolarHBondContact O-N 3.46Å; Y559-L836 HydrophobicContact CD1-CD1 3.93Å; Y559-L836 HydrophobicContact CG-CD1 4.18Å; Y559-Y841 HydrophobicContact CD1-CD2 4.39Å; Y559-Y841 AromaticContact CD2-CD2 3.69Å; Y559-Y841 HydrophobicContact CD2-CD2 3.69Å; Y559-Y841 HydrophobicContact CD2-CE2 4.26Å; Y559-Y841 AromaticContact CE2-CD2 3.79Å; Y559-Y841 HydrophobicContact CE2-CD2 3.79Å; Y559-Y841 WeakPolarHBondContact CE2-O 3.4Å; Y559-Y841 HydrophobicContact CG-CD2 4Å; Y559-Y841 VanDerWaalsContact CZ-O 3.23Å; Y559-Y841 PolarHBondContact OH-O 3.49Å
560	V	96.8	Very high	97.1	Very high	26 Å²	26	28.1 Å²	28.1	16%	0.158	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-49.9	-178.9	-179.8	0	0	0	0	109.7	K556 R562 L828 Q833	K556-V560 HydrophobicContact CG-CB 3.97Å; K556-V560 HydrophobicContact CG-CG2 4.12Å; K556-V560 WeakPolarHBondContact O-CB 3.34Å; K556-V560 PolarHBondContact O-N 3.14Å; V560-R562 VanDerWaalsContact C-N 3.35Å; V560-R562 PolarHBondContact N-O 2.87Å; V560-L828 HydrophobicContact CG2-CB 4.16Å; V560-L828 HydrophobicContact CG2-CD1 4.38Å; V560-L828 HydrophobicContact CG2-CD2 4.34Å; V560-Q833 WeakPolarHBondContact O-CG 3.47Å; V560-Q833 PolarHBondContact O-NE2 2.99Å
561	D	94.8	Very high	97	Very high	47 Å²	47	29 Å²	29	25%	0.251	15%	0.146	S	C	.	.	S	Bend	trans	-81.7	-19.7	-179.7	-43.9	-56.9	0	0	0	111.8	K556 R557 Q833	K556-D561 PolarHBondContact O-N 2.89Å; R557-D561 VanDerWaalsContact CA-OD2 3.28Å; R557-D561 WeakPolarHBondContact CA-OD2 3.19Å; R557-D561 WeakPolarHBondContact CD-OD2 3.4Å; R557-D561 IonicContact CZ-OD2 3.69Å; R557-D561 PolarHBondContact N-OD2 2.93Å; R557-D561 IonicContact NE-OD2 3.97Å; R557-D561 IonicContact NH1-OD1 3.45Å; R557-D561 IonicContact NH1-OD2 2.71Å; R557-D561 PolarHBondContact NH1-OD2 2.87Å; D561-Q833 PolarHBondContact O-NE2 2.91Å
562	R	93.9	Very high	96.9	Very high	103 Å²	103	34.7 Å²	34.7	39%	0.389	17%	0.172	S	C	.	.	S	Bend	trans	-139.8	178.3	175	-47.1	-67.5	168.9	-126.8	8.7	109.7	D529 V532 R557 G558 Y559 V560	D529-R562 IonicContact OD1-CZ 2.98Å; D529-R562 VanDerWaalsContact OD1-CZ 3.22Å; D529-R562 IonicContact OD1-NE 3.07Å; D529-R562 PolarHBondContact OD1-NE 2.95Å; D529-R562 IonicContact OD1-NH2 3.67Å; D529-R562 PolarHBondContact OD1-NH2 3.02Å; V532-R562 HydrophobicContact CG1-CG 4.5Å; V532-R562 HydrophobicContact CG2-CG 4.4Å; R557-R562 VanDerWaalsContact O-CB 3.27Å; R557-R562 WeakPolarHBondContact O-CB 3.26Å; R557-R562 WeakPolarHBondContact O-CG 3.34Å; R557-R562 PolarHBondContact O-N 3.15Å; R557-R562 VanDerWaalsContact O-N 3.14Å; G558-R562 CarbonylContact C-O 3.58Å; G558-R562 CarbonylContact O-C 3.59Å; G558-R562 VanDerWaalsContact O-C 3.23Å; Y559-R562 CarbonylContact C-O 3.6Å; Y559-R562 WeakPolarHBondContact CA-O 3.33Å; V560-R562 VanDerWaalsContact C-N 3.35Å; V560-R562 PolarHBondContact N-O 2.87Å
563	A	96.6	Very high	96.8	Very high	30 Å²	30	35.2 Å²	35.2	25%	0.248	18%	0.175	C	C	.	.			trans	-121.2	41.5	177.6	0	0	0	0	0	113.6	Q833 A835 L836	A563-Q833 HydrophobicContact CB-CB 4.14Å; A563-A835 HydrophobicContact CB-CB 3.93Å; A563-L836 HydrophobicContact CB-CG 4.28Å; A563-L836 WeakPolarHBondContact O-CD2 3.37Å
564	V	97.3	Very high	96.4	Very high	16 Å²	16	34 Å²	34	10%	0.097	17%	0.165	C	C	.	.			trans	-108.3	121.8	-174.5	177.7	0	0	0	0	111.4	V532 P536 I539 G558 Y559 T566	V532-V564 HydrophobicContact CG1-CG2 4.41Å; V532-V564 HydrophobicContact CG2-CG2 4.08Å; P536-V564 HydrophobicContact CG-CG1 4.35Å; I539-V564 HydrophobicContact CD1-CG1 3.87Å; I539-V564 HydrophobicContact CG1-CG1 3.86Å; G558-V564 PolarHBondContact O-N 3Å; Y559-V564 WeakPolarHBondContact CD1-O 3.4Å; Y559-V564 VanDerWaalsContact CE1-O 3.28Å; Y559-V564 WeakPolarHBondContact CE1-O 3.26Å; V564-T566 PolarHBondContact O-N 3.17Å
565	P	97.8	Very high	96.1	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.019	20%	0.195	C	C	.	.			trans	-57.5	135.7	174.1	-24.3	34.3	0	0	0	112.4	L538 I539 K593 L836 K839	L538-P565 WeakPolarHBondContact CA-O 3.35Å; L538-P565 HydrophobicContact CD1-CB 4.3Å; I539-P565 PolarHBondContact N-O 2.86Å; P565-K593 HydrophobicContact CB-CB 4.09Å; P565-K593 WeakPolarHBondContact CG-O 3.28Å; P565-L836 HydrophobicContact CG-CD2 4.1Å; P565-K839 HydrophobicContact CG-CD 4.07Å
566	T	98.3	Very high	95.8	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	137.1	-177.9	55.6	0	0	0	0	113.1	M528 I539 K555 Y559 V564 K593	M528-T566 HydrophobicContact CE-CG2 3.86Å; I539-T566 HydrophobicContact CB-CG2 4.35Å; I539-T566 CarbonylContact O-C 3.57Å; I539-T566 VanDerWaalsContact O-CA 3.24Å; I539-T566 WeakPolarHBondContact O-CA 3.46Å; K555-T566 PolarHBondContact NZ-O 3.36Å; K555-T566 PolarHBondContact NZ-OG1 2.66Å; Y559-T566 HydrophobicContact CE1-CG2 4.28Å; Y559-T566 VanDerWaalsContact CE1-OG1 3.29Å; Y559-T566 WeakPolarHBondContact CE1-OG1 3.47Å; Y559-T566 VanDerWaalsContact CZ-OG1 3.29Å; Y559-T566 PolarHBondContact OH-N 3Å; Y559-T566 PolarHBondContact OH-O 3.07Å; Y559-T566 PolarHBondContact OH-OG1 2.93Å; V564-T566 PolarHBondContact O-N 3.17Å; T566-K593 PolarHBondContact O-NZ 3.21Å
567	Q	98.4	Very high	95.5	Very high	7 Å²	7	53.2 Å²	53.2	3%	0.033	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	143.1	166	-171.8	61.4	17.3	0	0	109.5	L538 I539 L540 C541 V569 I586 L590	L538-Q567 HydrophobicContact CD2-CB 4.29Å; I539-Q567 PolarHBondContact O-N 2.78Å; L540-Q567 WeakPolarHBondContact CA-O 3.27Å; L540-Q567 HydrophobicContact CB-CB 4.16Å; L540-Q567 HydrophobicContact CD1-CB 4.2Å; L540-Q567 HydrophobicContact CD1-CG 4.02Å; L540-Q567 HydrophobicContact CG-CB 3.99Å; L540-Q567 HydrophobicContact CG-CG 4.12Å; C541-Q567 PolarHBondContact N-O 2.97Å; Q567-V569 HydrophobicContact CG-CG2 4.14Å; Q567-I586 HydrophobicContact CG-CG2 4.25Å; Q567-L590 HydrophobicContact CB-CD2 3.79Å; Q567-L590 HydrophobicContact CG-CD2 3.95Å
568	V	98.3	Very high	95.3	Very high	29 Å²	29	52.4 Å²	52.4	18%	0.176	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	132.1	170.8	-178.1	0	0	0	0	107.4	C541 V543 Y551 I554	C541-V568 WeakPolarHBondContact O-CA 3.37Å; V543-V568 HydrophobicContact CB-CG1 4.46Å; V543-V568 HydrophobicContact CG1-CG1 3.97Å; V543-V568 HydrophobicContact CG2-CG1 3.64Å; Y551-V568 HydrophobicContact CD2-CB 4.27Å; Y551-V568 HydrophobicContact CD2-CG1 4.25Å; Y551-V568 HydrophobicContact CD2-CG2 4.08Å; Y551-V568 HydrophobicContact CE2-CB 4.34Å; Y551-V568 HydrophobicContact CE2-CG2 4.18Å; I554-V568 HydrophobicContact CG2-CG2 4.11Å
569	V	98.1	Very high	95.2	Very high	5 Å²	5	53.1 Å²	53.1	3%	0.03	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131.9	177	-176.1	0	0	0	0	108.2	L493 L540 C541 L542 V543 Q567 T573 T574 I586	L493-V569 HydrophobicContact CD1-CG1 4.36Å; L493-V569 HydrophobicContact CD2-CB 4.1Å; L493-V569 HydrophobicContact CD2-CG1 3.86Å; L493-V569 HydrophobicContact CD2-CG2 4.18Å; L540-V569 HydrophobicContact CD1-CG2 4.34Å; L540-V569 HydrophobicContact CD2-CG2 4.37Å; L540-V569 HydrophobicContact CG-CG2 4.41Å; C541-V569 PolarHBondContact O-N 2.95Å; L542-V569 CarbonylContact C-O 3.57Å; L542-V569 WeakPolarHBondContact CA-O 3.37Å; L542-V569 HydrophobicContact CD1-CB 4.38Å; L542-V569 HydrophobicContact CD1-CG1 4.38Å; V543-V569 PolarHBondContact N-O 2.9Å; Q567-V569 HydrophobicContact CG-CG2 4.14Å; V569-T573 HydrophobicContact CG1-CG2 4.13Å; V569-T574 HydrophobicContact CG1-CG2 4.49Å; V569-I586 HydrophobicContact CG1-CD1 4.5Å; V569-I586 HydrophobicContact CG2-CD1 4.05Å
570	T	96.8	Very high	94.9	Very high	40 Å²	40	57.1 Å²	57.1	25%	0.245	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	143.7	176.2	57.3	0	0	0	0	110.5	V543 K572 T573	V543-T570 HydrophobicContact CG2-CG2 4.07Å; V543-T570 CarbonylContact O-C 3.54Å; V543-T570 WeakPolarHBondContact O-CA 3.15Å; T570-K572 PolarHBondContact O-N 2.84Å; T570-K572 VanDerWaalsContact O-N 3.15Å; T570-T573 WeakPolarHBondContact O-CA 3.43Å; T570-T573 WeakPolarHBondContact O-CB 3.26Å; T570-T573 PolarHBondContact O-N 3.41Å; T570-T573 PolarHBondContact O-OG1 3.37Å; T570-T573 PolarHBondContact OG1-OG1 3.06Å
571	L	95.1	Very high	94.7	Very high	30 Å²	30	58.1 Å²	58.1	16%	0.157	28%	0.284	C	S	.	.	H	α-helix	trans	-57.1	-31.7	179.8	-173.7	65.9	0	0	0	113.1	N486 E489 V543 T573 T574	N486-L571 HydrophobicContact CB-CD1 4.36Å; E489-L571 HydrophobicContact CB-CD1 3.7Å; E489-L571 HydrophobicContact CG-CD1 3.7Å; V543-L571 PolarHBondContact O-N 2.92Å; L571-T573 PolarHBondContact O-N 3.19Å; L571-T573 VanDerWaalsContact O-N 3.16Å; L571-T574 PolarHBondContact O-N 2.99Å; L571-T574 PolarHBondContact O-OG1 2.96Å
572	K	94.3	Very high	94.6	Very high	181 Å²	181	57.9 Å²	57.9	79%	0.787	28%	0.283	S	S	*	.	H	α-helix	trans	-59.5	-24.4	172.3	-174.5	172.7	-179.3	175.9	0	113.3	T570	T570-K572 PolarHBondContact O-N 2.84Å; T570-K572 VanDerWaalsContact O-N 3.15Å
573	T	93.9	Very high	94.7	Very high	32 Å²	32	53 Å²	53	20%	0.196	26%	0.264	C	S	.	.	H	α-helix	trans	-74.9	-38.8	178.4	-54.7	0	0	0	0	111.9	V569 T570 L571 K575 N576 I582	V569-T573 HydrophobicContact CG1-CG2 4.13Å; T570-T573 WeakPolarHBondContact O-CA 3.43Å; T570-T573 WeakPolarHBondContact O-CB 3.26Å; T570-T573 PolarHBondContact O-N 3.41Å; T570-T573 PolarHBondContact O-OG1 3.37Å; T570-T573 PolarHBondContact OG1-OG1 3.06Å; L571-T573 PolarHBondContact O-N 3.19Å; L571-T573 VanDerWaalsContact O-N 3.16Å; T573-K575 VanDerWaalsContact C-N 3.34Å; T573-K575 PolarHBondContact O-N 2.91Å; T573-N576 VanDerWaalsContact O-CB 3.23Å; T573-N576 WeakPolarHBondContact O-CB 3.36Å; T573-N576 PolarHBondContact O-N 3.3Å; T573-I582 HydrophobicContact CG2-CD1 4.24Å; T573-I582 HydrophobicContact CG2-CG2 3.62Å
574	T	90.8	Very high	94.6	Very high	9 Å²	9	53.1 Å²	53.1	6%	0.055	26%	0.262	C	S	.	.	H	α-helix	trans	-68.7	-34.3	-179.1	66	0	0	0	0	111.7	E489 L493 L542 V569 L571 N576	E489-T574 HydrophobicContact CB-CG2 4.47Å; E489-T574 WeakPolarHBondContact CB-OG1 3.34Å; L493-T574 HydrophobicContact CB-CG2 3.89Å; L493-T574 HydrophobicContact CD1-CG2 4.43Å; L493-T574 HydrophobicContact CD2-CG2 4.02Å; L493-T574 HydrophobicContact CG-CG2 4.33Å; L542-T574 HydrophobicContact CD1-CG2 3.8Å; V569-T574 HydrophobicContact CG1-CG2 4.49Å; L571-T574 PolarHBondContact O-N 2.99Å; L571-T574 PolarHBondContact O-OG1 2.96Å; T574-N576 PolarHBondContact O-N 2.81Å
575	K	90.2	Very high	94.5	Very high	143 Å²	143	55.9 Å²	55.9	62%	0.622	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	17.5	178.1	-52.5	-164.8	-179.7	-162.5	0	114.2	E489 T573	E489-K575 HydrophobicContact CG-CG 4.41Å; E489-K575 WeakPolarHBondContact OE1-CE 3.47Å; E489-K575 IonicContact OE1-NZ 2.76Å; E489-K575 PolarHBondContact OE1-NZ 2.87Å; T573-K575 VanDerWaalsContact C-N 3.34Å; T573-K575 PolarHBondContact O-N 2.91Å
576	N	92.8	Very high	94.5	Very high	73 Å²	73	56.2 Å²	56.2	39%	0.39	27%	0.274	S	S	.	.			trans	-92.9	128.6	-176.3	-169.7	-42.1	0	0	0	111.6	T573 T574 S578 L579 I582	T573-N576 VanDerWaalsContact O-CB 3.23Å; T573-N576 WeakPolarHBondContact O-CB 3.36Å; T573-N576 PolarHBondContact O-N 3.3Å; T574-N576 PolarHBondContact O-N 2.81Å; N576-S578 PolarHBondContact O-N 2.99Å; N576-S578 PolarHBondContact OD1-N 3.17Å; N576-L579 WeakPolarHBondContact O-CB 3.47Å; N576-L579 PolarHBondContact O-N 3.03Å; N576-I582 HydrophobicContact CB-CD1 3.96Å
577	R	90.4	Very high	94.4	Very high	257 Å²	257	56.2 Å²	56.2	97%	0.97	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-24.2	177.1	-65.4	-175.3	-179.9	-176.8	-0.7	114.4
578	S	92.6	Very high	94.4	Very high	69 Å²	69	56.3 Å²	56.3	48%	0.483	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	22.1	178.8	-60.5	0	0	0	0	114.1	N576 M580 S581 I582	N576-S578 PolarHBondContact O-N 2.99Å; N576-S578 PolarHBondContact OD1-N 3.17Å; S578-M580 VanDerWaalsContact C-N 3.32Å; S578-M580 PolarHBondContact O-N 3.17Å; S578-M580 VanDerWaalsContact O-N 3.15Å; S578-S581 PolarHBondContact O-N 3.47Å; S578-S581 PolarHBondContact O-OG 2.94Å; S578-I582 PolarHBondContact O-N 2.78Å
579	L	93.4	Very high	94.4	Very high	15 Å²	15	56.1 Å²	56.1	8%	0.079	27%	0.272	C	S	.	.	H	α-helix	trans	-46.9	-46.6	-171.1	-178.3	58.5	0	0	0	114	T492 L493 S496 N576 S581 I582 A583	T492-L579 HydrophobicContact CG2-CD2 3.93Å; L493-L579 HydrophobicContact CD1-CD1 4.18Å; S496-L579 VanDerWaalsContact OG-CD2 3.23Å; S496-L579 WeakPolarHBondContact OG-CD2 3.38Å; N576-L579 WeakPolarHBondContact O-CB 3.47Å; N576-L579 PolarHBondContact O-N 3.03Å; L579-S581 VanDerWaalsContact C-N 3.29Å; L579-S581 PolarHBondContact O-N 3.46Å; L579-I582 CarbonylContact O-C 3.52Å; L579-I582 WeakPolarHBondContact O-CA 3.24Å; L579-I582 WeakPolarHBondContact O-CB 3.5Å; L579-I582 PolarHBondContact O-N 3.48Å; L579-A583 WeakPolarHBondContact O-CB 3.11Å; L579-A583 PolarHBondContact O-N 2.99Å
580	M	92.1	Very high	94.4	Very high	84 Å²	84	55.9 Å²	55.9	41%	0.414	27%	0.27	S	S	.	.	H	α-helix	trans	-52.9	-43.5	178.1	-75.8	-59	-59.2	0	0	113	R499 A500 S578 I582 A583 T584	R499-M580 HydrophobicContact CB-CE 3.85Å; R499-M580 HydrophobicContact CB-SD 4.47Å; A500-M580 HydrophobicContact CB-CE 4.14Å; S578-M580 VanDerWaalsContact C-N 3.32Å; S578-M580 PolarHBondContact O-N 3.17Å; S578-M580 VanDerWaalsContact O-N 3.15Å; M580-I582 PolarHBondContact O-N 3.26Å; M580-A583 PolarHBondContact O-N 3.33Å; M580-T584 PolarHBondContact O-N 2.89Å; M580-T584 PolarHBondContact O-OG1 2.74Å
581	S	92.1	Very high	94.4	Very high	47 Å²	47	54 Å²	54	33%	0.329	26%	0.259	S	S	.	.	H	α-helix	trans	-69.2	-22	178.8	74	0	0	0	0	113.8	S578 L579	S578-S581 PolarHBondContact O-N 3.47Å; S578-S581 PolarHBondContact O-OG 2.94Å; L579-S581 VanDerWaalsContact C-N 3.29Å; L579-S581 PolarHBondContact O-N 3.46Å
582	I	94.5	Very high	94.5	Very high	42 Å²	42	52.5 Å²	52.5	22%	0.215	25%	0.251	C	S	.	.	H	α-helix	trans	-86.1	-40.6	175.7	-54.5	168.5	0	0	0	109.4	T573 N576 S578 L579 M580 T584 K585 I586	T573-I582 HydrophobicContact CG2-CD1 4.24Å; T573-I582 HydrophobicContact CG2-CG2 3.62Å; N576-I582 HydrophobicContact CB-CD1 3.96Å; S578-I582 PolarHBondContact O-N 2.78Å; L579-I582 CarbonylContact O-C 3.52Å; L579-I582 WeakPolarHBondContact O-CA 3.24Å; L579-I582 WeakPolarHBondContact O-CB 3.5Å; L579-I582 PolarHBondContact O-N 3.48Å; M580-I582 PolarHBondContact O-N 3.26Å; I582-T584 VanDerWaalsContact C-N 3.3Å; I582-T584 PolarHBondContact O-N 2.94Å; I582-K585 CarbonylContact O-C 3.52Å; I582-K585 WeakPolarHBondContact O-CA 3.32Å; I582-K585 PolarHBondContact O-N 2.91Å; I582-I586 HydrophobicContact CG2-CD1 4.1Å; I582-I586 HydrophobicContact CG2-CG1 4.46Å; I582-I586 WeakPolarHBondContact O-CG1 3.36Å; I582-I586 PolarHBondContact O-N 3.14Å
583	A	95.1	Very high	94.7	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58.7	-39.2	172.7	0	0	0	0	0	111.8	S496 A500 L579 M580 K585 I586 A587	S496-A583 WeakPolarHBondContact O-CB 3.41Å; A500-A583 HydrophobicContact CB-CB 4.07Å; L579-A583 WeakPolarHBondContact O-CB 3.11Å; L579-A583 PolarHBondContact O-N 2.99Å; M580-A583 PolarHBondContact O-N 3.33Å; A583-K585 PolarHBondContact O-N 2.77Å; A583-I586 PolarHBondContact O-N 2.83Å; A583-A587 WeakPolarHBondContact O-CB 3.44Å; A583-A587 PolarHBondContact O-N 3.41Å
584	T	94.6	Very high	94.8	Very high	33 Å²	33	43.4 Å²	43.4	20%	0.202	21%	0.21	C	C	.	.	H	α-helix	trans	-55	-49.5	168.6	-49.7	0	0	0	0	111.5	F462 M504 M580 I582 I586 A587 I588	F462-T584 HydrophobicContact CB-CG2 4.26Å; M504-T584 HydrophobicContact CE-CG2 3.98Å; M504-T584 WeakPolarHBondContact CE-O 3.44Å; M504-T584 HydrophobicContact SD-CG2 3.57Å; M504-T584 VanDerWaalsContact SD-CG2 3.57Å; M580-T584 PolarHBondContact O-N 2.89Å; M580-T584 PolarHBondContact O-OG1 2.74Å; I582-T584 VanDerWaalsContact C-N 3.3Å; I582-T584 PolarHBondContact O-N 2.94Å; T584-I586 PolarHBondContact O-N 3.02Å; T584-A587 PolarHBondContact O-N 2.71Å; T584-I588 HydrophobicContact CG2-CD1 4.32Å; T584-I588 WeakPolarHBondContact O-CG1 3.41Å; T584-I588 PolarHBondContact O-N 3.36Å
585	K	95.6	Very high	95	Very high	75 Å²	75	43.8 Å²	43.8	33%	0.326	22%	0.215	S	C	.	.	H	α-helix	trans	-67.5	-35.2	179.6	-67.7	-177.9	-178.6	-172	0	112.8	I582 A583 Q589	I582-K585 CarbonylContact O-C 3.52Å; I582-K585 WeakPolarHBondContact O-CA 3.32Å; I582-K585 PolarHBondContact O-N 2.91Å; A583-K585 PolarHBondContact O-N 2.77Å; K585-Q589 WeakPolarHBondContact O-CB 3.38Å; K585-Q589 PolarHBondContact O-N 2.81Å
586	I	97.2	Very high	95.3	Very high	10 Å²	10	40.9 Å²	40.9	5%	0.051	20%	0.201	C	C	.	.	H	α-helix	trans	-63.5	-49.4	172.5	-67	166.7	0	0	0	109.5	L493 L497 Q567 V569 I582 A583 T584 I588 Q589 L590	L493-I586 HydrophobicContact CD1-CD1 4.24Å; L497-I586 HydrophobicContact CD1-CB 4.19Å; L497-I586 HydrophobicContact CD1-CG2 3.79Å; Q567-I586 HydrophobicContact CG-CG2 4.25Å; V569-I586 HydrophobicContact CG1-CD1 4.5Å; V569-I586 HydrophobicContact CG2-CD1 4.05Å; I582-I586 HydrophobicContact CG2-CD1 4.1Å; I582-I586 HydrophobicContact CG2-CG1 4.46Å; I582-I586 WeakPolarHBondContact O-CG1 3.36Å; I582-I586 PolarHBondContact O-N 3.14Å; A583-I586 PolarHBondContact O-N 2.83Å; T584-I586 PolarHBondContact O-N 3.02Å; I586-I588 VanDerWaalsContact C-N 3.35Å; I586-I588 PolarHBondContact O-N 2.86Å; I586-Q589 CarbonylContact O-C 3.09Å; I586-Q589 WeakPolarHBondContact O-CA 3.32Å; I586-Q589 WeakPolarHBondContact O-CB 3Å; I586-Q589 PolarHBondContact O-N 2.9Å; I586-L590 HydrophobicContact CG2-CD1 4.43Å; I586-L590 HydrophobicContact CG2-CD2 4.43Å; I586-L590 HydrophobicContact CG2-CG 4.19Å; I586-L590 WeakPolarHBondContact O-CG 3.35Å; I586-L590 PolarHBondContact O-N 3.07Å
587	A	96.8	Very high	95.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.9	-38.6	178.9	0	0	0	0	0	113.2	L497 A501 M504 A583 T584 L590 N591	L497-A587 HydrophobicContact CD1-CB 3.94Å; A501-A587 HydrophobicContact CB-CB 3.81Å; M504-A587 HydrophobicContact CE-CB 3.46Å; M504-A587 VanDerWaalsContact CE-CB 3.46Å; A583-A587 WeakPolarHBondContact O-CB 3.44Å; A583-A587 PolarHBondContact O-N 3.41Å; T584-A587 PolarHBondContact O-N 2.71Å; A587-L590 PolarHBondContact O-N 3.32Å; A587-N591 PolarHBondContact O-N 2.83Å
588	I	97.1	Very high	95.8	Very high	8 Å²	8	25.2 Å²	25.2	4%	0.041	14%	0.137	C	C	.	.	H	α-helix	trans	-57.7	-47.7	168.9	-69.2	168.4	0	0	0	110.5	F462 M467 M504 T584 I586 L590 N591 C592 P598 W599 Y802	F462-I588 HydrophobicContact CD1-CD1 3.7Å; F462-I588 HydrophobicContact CD1-CG1 4.41Å; F462-I588 HydrophobicContact CE1-CD1 3.79Å; F462-I588 HydrophobicContact CE1-CG1 4.48Å; F462-I588 HydrophobicContact CG-CD1 4.15Å; F462-I588 HydrophobicContact CZ-CD1 4.32Å; M467-I588 HydrophobicContact SD-CB 4.49Å; M467-I588 HydrophobicContact SD-CG1 4.04Å; M504-I588 HydrophobicContact CE-CG1 3.91Å; M504-I588 HydrophobicContact SD-CD1 3.98Å; M504-I588 HydrophobicContact SD-CG1 3.65Å; T584-I588 HydrophobicContact CG2-CD1 4.32Å; T584-I588 WeakPolarHBondContact O-CG1 3.41Å; T584-I588 PolarHBondContact O-N 3.36Å; I586-I588 VanDerWaalsContact C-N 3.35Å; I586-I588 PolarHBondContact O-N 2.86Å; I588-L590 VanDerWaalsContact C-N 3.35Å; I588-L590 PolarHBondContact O-N 3.41Å; I588-N591 PolarHBondContact O-N 2.98Å; I588-C592 PolarHBondContact O-N 3.36Å; I588-C592 VanDerWaalsContact O-N 3.11Å; I588-C592 PolarHBondContact O-SG 3.01Å; I588-P598 HydrophobicContact CG2-CB 3.99Å; I588-P598 HydrophobicContact CG2-CG 3.78Å; I588-W599 HydrophobicContact CG2-CZ3 4.19Å; I588-Y802 WeakPolarHBondContact CG2-O 3.27Å
589	Q	98.1	Very high	96	Very high	25 Å²	25	22 Å²	22	12%	0.117	11%	0.114	C	C	.	.	H	α-helix	trans	-64.7	-34.1	178	-168.9	-179.3	21.4	0	0	112.7	K585 I586 K593 L843	K585-Q589 WeakPolarHBondContact O-CB 3.38Å; K585-Q589 PolarHBondContact O-N 2.81Å; I586-Q589 CarbonylContact O-C 3.09Å; I586-Q589 WeakPolarHBondContact O-CA 3.32Å; I586-Q589 WeakPolarHBondContact O-CB 3Å; I586-Q589 PolarHBondContact O-N 2.9Å; Q589-K593 HydrophobicContact CG-CD 4.42Å; Q589-K593 WeakPolarHBondContact O-CB 3.17Å; Q589-K593 VanDerWaalsContact O-CG 3.27Å; Q589-K593 WeakPolarHBondContact O-CG 3.32Å; Q589-K593 PolarHBondContact O-N 3.35Å; Q589-K593 VanDerWaalsContact O-N 3.08Å; Q589-L843 HydrophobicContact CG-CB 4.15Å; Q589-L843 PolarHBondContact NE2-O 2.94Å; Q589-L843 PolarHBondContact NE2-OXT 3.41Å
590	L	98.1	Very high	96.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-66	-46.6	173.3	-61.7	-172.6	0	0	0	110.9	L475 L497 I508 L538 Q567 I586 A587 I588 C592 K593 L594	L475-L590 HydrophobicContact CD2-CD1 4.26Å; L497-L590 HydrophobicContact CD1-CD1 4.15Å; L497-L590 HydrophobicContact CD2-CD1 3.96Å; I508-L590 HydrophobicContact CD1-CD1 4.28Å; L538-L590 HydrophobicContact CD1-CD2 3.64Å; L538-L590 HydrophobicContact CD2-CD2 3.77Å; L538-L590 HydrophobicContact CG-CD2 4.38Å; Q567-L590 HydrophobicContact CB-CD2 3.79Å; Q567-L590 HydrophobicContact CG-CD2 3.95Å; I586-L590 HydrophobicContact CG2-CD1 4.43Å; I586-L590 HydrophobicContact CG2-CD2 4.43Å; I586-L590 HydrophobicContact CG2-CG 4.19Å; I586-L590 WeakPolarHBondContact O-CG 3.35Å; I586-L590 PolarHBondContact O-N 3.07Å; A587-L590 PolarHBondContact O-N 3.32Å; I588-L590 VanDerWaalsContact C-N 3.35Å; I588-L590 PolarHBondContact O-N 3.41Å; L590-C592 VanDerWaalsContact C-N 3.31Å; L590-C592 PolarHBondContact O-N 2.71Å; L590-K593 WeakPolarHBondContact O-CB 3.42Å; L590-K593 PolarHBondContact O-N 2.9Å; L590-L594 WeakPolarHBondContact O-CG 3.39Å; L590-L594 PolarHBondContact O-N 3.11Å
591	N	97.8	Very high	96.4	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57	-45.8	177.7	-161.3	48.7	0	0	0	111.3	M467 T469 P471 L506 A587 I588 K593 L594 G595 Y596	M467-N591 HydrophobicContact CE-CB 3.77Å; M467-N591 HydrophobicContact SD-CB 3.84Å; T469-N591 PolarHBondContact O-ND2 2.88Å; P471-N591 WeakPolarHBondContact CD-OD1 3.21Å; L506-N591 HydrophobicContact CD2-CB 4.31Å; A587-N591 PolarHBondContact O-N 2.83Å; I588-N591 PolarHBondContact O-N 2.98Å; N591-K593 VanDerWaalsContact C-N 3.33Å; N591-K593 PolarHBondContact O-N 3.25Å; N591-L594 PolarHBondContact O-N 3.35Å; N591-G595 PolarHBondContact O-N 2.92Å; N591-Y596 PolarHBondContact O-N 3.33Å; N591-Y596 WeakPolarHBondContact OD1-CB 3.33Å
592	C	98	Very high	96.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-57.8	-42.8	173.7	-61.9	0	0	0	0	112.4	I588 L590 L594 G595 Y596 P598 Y802 F840 L843	I588-C592 PolarHBondContact O-N 3.36Å; I588-C592 VanDerWaalsContact O-N 3.11Å; I588-C592 PolarHBondContact O-SG 3.01Å; L590-C592 VanDerWaalsContact C-N 3.31Å; L590-C592 PolarHBondContact O-N 2.71Å; C592-L594 VanDerWaalsContact C-N 3.29Å; C592-L594 PolarHBondContact O-N 3.18Å; C592-G595 PolarHBondContact O-N 2.7Å; C592-G595 VanDerWaalsContact O-N 3.08Å; C592-Y596 WeakPolarHBondContact CA-O 3.13Å; C592-P598 WeakPolarHBondContact SG-CG 3.36Å; C592-Y802 WeakPolarHBondContact SG-CB 3.21Å; C592-F840 HydrophobicContact CB-CB 3.78Å; C592-F840 HydrophobicContact CB-CD2 3.82Å; C592-F840 HydrophobicContact CB-CG 4.11Å; C592-F840 WeakPolarHBondContact O-CB 3.31Å; C592-F840 WeakPolarHBondContact O-CD2 3.45Å; C592-F840 PolarHBondContact O-N 2.88Å; C592-F840 VanDerWaalsContact O-N 3.14Å; C592-L843 HydrophobicContact CB-CD1 3.9Å
593	K	97.9	Very high	96.3	Very high	1 Å²	1	17.7 Å²	17.7	0%	0.004	9%	0.087	C	C	.	.	H	α-helix	trans	-69	-25.4	-178.7	-80.1	175.7	179	179.3	0	114	L538 P565 T566 Q589 L590 N591 G595 F840 L843	L538-K593 HydrophobicContact CD1-CB 3.91Å; L538-K593 HydrophobicContact CD1-CD 4.34Å; P565-K593 HydrophobicContact CB-CB 4.09Å; P565-K593 WeakPolarHBondContact CG-O 3.28Å; T566-K593 PolarHBondContact O-NZ 3.21Å; Q589-K593 HydrophobicContact CG-CD 4.42Å; Q589-K593 WeakPolarHBondContact O-CB 3.17Å; Q589-K593 VanDerWaalsContact O-CG 3.27Å; Q589-K593 WeakPolarHBondContact O-CG 3.32Å; Q589-K593 PolarHBondContact O-N 3.35Å; Q589-K593 VanDerWaalsContact O-N 3.08Å; L590-K593 WeakPolarHBondContact O-CB 3.42Å; L590-K593 PolarHBondContact O-N 2.9Å; N591-K593 VanDerWaalsContact C-N 3.33Å; N591-K593 PolarHBondContact O-N 3.25Å; K593-G595 VanDerWaalsContact C-N 3.31Å; K593-F840 WeakPolarHBondContact CG-O 3.33Å; K593-L843 WeakPolarHBondContact CE-OXT 3.39Å; K593-L843 PolarHBondContact NZ-OXT 2.87Å
594	L	96.3	Very high	96	Very high	20 Å²	20	22.9 Å²	22.9	11%	0.105	12%	0.121	C	C	.	.	H	α-helix	trans	-77.3	-19.2	172.2	-63.2	169.1	0	0	0	112.2	P471 L475 K537 L538 L590 N591 C592 Y596	P471-L594 HydrophobicContact CG-CD1 4.2Å; L475-L594 HydrophobicContact CB-CD1 4.38Å; L475-L594 HydrophobicContact CD1-CD1 4.01Å; L475-L594 HydrophobicContact CD1-CD2 3.88Å; K537-L594 HydrophobicContact CB-CD2 3.93Å; L538-L594 HydrophobicContact CB-CD2 4.37Å; L590-L594 WeakPolarHBondContact O-CG 3.39Å; L590-L594 PolarHBondContact O-N 3.11Å; N591-L594 PolarHBondContact O-N 3.35Å; C592-L594 VanDerWaalsContact C-N 3.29Å; C592-L594 PolarHBondContact O-N 3.18Å; L594-Y596 HydrophobicContact CB-CD2 3.79Å; L594-Y596 HydrophobicContact CB-CE2 4.13Å
595	G	95.1	Very high	95.8	Very high	17 Å²	17	22.6 Å²	22.6	18%	0.175	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	115.8	5.6	179	0	0	0	0	0	114.9	N591 C592 K593	N591-G595 PolarHBondContact O-N 2.92Å; C592-G595 PolarHBondContact O-N 2.7Å; C592-G595 VanDerWaalsContact O-N 3.08Å; K593-G595 VanDerWaalsContact C-N 3.31Å
596	Y	96.4	Very high	95.6	Very high	82 Å²	82	21.9 Å²	21.9	32%	0.322	12%	0.122	S	C	.	.			trans	-103.3	168.6	-168.9	-65.9	-95.1	0	0	0	113.2	T470 P471 N591 C592 L594	T470-Y596 VanDerWaalsContact C-CD1 3.44Å; P471-Y596 HydrophobicContact CB-CD2 4.41Å; P471-Y596 HydrophobicContact CB-CE1 4.23Å; P471-Y596 HydrophobicContact CB-CE2 3.74Å; P471-Y596 HydrophobicContact CG-CD2 4.34Å; P471-Y596 HydrophobicContact CG-CE2 4.13Å; N591-Y596 PolarHBondContact O-N 3.33Å; N591-Y596 WeakPolarHBondContact OD1-CB 3.33Å; C592-Y596 WeakPolarHBondContact CA-O 3.13Å; L594-Y596 HydrophobicContact CB-CD2 3.79Å; L594-Y596 HydrophobicContact CB-CE2 4.13Å
597	T	97.1	Very high	95.5	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	12%	0.123	C	C	.	.			trans	-113.9	109.5	-164.6	-44.5	0	0	0	0	110.9	L468 T469 W599 S639 Y802	L468-T597 HydrophobicContact CD2-CG2 4.34Å; L468-T597 PolarHBondContact N-O 3.45Å; T469-T597 PolarHBondContact N-O 2.7Å; T469-T597 WeakPolarHBondContact OG1-CB 3.45Å; T469-T597 PolarHBondContact OG1-N 2.97Å; T469-T597 PolarHBondContact OG1-OG1 2.87Å; T597-W599 WeakPolarHBondContact CG2-O 3.44Å; T597-S639 WeakPolarHBondContact CB-OG 3.28Å; T597-S639 WeakPolarHBondContact CG2-OG 3.47Å; T597-S639 PolarHBondContact OG1-O 3.26Å; T597-S639 VanDerWaalsContact OG1-O 3.11Å; T597-S639 PolarHBondContact OG1-OG 3.08Å; T597-Y802 HydrophobicContact CG2-CE1 4.47Å; T597-Y802 HydrophobicContact CG2-CE2 3.99Å; T597-Y802 WeakPolarHBondContact CG2-OH 3.3Å
598	P	96.6	Very high	95.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-66.8	-38.1	179.9	-28.4	39.6	0	0	0	115.1	M467 L468 I588 C592 Y802	M467-P598 VanDerWaalsContact CA-O 3.27Å; M467-P598 WeakPolarHBondContact CA-O 3.27Å; M467-P598 HydrophobicContact CG-CB 3.94Å; M467-P598 HydrophobicContact SD-CB 3.77Å; M467-P598 HydrophobicContact SD-CG 4.03Å; L468-P598 PolarHBondContact N-O 3.06Å; I588-P598 HydrophobicContact CG2-CB 3.99Å; I588-P598 HydrophobicContact CG2-CG 3.78Å; C592-P598 WeakPolarHBondContact SG-CG 3.36Å; P598-Y802 HydrophobicContact CG-CD2 4.44Å; P598-Y802 HydrophobicContact CG-CG 4.14Å
599	W	96.9	Very high	95.6	Very high	1 Å²	1	21.3 Å²	21.3	0%	0.004	12%	0.121	C	C	.	.			trans	-156.2	168.3	177.3	67.8	85.3	0	0	0	110.6	I443 V444 F445 W458 F462 I588 T597 H799 Y802 W804	I443-W599 HydrophobicContact CG2-CB 3.69Å; I443-W599 HydrophobicContact CG2-CG 3.77Å; V444-W599 CarbonylContact O-C 3.59Å; V444-W599 WeakPolarHBondContact O-CA 3.4Å; F445-W599 HydrophobicContact CD1-CB 4.5Å; F445-W599 HydrophobicContact CE1-CB 4.16Å; F445-W599 HydrophobicContact CZ-CB 4.28Å; W458-W599 AromaticContact CE2-CE2 3.95Å; W458-W599 AromaticContact CE2-NE1 3.97Å; W458-W599 AromaticContact CZ2-CE2 3.74Å; W458-W599 AromaticContact CZ2-CZ2 3.77Å; W458-W599 HydrophobicContact CZ2-CZ2 3.77Å; W458-W599 AromaticContact CZ2-NE1 3.53Å; W458-W599 AromaticContact NE1-CD2 3.77Å; W458-W599 AromaticContact NE1-CE2 3.53Å; W458-W599 AromaticContact NE1-CZ2 3.77Å; W458-W599 AromaticContact NE1-NE1 3.83Å; F462-W599 AromaticContact CE1-CE3 3.59Å; F462-W599 HydrophobicContact CE1-CE3 3.59Å; F462-W599 AromaticContact CE1-CZ3 3.88Å; F462-W599 HydrophobicContact CE1-CZ3 3.88Å; F462-W599 HydrophobicContact CE2-CZ3 4.47Å; F462-W599 HydrophobicContact CZ-CD2 4.11Å; F462-W599 AromaticContact CZ-CE3 3.31Å; F462-W599 HydrophobicContact CZ-CE3 3.31Å; F462-W599 HydrophobicContact CZ-CH2 4.31Å; F462-W599 AromaticContact CZ-CZ3 3.44Å; F462-W599 HydrophobicContact CZ-CZ3 3.44Å; F462-W599 VanDerWaalsContact CZ-CZ3 3.44Å; I588-W599 HydrophobicContact CG2-CZ3 4.19Å; T597-W599 WeakPolarHBondContact CG2-O 3.44Å; W599-H799 PolarHBondContact NE1-O 3.09Å; W599-Y802 AromaticContact CD2-CD1 3.82Å; W599-Y802 HydrophobicContact CD2-CD1 3.82Å; W599-Y802 HydrophobicContact CD2-CE1 4.2Å; W599-Y802 AromaticContact CE2-CD1 3.67Å; W599-Y802 HydrophobicContact CE3-CD1 4.08Å; W599-Y802 HydrophobicContact CG-CD1 4.4Å; W599-Y802 HydrophobicContact CG-CE1 4.33Å; W599-Y802 VanDerWaalsContact CH2-CA 3.49Å; W599-Y802 HydrophobicContact CH2-CD1 4.19Å; W599-Y802 AromaticContact CZ2-CD1 3.89Å; W599-Y802 HydrophobicContact CZ2-CD1 3.89Å; W599-Y802 HydrophobicContact CZ3-CD1 4.26Å; W599-Y802 WeakPolarHBondContact O-CE1 3.38Å; W599-Y802 PolarHBondContact O-OH 3.49Å; W599-W804 WeakPolarHBondContact CH2-O 3.43Å; W599-W804 WeakPolarHBondContact CZ2-O 3.24Å
600	M	96.8	Very high	95.6	Very high	12 Å²	12	20.1 Å²	20.1	6%	0.059	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	178.7	176.7	-171.3	49.2	-150.5	0	0	111.7	V444 L468 L603 L635 L800	V444-M600 HydrophobicContact CB-CB 4.39Å; V444-M600 PolarHBondContact N-O 3.01Å; V444-M600 PolarHBondContact O-N 3.42Å; L468-M600 HydrophobicContact CD2-CB 3.31Å; L468-M600 HydrophobicContact CD2-CG 4.31Å; M600-L603 HydrophobicContact CE-CB 4.46Å; M600-L635 HydrophobicContact CE-CB 3.55Å; M600-L635 HydrophobicContact CE-CD1 4.24Å; M600-L635 HydrophobicContact CE-CG 4.33Å; M600-L635 HydrophobicContact SD-CB 4.42Å; M600-L800 HydrophobicContact CE-CD1 4Å; M600-L800 HydrophobicContact CE-CD2 4.32Å; M600-L800 HydrophobicContact SD-CD1 4.16Å; M600-L800 HydrophobicContact SD-CD2 3.68Å
601	I	95.6	Very high	95.6	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.015	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	145.7	175.9	-159.6	72.3	0	0	0	110.3	Q441 N442 I443 L603 K796 H799 L800	Q441-I601 HydrophobicContact CB-CD1 3.65Å; Q441-I601 HydrophobicContact CB-CG1 4.47Å; N442-I601 WeakPolarHBondContact O-CD1 3.27Å; I443-I601 HydrophobicContact CD1-CD1 3.99Å; I601-L603 PolarHBondContact O-N 3.4Å; I601-L603 VanDerWaalsContact O-N 3.16Å; I601-K796 HydrophobicContact CG1-CB 4.25Å; I601-K796 HydrophobicContact CG1-CG 4.08Å; I601-K796 HydrophobicContact CG2-CB 4.19Å; I601-H799 HydrophobicContact CD1-CB 4.21Å; I601-L800 HydrophobicContact CB-CD2 4.02Å; I601-L800 HydrophobicContact CG2-CD1 3.93Å; I601-L800 HydrophobicContact CG2-CD2 3.98Å; I601-L800 HydrophobicContact CG2-CG 4.1Å
602	E	91.8	Very high	95.6	Very high	67 Å²	67	20.2 Å²	20.2	31%	0.313	12%	0.116	S	C	.	.			trans	-61.6	116.4	173.5	-64.1	175.1	138.7	0	0	110.5	N442 V444 K449 K796	N442-E602 HydrophobicContact CB-CG 4.33Å; N442-E602 WeakPolarHBondContact CB-OE2 3.44Å; N442-E602 PolarHBondContact ND2-OE2 2.75Å; V444-E602 HydrophobicContact CG2-CG 4.01Å; K449-E602 WeakPolarHBondContact CD-OE1 3.17Å; K449-E602 WeakPolarHBondContact CE-OE1 3.49Å; K449-E602 IonicContact NZ-OE1 3.07Å; K449-E602 PolarHBondContact NZ-OE1 2.77Å; E602-K796 WeakPolarHBondContact O-CD 3.35Å; E602-K796 VanDerWaalsContact O-CE 3.25Å; E602-K796 WeakPolarHBondContact O-CE 3.42Å; E602-K796 PolarHBondContact O-NZ 2.84Å
603	L	92.6	Very high	95.5	Very high	16 Å²	16	20.5 Å²	20.5	8%	0.084	12%	0.117	C	C	.	.			trans	-125.9	98.6	-173.1	-179.1	65	0	0	0	111.1	M600 I601 L605 L608 L635 L793	M600-L603 HydrophobicContact CE-CB 4.46Å; I601-L603 PolarHBondContact O-N 3.4Å; I601-L603 VanDerWaalsContact O-N 3.16Å; L603-L605 HydrophobicContact CD1-CB 4.45Å; L603-L605 PolarHBondContact O-N 3Å; L603-L608 HydrophobicContact CD1-CD2 4.26Å; L603-L608 HydrophobicContact CD2-CD2 4.35Å; L603-L635 HydrophobicContact CD2-CB 3.76Å; L603-L635 HydrophobicContact CD2-CD1 4.48Å; L603-L793 HydrophobicContact CD1-CD1 3.61Å
604	P	90	Very high	95.2	Very high	109 Å²	109	21.1 Å²	21.1	71%	0.708	12%	0.12	S	C	*	.			trans	-83.8	49.5	-177.9	35.7	-37	0	0	0	112.2
605	L	90.8	Very high	94.9	Very high	28 Å²	28	21.9 Å²	21.9	15%	0.147	12%	0.124	C	C	.	.			trans	-145.7	97	179.8	-74	177.7	0	0	0	110.8	L603 L608 L785 L793	L603-L605 HydrophobicContact CD1-CB 4.45Å; L603-L605 PolarHBondContact O-N 3Å; L605-L608 HydrophobicContact CB-CB 4.4Å; L605-L608 HydrophobicContact CB-CD2 4.01Å; L605-L608 HydrophobicContact CD1-CD2 3.98Å; L605-L608 WeakPolarHBondContact O-CB 3.41Å; L605-L785 HydrophobicContact CD1-CD1 4.08Å; L605-L785 HydrophobicContact CD2-CD2 4.46Å; L605-L793 HydrophobicContact CD1-CD1 4.28Å; L605-L793 HydrophobicContact CD1-CD2 3.89Å
606	S	91	Very high	94.6	Very high	59 Å²	59	21.7 Å²	21.7	41%	0.413	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	153.8	175.4	-39.3	0	0	0	0	112	L608 Q636 R679	S606-L608 VanDerWaalsContact C-N 3.26Å; S606-L608 PolarHBondContact O-N 3.38Å; S606-Q636 VanDerWaalsContact CA-OE1 3.23Å; S606-Q636 PolarHBondContact OG-OE1 2.8Å; S606-R679 PolarHBondContact O-NH1 2.6Å
607	G	94.6	Very high	94.1	Very high	6 Å²	6	24 Å²	24	6%	0.062	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	21.5	177.3	0	0	0	0	0	113.6	D634 Y669 P677 S678 R679	G607-D634 VanDerWaalsContact CA-OD2 3.25Å; G607-D634 WeakPolarHBondContact CA-OD2 3.39Å; G607-D634 PolarHBondContact N-OD2 3.29Å; G607-Y669 WeakPolarHBondContact CA-OH 3.45Å; G607-P677 CarbonylContact O-C 3.53Å; G607-S678 PolarHBondContact O-N 2.92Å; G607-S678 VanDerWaalsContact O-N 3.11Å; G607-R679 PolarHBondContact O-N 3.3Å
608	L	97.1	Very high	93.6	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	116.3	-172.8	178.8	59.9	0	0	0	112.6	L603 L605 S606 R679 V681 L793	L603-L608 HydrophobicContact CD1-CD2 4.26Å; L603-L608 HydrophobicContact CD2-CD2 4.35Å; L605-L608 HydrophobicContact CB-CB 4.4Å; L605-L608 HydrophobicContact CB-CD2 4.01Å; L605-L608 HydrophobicContact CD1-CD2 3.98Å; L605-L608 WeakPolarHBondContact O-CB 3.41Å; S606-L608 VanDerWaalsContact C-N 3.26Å; S606-L608 PolarHBondContact O-N 3.38Å; L608-R679 HydrophobicContact CD1-CB 3.88Å; L608-V681 HydrophobicContact CD1-CB 4.4Å; L608-V681 HydrophobicContact CD1-CG2 3.86Å; L608-L793 HydrophobicContact CD2-CD1 4.08Å; L608-L793 HydrophobicContact CD2-CD2 4.25Å
609	M	98.4	Very high	92.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	111.6	166	-175.2	-170	-163.7	0	0	109.2	I611 A631 A665 L666 Y669 P677 R679 I680 V681	M609-I611 HydrophobicContact CE-CD1 3.92Å; M609-I611 HydrophobicContact CE-CG1 4.17Å; M609-I611 HydrophobicContact CG-CD1 4.38Å; M609-I611 HydrophobicContact CG-CG1 4.04Å; M609-I611 HydrophobicContact SD-CD1 3.91Å; M609-I611 HydrophobicContact SD-CG1 4.22Å; M609-A631 HydrophobicContact CE-CB 3.61Å; M609-A631 HydrophobicContact CG-CB 4.48Å; M609-A665 HydrophobicContact CE-CB 3.38Å; M609-L666 HydrophobicContact CE-CD2 4.31Å; M609-L666 HydrophobicContact CE-CG 4.47Å; M609-L666 HydrophobicContact SD-CD2 3.77Å; M609-Y669 HydrophobicContact CB-CD2 4.24Å; M609-Y669 HydrophobicContact CB-CE2 4.14Å; M609-Y669 HydrophobicContact CG-CD2 4.35Å; M609-P677 HydrophobicContact CB-CB 3.67Å; M609-P677 HydrophobicContact CB-CG 3.81Å; M609-P677 HydrophobicContact CG-CG 4.41Å; M609-P677 HydrophobicContact SD-CG 3.78Å; M609-R679 PolarHBondContact N-O 3.26Å; M609-I680 HydrophobicContact CB-CG1 4.46Å; M609-I680 WeakPolarHBondContact O-CA 3.46Å; M609-I680 HydrophobicContact SD-CD1 4.48Å; M609-I680 HydrophobicContact SD-CG1 4.45Å; M609-V681 PolarHBondContact O-N 3.29Å
610	T	98.4	Very high	92	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	126.6	171	-53	0	0	0	0	109.2	A631 S632 V681 Y683 M797 V813	T610-A631 CarbonylContact O-C 3.58Å; T610-A631 WeakPolarHBondContact O-CA 3.45Å; T610-S632 PolarHBondContact N-OG 2.78Å; T610-S632 PolarHBondContact O-N 3.46Å; T610-S632 PolarHBondContact O-OG 3.08Å; T610-V681 CarbonylContact C-O 3.51Å; T610-V681 WeakPolarHBondContact CA-O 3.44Å; T610-Y683 HydrophobicContact CG2-CD2 3.77Å; T610-Y683 HydrophobicContact CG2-CE2 3.61Å; T610-M797 HydrophobicContact CG2-CE 3.72Å; T610-M797 HydrophobicContact CG2-CG 4.44Å; T610-V813 HydrophobicContact CG2-CG1 4.32Å; T610-V813 HydrophobicContact CG2-CG2 4Å
611	I	98.6	Very high	91.1	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	141.8	-179	-57.3	176.3	0	0	0	109.6	M609 L629 I630 A631 I680 V681 F682 Y683	M609-I611 HydrophobicContact CE-CD1 3.92Å; M609-I611 HydrophobicContact CE-CG1 4.17Å; M609-I611 HydrophobicContact CG-CD1 4.38Å; M609-I611 HydrophobicContact CG-CG1 4.04Å; M609-I611 HydrophobicContact SD-CD1 3.91Å; M609-I611 HydrophobicContact SD-CG1 4.22Å; I611-L629 HydrophobicContact CG2-CD1 3.81Å; I611-L629 HydrophobicContact CG2-CD2 4.11Å; I611-L629 HydrophobicContact CG2-CG 3.77Å; I611-I630 CarbonylContact C-O 3.6Å; I611-I630 VanDerWaalsContact CA-O 3.27Å; I611-I630 WeakPolarHBondContact CA-O 3.4Å; I611-A631 HydrophobicContact CG1-CB 4.15Å; I611-I680 HydrophobicContact CD1-CG2 3.8Å; I611-I680 HydrophobicContact CG1-CG2 4.36Å; I611-V681 PolarHBondContact N-O 2.84Å; I611-F682 HydrophobicContact CB-CD2 3.77Å; I611-F682 HydrophobicContact CB-CE2 4.31Å; I611-F682 HydrophobicContact CB-CG 4.37Å; I611-F682 HydrophobicContact CD1-CD2 4.11Å; I611-F682 HydrophobicContact CG2-CD2 3.53Å; I611-F682 HydrophobicContact CG2-CE2 3.54Å; I611-F682 HydrophobicContact CG2-CG 4.39Å; I611-F682 HydrophobicContact CG2-CZ 4.4Å; I611-Y683 PolarHBondContact O-N 3Å
612	G	97.9	Very high	90.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	137.3	170.2	0	0	0	0	0	111.2	I630 Y683	G612-I630 PolarHBondContact N-O 3.03Å; G612-I630 PolarHBondContact O-N 3.3Å; G612-Y683 WeakPolarHBondContact CA-O 3.46Å
613	F	95.2	Very high	89.5	Confident	7 Å²	7	51.3 Å²	51.3	3%	0.031	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	129.9	-179.5	-174.2	-126.5	0	0	0	111.2	I615 A628 L629 L658 M661 F682 Y683 D685	F613-I615 HydrophobicContact CE1-CD1 3.75Å; F613-I615 HydrophobicContact CE1-CG1 3.97Å; F613-I615 HydrophobicContact CE2-CG1 4.34Å; F613-I615 HydrophobicContact CZ-CD1 3.81Å; F613-I615 HydrophobicContact CZ-CG1 3.75Å; F613-A628 VanDerWaalsContact CD2-O 3.28Å; F613-A628 WeakPolarHBondContact CD2-O 3.39Å; F613-L629 HydrophobicContact CD2-CB 4.15Å; F613-L658 HydrophobicContact CD1-CD1 3.88Å; F613-L658 HydrophobicContact CD1-CD2 4.27Å; F613-L658 HydrophobicContact CD2-CD1 4Å; F613-L658 HydrophobicContact CE1-CD1 3.9Å; F613-L658 HydrophobicContact CE1-CD2 4.22Å; F613-L658 HydrophobicContact CE1-CG 4.48Å; F613-L658 HydrophobicContact CE2-CD1 4.04Å; F613-L658 HydrophobicContact CG-CD1 3.96Å; F613-L658 HydrophobicContact CZ-CD1 4Å; F613-M661 HydrophobicContact CD2-CE 4.36Å; F613-M661 HydrophobicContact CE2-CE 3.6Å; F613-M661 HydrophobicContact CZ-CE 4.2Å; F613-F682 HydrophobicContact CB-CE1 4.01Å; F613-F682 HydrophobicContact CB-CZ 3.65Å; F613-F682 HydrophobicContact CD1-CZ 4.33Å; F613-F682 HydrophobicContact CG-CZ 4.25Å; F613-Y683 PolarHBondContact N-O 3.22Å; F613-D685 PolarHBondContact O-N 3.48Å
614	D	92.5	Very high	89.2	Confident	13 Å²	13	55.6 Å²	55.6	7%	0.07	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	158.5	174	-166	15.7	0	0	0	109.7	A628 D685 A817 K818	D614-A628 PolarHBondContact N-O 3.01Å; D614-A628 PolarHBondContact O-N 3.05Å; D614-D685 HydrophobicContact CB-CB 4.08Å; D614-A817 HydrophobicContact CB-CB 4.09Å; D614-K818 HydrophobicContact CB-CB 4.28Å; D614-K818 WeakPolarHBondContact OD2-CA 3.31Å; D614-K818 WeakPolarHBondContact OD2-CB 3.2Å; D614-K818 WeakPolarHBondContact OD2-CD 3.42Å; D614-K818 WeakPolarHBondContact OD2-CG 3.29Å
615	I	89.6	Confident	89.1	Confident	36 Å²	36	50.5 Å²	50.5	19%	0.185	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	127.1	-170.4	-56.8	174.3	0	0	0	110.4	F613 A625 Y626 V653	F613-I615 HydrophobicContact CE1-CD1 3.75Å; F613-I615 HydrophobicContact CE1-CG1 3.97Å; F613-I615 HydrophobicContact CE2-CG1 4.34Å; F613-I615 HydrophobicContact CZ-CD1 3.81Å; F613-I615 HydrophobicContact CZ-CG1 3.75Å; I615-A625 HydrophobicContact CG2-CB 3.89Å; I615-Y626 WeakPolarHBondContact CA-O 3.38Å; I615-V653 HydrophobicContact CD1-CG1 3.4Å; I615-V653 VanDerWaalsContact CD1-CG1 3.4Å; I615-V653 HydrophobicContact CG2-CG1 4.38Å
616	A	88.1	Confident	89.2	Confident	14 Å²	14	49.3 Å²	49.3	12%	0.116	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	136	176.9	0	0	0	0	0	111.5	A625 Y626 A821	A616-A625 CarbonylContact O-C 3.58Å; A616-A625 VanDerWaalsContact O-CA 3.28Å; A616-A625 WeakPolarHBondContact O-CA 3.47Å; A616-A625 WeakPolarHBondContact O-CB 3.5Å; A616-Y626 PolarHBondContact N-O 3.38Å; A616-Y626 PolarHBondContact O-N 3.03Å; A616-A821 VanDerWaalsContact CB-C 3.45Å; A616-A821 HydrophobicContact CB-CB 3.77Å; A616-A821 WeakPolarHBondContact CB-O 3.34Å
617	K	86.8	Confident	89.2	Confident	129 Å²	129	46.6 Å²	46.6	56%	0.561	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	144.1	172.5	-61.9	-163.3	173.9	-155.6	0	110.4	A625 A650	K617-A625 HydrophobicContact CG-CB 4.39Å; K617-A650 HydrophobicContact CD-CB 4.34Å; K617-A650 PolarHBondContact NZ-O 3.19Å
618	S	86.4	Confident	89.3	Confident	7 Å²	7	46.3 Å²	46.3	5%	0.049	20%	0.204	C	C	.	.			trans	-69.4	133.2	174.6	-177.2	0	0	0	0	110.2	R620 D621 R624 G825	S618-R620 VanDerWaalsContact C-N 3.31Å; S618-R620 PolarHBondContact OG-N 3.34Å; S618-D621 WeakPolarHBondContact CB-O 3.41Å; S618-D621 PolarHBondContact OG-N 3.19Å; S618-R624 PolarHBondContact N-O 2.84Å; S618-G825 WeakPolarHBondContact CA-O 3.46Å
619	T	82.2	Confident	89.3	Confident	91 Å²	91	46.2 Å²	46.2	56%	0.558	20%	0.204	S	C	*	.	S	Bend	trans	-74.7	-24.9	174.2	56.6	0	0	0	0	112.2	G825 T826 H829	T619-G825 PolarHBondContact N-O 2.65Å; T619-G825 PolarHBondContact OG1-O 3.16Å; T619-T826 HydrophobicContact CG2-CG2 4.21Å; T619-H829 PolarHBondContact OG1-CE1 3.47Å; T619-H829 VanDerWaalsContact OG1-CE1 3.3Å
620	R	77.9	Confident	89.3	Confident	201 Å²	201	46.2 Å²	46.2	76%	0.758	20%	0.204	S	C	*	.	S	Bend	trans	-81.6	-34.3	179.2	-174.5	179.3	178.7	-150.3	-1.3	113.6	S618	S618-R620 VanDerWaalsContact C-N 3.31Å; S618-R620 PolarHBondContact OG-N 3.34Å
621	D	78.3	Confident	89.3	Confident	48 Å²	48	46.2 Å²	46.2	26%	0.257	20%	0.204	S	C	.	.			trans	-138.8	106	-179.5	-179.6	-4.3	0	0	0	110.1	S618 K623 R624	S618-D621 WeakPolarHBondContact CB-O 3.41Å; S618-D621 PolarHBondContact OG-N 3.19Å; D621-K623 PolarHBondContact O-N 2.87Å; D621-K623 VanDerWaalsContact OD1-CB 3.28Å; D621-K623 WeakPolarHBondContact OD1-CB 3.38Å; D621-K623 PolarHBondContact OD1-N 2.98Å; D621-R624 HydrophobicContact CB-CB 4.47Å; D621-R624 HydrophobicContact CB-CG 4.22Å; D621-R624 PolarHBondContact O-N 3.49Å; D621-R624 WeakPolarHBondContact OD2-CD 3.22Å; D621-R624 WeakPolarHBondContact OD2-CG 3.01Å; D621-R624 IonicContact OD2-CZ 2.76Å; D621-R624 IonicContact OD2-NE 3.94Å; D621-R624 PolarHBondContact OD2-NE 2.79Å
622	R	73.1	Confident	89.3	Confident	168 Å²	168	46.2 Å²	46.2	63%	0.634	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-10.4	-177.6	-62	-175.7	-175.3	176.7	6	113.7	D288 A650	D288-R622 VanDerWaalsContact CB-NH1 3.34Å; D288-R622 IonicContact OD2-CZ 2.79Å; D288-R622 IonicContact OD2-NH1 2.7Å; D288-R622 PolarHBondContact OD2-NH1 3.29Å; R622-A650 VanDerWaalsContact O-CB 3.32Å; R622-A650 WeakPolarHBondContact O-CB 3.5Å
623	K	79.9	Confident	89.2	Confident	144 Å²	144	46.2 Å²	46.2	63%	0.626	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-16.8	173.3	-55.1	-174.6	179.2	177.2	0	113.1	D621 A650 F651	D621-K623 PolarHBondContact O-N 2.87Å; D621-K623 VanDerWaalsContact OD1-CB 3.28Å; D621-K623 WeakPolarHBondContact OD1-CB 3.38Å; D621-K623 PolarHBondContact OD1-N 2.98Å; K623-A650 VanDerWaalsContact C-CB 3.44Å; K623-A650 VanDerWaalsContact O-CB 3.27Å; K623-A650 WeakPolarHBondContact O-CB 3.43Å; K623-A650 PolarHBondContact O-N 2.76Å; K623-F651 HydrophobicContact CB-CE2 3.96Å; K623-F651 HydrophobicContact CG-CE2 3.94Å; K623-F651 HydrophobicContact CG-CZ 4.39Å
624	R	85.6	Confident	89	Confident	106 Å²	106	45.9 Å²	45.9	40%	0.4	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	146.1	-177.5	-62.2	173.7	-166.9	-118	3.6	112.3	S618 D621 E647	S618-R624 PolarHBondContact N-O 2.84Å; D621-R624 HydrophobicContact CB-CB 4.47Å; D621-R624 HydrophobicContact CB-CG 4.22Å; D621-R624 PolarHBondContact O-N 3.49Å; D621-R624 WeakPolarHBondContact OD2-CD 3.22Å; D621-R624 WeakPolarHBondContact OD2-CG 3.01Å; D621-R624 IonicContact OD2-CZ 2.76Å; D621-R624 IonicContact OD2-NE 3.94Å; D621-R624 PolarHBondContact OD2-NE 2.79Å; R624-E647 HydrophobicContact CB-CG 4.48Å; R624-E647 WeakPolarHBondContact CD-OE1 3.5Å; R624-E647 WeakPolarHBondContact CG-OE1 3.31Å; R624-E647 IonicContact CZ-OE1 3.13Å; R624-E647 IonicContact NE-OE1 2.76Å; R624-E647 IonicContact NH1-OE1 2.71Å; R624-E647 PolarHBondContact NH1-OE1 3.39Å; R624-E647 IonicContact NH1-OE2 2.7Å; R624-E647 PolarHBondContact NH1-OE2 2.73Å
625	A	89	Confident	89	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.008	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	165	166.5	0	0	0	0	0	110	I615 A616 K617 E647 C648 A650	I615-A625 HydrophobicContact CG2-CB 3.89Å; A616-A625 CarbonylContact O-C 3.58Å; A616-A625 VanDerWaalsContact O-CA 3.28Å; A616-A625 WeakPolarHBondContact O-CA 3.47Å; A616-A625 WeakPolarHBondContact O-CB 3.5Å; K617-A625 HydrophobicContact CG-CB 4.39Å; A625-E647 CarbonylContact O-C 3.28Å; A625-E647 WeakPolarHBondContact O-CA 3.44Å; A625-C648 PolarHBondContact N-O 3.34Å; A625-C648 PolarHBondContact O-N 3.08Å; A625-A650 HydrophobicContact CB-CB 4.3Å
626	Y	91.9	Very high	88.8	Confident	4 Å²	4	48.6 Å²	48.6	2%	0.016	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	120.5	177.3	-61.8	-81.1	0	0	0	109.1	I615 A616 T646 E647 V824 H829	I615-Y626 WeakPolarHBondContact CA-O 3.38Å; A616-Y626 PolarHBondContact N-O 3.38Å; A616-Y626 PolarHBondContact O-N 3.03Å; Y626-T646 VanDerWaalsContact CA-O 3.31Å; Y626-T646 WeakPolarHBondContact CA-O 3.41Å; Y626-E647 HydrophobicContact CD1-CB 4.02Å; Y626-E647 HydrophobicContact CD1-CG 4.13Å; Y626-E647 HydrophobicContact CE1-CB 3.85Å; Y626-E647 HydrophobicContact CE1-CG 3.75Å; Y626-E647 WeakPolarHBondContact CE1-OE2 3.19Å; Y626-E647 PolarHBondContact OH-OE2 2.91Å; Y626-V824 HydrophobicContact CD1-CG1 3.52Å; Y626-V824 HydrophobicContact CD2-CG1 3.81Å; Y626-V824 HydrophobicContact CE1-CG1 3.84Å; Y626-V824 HydrophobicContact CE2-CG1 4.1Å; Y626-V824 HydrophobicContact CG-CB 4.29Å; Y626-V824 HydrophobicContact CG-CG1 3.49Å; Y626-V824 VanDerWaalsContact CG-CG1 3.49Å; Y626-H829 PolarHBondContact OH-O 3.13Å
627	G	92.6	Very high	88.6	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	127	171.1	0	0	0	0	0	109.7	V645 T646	G627-V645 WeakPolarHBondContact O-CA 3.47Å; G627-V645 WeakPolarHBondContact O-CG1 3.22Å; G627-T646 PolarHBondContact N-O 3.31Å; G627-T646 PolarHBondContact O-N 2.69Å
628	A	95.3	Very high	88.6	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	124.9	177.3	0	0	0	0	0	110.4	F613 D614 T644 V645 A817 L820 A821	F613-A628 VanDerWaalsContact CD2-O 3.28Å; F613-A628 WeakPolarHBondContact CD2-O 3.39Å; D614-A628 PolarHBondContact N-O 3.01Å; D614-A628 PolarHBondContact O-N 3.05Å; A628-T644 WeakPolarHBondContact CA-O 3.31Å; A628-V645 HydrophobicContact CB-CG2 4.02Å; A628-A817 WeakPolarHBondContact CB-O 3.33Å; A628-A817 WeakPolarHBondContact O-CB 3.47Å; A628-L820 HydrophobicContact CB-CB 4.03Å; A628-L820 HydrophobicContact CB-CD2 4.06Å; A628-L820 HydrophobicContact CB-CG 3.84Å; A628-A821 HydrophobicContact CB-CB 3.75Å
629	L	97.3	Very high	88.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	130.4	177.4	-177.4	146.7	0	0	0	109.9	I611 F613 A631 S643 T644 L658 M661 I662 A665 F682	I611-L629 HydrophobicContact CG2-CD1 3.81Å; I611-L629 HydrophobicContact CG2-CD2 4.11Å; I611-L629 HydrophobicContact CG2-CG 3.77Å; F613-L629 HydrophobicContact CD2-CB 4.15Å; L629-A631 HydrophobicContact CD2-CB 4.31Å; L629-S643 WeakPolarHBondContact O-CA 3.14Å; L629-T644 HydrophobicContact CB-CG2 4.14Å; L629-T644 HydrophobicContact CD2-CG2 4.23Å; L629-T644 PolarHBondContact N-O 3.24Å; L629-T644 PolarHBondContact O-N 3.1Å; L629-L658 HydrophobicContact CD1-CD1 3.81Å; L629-M661 HydrophobicContact CB-CB 3.96Å; L629-M661 HydrophobicContact CB-CE 4.26Å; L629-M661 HydrophobicContact CB-SD 4.03Å; L629-M661 HydrophobicContact CD1-CB 3.98Å; L629-M661 HydrophobicContact CG-CB 4.37Å; L629-I662 HydrophobicContact CD1-CG1 3.63Å; L629-A665 HydrophobicContact CD2-CB 4.15Å; L629-F682 HydrophobicContact CD1-CE2 4.32Å
630	I	98.4	Very high	89.3	Confident	0 Å²	0	47 Å²	47	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	130.8	174.3	-51.1	-62.3	0	0	0	108.3	I611 G612 Y641 F642 V813 A817 L820 Y842	I611-I630 CarbonylContact C-O 3.6Å; I611-I630 VanDerWaalsContact CA-O 3.27Å; I611-I630 WeakPolarHBondContact CA-O 3.4Å; G612-I630 PolarHBondContact N-O 3.03Å; G612-I630 PolarHBondContact O-N 3.3Å; I630-Y641 HydrophobicContact CG2-CD1 3.96Å; I630-F642 CarbonylContact C-O 3.46Å; I630-F642 WeakPolarHBondContact CA-O 3.32Å; I630-V813 HydrophobicContact CG2-CG1 4.39Å; I630-A817 HydrophobicContact CG1-CB 3.86Å; I630-A817 VanDerWaalsContact CG1-N 3.33Å; I630-L820 HydrophobicContact CD1-CD2 3.77Å; I630-Y842 HydrophobicContact CD1-CE1 4.41Å
631	A	98.5	Very high	90.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	148.4	175.7	0	0	0	0	0	111	M609 T610 I611 L629 Y641 F642 A665	M609-A631 HydrophobicContact CE-CB 3.61Å; M609-A631 HydrophobicContact CG-CB 4.48Å; T610-A631 CarbonylContact O-C 3.58Å; T610-A631 WeakPolarHBondContact O-CA 3.45Å; I611-A631 HydrophobicContact CG1-CB 4.15Å; L629-A631 HydrophobicContact CD2-CB 4.31Å; A631-Y641 CarbonylContact O-C 3.57Å; A631-Y641 WeakPolarHBondContact O-CA 3.13Å; A631-Y641 WeakPolarHBondContact O-CB 3.11Å; A631-F642 PolarHBondContact N-O 3.37Å; A631-F642 PolarHBondContact O-N 3.11Å; A631-A665 HydrophobicContact CB-CB 3.8Å
632	S	98.1	Very high	91.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	145.3	174.1	68.5	0	0	0	0	112.4	T610	T610-S632 PolarHBondContact N-OG 2.78Å; T610-S632 PolarHBondContact O-N 3.46Å; T610-S632 PolarHBondContact O-OG 3.08Å
633	M	96.4	Very high	92.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-105.1	70.1	-171.6	-64.4	-56.1	172.8	0	0	113.3	N638 T640 F642 A665 Q668 Y669 H673	M633-N638 WeakPolarHBondContact O-CB 3.4Å; M633-T640 PolarHBondContact N-O 3.25Å; M633-F642 HydrophobicContact CE-CB 3.31Å; M633-F642 HydrophobicContact CE-CG 3.99Å; M633-A665 WeakPolarHBondContact CE-O 3.47Å; M633-Q668 HydrophobicContact CE-CB 3.85Å; M633-Q668 HydrophobicContact CE-CG 3.89Å; M633-Y669 WeakPolarHBondContact SD-CA 3.26Å; M633-Y669 VanDerWaalsContact SD-CB 3.5Å; M633-Y669 HydrophobicContact SD-CD2 3.62Å; M633-Y669 HydrophobicContact SD-CG 3.93Å; M633-H673 VanDerWaalsContact C-NE2 3.35Å; M633-H673 PolarHBondContact O-CE1 3.43Å; M633-H673 PolarHBondContact O-NE2 3.44Å
634	D	90.8	Very high	93.2	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	10%	0.101	C	C	.	.			trans	49.8	81.1	-172	-157.4	-22.5	0	0	0	112.9	G607 Q636 Q637 N638 Y669	G607-D634 VanDerWaalsContact CA-OD2 3.25Å; G607-D634 WeakPolarHBondContact CA-OD2 3.39Å; G607-D634 PolarHBondContact N-OD2 3.29Å; D634-Q636 PolarHBondContact O-N 3.23Å; D634-Q636 PolarHBondContact OD1-N 2.99Å; D634-Q637 PolarHBondContact O-N 3.32Å; D634-N638 PolarHBondContact O-N 2.81Å; D634-Y669 HydrophobicContact CB-CE2 4.03Å; D634-Y669 WeakPolarHBondContact CB-OH 3.4Å; D634-Y669 PolarHBondContact OD2-OH 2.87Å
635	L	93	Very high	93.6	Very high	6 Å²	6	16.6 Å²	16.6	3%	0.031	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-9.3	-173.6	-65.6	173	0	0	0	114.7	M600 L603 Y641 M797 L800	M600-L635 HydrophobicContact CE-CB 3.55Å; M600-L635 HydrophobicContact CE-CD1 4.24Å; M600-L635 HydrophobicContact CE-CG 4.33Å; M600-L635 HydrophobicContact SD-CB 4.42Å; L603-L635 HydrophobicContact CD2-CB 3.76Å; L603-L635 HydrophobicContact CD2-CD1 4.48Å; L635-Y641 HydrophobicContact CD2-CE2 3.9Å; L635-M797 HydrophobicContact CD1-CE 3.66Å; L635-M797 HydrophobicContact CD1-SD 4.31Å; L635-L800 HydrophobicContact CD1-CD1 4.02Å
636	Q	84.5	Confident	93.8	Very high	100 Å²	100	18 Å²	18	47%	0.467	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-28.2	170.9	-169.8	-177.4	-9	0	0	112.4	S606 D634	S606-Q636 VanDerWaalsContact CA-OE1 3.23Å; S606-Q636 PolarHBondContact OG-OE1 2.8Å; D634-Q636 PolarHBondContact O-N 3.23Å; D634-Q636 PolarHBondContact OD1-N 2.99Å
637	Q	85.3	Confident	93.7	Very high	124 Å²	124	20.8 Å²	20.8	58%	0.579	11%	0.106	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.4	-35.5	-175.9	-58	-166.2	-34.4	0	0	112.7	D634	D634-Q637 PolarHBondContact O-N 3.32Å
638	N	85.5	Confident	93.3	Very high	39 Å²	39	21.7 Å²	21.7	21%	0.209	11%	0.112	C	C	.	.			trans	-143.3	102.9	-172.5	166.7	2.9	0	0	0	108.5	M633 D634 T640 E672	M633-N638 WeakPolarHBondContact O-CB 3.4Å; D634-N638 PolarHBondContact O-N 2.81Å; N638-T640 PolarHBondContact O-N 3.28Å; N638-T640 WeakPolarHBondContact OD1-CB 3.49Å; N638-T640 VanDerWaalsContact OD1-CG2 3.31Å; N638-T640 WeakPolarHBondContact OD1-CG2 3.37Å; N638-T640 PolarHBondContact OD1-N 2.86Å; N638-T640 PolarHBondContact OD1-OG1 3.36Å; N638-E672 PolarHBondContact ND2-OE2 3.26Å
639	S	89.4	Confident	92.6	Very high	18 Å²	18	24.1 Å²	24.1	13%	0.126	13%	0.129	C	C	.	.			trans	-79	27.6	-170.5	58.6	0	0	0	0	114.5	T597	T597-S639 WeakPolarHBondContact CB-OG 3.28Å; T597-S639 WeakPolarHBondContact CG2-OG 3.47Å; T597-S639 PolarHBondContact OG1-O 3.26Å; T597-S639 VanDerWaalsContact OG1-O 3.11Å; T597-S639 PolarHBondContact OG1-OG 3.08Å
640	T	94.5	Very high	91.3	Very high	27 Å²	27	24.3 Å²	24.3	17%	0.166	13%	0.13	C	C	.	.			trans	-104.7	168.8	-177.4	70.7	0	0	0	0	113.2	M633 N638 K838	M633-T640 PolarHBondContact N-O 3.25Å; N638-T640 PolarHBondContact O-N 3.28Å; N638-T640 WeakPolarHBondContact OD1-CB 3.49Å; N638-T640 VanDerWaalsContact OD1-CG2 3.31Å; N638-T640 WeakPolarHBondContact OD1-CG2 3.37Å; N638-T640 PolarHBondContact OD1-N 2.86Å; N638-T640 PolarHBondContact OD1-OG1 3.36Å; T640-K838 PolarHBondContact OG1-NZ 3.19Å
641	Y	97.8	Very high	89.5	Confident	6 Å²	6	31.2 Å²	31.2	2%	0.024	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	162.1	-177	-66.6	-104.3	0	0	0	110.7	I630 A631 L635 Y802 V813 K838 F840	I630-Y641 HydrophobicContact CG2-CD1 3.96Å; A631-Y641 CarbonylContact O-C 3.57Å; A631-Y641 WeakPolarHBondContact O-CA 3.13Å; A631-Y641 WeakPolarHBondContact O-CB 3.11Å; L635-Y641 HydrophobicContact CD2-CE2 3.9Å; Y641-Y802 HydrophobicContact CE2-CE2 4.33Å; Y641-V813 HydrophobicContact CD1-CG1 4.24Å; Y641-V813 HydrophobicContact CE1-CG1 3.76Å; Y641-K838 WeakPolarHBondContact O-CE 3.36Å; Y641-F840 HydrophobicContact CD2-CE1 4.08Å; Y641-F840 HydrophobicContact CD2-CE2 4.24Å; Y641-F840 AromaticContact CD2-CZ 3.37Å; Y641-F840 HydrophobicContact CD2-CZ 3.37Å; Y641-F840 AromaticContact CE2-CZ 3.91Å; Y641-F840 HydrophobicContact CE2-CZ 3.91Å; Y641-F840 HydrophobicContact CG-CE1 4.24Å; Y641-F840 AromaticContact CG-CZ 3.95Å; Y641-F840 HydrophobicContact CG-CZ 3.95Å
642	F	98.3	Very high	87.8	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.009	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	141.9	171.1	174.5	-96.3	0	0	0	108.7	I630 A631 M633 T644 K664 A665 Q668 E837 K838	I630-F642 CarbonylContact C-O 3.46Å; I630-F642 WeakPolarHBondContact CA-O 3.32Å; A631-F642 PolarHBondContact N-O 3.37Å; A631-F642 PolarHBondContact O-N 3.11Å; M633-F642 HydrophobicContact CE-CB 3.31Å; M633-F642 HydrophobicContact CE-CG 3.99Å; F642-T644 HydrophobicContact CD1-CG2 4.44Å; F642-T644 HydrophobicContact CE1-CG2 3.67Å; F642-T644 HydrophobicContact CZ-CG2 4.42Å; F642-K664 HydrophobicContact CE1-CB 4.11Å; F642-K664 HydrophobicContact CZ-CB 3.9Å; F642-A665 HydrophobicContact CD1-CB 3.67Å; F642-A665 HydrophobicContact CE1-CB 3.9Å; F642-Q668 HydrophobicContact CD2-CB 4.02Å; F642-Q668 HydrophobicContact CD2-CG 3.77Å; F642-Q668 HydrophobicContact CE2-CB 4.18Å; F642-Q668 HydrophobicContact CE2-CG 4.24Å; F642-Q668 HydrophobicContact CG-CG 4.45Å; F642-E837 CarbonylContact C-O 3.5Å; F642-E837 WeakPolarHBondContact CA-O 3.43Å; F642-E837 HydrophobicContact CD2-CB 3.91Å; F642-E837 HydrophobicContact CE2-CB 3.67Å; F642-E837 HydrophobicContact CE2-CG 4.02Å; F642-E837 VanDerWaalsContact CE2-OE2 3.24Å; F642-E837 WeakPolarHBondContact CE2-OE2 3.42Å; F642-E837 HydrophobicContact CZ-CB 4.45Å; F642-E837 HydrophobicContact CZ-CG 4.37Å; F642-K838 HydrophobicContact CD2-CD 4.48Å
643	S	97.8	Very high	86	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.014	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	123.9	-174.8	61.3	0	0	0	0	111.4	L629 E837	L629-S643 WeakPolarHBondContact O-CA 3.14Å; S643-E837 PolarHBondContact N-O 3.41Å; S643-E837 WeakPolarHBondContact O-CG 3.42Å; S643-E837 PolarHBondContact OG-O 3.38Å
644	T	96.8	Very high	84.3	Confident	8 Å²	8	40.1 Å²	40.1	5%	0.049	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	152.6	-179.1	-177	0	0	0	0	110.1	A628 L629 F642 M661 K664	A628-T644 WeakPolarHBondContact CA-O 3.31Å; L629-T644 HydrophobicContact CB-CG2 4.14Å; L629-T644 HydrophobicContact CD2-CG2 4.23Å; L629-T644 PolarHBondContact N-O 3.24Å; L629-T644 PolarHBondContact O-N 3.1Å; F642-T644 HydrophobicContact CD1-CG2 4.44Å; F642-T644 HydrophobicContact CE1-CG2 3.67Å; F642-T644 HydrophobicContact CZ-CG2 4.42Å; T644-M661 HydrophobicContact CG2-CB 3.55Å; T644-M661 HydrophobicContact CG2-CG 3.63Å; T644-M661 HydrophobicContact CG2-SD 4Å; T644-K664 PolarHBondContact OG1-NZ 3.26Å
645	V	95.4	Very high	82.8	Confident	10 Å²	10	40.6 Å²	40.6	6%	0.061	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	145.8	-178.8	-170.6	0	0	0	0	109.7	G627 A628 L820 V824	G627-V645 WeakPolarHBondContact O-CA 3.47Å; G627-V645 WeakPolarHBondContact O-CG1 3.22Å; A628-V645 HydrophobicContact CB-CG2 4.02Å; V645-L820 HydrophobicContact CG2-CD1 3.75Å; V645-L820 HydrophobicContact CG2-CD2 3.53Å; V645-L820 HydrophobicContact CG2-CG 3.47Å; V645-L820 VanDerWaalsContact CG2-CG 3.47Å; V645-V824 HydrophobicContact CG1-CB 4.45Å; V645-V824 HydrophobicContact CG1-CG1 4.29Å; V645-V824 HydrophobicContact CG1-CG2 4.17Å; V645-V824 HydrophobicContact CG2-CG2 4.24Å
646	T	92.8	Very high	81.4	Confident	30 Å²	30	46.6 Å²	46.6	18%	0.184	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	153.7	169.7	-167.9	0	0	0	0	110.5	Y626 G627 T657 M661	Y626-T646 VanDerWaalsContact CA-O 3.31Å; Y626-T646 WeakPolarHBondContact CA-O 3.41Å; G627-T646 PolarHBondContact N-O 3.31Å; G627-T646 PolarHBondContact O-N 2.69Å; T646-T657 WeakPolarHBondContact CG2-OG1 3.38Å; T646-M661 HydrophobicContact CG2-CE 3.51Å; T646-M661 HydrophobicContact CG2-SD 3.78Å
647	E	90.3	Very high	81.1	Confident	62 Å²	62	44.4 Å²	44.4	29%	0.29	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	150.1	164.4	-164.5	172.7	123.4	0	0	109.7	R624 A625 Y626	R624-E647 HydrophobicContact CB-CG 4.48Å; R624-E647 WeakPolarHBondContact CD-OE1 3.5Å; R624-E647 WeakPolarHBondContact CG-OE1 3.31Å; R624-E647 IonicContact CZ-OE1 3.13Å; R624-E647 IonicContact NE-OE1 2.76Å; R624-E647 IonicContact NH1-OE1 2.71Å; R624-E647 PolarHBondContact NH1-OE1 3.39Å; R624-E647 IonicContact NH1-OE2 2.7Å; R624-E647 PolarHBondContact NH1-OE2 2.73Å; A625-E647 CarbonylContact O-C 3.28Å; A625-E647 WeakPolarHBondContact O-CA 3.44Å; Y626-E647 HydrophobicContact CD1-CB 4.02Å; Y626-E647 HydrophobicContact CD1-CG 4.13Å; Y626-E647 HydrophobicContact CE1-CB 3.85Å; Y626-E647 HydrophobicContact CE1-CG 3.75Å; Y626-E647 WeakPolarHBondContact CE1-OE2 3.19Å; Y626-E647 PolarHBondContact OH-OE2 2.91Å
648	C	84	Confident	81.3	Confident	21 Å²	21	38.7 Å²	38.7	14%	0.142	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	166	174.1	67.2	0	0	0	0	110.8	A625	A625-C648 PolarHBondContact N-O 3.34Å; A625-C648 PolarHBondContact O-N 3.08Å
649	S	79.3	Confident	81.7	Confident	50 Å²	50	38.3 Å²	38.3	35%	0.35	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	140.7	172.8	175.8	0	0	0	0	110.5	F651 D652	S649-F651 PolarHBondContact O-N 2.65Å; S649-F651 PolarHBondContact OG-N 3.1Å; S649-D652 WeakPolarHBondContact CB-O 3.39Å; S649-D652 VanDerWaalsContact O-O 3.07Å; S649-D652 PolarHBondContact OG-N 2.92Å
650	A	69.7	Low	81.9	Confident	4 Å²	4	40.9 Å²	40.9	3%	0.033	23%	0.225	C	C	.	.	S	Bend	trans	-80.6	-3	172.2	0	0	0	0	0	113.2	K617 R622 K623 A625	K617-A650 HydrophobicContact CD-CB 4.34Å; K617-A650 PolarHBondContact NZ-O 3.19Å; R622-A650 VanDerWaalsContact O-CB 3.32Å; R622-A650 WeakPolarHBondContact O-CB 3.5Å; K623-A650 VanDerWaalsContact C-CB 3.44Å; K623-A650 VanDerWaalsContact O-CB 3.27Å; K623-A650 WeakPolarHBondContact O-CB 3.43Å; K623-A650 PolarHBondContact O-N 2.76Å; A625-A650 HydrophobicContact CB-CB 4.3Å
651	F	60.4	Low	81.9	Confident	145 Å²	145	39.8 Å²	39.8	64%	0.636	22%	0.218	S	C	*	.	S	Bend	trans	-109.9	-39.7	176.7	-53.8	-72.2	0	0	0	112	K623 S649	K623-F651 HydrophobicContact CB-CE2 3.96Å; K623-F651 HydrophobicContact CG-CE2 3.94Å; K623-F651 HydrophobicContact CG-CZ 4.39Å; S649-F651 PolarHBondContact O-N 2.65Å; S649-F651 PolarHBondContact OG-N 3.1Å
652	D	63.9	Low	81.9	Confident	84 Å²	84	39.7 Å²	39.7	45%	0.449	22%	0.218	S	C	.	.			trans	-107.4	98.4	170.8	-174.7	11.4	0	0	0	109.6	S649 L654	S649-D652 WeakPolarHBondContact CB-O 3.39Å; S649-D652 VanDerWaalsContact O-O 3.07Å; S649-D652 PolarHBondContact OG-N 2.92Å; D652-L654 PolarHBondContact OD1-N 2.9Å
653	V	59.9	Low	81.8	Confident	56 Å²	56	39.9 Å²	39.9	34%	0.339	22%	0.22	S	C	.	.			trans	-101.5	5.8	-173.3	-169.3	0	0	0	0	110.3	I615	I615-V653 HydrophobicContact CD1-CG1 3.4Å; I615-V653 VanDerWaalsContact CD1-CG1 3.4Å; I615-V653 HydrophobicContact CG2-CG1 4.38Å
654	L	60.2	Low	81.7	Confident	48 Å²	48	43.1 Å²	43.1	25%	0.251	23%	0.234	S	C	.	.	S	Bend	trans	-94.8	116.2	-169.5	-66.4	168.8	0	0	0	111.9	D652 N656 Q694 F698	D652-L654 PolarHBondContact OD1-N 2.9Å; L654-N656 VanDerWaalsContact C-N 3.3Å; L654-N656 PolarHBondContact O-N 2.93Å; L654-Q694 HydrophobicContact CD1-CB 4.43Å; L654-Q694 HydrophobicContact CD2-CB 4.41Å; L654-F698 HydrophobicContact CB-CB 4.44Å; L654-F698 HydrophobicContact CD1-CD2 3.93Å; L654-F698 HydrophobicContact CD1-CE2 4.36Å
655	A	59.4	Low	81.8	Confident	11 Å²	11	42.8 Å²	42.8	9%	0.091	23%	0.232	C	C	.	.	S	Bend	trans	57.8	-44	156.2	0	0	0	0	0	121.3	T657 L658 F698 E699	A655-T657 VanDerWaalsContact C-N 3.25Å; A655-T657 PolarHBondContact O-N 2.86Å; A655-L658 VanDerWaalsContact O-CB 3.31Å; A655-L658 WeakPolarHBondContact O-CB 3.35Å; A655-L658 PolarHBondContact O-N 3.44Å; A655-F698 HydrophobicContact CB-CB 4.2Å; A655-F698 WeakPolarHBondContact CB-O 3.45Å; A655-E699 HydrophobicContact CB-CG 3.86Å
656	N	63.7	Low	81.9	Confident	132 Å²	132	42.5 Å²	42.5	71%	0.706	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-29.7	-160.7	-82.4	-36.9	0	0	0	115.4	L654	L654-N656 VanDerWaalsContact C-N 3.3Å; L654-N656 PolarHBondContact O-N 2.93Å
657	T	79.2	Confident	82.1	Confident	54 Å²	54	47.9 Å²	47.9	33%	0.331	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-2.3	176.8	61.8	0	0	0	0	114.5	T646 A655	T646-T657 WeakPolarHBondContact CG2-OG1 3.38Å; A655-T657 VanDerWaalsContact C-N 3.25Å; A655-T657 PolarHBondContact O-N 2.86Å
658	L	89.3	Confident	82.5	Confident	4 Å²	4	47.4 Å²	47.4	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-73.4	-45.3	179.7	176.1	56.3	0	0	0	112	F613 L629 A655 M661 I662 F682 E699 I703	F613-L658 HydrophobicContact CD1-CD1 3.88Å; F613-L658 HydrophobicContact CD1-CD2 4.27Å; F613-L658 HydrophobicContact CD2-CD1 4Å; F613-L658 HydrophobicContact CE1-CD1 3.9Å; F613-L658 HydrophobicContact CE1-CD2 4.22Å; F613-L658 HydrophobicContact CE1-CG 4.48Å; F613-L658 HydrophobicContact CE2-CD1 4.04Å; F613-L658 HydrophobicContact CG-CD1 3.96Å; F613-L658 HydrophobicContact CZ-CD1 4Å; L629-L658 HydrophobicContact CD1-CD1 3.81Å; A655-L658 VanDerWaalsContact O-CB 3.31Å; A655-L658 WeakPolarHBondContact O-CB 3.35Å; A655-L658 PolarHBondContact O-N 3.44Å; L658-M661 HydrophobicContact CD1-CE 4.21Å; L658-M661 WeakPolarHBondContact O-CB 3.37Å; L658-M661 PolarHBondContact O-N 2.58Å; L658-M661 VanDerWaalsContact O-N 3.1Å; L658-I662 HydrophobicContact CD1-CD1 4.23Å; L658-I662 HydrophobicContact CD1-CG1 4.34Å; L658-I662 HydrophobicContact CG-CD1 3.98Å; L658-I662 PolarHBondContact O-N 3.47Å; L658-F682 HydrophobicContact CD1-CE2 4.37Å; L658-F682 HydrophobicContact CD1-CZ 4.09Å; L658-F682 HydrophobicContact CD2-CZ 4.07Å; L658-E699 HydrophobicContact CD2-CG 4.09Å; L658-I703 HydrophobicContact CD2-CD1 4.02Å
659	W	93.1	Very high	83.1	Confident	30 Å²	30	46.4 Å²	46.4	11%	0.114	24%	0.238	C	C	.	.	H	α-helix	trans	-57.4	-46.3	-174.5	175.6	-101.1	0	0	0	114.6	M661 I662 A663 L666 K706 L707 E710	W659-M661 PolarHBondContact O-N 2.67Å; W659-M661 VanDerWaalsContact O-N 3.12Å; W659-I662 HydrophobicContact CE3-CB 4.19Å; W659-I662 HydrophobicContact CE3-CD1 4.31Å; W659-I662 HydrophobicContact CE3-CG2 4.27Å; W659-I662 HydrophobicContact CH2-CG2 4.35Å; W659-I662 HydrophobicContact CZ3-CB 4.28Å; W659-I662 HydrophobicContact CZ3-CG2 3.85Å; W659-I662 WeakPolarHBondContact O-CB 3.45Å; W659-I662 PolarHBondContact O-N 2.9Å; W659-A663 HydrophobicContact CZ2-CB 4.19Å; W659-A663 PolarHBondContact O-N 3.5Å; W659-L666 HydrophobicContact CH2-CD1 4.35Å; W659-K706 HydrophobicContact CB-CD 4.07Å; W659-K706 HydrophobicContact CD2-CB 3.63Å; W659-K706 HydrophobicContact CD2-CD 3.54Å; W659-K706 HydrophobicContact CD2-CG 4.22Å; W659-K706 HydrophobicContact CE3-CB 3.61Å; W659-K706 HydrophobicContact CE3-CD 4.06Å; W659-K706 HydrophobicContact CE3-CG 4.49Å; W659-K706 HydrophobicContact CG-CB 4.45Å; W659-K706 HydrophobicContact CG-CD 3.45Å; W659-K706 VanDerWaalsContact CG-CD 3.45Å; W659-K706 VanDerWaalsContact CH2-C 3.45Å; W659-K706 HydrophobicContact CH2-CB 3.59Å; W659-K706 WeakPolarHBondContact CH2-O 3.39Å; W659-K706 HydrophobicContact CZ2-CB 3.6Å; W659-K706 HydrophobicContact CZ3-CB 3.59Å; W659-L707 HydrophobicContact CH2-CD2 4.31Å; W659-L707 HydrophobicContact CH2-CG 4.4Å; W659-L707 HydrophobicContact CZ3-CD2 4.42Å; W659-L707 HydrophobicContact CZ3-CG 4.22Å; W659-E710 HydrophobicContact CH2-CG 3.96Å; W659-E710 HydrophobicContact CZ2-CG 3.49Å; W659-E710 VanDerWaalsContact CZ2-CG 3.49Å
660	P	93.6	Very high	83.9	Confident	72 Å²	72	47 Å²	47	47%	0.468	24%	0.235	S	C	.	.	H	α-helix	trans	-55.6	-31.5	176.8	-27.9	36.2	0	0	0	114.1	K664	P660-K664 WeakPolarHBondContact O-CG 3.18Å; P660-K664 PolarHBondContact O-N 3.47Å
661	M	95.6	Very high	85.2	Confident	5 Å²	5	52.6 Å²	52.6	3%	0.025	26%	0.26	C	S	.	.	H	α-helix	trans	-72.4	-37.8	176.3	-67.1	-171	-68.3	0	0	112.5	F613 L629 T644 T646 L658 W659 A665	F613-M661 HydrophobicContact CD2-CE 4.36Å; F613-M661 HydrophobicContact CE2-CE 3.6Å; F613-M661 HydrophobicContact CZ-CE 4.2Å; L629-M661 HydrophobicContact CB-CB 3.96Å; L629-M661 HydrophobicContact CB-CE 4.26Å; L629-M661 HydrophobicContact CB-SD 4.03Å; L629-M661 HydrophobicContact CD1-CB 3.98Å; L629-M661 HydrophobicContact CG-CB 4.37Å; T644-M661 HydrophobicContact CG2-CB 3.55Å; T644-M661 HydrophobicContact CG2-CG 3.63Å; T644-M661 HydrophobicContact CG2-SD 4Å; T646-M661 HydrophobicContact CG2-CE 3.51Å; T646-M661 HydrophobicContact CG2-SD 3.78Å; L658-M661 HydrophobicContact CD1-CE 4.21Å; L658-M661 WeakPolarHBondContact O-CB 3.37Å; L658-M661 PolarHBondContact O-N 2.58Å; L658-M661 VanDerWaalsContact O-N 3.1Å; W659-M661 PolarHBondContact O-N 2.67Å; W659-M661 VanDerWaalsContact O-N 3.12Å; M661-A665 WeakPolarHBondContact O-CB 3.3Å; M661-A665 PolarHBondContact O-N 3.33Å; M661-A665 VanDerWaalsContact O-N 3.11Å
662	I	96.7	Very high	86.9	Confident	3 Å²	3	48.4 Å²	48.4	2%	0.015	24%	0.243	C	C	.	.	H	α-helix	trans	-65	-46.6	173	-62.1	171.4	0	0	0	109.8	L629 L658 W659 K664 A665 L666 F682 I703	L629-I662 HydrophobicContact CD1-CG1 3.63Å; L658-I662 HydrophobicContact CD1-CD1 4.23Å; L658-I662 HydrophobicContact CD1-CG1 4.34Å; L658-I662 HydrophobicContact CG-CD1 3.98Å; L658-I662 PolarHBondContact O-N 3.47Å; W659-I662 HydrophobicContact CE3-CB 4.19Å; W659-I662 HydrophobicContact CE3-CD1 4.31Å; W659-I662 HydrophobicContact CE3-CG2 4.27Å; W659-I662 HydrophobicContact CH2-CG2 4.35Å; W659-I662 HydrophobicContact CZ3-CB 4.28Å; W659-I662 HydrophobicContact CZ3-CG2 3.85Å; W659-I662 WeakPolarHBondContact O-CB 3.45Å; W659-I662 PolarHBondContact O-N 2.9Å; I662-K664 PolarHBondContact O-N 2.88Å; I662-A665 PolarHBondContact O-N 3.06Å; I662-A665 VanDerWaalsContact O-N 3.13Å; I662-L666 HydrophobicContact CG2-CD1 3.95Å; I662-L666 HydrophobicContact CG2-CG 4.32Å; I662-L666 WeakPolarHBondContact O-CG 3.45Å; I662-L666 PolarHBondContact O-N 3.18Å; I662-F682 HydrophobicContact CD1-CE2 4Å; I662-F682 HydrophobicContact CG1-CE2 4.38Å; I662-I703 HydrophobicContact CD1-CD1 3.75Å; I662-I703 HydrophobicContact CD1-CG1 3.75Å
663	A	96.5	Very high	88.4	Confident	7 Å²	7	45.6 Å²	45.6	6%	0.058	23%	0.227	C	C	.	.	H	α-helix	trans	-61	-42.2	178.5	0	0	0	0	0	112.7	W659 L666 R667	W659-A663 HydrophobicContact CZ2-CB 4.19Å; W659-A663 PolarHBondContact O-N 3.5Å; A663-L666 PolarHBondContact O-N 2.99Å; A663-R667 VanDerWaalsContact O-CG 3.28Å; A663-R667 WeakPolarHBondContact O-CG 3.47Å; A663-R667 PolarHBondContact O-N 3.43Å
664	K	96.9	Very high	90	Very high	70 Å²	70	52.6 Å²	52.6	30%	0.304	25%	0.247	S	C	.	.	H	α-helix	trans	-58.5	-46.4	171.4	-76.6	176.9	70.9	-169.6	0	111.7	F642 T644 P660 I662 R667 Q668 E837	F642-K664 HydrophobicContact CE1-CB 4.11Å; F642-K664 HydrophobicContact CZ-CB 3.9Å; T644-K664 PolarHBondContact OG1-NZ 3.26Å; P660-K664 WeakPolarHBondContact O-CG 3.18Å; P660-K664 PolarHBondContact O-N 3.47Å; I662-K664 PolarHBondContact O-N 2.88Å; K664-R667 PolarHBondContact O-N 3.16Å; K664-Q668 PolarHBondContact O-N 3.2Å; K664-E837 WeakPolarHBondContact CE-OE1 3.28Å; K664-E837 IonicContact NZ-OE1 2.92Å; K664-E837 PolarHBondContact NZ-OE1 3.01Å
665	A	98	Very high	91.7	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-66.3	-38.1	-179.2	0	0	0	0	0	112.8	M609 L629 A631 M633 F642 M661 I662 Q668 Y669	M609-A665 HydrophobicContact CE-CB 3.38Å; L629-A665 HydrophobicContact CD2-CB 4.15Å; A631-A665 HydrophobicContact CB-CB 3.8Å; M633-A665 WeakPolarHBondContact CE-O 3.47Å; F642-A665 HydrophobicContact CD1-CB 3.67Å; F642-A665 HydrophobicContact CE1-CB 3.9Å; M661-A665 WeakPolarHBondContact O-CB 3.3Å; M661-A665 PolarHBondContact O-N 3.33Å; M661-A665 VanDerWaalsContact O-N 3.11Å; I662-A665 PolarHBondContact O-N 3.06Å; I662-A665 VanDerWaalsContact O-N 3.13Å; A665-Q668 PolarHBondContact O-N 3.09Å; A665-Y669 WeakPolarHBondContact O-CB 3.16Å; A665-Y669 PolarHBondContact O-N 3.38Å
666	L	98.1	Very high	93.5	Very high	5 Å²	5	54.7 Å²	54.7	3%	0.026	25%	0.253	C	S	.	.	H	α-helix	trans	-64.3	-43.3	174.2	-72.6	169.7	0	0	0	111.9	M609 W659 I662 A663 Y669 Q670 L676 P677 I680 L707 Y711	M609-L666 HydrophobicContact CE-CD2 4.31Å; M609-L666 HydrophobicContact CE-CG 4.47Å; M609-L666 HydrophobicContact SD-CD2 3.77Å; W659-L666 HydrophobicContact CH2-CD1 4.35Å; I662-L666 HydrophobicContact CG2-CD1 3.95Å; I662-L666 HydrophobicContact CG2-CG 4.32Å; I662-L666 WeakPolarHBondContact O-CG 3.45Å; I662-L666 PolarHBondContact O-N 3.18Å; A663-L666 PolarHBondContact O-N 2.99Å; L666-Y669 WeakPolarHBondContact O-CB 3.49Å; L666-Y669 PolarHBondContact O-N 2.95Å; L666-Q670 WeakPolarHBondContact O-CB 3.43Å; L666-Q670 PolarHBondContact O-N 2.87Å; L666-L676 HydrophobicContact CB-CD2 4.17Å; L666-L676 HydrophobicContact CD2-CD2 4.35Å; L666-P677 HydrophobicContact CD2-CG 3.77Å; L666-I680 HydrophobicContact CD2-CD1 4.08Å; L666-L707 HydrophobicContact CD1-CD2 3.77Å; L666-Y711 HydrophobicContact CD1-CE2 4.37Å; L666-Y711 HydrophobicContact CD2-CE2 4.28Å
667	R	97.3	Very high	95.1	Very high	143 Å²	143	48.4 Å²	48.4	54%	0.54	22%	0.219	S	C	.	.	H	α-helix	trans	-63.6	-40.9	176.2	-69.7	169.9	-168.1	-176.4	4.2	111.9	A663 K664 Q670 H671 E710	A663-R667 VanDerWaalsContact O-CG 3.28Å; A663-R667 WeakPolarHBondContact O-CG 3.47Å; A663-R667 PolarHBondContact O-N 3.43Å; K664-R667 PolarHBondContact O-N 3.16Å; R667-Q670 PolarHBondContact O-N 3.47Å; R667-H671 WeakPolarHBondContact O-CB 3.36Å; R667-H671 PolarHBondContact O-N 3.3Å; R667-E710 IonicContact NH2-OE1 3.64Å
668	Q	97.6	Very high	95.9	Very high	51 Å²	51	49.2 Å²	49.2	24%	0.238	23%	0.227	C	C	.	.	H	α-helix	trans	-65.4	-40.5	175.3	-172	63	30	0	0	111.9	M633 F642 K664 A665 H671 E672 K838	M633-Q668 HydrophobicContact CE-CB 3.85Å; M633-Q668 HydrophobicContact CE-CG 3.89Å; F642-Q668 HydrophobicContact CD2-CB 4.02Å; F642-Q668 HydrophobicContact CD2-CG 3.77Å; F642-Q668 HydrophobicContact CE2-CB 4.18Å; F642-Q668 HydrophobicContact CE2-CG 4.24Å; F642-Q668 HydrophobicContact CG-CG 4.45Å; K664-Q668 PolarHBondContact O-N 3.2Å; A665-Q668 PolarHBondContact O-N 3.09Å; Q668-H671 PolarHBondContact O-N 3.12Å; Q668-E672 WeakPolarHBondContact CG-OE1 3.4Å; Q668-E672 PolarHBondContact NE2-OE1 3.47Å; Q668-E672 PolarHBondContact O-N 3.24Å; Q668-E672 VanDerWaalsContact O-N 3.07Å; Q668-K838 HydrophobicContact CG-CD 4.21Å
669	Y	97.4	Very high	96.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.5	-49	173.3	-170.4	-71.4	0	0	0	110.8	G607 M609 M633 D634 A665 L666 H671 E672 H673 K675 P677	G607-Y669 WeakPolarHBondContact CA-OH 3.45Å; M609-Y669 HydrophobicContact CB-CD2 4.24Å; M609-Y669 HydrophobicContact CB-CE2 4.14Å; M609-Y669 HydrophobicContact CG-CD2 4.35Å; M633-Y669 WeakPolarHBondContact SD-CA 3.26Å; M633-Y669 VanDerWaalsContact SD-CB 3.5Å; M633-Y669 HydrophobicContact SD-CD2 3.62Å; M633-Y669 HydrophobicContact SD-CG 3.93Å; D634-Y669 HydrophobicContact CB-CE2 4.03Å; D634-Y669 WeakPolarHBondContact CB-OH 3.4Å; D634-Y669 PolarHBondContact OD2-OH 2.87Å; A665-Y669 WeakPolarHBondContact O-CB 3.16Å; A665-Y669 PolarHBondContact O-N 3.38Å; L666-Y669 WeakPolarHBondContact O-CB 3.49Å; L666-Y669 PolarHBondContact O-N 2.95Å; Y669-H671 VanDerWaalsContact C-N 3.3Å; Y669-H671 PolarHBondContact O-N 3.31Å; Y669-E672 PolarHBondContact O-N 3.13Å; Y669-H673 HydrophobicContact CD1-CB 4.16Å; Y669-H673 HydrophobicContact CE1-CB 3.98Å; Y669-H673 WeakPolarHBondContact O-CB 3.49Å; Y669-H673 PolarHBondContact O-N 3Å; Y669-K675 VanDerWaalsContact CD1-O 3.25Å; Y669-K675 WeakPolarHBondContact CD1-O 3.47Å; Y669-K675 WeakPolarHBondContact CE1-O 3.47Å; Y669-P677 HydrophobicContact CD1-CB 4.27Å; Y669-P677 HydrophobicContact CD1-CG 4.2Å; Y669-P677 HydrophobicContact CD2-CB 4.24Å; Y669-P677 HydrophobicContact CD2-CG 4.29Å; Y669-P677 HydrophobicContact CE1-CB 3.81Å; Y669-P677 HydrophobicContact CE1-CG 4.24Å; Y669-P677 HydrophobicContact CE2-CB 3.78Å; Y669-P677 HydrophobicContact CE2-CG 4.34Å; Y669-P677 HydrophobicContact CG-CB 4.47Å; Y669-P677 HydrophobicContact CG-CG 4.23Å
670	Q	96.5	Very high	96.6	Very high	63 Å²	63	51.1 Å²	51.1	29%	0.294	23%	0.234	S	C	.	.	H	α-helix	trans	-64	-33.4	178.5	-169.1	-179.1	8.1	0	0	112.7	L666 R667 R674 K675 L676	L666-Q670 WeakPolarHBondContact O-CB 3.43Å; L666-Q670 PolarHBondContact O-N 2.87Å; R667-Q670 PolarHBondContact O-N 3.47Å; Q670-R674 WeakPolarHBondContact O-CA 3.4Å; Q670-R674 PolarHBondContact O-N 3.04Å; Q670-K675 WeakPolarHBondContact CA-O 3.39Å; Q670-L676 HydrophobicContact CB-CD2 4.09Å; Q670-L676 HydrophobicContact CG-CG 4.49Å
671	H	96.3	Very high	96.8	Very high	121 Å²	121	47.7 Å²	47.7	56%	0.56	21%	0.212	S	C	*	.	H	α-helix	trans	-65.6	-46.4	175	-176.5	90	0	0	0	111.9	R667 Q668 Y669	R667-H671 WeakPolarHBondContact O-CB 3.36Å; R667-H671 PolarHBondContact O-N 3.3Å; Q668-H671 PolarHBondContact O-N 3.12Å; Y669-H671 VanDerWaalsContact C-N 3.3Å; Y669-H671 PolarHBondContact O-N 3.31Å
672	E	95.2	Very high	96.9	Very high	57 Å²	57	47.5 Å²	47.5	27%	0.266	21%	0.211	S	C	.	.	H	α-helix	trans	-73.7	-38.1	-179.5	-73.7	173	-136.7	0	0	113.2	N638 Q668 Y669 K838	N638-E672 PolarHBondContact ND2-OE2 3.26Å; Q668-E672 WeakPolarHBondContact CG-OE1 3.4Å; Q668-E672 PolarHBondContact NE2-OE1 3.47Å; Q668-E672 PolarHBondContact O-N 3.24Å; Q668-E672 VanDerWaalsContact O-N 3.07Å; Y669-E672 PolarHBondContact O-N 3.13Å; E672-K838 WeakPolarHBondContact OE1-CD 3.5Å; E672-K838 VanDerWaalsContact OE1-CE 3.26Å; E672-K838 WeakPolarHBondContact OE1-CE 3.26Å; E672-K838 IonicContact OE1-NZ 3.31Å; E672-K838 PolarHBondContact OE1-NZ 3.18Å; E672-K838 IonicContact OE2-NZ 2.96Å; E672-K838 PolarHBondContact OE2-NZ 3.31Å
673	H	95	Very high	97	Very high	25 Å²	25	47.4 Å²	47.4	12%	0.116	21%	0.21	C	C	.	.	H	α-helix	trans	-106.7	-3.5	-171.3	-71.6	-76.9	0	0	0	115.2	M633 Y669 K675	M633-H673 VanDerWaalsContact C-NE2 3.35Å; M633-H673 PolarHBondContact O-CE1 3.43Å; M633-H673 PolarHBondContact O-NE2 3.44Å; Y669-H673 HydrophobicContact CD1-CB 4.16Å; Y669-H673 HydrophobicContact CE1-CB 3.98Å; Y669-H673 WeakPolarHBondContact O-CB 3.49Å; Y669-H673 PolarHBondContact O-N 3Å; H673-K675 HydrophobicContact CB-CG 4.07Å; H673-K675 WeakPolarHBondContact O-CG 3.47Å; H673-K675 PolarHBondContact O-N 3.06Å
674	R	95.3	Very high	96.9	Very high	204 Å²	204	47.5 Å²	47.5	77%	0.77	21%	0.209	S	C	*	.	S	Bend	trans	57.1	6.8	-173.2	-52.1	-55.6	-176.3	168.9	-0.2	115.7	Q670	Q670-R674 WeakPolarHBondContact O-CA 3.4Å; Q670-R674 PolarHBondContact O-N 3.04Å
675	K	95.1	Very high	96.4	Very high	90 Å²	90	44.4 Å²	44.4	39%	0.391	20%	0.196	S	C	.	.	S	Bend	trans	-141.3	153.5	-178.8	70.5	-157.8	175.6	-164.3	0	109.8	Y669 Q670 H673	Y669-K675 VanDerWaalsContact CD1-O 3.25Å; Y669-K675 WeakPolarHBondContact CD1-O 3.47Å; Y669-K675 WeakPolarHBondContact CE1-O 3.47Å; Q670-K675 WeakPolarHBondContact CA-O 3.39Å; H673-K675 HydrophobicContact CB-CG 4.07Å; H673-K675 WeakPolarHBondContact O-CG 3.47Å; H673-K675 PolarHBondContact O-N 3.06Å
676	L	97.4	Very high	95.2	Very high	13 Å²	13	47.1 Å²	47.1	7%	0.068	22%	0.224	C	C	.	.			trans	-77.3	156.1	168.9	-75.1	170.3	0	0	0	110.9	L666 Q670 S678 Y711 V714	L666-L676 HydrophobicContact CB-CD2 4.17Å; L666-L676 HydrophobicContact CD2-CD2 4.35Å; Q670-L676 HydrophobicContact CB-CD2 4.09Å; Q670-L676 HydrophobicContact CG-CG 4.49Å; L676-S678 PolarHBondContact O-N 2.89Å; L676-Y711 HydrophobicContact CB-CD1 4.34Å; L676-Y711 HydrophobicContact CB-CE1 3.65Å; L676-Y711 HydrophobicContact CD1-CD1 3.96Å; L676-Y711 HydrophobicContact CD1-CD2 4.04Å; L676-Y711 HydrophobicContact CD1-CE1 3.98Å; L676-Y711 HydrophobicContact CD1-CE2 4.06Å; L676-Y711 HydrophobicContact CD1-CG 3.99Å; L676-Y711 HydrophobicContact CG-CE1 4.4Å; L676-V714 HydrophobicContact CD1-CB 4.36Å; L676-V714 HydrophobicContact CD1-CG2 3.85Å
677	P	97.4	Very high	94.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.228	C	C	.	.			trans	-69.4	128.3	178.3	23.8	-28.3	0	0	0	111.4	G607 M609 L666 Y669 R679 I680 Y711	G607-P677 CarbonylContact O-C 3.53Å; M609-P677 HydrophobicContact CB-CB 3.67Å; M609-P677 HydrophobicContact CB-CG 3.81Å; M609-P677 HydrophobicContact CG-CG 4.41Å; M609-P677 HydrophobicContact SD-CG 3.78Å; L666-P677 HydrophobicContact CD2-CG 3.77Å; Y669-P677 HydrophobicContact CD1-CB 4.27Å; Y669-P677 HydrophobicContact CD1-CG 4.2Å; Y669-P677 HydrophobicContact CD2-CB 4.24Å; Y669-P677 HydrophobicContact CD2-CG 4.29Å; Y669-P677 HydrophobicContact CE1-CB 3.81Å; Y669-P677 HydrophobicContact CE1-CG 4.24Å; Y669-P677 HydrophobicContact CE2-CB 3.78Å; Y669-P677 HydrophobicContact CE2-CG 4.34Å; Y669-P677 HydrophobicContact CG-CB 4.47Å; Y669-P677 HydrophobicContact CG-CG 4.23Å; P677-R679 PolarHBondContact O-N 3.24Å; P677-I680 HydrophobicContact CG-CD1 4.5Å; P677-I680 HydrophobicContact CG-CG1 4.29Å; P677-Y711 WeakPolarHBondContact CD-OH 3.26Å; P677-Y711 WeakPolarHBondContact CG-OH 3.15Å; P677-Y711 PolarHBondContact O-OH 2.85Å
678	S	96.4	Very high	92.8	Very high	70 Å²	70	44 Å²	44	49%	0.49	22%	0.224	S	C	.	.	S	Bend	trans	-66.2	-23.2	174.9	-43.9	0	0	0	0	112.8	G607 L676 Q720	G607-S678 PolarHBondContact O-N 2.92Å; G607-S678 VanDerWaalsContact O-N 3.11Å; L676-S678 PolarHBondContact O-N 2.89Å; S678-Q720 PolarHBondContact O-N 2.85Å
679	R	97.2	Very high	91.3	Very high	72 Å²	72	45.7 Å²	45.7	27%	0.272	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	133.7	-173.1	-57	-176.3	177.4	104.9	0.5	111.5	S606 G607 L608 M609 P677 Q720 M783	S606-R679 PolarHBondContact O-NH1 2.6Å; G607-R679 PolarHBondContact O-N 3.3Å; L608-R679 HydrophobicContact CD1-CB 3.88Å; M609-R679 PolarHBondContact N-O 3.26Å; P677-R679 PolarHBondContact O-N 3.24Å; R679-Q720 CarbonylContact C-O 3.33Å; R679-Q720 WeakPolarHBondContact CA-O 3.2Å; R679-Q720 HydrophobicContact CG-CB 4.24Å; R679-M783 HydrophobicContact CB-CE 4.12Å; R679-M783 HydrophobicContact CB-SD 4.23Å; R679-M783 HydrophobicContact CG-CE 4.43Å
680	I	98.4	Very high	89.9	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.015	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	124	177.2	-56.1	-178.9	0	0	0	109.4	M609 I611 L666 P677 L707 P719 Q720 L721 A722	M609-I680 HydrophobicContact CB-CG1 4.46Å; M609-I680 WeakPolarHBondContact O-CA 3.46Å; M609-I680 HydrophobicContact SD-CD1 4.48Å; M609-I680 HydrophobicContact SD-CG1 4.45Å; I611-I680 HydrophobicContact CD1-CG2 3.8Å; I611-I680 HydrophobicContact CG1-CG2 4.36Å; L666-I680 HydrophobicContact CD2-CD1 4.08Å; P677-I680 HydrophobicContact CG-CD1 4.5Å; P677-I680 HydrophobicContact CG-CG1 4.29Å; I680-L707 HydrophobicContact CD1-CD1 4.19Å; I680-L707 HydrophobicContact CD1-CD2 3.75Å; I680-P719 HydrophobicContact CD1-CB 4.28Å; I680-P719 HydrophobicContact CD1-CG 3.73Å; I680-P719 HydrophobicContact CG1-CB 4.3Å; I680-P719 HydrophobicContact CG1-CG 4.24Å; I680-Q720 PolarHBondContact N-O 2.88Å; I680-L721 HydrophobicContact CB-CD1 3.98Å; I680-L721 HydrophobicContact CG2-CD1 3.84Å; I680-L721 CarbonylContact O-C 3.51Å; I680-L721 WeakPolarHBondContact O-CA 3.27Å; I680-A722 PolarHBondContact O-N 3.21Å
681	V	98.4	Very high	88.8	Confident	0 Å²	0	48 Å²	48	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	111.9	170.3	177.4	0	0	0	0	108.7	L608 M609 T610 I611 Y683 A722 I724 M783 L793	L608-V681 HydrophobicContact CD1-CB 4.4Å; L608-V681 HydrophobicContact CD1-CG2 3.86Å; M609-V681 PolarHBondContact O-N 3.29Å; T610-V681 CarbonylContact C-O 3.51Å; T610-V681 WeakPolarHBondContact CA-O 3.44Å; I611-V681 PolarHBondContact N-O 2.84Å; V681-Y683 HydrophobicContact CG1-CD2 4.12Å; V681-Y683 HydrophobicContact CG1-CE1 4.41Å; V681-Y683 HydrophobicContact CG1-CE2 3.53Å; V681-A722 HydrophobicContact CG2-CB 4.47Å; V681-I724 HydrophobicContact CG1-CD1 3.98Å; V681-M783 HydrophobicContact CG2-CE 3.77Å; V681-M783 HydrophobicContact CG2-SD 4.22Å; V681-L793 HydrophobicContact CG2-CD2 4.1Å
682	F	98.1	Very high	88.1	Confident	1 Å²	1	42.9 Å²	42.9	0%	0.004	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	116	-175.2	-168.8	-74.9	0	0	0	110.4	I611 F613 L629 L658 I662 R684 A722 Y723 I724	I611-F682 HydrophobicContact CB-CD2 3.77Å; I611-F682 HydrophobicContact CB-CE2 4.31Å; I611-F682 HydrophobicContact CB-CG 4.37Å; I611-F682 HydrophobicContact CD1-CD2 4.11Å; I611-F682 HydrophobicContact CG2-CD2 3.53Å; I611-F682 HydrophobicContact CG2-CE2 3.54Å; I611-F682 HydrophobicContact CG2-CG 4.39Å; I611-F682 HydrophobicContact CG2-CZ 4.4Å; F613-F682 HydrophobicContact CB-CE1 4.01Å; F613-F682 HydrophobicContact CB-CZ 3.65Å; F613-F682 HydrophobicContact CD1-CZ 4.33Å; F613-F682 HydrophobicContact CG-CZ 4.25Å; L629-F682 HydrophobicContact CD1-CE2 4.32Å; L658-F682 HydrophobicContact CD1-CE2 4.37Å; L658-F682 HydrophobicContact CD1-CZ 4.09Å; L658-F682 HydrophobicContact CD2-CZ 4.07Å; I662-F682 HydrophobicContact CD1-CE2 4Å; I662-F682 HydrophobicContact CG1-CE2 4.38Å; F682-R684 HydrophobicContact CD1-CB 4.44Å; F682-R684 HydrophobicContact CE1-CB 4.15Å; F682-A722 PolarHBondContact N-O 3.12Å; F682-Y723 HydrophobicContact CB-CD2 4.21Å; F682-Y723 AromaticContact CD1-CD2 3.65Å; F682-Y723 HydrophobicContact CD1-CD2 3.65Å; F682-Y723 AromaticContact CD1-CE2 3.44Å; F682-Y723 HydrophobicContact CD1-CE2 3.44Å; F682-Y723 VanDerWaalsContact CD1-CE2 3.44Å; F682-Y723 HydrophobicContact CD1-CG 4.4Å; F682-Y723 HydrophobicContact CE1-CD2 4.27Å; F682-Y723 AromaticContact CE1-CE2 3.59Å; F682-Y723 HydrophobicContact CE1-CE2 3.59Å; F682-Y723 HydrophobicContact CG-CD2 4.03Å; F682-Y723 HydrophobicContact CG-CE2 4.17Å; F682-Y723 HydrophobicContact CZ-CE2 4.4Å; F682-I724 PolarHBondContact O-N 3.45Å
683	Y	98.1	Very high	87.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	117.9	176.5	-66.3	-79	0	0	0	111.7	T610 I611 G612 F613 V681 I724 V726 Y776 T794 P811 V813 C814	T610-Y683 HydrophobicContact CG2-CD2 3.77Å; T610-Y683 HydrophobicContact CG2-CE2 3.61Å; I611-Y683 PolarHBondContact O-N 3Å; G612-Y683 WeakPolarHBondContact CA-O 3.46Å; F613-Y683 PolarHBondContact N-O 3.22Å; V681-Y683 HydrophobicContact CG1-CD2 4.12Å; V681-Y683 HydrophobicContact CG1-CE1 4.41Å; V681-Y683 HydrophobicContact CG1-CE2 3.53Å; Y683-I724 WeakPolarHBondContact CA-O 3.26Å; Y683-I724 HydrophobicContact CD1-CB 3.95Å; Y683-I724 HydrophobicContact CD1-CD1 4.22Å; Y683-I724 HydrophobicContact CD1-CG2 4.16Å; Y683-I724 HydrophobicContact CE1-CB 4.25Å; Y683-I724 HydrophobicContact CE1-CD1 3.7Å; Y683-I724 HydrophobicContact CE1-CG2 4.28Å; Y683-V726 HydrophobicContact CD1-CG2 3.72Å; Y683-V726 HydrophobicContact CG-CG2 4.27Å; Y683-Y776 HydrophobicContact CE1-CD1 4.35Å; Y683-Y776 HydrophobicContact CE1-CE1 4.42Å; Y683-T794 HydrophobicContact CE1-CG2 4.06Å; Y683-T794 WeakPolarHBondContact OH-CA 3.42Å; Y683-T794 PolarHBondContact OH-OG1 3.41Å; Y683-T794 VanDerWaalsContact OH-OG1 3.11Å; Y683-P811 HydrophobicContact CD1-CG 3.87Å; Y683-P811 HydrophobicContact CD2-CB 4.13Å; Y683-P811 HydrophobicContact CD2-CG 4.23Å; Y683-P811 HydrophobicContact CE1-CG 3.88Å; Y683-P811 HydrophobicContact CE2-CB 4.21Å; Y683-P811 HydrophobicContact CE2-CG 4.24Å; Y683-P811 HydrophobicContact CG-CB 4.35Å; Y683-P811 HydrophobicContact CG-CG 4.04Å; Y683-V813 HydrophobicContact CD2-CG2 3.99Å; Y683-C814 WeakPolarHBondContact CB-SG 3.11Å
684	R	94	Very high	86.9	Confident	10 Å²	10	48.3 Å²	48.3	4%	0.038	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	107	-178.1	-176.2	71.1	162.4	91.8	-7.9	111.2	F682 V687 L695 E699 Y723 I724 V725 V726	F682-R684 HydrophobicContact CD1-CB 4.44Å; F682-R684 HydrophobicContact CE1-CB 4.15Å; R684-V687 HydrophobicContact CG-CG2 3.57Å; R684-L695 HydrophobicContact CG-CD2 4.34Å; R684-E699 IonicContact CZ-OE1 3.65Å; R684-E699 IonicContact CZ-OE2 3.23Å; R684-E699 IonicContact NE-OE1 3.3Å; R684-E699 PolarHBondContact NE-OE1 3.1Å; R684-E699 VanDerWaalsContact NE-OE1 3.17Å; R684-E699 IonicContact NE-OE2 2.84Å; R684-E699 PolarHBondContact NE-OE2 3.15Å; R684-E699 IonicContact NH2-OE1 2.71Å; R684-E699 PolarHBondContact NH2-OE1 2.9Å; R684-E699 IonicContact NH2-OE2 2.75Å; R684-Y723 HydrophobicContact CB-CE1 3.97Å; R684-Y723 WeakPolarHBondContact CD-OH 3.28Å; R684-Y723 HydrophobicContact CG-CE1 4.43Å; R684-Y723 VanDerWaalsContact CG-OH 3.27Å; R684-Y723 WeakPolarHBondContact CG-OH 3.29Å; R684-I724 PolarHBondContact N-O 3.37Å; R684-V725 HydrophobicContact CB-CG2 4.36Å; R684-V726 PolarHBondContact O-N 3.46Å
685	D	87.4	Confident	86.4	Confident	4 Å²	4	38.8 Å²	38.8	2%	0.021	24%	0.241	C	C	.	.			trans	-83.5	167	171.5	-161.1	-10.6	0	0	0	110.5	F613 D614 V687 R728 C814	F613-D685 PolarHBondContact O-N 3.48Å; D614-D685 HydrophobicContact CB-CB 4.08Å; D685-V687 PolarHBondContact O-N 3.04Å; D685-R728 IonicContact OD1-CZ 2.67Å; D685-R728 IonicContact OD1-NH1 2.78Å; D685-R728 PolarHBondContact OD1-NH1 3.36Å; D685-R728 IonicContact OD2-CZ 2.79Å; D685-R728 IonicContact OD2-NH1 2.67Å; D685-R728 PolarHBondContact OD2-NH1 3.47Å; D685-R728 IonicContact OD2-NH2 2.84Å; D685-R728 PolarHBondContact OD2-NH2 2.75Å; D685-C814 HydrophobicContact CB-CB 4.32Å
686	G	72.1	Confident	86	Confident	58 Å²	58	36.5 Å²	36.5	60%	0.598	23%	0.231	S	C	*	.	S	Bend	trans	81.3	-3.2	165.4	0	0	0	0	0	117.7
687	V	76.4	Confident	85.4	Confident	16 Å²	16	39.6 Å²	39.6	10%	0.097	25%	0.245	C	C	.	.			trans	-83.3	139.9	-175.6	-178.9	0	0	0	0	112.7	R684 D685 L692 L695 V725	R684-V687 HydrophobicContact CG-CG2 3.57Å; D685-V687 PolarHBondContact O-N 3.04Å; V687-L692 HydrophobicContact CG1-CD2 4.11Å; V687-L695 HydrophobicContact CG1-CD1 4.28Å; V687-L695 HydrophobicContact CG1-CD2 4.18Å; V687-L695 HydrophobicContact CG2-CD1 3.73Å; V687-L695 HydrophobicContact CG2-CD2 4.09Å; V687-V725 HydrophobicContact CB-CG1 4.12Å
688	S	68.8	Low	84.8	Confident	65 Å²	65	45.1 Å²	45.1	46%	0.455	27%	0.269	S	S	.	.			trans	-85	147.2	173.8	101.1	0	0	0	0	112	G690 S691	S688-G690 PolarHBondContact O-N 2.73Å; S688-G690 PolarHBondContact OG-N 2.96Å; S688-S691 PolarHBondContact O-N 3.24Å; S688-S691 PolarHBondContact OG-OG 3.38Å
689	S	66.9	Low	84.5	Confident	87 Å²	87	41.9 Å²	41.9	61%	0.608	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-62.3	-25.3	-179.4	54.4	0	0	0	0	114.3	S691	S689-S691 VanDerWaalsContact C-N 3.28Å; S689-S691 PolarHBondContact O-N 3.15Å
690	G	67	Low	84.2	Confident	72 Å²	72	38.4 Å²	38.4	74%	0.742	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-78.5	-7.4	174.8	0	0	0	0	0	114.5	S688	S688-G690 PolarHBondContact O-N 2.73Å; S688-G690 PolarHBondContact OG-N 2.96Å
691	S	74.4	Confident	83.9	Confident	39 Å²	39	42.5 Å²	42.5	27%	0.273	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-103.6	-1.5	-178.1	-49.5	0	0	0	0	113.2	S688 S689 K693 Q694 L695	S688-S691 PolarHBondContact O-N 3.24Å; S688-S691 PolarHBondContact OG-OG 3.38Å; S689-S691 VanDerWaalsContact C-N 3.28Å; S689-S691 PolarHBondContact O-N 3.15Å; S691-K693 PolarHBondContact O-N 2.92Å; S691-Q694 PolarHBondContact O-N 3.48Å; S691-L695 PolarHBondContact O-N 3.47Å
692	L	82	Confident	83.6	Confident	14 Å²	14	44.7 Å²	44.7	7%	0.073	26%	0.262	C	S	.	.	H	α-helix	trans	-63.5	-38.9	-169	-68.3	173.3	0	0	0	113.9	V687 L695 F696 V725 L779	V687-L692 HydrophobicContact CG1-CD2 4.11Å; L692-L695 PolarHBondContact O-N 2.71Å; L692-F696 WeakPolarHBondContact O-CB 3.38Å; L692-F696 PolarHBondContact O-N 3.02Å; L692-V725 HydrophobicContact CD2-CB 4.43Å; L692-V725 HydrophobicContact CD2-CG1 4.21Å; L692-V725 HydrophobicContact CD2-CG2 4.04Å; L692-L779 HydrophobicContact CD2-CD2 4.42Å
693	K	82.8	Confident	83.4	Confident	92 Å²	92	44.9 Å²	44.9	40%	0.4	26%	0.263	S	S	.	.	H	α-helix	trans	-62.7	-46.7	176	-176.3	175.2	175.2	178	0	111.5	D77 L79 S691 L695 F696 E697	D77-K693 HydrophobicContact CB-CD 3.91Å; D77-K693 WeakPolarHBondContact OD2-CD 3.47Å; D77-K693 WeakPolarHBondContact OD2-CE 3.08Å; D77-K693 IonicContact OD2-NZ 2.71Å; D77-K693 PolarHBondContact OD2-NZ 2.84Å; L79-K693 HydrophobicContact CB-CB 4.48Å; S691-K693 PolarHBondContact O-N 2.92Å; K693-L695 PolarHBondContact O-N 3.08Å; K693-F696 PolarHBondContact O-N 2.95Å; K693-E697 WeakPolarHBondContact O-CG 3.32Å; K693-E697 PolarHBondContact O-N 3.31Å
694	Q	81.8	Confident	83.3	Confident	105 Å²	105	46.2 Å²	46.2	49%	0.491	27%	0.271	S	S	.	.	H	α-helix	trans	-62.9	-41.8	175.7	-69	173.9	-28.5	0	0	111.7	L654 S691 F696 E697 F698	L654-Q694 HydrophobicContact CD1-CB 4.43Å; L654-Q694 HydrophobicContact CD2-CB 4.41Å; S691-Q694 PolarHBondContact O-N 3.48Å; Q694-F696 VanDerWaalsContact C-N 3.33Å; Q694-F696 PolarHBondContact O-N 3.41Å; Q694-E697 PolarHBondContact O-N 3.32Å; Q694-F698 HydrophobicContact CB-CD2 4.27Å; Q694-F698 WeakPolarHBondContact O-CB 3.5Å; Q694-F698 VanDerWaalsContact O-CD2 3.25Å; Q694-F698 WeakPolarHBondContact O-CD2 3.34Å; Q694-F698 PolarHBondContact O-N 3.38Å
695	L	85.1	Confident	83.3	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-60.5	-41.8	176	-165.2	90.6	0	0	0	112	R684 V687 S691 L692 K693 E699 V700 Y723 V725 L779	R684-L695 HydrophobicContact CG-CD2 4.34Å; V687-L695 HydrophobicContact CG1-CD1 4.28Å; V687-L695 HydrophobicContact CG1-CD2 4.18Å; V687-L695 HydrophobicContact CG2-CD1 3.73Å; V687-L695 HydrophobicContact CG2-CD2 4.09Å; S691-L695 PolarHBondContact O-N 3.47Å; L692-L695 PolarHBondContact O-N 2.71Å; K693-L695 PolarHBondContact O-N 3.08Å; L695-E699 VanDerWaalsContact CD1-CD 3.49Å; L695-E699 HydrophobicContact CD1-CG 4.21Å; L695-E699 VanDerWaalsContact CD1-OE1 3.31Å; L695-E699 WeakPolarHBondContact CD1-OE1 3.47Å; L695-E699 HydrophobicContact CG-CB 4.48Å; L695-E699 WeakPolarHBondContact O-CA 2.93Å; L695-E699 WeakPolarHBondContact O-CB 3.4Å; L695-E699 PolarHBondContact O-N 2.93Å; L695-V700 PolarHBondContact O-N 3.33Å; L695-Y723 HydrophobicContact CD2-CE1 3.82Å; L695-Y723 WeakPolarHBondContact CD2-OH 3.47Å; L695-V725 HydrophobicContact CD2-CG2 3.57Å; L695-L779 HydrophobicContact CD2-CD1 3.76Å
696	F	86.7	Confident	83.7	Confident	41 Å²	41	53.2 Å²	53.2	18%	0.18	30%	0.303	C	S	.	.	I	π-helix	trans	-66.8	-47.8	178.2	-176.4	-97.9	0	0	0	112.1	L79 L692 K693 Q694 V700 K701 L779	L79-F696 HydrophobicContact CD1-CB 4.43Å; L79-F696 HydrophobicContact CD1-CD1 3.94Å; L79-F696 HydrophobicContact CD1-CE1 4.41Å; L79-F696 HydrophobicContact CD1-CG 4.17Å; L79-F696 HydrophobicContact CD2-CB 3.49Å; L79-F696 VanDerWaalsContact CD2-CB 3.49Å; L79-F696 HydrophobicContact CD2-CD1 4.37Å; L79-F696 HydrophobicContact CD2-CD2 4.1Å; L79-F696 HydrophobicContact CD2-CG 3.75Å; L692-F696 WeakPolarHBondContact O-CB 3.38Å; L692-F696 PolarHBondContact O-N 3.02Å; K693-F696 PolarHBondContact O-N 2.95Å; Q694-F696 VanDerWaalsContact C-N 3.33Å; Q694-F696 PolarHBondContact O-N 3.41Å; F696-V700 HydrophobicContact CD2-CB 3.94Å; F696-V700 HydrophobicContact CD2-CG1 4.07Å; F696-V700 HydrophobicContact CD2-CG2 4.1Å; F696-V700 HydrophobicContact CE2-CB 4.4Å; F696-V700 HydrophobicContact CE2-CG1 4.06Å; F696-V700 HydrophobicContact CG-CB 4.47Å; F696-V700 WeakPolarHBondContact O-CB 3.45Å; F696-V700 PolarHBondContact O-N 2.85Å; F696-K701 PolarHBondContact O-N 3.3Å; F696-L779 HydrophobicContact CD2-CB 4.19Å; F696-L779 WeakPolarHBondContact CE2-O 3.49Å
697	E	84.8	Confident	84.9	Confident	78 Å²	78	50.8 Å²	50.8	36%	0.364	28%	0.276	S	S	.	.	I	π-helix	trans	-64.4	-41.4	179.1	-67.6	-61.2	131	0	0	112.7	K693 Q694 K701	K693-E697 WeakPolarHBondContact O-CG 3.32Å; K693-E697 PolarHBondContact O-N 3.31Å; Q694-E697 PolarHBondContact O-N 3.32Å; E697-K701 WeakPolarHBondContact OE1-CE 3.42Å; E697-K701 IonicContact OE1-NZ 2.77Å; E697-K701 PolarHBondContact OE1-NZ 2.79Å; E697-K701 WeakPolarHBondContact OE2-CE 3.21Å; E697-K701 IonicContact OE2-NZ 2.76Å; E697-K701 PolarHBondContact OE2-NZ 2.83Å
698	F	84.6	Confident	85.9	Confident	117 Å²	117	54.2 Å²	54.2	51%	0.513	29%	0.289	S	S	.	.	I	π-helix	trans	-98.2	-35.4	-173.5	-65.9	-65.8	0	0	0	115.5	L654 A655 Q694 D702	L654-F698 HydrophobicContact CB-CB 4.44Å; L654-F698 HydrophobicContact CD1-CD2 3.93Å; L654-F698 HydrophobicContact CD1-CE2 4.36Å; A655-F698 HydrophobicContact CB-CB 4.2Å; A655-F698 WeakPolarHBondContact CB-O 3.45Å; Q694-F698 HydrophobicContact CB-CD2 4.27Å; Q694-F698 WeakPolarHBondContact O-CB 3.5Å; Q694-F698 VanDerWaalsContact O-CD2 3.25Å; Q694-F698 WeakPolarHBondContact O-CD2 3.34Å; Q694-F698 PolarHBondContact O-N 3.38Å; F698-D702 WeakPolarHBondContact O-CB 3.49Å
699	E	89.3	Confident	87.2	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	29%	0.289	C	S	.	.	I	π-helix	trans	-92.2	-49	175	-69.2	-174.2	-157.1	0	0	112	A655 L658 R684 L695 I703 Y723	A655-E699 HydrophobicContact CB-CG 3.86Å; L658-E699 HydrophobicContact CD2-CG 4.09Å; R684-E699 IonicContact CZ-OE1 3.65Å; R684-E699 IonicContact CZ-OE2 3.23Å; R684-E699 IonicContact NE-OE1 3.3Å; R684-E699 PolarHBondContact NE-OE1 3.1Å; R684-E699 VanDerWaalsContact NE-OE1 3.17Å; R684-E699 IonicContact NE-OE2 2.84Å; R684-E699 PolarHBondContact NE-OE2 3.15Å; R684-E699 IonicContact NH2-OE1 2.71Å; R684-E699 PolarHBondContact NH2-OE1 2.9Å; R684-E699 IonicContact NH2-OE2 2.75Å; L695-E699 VanDerWaalsContact CD1-CD 3.49Å; L695-E699 HydrophobicContact CD1-CG 4.21Å; L695-E699 VanDerWaalsContact CD1-OE1 3.31Å; L695-E699 WeakPolarHBondContact CD1-OE1 3.47Å; L695-E699 HydrophobicContact CG-CB 4.48Å; L695-E699 WeakPolarHBondContact O-CA 2.93Å; L695-E699 WeakPolarHBondContact O-CB 3.4Å; L695-E699 PolarHBondContact O-N 2.93Å; E699-I703 WeakPolarHBondContact O-CB 3.3Å; E699-I703 WeakPolarHBondContact O-CD1 3.34Å; E699-I703 WeakPolarHBondContact O-CG1 3.23Å; E699-I703 PolarHBondContact O-N 3.04Å; E699-Y723 PolarHBondContact OE2-OH 3.39Å
700	V	91.4	Very high	88.5	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.266	C	S	.	.	I	π-helix	trans	-73.4	-46.8	-167.5	-176	0	0	0	0	112.2	L695 F696 I703 I704 Y723 L779 Y780	L695-V700 PolarHBondContact O-N 3.33Å; F696-V700 HydrophobicContact CD2-CB 3.94Å; F696-V700 HydrophobicContact CD2-CG1 4.07Å; F696-V700 HydrophobicContact CD2-CG2 4.1Å; F696-V700 HydrophobicContact CE2-CB 4.4Å; F696-V700 HydrophobicContact CE2-CG1 4.06Å; F696-V700 HydrophobicContact CG-CB 4.47Å; F696-V700 WeakPolarHBondContact O-CB 3.45Å; F696-V700 PolarHBondContact O-N 2.85Å; V700-I703 PolarHBondContact O-N 3.48Å; V700-I704 HydrophobicContact CG1-CD1 4Å; V700-I704 VanDerWaalsContact O-CG1 3.32Å; V700-I704 WeakPolarHBondContact O-CG1 3.12Å; V700-I704 PolarHBondContact O-N 3.07Å; V700-I704 VanDerWaalsContact O-N 3.1Å; V700-Y723 HydrophobicContact CG2-CD1 3.75Å; V700-Y723 HydrophobicContact CG2-CD2 3.9Å; V700-Y723 HydrophobicContact CG2-CE1 3.93Å; V700-Y723 HydrophobicContact CG2-CE2 4.03Å; V700-Y723 HydrophobicContact CG2-CG 3.75Å; V700-L779 HydrophobicContact CG2-CD1 4.25Å; V700-Y780 HydrophobicContact CG1-CG 4.32Å
701	K	91.4	Very high	90	Very high	89 Å²	89	48.5 Å²	48.5	39%	0.387	23%	0.231	S	C	.	.	H	α-helix	trans	-62.9	-43.6	176.2	-66.1	-175.2	-178.4	176.5	0	112.1	F696 E697 I703 I704 E705	F696-K701 PolarHBondContact O-N 3.3Å; E697-K701 WeakPolarHBondContact OE1-CE 3.42Å; E697-K701 IonicContact OE1-NZ 2.77Å; E697-K701 PolarHBondContact OE1-NZ 2.79Å; E697-K701 WeakPolarHBondContact OE2-CE 3.21Å; E697-K701 IonicContact OE2-NZ 2.76Å; E697-K701 PolarHBondContact OE2-NZ 2.83Å; K701-I703 PolarHBondContact O-N 2.98Å; K701-I704 PolarHBondContact O-N 3.17Å; K701-I704 VanDerWaalsContact O-N 3.15Å; K701-E705 PolarHBondContact O-N 2.77Å
702	D	91.9	Very high	91	Very high	45 Å²	45	49.7 Å²	49.7	24%	0.241	24%	0.243	C	C	.	.	H	α-helix	trans	-59.3	-45	178.5	-171.9	69.3	0	0	0	112.3	F698 I704 K706	F698-D702 WeakPolarHBondContact O-CB 3.49Å; D702-I704 PolarHBondContact O-N 3.34Å; D702-K706 VanDerWaalsContact O-CB 3.32Å; D702-K706 WeakPolarHBondContact O-CB 3.3Å; D702-K706 VanDerWaalsContact O-CG 3.3Å; D702-K706 WeakPolarHBondContact O-CG 3.33Å; D702-K706 PolarHBondContact O-N 3.09Å; D702-K706 WeakPolarHBondContact OD1-CE 3.47Å; D702-K706 IonicContact OD1-NZ 3.46Å; D702-K706 PolarHBondContact OD1-NZ 2.98Å; D702-K706 WeakPolarHBondContact OD2-CE 3.48Å; D702-K706 IonicContact OD2-NZ 2.67Å; D702-K706 PolarHBondContact OD2-NZ 3.21Å
703	I	94.3	Very high	91.6	Very high	5 Å²	5	56.5 Å²	56.5	3%	0.026	27%	0.268	C	S	.	.	H	α-helix	trans	-62.1	-41.4	174.8	-72	167.7	0	0	0	111.2	L658 I662 E699 V700 K701 L707 L721 Y723	L658-I703 HydrophobicContact CD2-CD1 4.02Å; I662-I703 HydrophobicContact CD1-CD1 3.75Å; I662-I703 HydrophobicContact CD1-CG1 3.75Å; E699-I703 WeakPolarHBondContact O-CB 3.3Å; E699-I703 WeakPolarHBondContact O-CD1 3.34Å; E699-I703 WeakPolarHBondContact O-CG1 3.23Å; E699-I703 PolarHBondContact O-N 3.04Å; V700-I703 PolarHBondContact O-N 3.48Å; K701-I703 PolarHBondContact O-N 2.98Å; I703-L707 HydrophobicContact CG2-CD1 3.64Å; I703-L707 HydrophobicContact CG2-CG 4.18Å; I703-L707 WeakPolarHBondContact O-CB 3.39Å; I703-L707 WeakPolarHBondContact O-CG 3.5Å; I703-L707 PolarHBondContact O-N 3.38Å; I703-L721 HydrophobicContact CG2-CD2 4.06Å; I703-Y723 HydrophobicContact CD1-CD2 4.31Å; I703-Y723 HydrophobicContact CD1-CE2 4.01Å
704	I	95.4	Very high	92.2	Very high	29 Å²	29	55 Å²	55	15%	0.149	27%	0.266	C	S	.	.	H	α-helix	trans	-63.9	-51.4	-179.4	-71.4	164.9	0	0	0	111.2	V700 K701 D702 K706 L707 K708 L721 Y780	V700-I704 HydrophobicContact CG1-CD1 4Å; V700-I704 VanDerWaalsContact O-CG1 3.32Å; V700-I704 WeakPolarHBondContact O-CG1 3.12Å; V700-I704 PolarHBondContact O-N 3.07Å; V700-I704 VanDerWaalsContact O-N 3.1Å; K701-I704 PolarHBondContact O-N 3.17Å; K701-I704 VanDerWaalsContact O-N 3.15Å; D702-I704 PolarHBondContact O-N 3.34Å; I704-K706 PolarHBondContact O-N 3.08Å; I704-L707 PolarHBondContact O-N 3.3Å; I704-K708 WeakPolarHBondContact O-CG 3.42Å; I704-K708 PolarHBondContact O-N 3.25Å; I704-L721 HydrophobicContact CG1-CD2 3.9Å; I704-Y780 HydrophobicContact CD1-CD1 4.12Å; I704-Y780 HydrophobicContact CD1-CD2 3.83Å; I704-Y780 HydrophobicContact CD1-CE1 4.03Å; I704-Y780 HydrophobicContact CD1-CE2 3.72Å; I704-Y780 HydrophobicContact CD1-CG 4.03Å; I704-Y780 HydrophobicContact CG1-CE1 4.43Å
705	E	95.1	Very high	92.8	Very high	95 Å²	95	59 Å²	59	44%	0.444	29%	0.285	S	S	.	.	H	α-helix	trans	-67.9	-37.1	-178	-59.6	-47.8	128.6	0	0	112.5	K701 K708 T709	K701-E705 PolarHBondContact O-N 2.77Å; E705-K708 PolarHBondContact O-N 2.98Å; E705-K708 WeakPolarHBondContact OE1-CE 3.39Å; E705-K708 IonicContact OE1-NZ 2.63Å; E705-K708 PolarHBondContact OE1-NZ 2.96Å; E705-K708 WeakPolarHBondContact OE2-CD 3.37Å; E705-K708 WeakPolarHBondContact OE2-CE 3.34Å; E705-K708 IonicContact OE2-NZ 2.66Å; E705-K708 PolarHBondContact OE2-NZ 2.74Å; E705-T709 PolarHBondContact O-N 2.91Å; E705-T709 PolarHBondContact O-OG1 2.79Å
706	K	95.6	Very high	93.3	Very high	66 Å²	66	62.9 Å²	62.9	29%	0.287	31%	0.306	S	S	.	.	H	α-helix	trans	-74.5	-28.2	176.6	-65.1	177.6	-178.9	161.2	0	112.8	W659 D702 I704 T709 E710	W659-K706 HydrophobicContact CB-CD 4.07Å; W659-K706 HydrophobicContact CD2-CB 3.63Å; W659-K706 HydrophobicContact CD2-CD 3.54Å; W659-K706 HydrophobicContact CD2-CG 4.22Å; W659-K706 HydrophobicContact CE3-CB 3.61Å; W659-K706 HydrophobicContact CE3-CD 4.06Å; W659-K706 HydrophobicContact CE3-CG 4.49Å; W659-K706 HydrophobicContact CG-CB 4.45Å; W659-K706 HydrophobicContact CG-CD 3.45Å; W659-K706 VanDerWaalsContact CG-CD 3.45Å; W659-K706 VanDerWaalsContact CH2-C 3.45Å; W659-K706 HydrophobicContact CH2-CB 3.59Å; W659-K706 WeakPolarHBondContact CH2-O 3.39Å; W659-K706 HydrophobicContact CZ2-CB 3.6Å; W659-K706 HydrophobicContact CZ3-CB 3.59Å; D702-K706 VanDerWaalsContact O-CB 3.32Å; D702-K706 WeakPolarHBondContact O-CB 3.3Å; D702-K706 VanDerWaalsContact O-CG 3.3Å; D702-K706 WeakPolarHBondContact O-CG 3.33Å; D702-K706 PolarHBondContact O-N 3.09Å; D702-K706 WeakPolarHBondContact OD1-CE 3.47Å; D702-K706 IonicContact OD1-NZ 3.46Å; D702-K706 PolarHBondContact OD1-NZ 2.98Å; D702-K706 WeakPolarHBondContact OD2-CE 3.48Å; D702-K706 IonicContact OD2-NZ 2.67Å; D702-K706 PolarHBondContact OD2-NZ 3.21Å; I704-K706 PolarHBondContact O-N 3.08Å; K706-T709 WeakPolarHBondContact O-CB 3.49Å; K706-T709 PolarHBondContact O-N 2.83Å; K706-E710 PolarHBondContact O-N 3.17Å
707	L	97.1	Very high	93.7	Very high	6 Å²	6	65.5 Å²	65.5	3%	0.031	33%	0.329	C	S	.	.	H	α-helix	trans	-66.2	-44.8	168.1	-79.3	172.4	0	0	0	111.9	W659 L666 I680 I703 I704 T709 E710 Y711 P719 L721	W659-L707 HydrophobicContact CH2-CD2 4.31Å; W659-L707 HydrophobicContact CH2-CG 4.4Å; W659-L707 HydrophobicContact CZ3-CD2 4.42Å; W659-L707 HydrophobicContact CZ3-CG 4.22Å; L666-L707 HydrophobicContact CD1-CD2 3.77Å; I680-L707 HydrophobicContact CD1-CD1 4.19Å; I680-L707 HydrophobicContact CD1-CD2 3.75Å; I703-L707 HydrophobicContact CG2-CD1 3.64Å; I703-L707 HydrophobicContact CG2-CG 4.18Å; I703-L707 WeakPolarHBondContact O-CB 3.39Å; I703-L707 WeakPolarHBondContact O-CG 3.5Å; I703-L707 PolarHBondContact O-N 3.38Å; I704-L707 PolarHBondContact O-N 3.3Å; L707-T709 PolarHBondContact O-N 2.9Å; L707-E710 PolarHBondContact O-N 3.32Å; L707-Y711 HydrophobicContact CD2-CD2 4.42Å; L707-Y711 HydrophobicContact CD2-CE2 3.84Å; L707-Y711 WeakPolarHBondContact O-CD2 3.4Å; L707-Y711 PolarHBondContact O-N 3.08Å; L707-Y711 VanDerWaalsContact O-N 3.09Å; L707-P719 HydrophobicContact CD1-CG 4.19Å; L707-P719 HydrophobicContact CD2-CG 4.14Å; L707-L721 HydrophobicContact CD1-CD1 4.47Å; L707-L721 HydrophobicContact CD1-CD2 4.06Å
708	K	96.6	Very high	94.2	Very high	89 Å²	89	65.1 Å²	65.1	39%	0.387	33%	0.333	S	S	.	.	H	α-helix	trans	-53.1	-43.4	170.4	-65	174.4	-165.4	167.9	0	110.6	I704 E705 Y711 A712 P718	I704-K708 WeakPolarHBondContact O-CG 3.42Å; I704-K708 PolarHBondContact O-N 3.25Å; E705-K708 PolarHBondContact O-N 2.98Å; E705-K708 WeakPolarHBondContact OE1-CE 3.39Å; E705-K708 IonicContact OE1-NZ 2.63Å; E705-K708 PolarHBondContact OE1-NZ 2.96Å; E705-K708 WeakPolarHBondContact OE2-CD 3.37Å; E705-K708 WeakPolarHBondContact OE2-CE 3.34Å; E705-K708 IonicContact OE2-NZ 2.66Å; E705-K708 PolarHBondContact OE2-NZ 2.74Å; K708-Y711 PolarHBondContact O-N 2.91Å; K708-A712 WeakPolarHBondContact O-CB 3.32Å; K708-A712 PolarHBondContact O-N 3.1Å; K708-P718 HydrophobicContact CG-CB 4.05Å; K708-P718 HydrophobicContact CG-CG 4.17Å
709	T	96.6	Very high	94.8	Very high	73 Å²	73	60.2 Å²	60.2	45%	0.448	31%	0.313	S	S	.	.	H	α-helix	trans	-65.2	-47.9	-177.3	-55.4	0	0	0	0	113	E705 K706 L707 R713	E705-T709 PolarHBondContact O-N 2.91Å; E705-T709 PolarHBondContact O-OG1 2.79Å; K706-T709 WeakPolarHBondContact O-CB 3.49Å; K706-T709 PolarHBondContact O-N 2.83Å; L707-T709 PolarHBondContact O-N 2.9Å; T709-R713 WeakPolarHBondContact O-CG 3Å; T709-R713 PolarHBondContact O-N 2.99Å
710	E	95.5	Very high	95.2	Very high	26 Å²	26	62.9 Å²	62.9	12%	0.121	33%	0.326	C	S	.	.	H	α-helix	trans	-69	-33.4	178	-66.9	-71	176.3	0	0	112.9	W659 R667 K706 L707 R713	W659-E710 HydrophobicContact CH2-CG 3.96Å; W659-E710 HydrophobicContact CZ2-CG 3.49Å; W659-E710 VanDerWaalsContact CZ2-CG 3.49Å; R667-E710 IonicContact NH2-OE1 3.64Å; K706-E710 PolarHBondContact O-N 3.17Å; L707-E710 PolarHBondContact O-N 3.32Å; E710-R713 WeakPolarHBondContact O-CB 3.44Å; E710-R713 PolarHBondContact O-N 2.86Å; E710-R713 IonicContact OE1-CZ 3.29Å; E710-R713 IonicContact OE1-NH1 3.9Å; E710-R713 PolarHBondContact OE1-NH1 2.77Å; E710-R713 IonicContact OE2-CZ 2.81Å; E710-R713 IonicContact OE2-NH1 3.68Å; E710-R713 PolarHBondContact OE2-NH1 3.49Å
711	Y	97	Very high	95.4	Very high	5 Å²	5	63.1 Å²	63.1	2%	0.02	33%	0.326	C	S	.	.	H	α-helix	trans	-76.4	-36.4	-179.8	-77.2	-117.1	0	0	0	111	L666 L676 P677 L707 K708 R713 V714 Q715 L716 S717 P719	L666-Y711 HydrophobicContact CD1-CE2 4.37Å; L666-Y711 HydrophobicContact CD2-CE2 4.28Å; L676-Y711 HydrophobicContact CB-CD1 4.34Å; L676-Y711 HydrophobicContact CB-CE1 3.65Å; L676-Y711 HydrophobicContact CD1-CD1 3.96Å; L676-Y711 HydrophobicContact CD1-CD2 4.04Å; L676-Y711 HydrophobicContact CD1-CE1 3.98Å; L676-Y711 HydrophobicContact CD1-CE2 4.06Å; L676-Y711 HydrophobicContact CD1-CG 3.99Å; L676-Y711 HydrophobicContact CG-CE1 4.4Å; P677-Y711 WeakPolarHBondContact CD-OH 3.26Å; P677-Y711 WeakPolarHBondContact CG-OH 3.15Å; P677-Y711 PolarHBondContact O-OH 2.85Å; L707-Y711 HydrophobicContact CD2-CD2 4.42Å; L707-Y711 HydrophobicContact CD2-CE2 3.84Å; L707-Y711 WeakPolarHBondContact O-CD2 3.4Å; L707-Y711 PolarHBondContact O-N 3.08Å; L707-Y711 VanDerWaalsContact O-N 3.09Å; K708-Y711 PolarHBondContact O-N 2.91Å; Y711-R713 VanDerWaalsContact C-N 3.28Å; Y711-R713 PolarHBondContact O-N 2.64Å; Y711-V714 CarbonylContact O-C 3.54Å; Y711-V714 WeakPolarHBondContact O-CA 3.36Å; Y711-V714 PolarHBondContact O-N 3.49Å; Y711-Q715 PolarHBondContact O-N 3.23Å; Y711-Q715 VanDerWaalsContact O-N 3.16Å; Y711-L716 CarbonylContact C-O 3.54Å; Y711-L716 VanDerWaalsContact C-O 3.28Å; Y711-L716 HydrophobicContact CD1-CB 4.23Å; Y711-L716 PolarHBondContact O-N 2.79Å; Y711-S717 WeakPolarHBondContact CD1-O 3.15Å; Y711-P719 HydrophobicContact CD1-CG 4.47Å; Y711-P719 HydrophobicContact CD2-CG 4.41Å; Y711-P719 HydrophobicContact CE1-CB 3.75Å; Y711-P719 HydrophobicContact CE1-CG 3.88Å; Y711-P719 HydrophobicContact CE2-CG 3.83Å
712	A	96.6	Very high	95.7	Very high	63 Å²	63	58.9 Å²	58.9	52%	0.521	31%	0.308	S	S	.	.	H	α-helix	trans	-60.8	-32.7	171.2	0	0	0	0	0	113.2	K708 V714 Q715	K708-A712 WeakPolarHBondContact O-CB 3.32Å; K708-A712 PolarHBondContact O-N 3.1Å; A712-V714 PolarHBondContact O-N 2.73Å; A712-Q715 PolarHBondContact O-N 3.17Å
713	R	94.6	Very high	95.9	Very high	158 Å²	158	56.7 Å²	56.7	60%	0.596	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-22	171.9	-71.7	174.1	-178	160.7	3.1	113.8	T709 E710 Y711	T709-R713 WeakPolarHBondContact O-CG 3Å; T709-R713 PolarHBondContact O-N 2.99Å; E710-R713 WeakPolarHBondContact O-CB 3.44Å; E710-R713 PolarHBondContact O-N 2.86Å; E710-R713 IonicContact OE1-CZ 3.29Å; E710-R713 IonicContact OE1-NH1 3.9Å; E710-R713 PolarHBondContact OE1-NH1 2.77Å; E710-R713 IonicContact OE2-CZ 2.81Å; E710-R713 IonicContact OE2-NH1 3.68Å; E710-R713 PolarHBondContact OE2-NH1 3.49Å; Y711-R713 VanDerWaalsContact C-N 3.28Å; Y711-R713 PolarHBondContact O-N 2.64Å
714	V	94.5	Very high	96	Very high	60 Å²	60	56.5 Å²	56.5	36%	0.364	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	17.3	175.5	-155	0	0	0	0	110.7	L676 Y711 A712 L716	L676-V714 HydrophobicContact CD1-CB 4.36Å; L676-V714 HydrophobicContact CD1-CG2 3.85Å; Y711-V714 CarbonylContact O-C 3.54Å; Y711-V714 WeakPolarHBondContact O-CA 3.36Å; Y711-V714 PolarHBondContact O-N 3.49Å; A712-V714 PolarHBondContact O-N 2.73Å; V714-L716 PolarHBondContact O-N 2.91Å
715	Q	95.3	Very high	96	Very high	188 Å²	188	55.2 Å²	55.2	88%	0.879	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	29.2	179.9	-59.2	178.5	-10.3	0	0	114.5	Y711 A712	Y711-Q715 PolarHBondContact O-N 3.23Å; Y711-Q715 VanDerWaalsContact O-N 3.16Å; A712-Q715 PolarHBondContact O-N 3.17Å
716	L	95.3	Very high	96	Very high	87 Å²	87	50.7 Å²	50.7	46%	0.455	27%	0.268	S	S	.	.			trans	-106.5	151.2	178	-68.6	174.8	0	0	0	112.2	Y711 V714	Y711-L716 CarbonylContact C-O 3.54Å; Y711-L716 VanDerWaalsContact C-O 3.28Å; Y711-L716 HydrophobicContact CD1-CB 4.23Å; Y711-L716 PolarHBondContact O-N 2.79Å; V714-L716 PolarHBondContact O-N 2.91Å
717	S	94.9	Very high	95.8	Very high	95 Å²	95	50.1 Å²	50.1	66%	0.664	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-60.8	150.5	164	56.8	0	0	0	0	111.3	Y711	Y711-S717 WeakPolarHBondContact CD1-O 3.15Å
718	P	95.1	Very high	95.3	Very high	70 Å²	70	52.6 Å²	52.6	46%	0.455	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-57.4	150.4	173.8	26	-35.8	0	0	0	111.9	K708	K708-P718 HydrophobicContact CG-CB 4.05Å; K708-P718 HydrophobicContact CG-CG 4.17Å
719	P	96.9	Very high	94.3	Very high	14 Å²	14	49.1 Å²	49.1	9%	0.091	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-74.5	160.6	-177	33.1	-36.2	0	0	0	111.6	I680 L707 Y711 L721	I680-P719 HydrophobicContact CD1-CB 4.28Å; I680-P719 HydrophobicContact CD1-CG 3.73Å; I680-P719 HydrophobicContact CG1-CB 4.3Å; I680-P719 HydrophobicContact CG1-CG 4.24Å; L707-P719 HydrophobicContact CD1-CG 4.19Å; L707-P719 HydrophobicContact CD2-CG 4.14Å; Y711-P719 HydrophobicContact CD1-CG 4.47Å; Y711-P719 HydrophobicContact CD2-CG 4.41Å; Y711-P719 HydrophobicContact CE1-CB 3.75Å; Y711-P719 HydrophobicContact CE1-CG 3.88Å; Y711-P719 HydrophobicContact CE2-CG 3.83Å; P719-L721 PolarHBondContact O-N 2.63Å
720	Q	97.3	Very high	93.1	Very high	58 Å²	58	51.2 Å²	51.2	27%	0.271	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	128.8	165.6	-55.6	-166.2	-77.5	0	0	109.2	S678 R679 I680 S782 M783	S678-Q720 PolarHBondContact O-N 2.85Å; R679-Q720 CarbonylContact C-O 3.33Å; R679-Q720 WeakPolarHBondContact CA-O 3.2Å; R679-Q720 HydrophobicContact CG-CB 4.24Å; I680-Q720 PolarHBondContact N-O 2.88Å; Q720-S782 PolarHBondContact NE2-O 3.45Å; Q720-M783 HydrophobicContact CB-SD 3.81Å; Q720-M783 VanDerWaalsContact NE2-C 3.29Å; Q720-M783 PolarHBondContact NE2-O 3.02Å
721	L	97.3	Very high	92.6	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	131.2	-176.3	174	67.1	0	0	0	110.6	I680 I703 I704 L707 P719 Y780 S781 S782	I680-L721 HydrophobicContact CB-CD1 3.98Å; I680-L721 HydrophobicContact CG2-CD1 3.84Å; I680-L721 CarbonylContact O-C 3.51Å; I680-L721 WeakPolarHBondContact O-CA 3.27Å; I703-L721 HydrophobicContact CG2-CD2 4.06Å; I704-L721 HydrophobicContact CG1-CD2 3.9Å; L707-L721 HydrophobicContact CD1-CD1 4.47Å; L707-L721 HydrophobicContact CD1-CD2 4.06Å; P719-L721 PolarHBondContact O-N 2.63Å; L721-Y780 HydrophobicContact CB-CD1 4.38Å; L721-Y780 HydrophobicContact CB-CE1 4.14Å; L721-Y780 HydrophobicContact CD2-CD1 4.08Å; L721-Y780 HydrophobicContact CD2-CE1 4.22Å; L721-Y780 HydrophobicContact CG-CD1 4.15Å; L721-Y780 HydrophobicContact CG-CE1 4.36Å; L721-S781 CarbonylContact O-C 3.58Å; L721-S781 VanDerWaalsContact O-CA 3.29Å; L721-S781 WeakPolarHBondContact O-CA 3.23Å; L721-S782 PolarHBondContact N-OG 3.33Å; L721-S782 PolarHBondContact O-N 3.31Å; L721-S782 PolarHBondContact O-OG 3.47Å
722	A	97.2	Very high	92.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.5	157.5	0	0	0	0	0	110.6	I680 V681 F682 I724 Y780 M783 M790	I680-A722 PolarHBondContact O-N 3.21Å; V681-A722 HydrophobicContact CG2-CB 4.47Å; F682-A722 PolarHBondContact N-O 3.12Å; A722-I724 HydrophobicContact CB-CD1 4.47Å; A722-I724 HydrophobicContact CB-CG1 4.39Å; A722-Y780 WeakPolarHBondContact CA-O 3.24Å; A722-M783 HydrophobicContact CB-CG 3.57Å; A722-M790 HydrophobicContact CB-CE 3.56Å
723	Y	96.6	Very high	92.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	118.8	174	-171.1	-71.2	0	0	0	109.1	F682 R684 L695 E699 V700 I703 V725 L779 Y780	F682-Y723 HydrophobicContact CB-CD2 4.21Å; F682-Y723 AromaticContact CD1-CD2 3.65Å; F682-Y723 HydrophobicContact CD1-CD2 3.65Å; F682-Y723 AromaticContact CD1-CE2 3.44Å; F682-Y723 HydrophobicContact CD1-CE2 3.44Å; F682-Y723 VanDerWaalsContact CD1-CE2 3.44Å; F682-Y723 HydrophobicContact CD1-CG 4.4Å; F682-Y723 HydrophobicContact CE1-CD2 4.27Å; F682-Y723 AromaticContact CE1-CE2 3.59Å; F682-Y723 HydrophobicContact CE1-CE2 3.59Å; F682-Y723 HydrophobicContact CG-CD2 4.03Å; F682-Y723 HydrophobicContact CG-CE2 4.17Å; F682-Y723 HydrophobicContact CZ-CE2 4.4Å; R684-Y723 HydrophobicContact CB-CE1 3.97Å; R684-Y723 WeakPolarHBondContact CD-OH 3.28Å; R684-Y723 HydrophobicContact CG-CE1 4.43Å; R684-Y723 VanDerWaalsContact CG-OH 3.27Å; R684-Y723 WeakPolarHBondContact CG-OH 3.29Å; L695-Y723 HydrophobicContact CD2-CE1 3.82Å; L695-Y723 WeakPolarHBondContact CD2-OH 3.47Å; E699-Y723 PolarHBondContact OE2-OH 3.39Å; V700-Y723 HydrophobicContact CG2-CD1 3.75Å; V700-Y723 HydrophobicContact CG2-CD2 3.9Å; V700-Y723 HydrophobicContact CG2-CE1 3.93Å; V700-Y723 HydrophobicContact CG2-CE2 4.03Å; V700-Y723 HydrophobicContact CG2-CG 3.75Å; I703-Y723 HydrophobicContact CD1-CD2 4.31Å; I703-Y723 HydrophobicContact CD1-CE2 4.01Å; Y723-V725 HydrophobicContact CE1-CG2 4Å; Y723-L779 HydrophobicContact CD1-CB 4.19Å; Y723-L779 HydrophobicContact CD1-CD1 3.93Å; Y723-L779 HydrophobicContact CD1-CG 4.12Å; Y723-L779 HydrophobicContact CE1-CD1 3.88Å; Y723-L779 HydrophobicContact CE1-CG 4.48Å; Y723-L779 PolarHBondContact O-N 3Å; Y723-Y780 PolarHBondContact N-O 3.43Å
724	I	96.7	Very high	92.2	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	116.3	-169	-48.4	178.6	0	0	0	109.6	V681 F682 Y683 R684 A722 Y776 N777 V778 M790	V681-I724 HydrophobicContact CG1-CD1 3.98Å; F682-I724 PolarHBondContact O-N 3.45Å; Y683-I724 WeakPolarHBondContact CA-O 3.26Å; Y683-I724 HydrophobicContact CD1-CB 3.95Å; Y683-I724 HydrophobicContact CD1-CD1 4.22Å; Y683-I724 HydrophobicContact CD1-CG2 4.16Å; Y683-I724 HydrophobicContact CE1-CB 4.25Å; Y683-I724 HydrophobicContact CE1-CD1 3.7Å; Y683-I724 HydrophobicContact CE1-CG2 4.28Å; R684-I724 PolarHBondContact N-O 3.37Å; A722-I724 HydrophobicContact CB-CD1 4.47Å; A722-I724 HydrophobicContact CB-CG1 4.39Å; I724-Y776 HydrophobicContact CG2-CD1 4.19Å; I724-N777 CarbonylContact C-O 3.55Å; I724-N777 WeakPolarHBondContact CA-O 3.49Å; I724-V778 HydrophobicContact CG1-CG2 4.26Å; I724-V778 HydrophobicContact CG2-CG2 4.49Å; I724-M790 HydrophobicContact CD1-CE 3.73Å
725	V	95.1	Very high	92.1	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	126.8	170.4	174.6	0	0	0	0	109.4	R684 V687 L692 L695 Y723 Y776 N777 L779	R684-V725 HydrophobicContact CB-CG2 4.36Å; V687-V725 HydrophobicContact CB-CG1 4.12Å; L692-V725 HydrophobicContact CD2-CB 4.43Å; L692-V725 HydrophobicContact CD2-CG1 4.21Å; L692-V725 HydrophobicContact CD2-CG2 4.04Å; L695-V725 HydrophobicContact CD2-CG2 3.57Å; Y723-V725 HydrophobicContact CE1-CG2 4Å; V725-Y776 WeakPolarHBondContact O-CA 3.45Å; V725-N777 PolarHBondContact N-O 2.88Å; V725-N777 PolarHBondContact O-N 2.83Å; V725-L779 HydrophobicContact CG2-CD1 3.63Å; V725-L779 HydrophobicContact CG2-CD2 4.26Å; V725-L779 HydrophobicContact CG2-CG 3.91Å
726	V	95.4	Very high	92.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	109.4	178.6	-174.8	0	0	0	0	108.4	Y683 R684 T774 Y776 V810	Y683-V726 HydrophobicContact CD1-CG2 3.72Å; Y683-V726 HydrophobicContact CG-CG2 4.27Å; R684-V726 PolarHBondContact O-N 3.46Å; V726-T774 HydrophobicContact CG1-CG2 3.51Å; V726-Y776 HydrophobicContact CB-CE1 4.44Å; V726-Y776 HydrophobicContact CG1-CD1 4.35Å; V726-Y776 HydrophobicContact CG1-CE1 3.86Å; V726-Y776 HydrophobicContact CG2-CD1 3.9Å; V726-Y776 HydrophobicContact CG2-CE1 3.86Å; V726-V810 HydrophobicContact CG1-CB 4.2Å; V726-V810 HydrophobicContact CG1-CG1 3.82Å
727	T	90.9	Very high	91.8	Very high	54 Å²	54	35.2 Å²	35.2	33%	0.331	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120.7	179.2	-55.7	0	0	0	0	110.6	S729 S775	T727-S729 PolarHBondContact O-N 2.79Å; T727-S775 PolarHBondContact N-O 2.76Å; T727-S775 PolarHBondContact O-N 2.71Å
728	R	86	Confident	91.4	Very high	58 Å²	58	31.7 Å²	31.7	22%	0.219	17%	0.172	C	C	.	.			trans	-72.5	74.1	172.8	-69.1	-172.3	-171.3	80.9	5.4	110.9	D685 M730 R809 V810 K818	D685-R728 IonicContact OD1-CZ 2.67Å; D685-R728 IonicContact OD1-NH1 2.78Å; D685-R728 PolarHBondContact OD1-NH1 3.36Å; D685-R728 IonicContact OD2-CZ 2.79Å; D685-R728 IonicContact OD2-NH1 2.67Å; D685-R728 PolarHBondContact OD2-NH1 3.47Å; D685-R728 IonicContact OD2-NH2 2.84Å; D685-R728 PolarHBondContact OD2-NH2 2.75Å; R728-M730 PolarHBondContact O-N 3.37Å; R728-R809 VanDerWaalsContact C-NH2 3.25Å; R728-V810 HydrophobicContact CG-CG1 4.16Å; R728-K818 VanDerWaalsContact NH1-NZ 3.19Å
729	S	75.3	Confident	91.2	Very high	17 Å²	17	34.9 Å²	34.9	12%	0.119	18%	0.182	C	C	.	.			trans	-54.3	130	177.9	-168.5	0	0	0	0	110.7	T727 T732 R809	T727-S729 PolarHBondContact O-N 2.79Å; S729-T732 WeakPolarHBondContact OG-CB 3.45Å; S729-T732 PolarHBondContact OG-N 3.48Å; S729-T732 VanDerWaalsContact OG-N 3.1Å; S729-T732 PolarHBondContact OG-OG1 2.87Å; S729-R809 PolarHBondContact O-NH2 2.7Å
730	M	72.2	Confident	91.1	Very high	116 Å²	116	36.3 Å²	36.3	57%	0.571	19%	0.188	S	C	*	.	S	Bend	trans	-105	-20.5	170	-65.6	-175.4	62.2	0	0	110.9	E253 R728 R733	E253-M730 VanDerWaalsContact OE1-O 3.12Å; R728-M730 PolarHBondContact O-N 3.37Å; M730-R733 PolarHBondContact O-NE 3.41Å; M730-R733 PolarHBondContact O-NH2 3.35Å; M730-R733 VanDerWaalsContact O-NH2 3.16Å
731	N	85.3	Confident	91	Very high	54 Å²	54	33.7 Å²	33.7	29%	0.289	18%	0.176	S	C	.	.	S	Bend	trans	-90	-32.7	-172.5	-53	21.1	0	0	0	111.7	N102 E238	N102-N731 PolarHBondContact ND2-O 3.06Å; N102-N731 PolarHBondContact OD1-O 2.87Å; E238-N731 VanDerWaalsContact CD-ND2 3.28Å; E238-N731 PolarHBondContact OE1-ND2 2.89Å
732	T	91.5	Very high	90.9	Very high	8 Å²	8	35.4 Å²	35.4	5%	0.049	19%	0.188	C	C	.	.			trans	-81	125.4	173.4	-37.9	0	0	0	0	109	F103 S729 I751 Y760 P773	F103-T732 HydrophobicContact CE2-CG2 3.94Å; F103-T732 HydrophobicContact CZ-CG2 4.37Å; S729-T732 WeakPolarHBondContact OG-CB 3.45Å; S729-T732 PolarHBondContact OG-N 3.48Å; S729-T732 VanDerWaalsContact OG-N 3.1Å; S729-T732 PolarHBondContact OG-OG1 2.87Å; T732-I751 HydrophobicContact CG2-CD1 3.92Å; T732-Y760 HydrophobicContact CG2-CD1 4.14Å; T732-Y760 HydrophobicContact CG2-CD2 4.39Å; T732-Y760 HydrophobicContact CG2-CE1 3.67Å; T732-Y760 HydrophobicContact CG2-CE2 3.95Å; T732-Y760 HydrophobicContact CG2-CG 4.48Å; T732-Y760 VanDerWaalsContact OG1-CE1 3.29Å; T732-Y760 WeakPolarHBondContact OG1-CE1 3.33Å; T732-Y760 PolarHBondContact OG1-OH 3.22Å; T732-Y760 VanDerWaalsContact OG1-OH 3.06Å; T732-P773 VanDerWaalsContact O-CD 3.24Å; T732-P773 WeakPolarHBondContact O-CD 3.34Å; T732-P773 WeakPolarHBondContact O-CG 3.39Å
733	R	92.9	Very high	90.9	Very high	11 Å²	11	35.9 Å²	35.9	4%	0.042	19%	0.191	C	C	.	.			trans	-131.5	149.3	172.6	-55.2	-66.1	-177.8	163.9	-3.4	110.1	T101 N102 E253 M730 F735 T770 V771 S772	T101-R733 CarbonylContact C-O 3.51Å; T101-R733 WeakPolarHBondContact CA-O 3.26Å; N102-R733 HydrophobicContact CB-CB 3.97Å; N102-R733 HydrophobicContact CB-CG 4.49Å; N102-R733 PolarHBondContact N-O 2.89Å; N102-R733 PolarHBondContact OD1-N 2.69Å; N102-R733 PolarHBondContact OD1-O 3.33Å; N102-R733 VanDerWaalsContact OD1-O 3.12Å; E253-R733 IonicContact OE1-CZ 2.76Å; E253-R733 IonicContact OE1-NE 2.7Å; E253-R733 PolarHBondContact OE1-NE 3.08Å; E253-R733 IonicContact OE1-NH2 2.66Å; E253-R733 PolarHBondContact OE1-NH2 3.17Å; M730-R733 PolarHBondContact O-NE 3.41Å; M730-R733 PolarHBondContact O-NH2 3.35Å; M730-R733 VanDerWaalsContact O-NH2 3.16Å; R733-F735 HydrophobicContact CB-CE1 4.49Å; R733-F735 HydrophobicContact CB-CE2 4.22Å; R733-F735 HydrophobicContact CB-CZ 3.88Å; R733-T770 PolarHBondContact NH1-O 2.9Å; R733-V771 VanDerWaalsContact NH1-C 3.34Å; R733-V771 PolarHBondContact NH1-O 3.18Å; R733-S772 PolarHBondContact NH1-OG 3.43Å
734	F	94	Very high	90.9	Very high	5 Å²	5	35.9 Å²	35.9	2%	0.022	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	156.4	165.3	46.3	-93.8	0	0	0	110.2	L99 Q100 T101 P741 T745 V747 I751 Y760 V762 P773	L99-F734 HydrophobicContact CB-CB 4.33Å; L99-F734 HydrophobicContact CD1-CD2 3.93Å; L99-F734 HydrophobicContact CD1-CE2 4.35Å; Q100-F734 CarbonylContact O-C 3.56Å; Q100-F734 WeakPolarHBondContact O-CA 3.44Å; T101-F734 HydrophobicContact CG2-CB 4.4Å; F734-P741 HydrophobicContact CD2-CB 4.48Å; F734-P741 HydrophobicContact CD2-CG 3.76Å; F734-P741 HydrophobicContact CE2-CG 4.21Å; F734-P741 VanDerWaalsContact O-CD 3.29Å; F734-P741 WeakPolarHBondContact O-CD 3.34Å; F734-P741 WeakPolarHBondContact O-CG 3.09Å; F734-T745 HydrophobicContact CE2-CG2 4.05Å; F734-V747 HydrophobicContact CD1-CG2 4.16Å; F734-V747 HydrophobicContact CD2-CG2 4.08Å; F734-V747 HydrophobicContact CE1-CB 4.33Å; F734-V747 HydrophobicContact CE1-CG2 3.99Å; F734-V747 HydrophobicContact CE2-CG2 3.9Å; F734-V747 HydrophobicContact CG-CG2 4.2Å; F734-V747 HydrophobicContact CZ-CB 4.4Å; F734-V747 HydrophobicContact CZ-CG2 3.85Å; F734-I751 HydrophobicContact CD1-CD1 3.96Å; F734-I751 HydrophobicContact CE1-CD1 4.49Å; F734-Y760 HydrophobicContact CE1-CG 4.24Å; F734-V762 HydrophobicContact CE2-CG2 3.57Å; F734-V762 HydrophobicContact CZ-CG2 3.81Å; F734-P773 HydrophobicContact CD1-CG 4.32Å; F734-P773 HydrophobicContact CE1-CB 3.72Å; F734-P773 HydrophobicContact CE1-CG 3.78Å; F734-P773 HydrophobicContact CZ-CB 3.76Å; F734-P773 HydrophobicContact CZ-CG 4.28Å
735	F	93.9	Very high	91	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	138.4	-165.6	-47.2	-78.5	0	0	0	109	L99 Q100 T101 P395 R398 R733 Q739 T770	L99-F735 WeakPolarHBondContact CA-O 3.46Å; Q100-F735 PolarHBondContact N-O 3.45Å; Q100-F735 VanDerWaalsContact O-CD2 3.26Å; Q100-F735 WeakPolarHBondContact O-CD2 3.46Å; Q100-F735 PolarHBondContact O-N 2.83Å; T101-F735 WeakPolarHBondContact O-CE2 3.48Å; P395-F735 HydrophobicContact CB-CD1 3.83Å; P395-F735 HydrophobicContact CB-CE1 4.19Å; P395-F735 HydrophobicContact CG-CD1 4.44Å; R398-F735 HydrophobicContact CG-CZ 4.32Å; R733-F735 HydrophobicContact CB-CE1 4.49Å; R733-F735 HydrophobicContact CB-CE2 4.22Å; R733-F735 HydrophobicContact CB-CZ 3.88Å; F735-Q739 VanDerWaalsContact CA-O 3.29Å; F735-Q739 WeakPolarHBondContact CA-O 3.4Å; F735-Q739 WeakPolarHBondContact CB-O 3.46Å; F735-T770 HydrophobicContact CD1-CG2 4.42Å; F735-T770 HydrophobicContact CE1-CG2 3.61Å; F735-T770 HydrophobicContact CZ-CG2 4.44Å
736	L	94.1	Very high	91.1	Very high	35 Å²	35	35.8 Å²	35.8	18%	0.183	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-101.2	117.8	172.1	-178.4	60.3	0	0	0	107.8	V97 M98 L99 I437 G738 Q739 P742	V97-L736 HydrophobicContact CB-CD1 4.04Å; V97-L736 HydrophobicContact CG1-CD1 4.37Å; M98-L736 WeakPolarHBondContact O-CD1 3.29Å; L99-L736 HydrophobicContact CD2-CB 3.84Å; L99-L736 HydrophobicContact CD2-CD1 4.04Å; L99-L736 HydrophobicContact CD2-CG 4.49Å; I437-L736 HydrophobicContact CD1-CD2 4.41Å; L736-G738 PolarHBondContact O-N 3.38Å; L736-G738 VanDerWaalsContact O-N 3.15Å; L736-Q739 PolarHBondContact N-O 3.49Å; L736-Q739 VanDerWaalsContact N-O 3.11Å; L736-Q739 WeakPolarHBondContact O-CA 3.36Å; L736-Q739 WeakPolarHBondContact O-CB 3.45Å; L736-Q739 PolarHBondContact O-N 2.85Å; L736-P742 HydrophobicContact CD2-CG 4.38Å
737	N	89.5	Confident	91.2	Very high	138 Å²	138	35.8 Å²	35.8	74%	0.738	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	40.5	178.4	-57.1	-13.7	0	0	0	114	Q739	N737-Q739 PolarHBondContact O-N 3.08Å
738	G	85.5	Confident	91.3	Very high	20 Å²	20	33.5 Å²	33.5	21%	0.206	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	8.4	-176.4	0	0	0	0	0	115.5	P395 K396 L736	P395-G738 VanDerWaalsContact CB-O 3.26Å; P395-G738 WeakPolarHBondContact CB-O 3.17Å; K396-G738 PolarHBondContact N-O 3.2Å; L736-G738 PolarHBondContact O-N 3.38Å; L736-G738 VanDerWaalsContact O-N 3.15Å
739	Q	92.5	Very high	91.4	Very high	138 Å²	138	31.7 Å²	31.7	65%	0.645	17%	0.17	S	C	*	.	B	Isolated β-bridge	trans	-113.5	178.1	177.8	-53.7	-165	25.2	0	0	112.1	F735 L736 N737	F735-Q739 VanDerWaalsContact CA-O 3.29Å; F735-Q739 WeakPolarHBondContact CA-O 3.4Å; F735-Q739 WeakPolarHBondContact CB-O 3.46Å; L736-Q739 PolarHBondContact N-O 3.49Å; L736-Q739 VanDerWaalsContact N-O 3.11Å; L736-Q739 WeakPolarHBondContact O-CA 3.36Å; L736-Q739 WeakPolarHBondContact O-CB 3.45Å; L736-Q739 PolarHBondContact O-N 2.85Å; N737-Q739 PolarHBondContact O-N 3.08Å
740	N	94.3	Very high	92	Very high	44 Å²	44	32.3 Å²	32.3	24%	0.235	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-69.4	132.1	171.8	-79.6	-41.9	0	0	0	109.4	P395 G769 T770 V771	P395-N740 HydrophobicContact CG-CB 4.27Å; P395-N740 VanDerWaalsContact CG-CG 3.44Å; P395-N740 WeakPolarHBondContact CG-OD1 3.49Å; N740-G769 PolarHBondContact ND2-O 2.87Å; N740-T770 WeakPolarHBondContact OD1-CA 3.41Å; N740-V771 HydrophobicContact CB-CG2 3.73Å; N740-V771 PolarHBondContact OD1-N 3.12Å
741	P	95	Very high	92.9	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.013	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-63.5	146.1	173	-16.9	29.6	0	0	0	111.4	L99 F734 T745 V762	L99-P741 HydrophobicContact CD2-CB 4.48Å; L99-P741 HydrophobicContact CD2-CG 4.43Å; F734-P741 HydrophobicContact CD2-CB 4.48Å; F734-P741 HydrophobicContact CD2-CG 3.76Å; F734-P741 HydrophobicContact CE2-CG 4.21Å; F734-P741 VanDerWaalsContact O-CD 3.29Å; F734-P741 WeakPolarHBondContact O-CD 3.34Å; F734-P741 WeakPolarHBondContact O-CG 3.09Å; P741-T745 HydrophobicContact CB-CG2 3.94Å; P741-T745 WeakPolarHBondContact CB-OG1 3.24Å; P741-V762 HydrophobicContact CB-CG2 4.4Å
742	P	95.7	Very high	93.2	Very high	40 Å²	40	24.2 Å²	24.2	26%	0.26	13%	0.133	S	C	.	.	P	Polyproline II helix	trans	-70.5	161.7	179.2	28.6	-35.1	0	0	0	112.8	I437 L736 G744 T745	I437-P742 HydrophobicContact CD1-CG 3.58Å; I437-P742 HydrophobicContact CG1-CG 4.17Å; L736-P742 HydrophobicContact CD2-CG 4.38Å; P742-G744 PolarHBondContact O-N 3.08Å; P742-T745 WeakPolarHBondContact CD-OG1 3.44Å; P742-T745 WeakPolarHBondContact O-CB 3.46Å; P742-T745 PolarHBondContact O-N 3.44Å; P742-T745 PolarHBondContact O-OG1 3.44Å
743	P	97	Very high	93.1	Very high	10 Å²	10	24.7 Å²	24.7	7%	0.065	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	136.7	166.5	-26.4	36.2	0	0	0	112	A456 V762 Q765 Y795	A456-P743 HydrophobicContact CB-CB 3.66Å; A456-P743 HydrophobicContact CB-CG 3.8Å; P743-V762 CarbonylContact C-O 3.5Å; P743-V762 WeakPolarHBondContact CA-O 3.15Å; P743-Q765 HydrophobicContact CG-CB 3.95Å; P743-Q765 HydrophobicContact CG-CG 4.19Å; P743-Y795 WeakPolarHBondContact CB-OH 3.48Å
744	G	96.8	Very high	92.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	-2.4	-177.6	0	0	0	0	0	114.8	I438 P742 I746 V762 Y795	I438-G744 PolarHBondContact N-O 2.93Å; P742-G744 PolarHBondContact O-N 3.08Å; G744-I746 PolarHBondContact O-N 2.8Å; G744-V762 PolarHBondContact N-O 3.42Å; G744-Y795 VanDerWaalsContact CA-CZ 3.47Å; G744-Y795 PolarHBondContact N-OH 2.7Å
745	T	97.6	Very high	92.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	127.5	174.6	-50.7	0	0	0	0	111.2	L99 R436 F734 P741 P742 L761 V762	L99-T745 HydrophobicContact CD1-CG2 3.65Å; L99-T745 HydrophobicContact CD2-CG2 4.17Å; R436-T745 CarbonylContact O-C 3.57Å; R436-T745 WeakPolarHBondContact O-CA 3.2Å; F734-T745 HydrophobicContact CE2-CG2 4.05Å; P741-T745 HydrophobicContact CB-CG2 3.94Å; P741-T745 WeakPolarHBondContact CB-OG1 3.24Å; P742-T745 WeakPolarHBondContact CD-OG1 3.44Å; P742-T745 WeakPolarHBondContact O-CB 3.46Å; P742-T745 PolarHBondContact O-N 3.44Å; P742-T745 PolarHBondContact O-OG1 3.44Å; T745-L761 WeakPolarHBondContact O-CA 3.2Å; T745-V762 PolarHBondContact O-N 2.84Å
746	I	97.8	Very high	92.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	145	179.2	-66.7	-170	0	0	0	111.1	G435 R436 I438 G744 D748 Y760 L761 Q791	G435-I746 CarbonylContact C-O 3.54Å; G435-I746 WeakPolarHBondContact CA-O 3.48Å; R436-I746 PolarHBondContact N-O 3.4Å; R436-I746 PolarHBondContact O-N 2.84Å; I438-I746 HydrophobicContact CD1-CD1 3.5Å; I438-I746 VanDerWaalsContact CD1-CD1 3.5Å; I438-I746 HydrophobicContact CG1-CD1 4.03Å; G744-I746 PolarHBondContact O-N 2.8Å; I746-D748 HydrophobicContact CG2-CB 4.39Å; I746-Y760 VanDerWaalsContact CA-O 3.27Å; I746-Y760 WeakPolarHBondContact CA-O 3.45Å; I746-L761 HydrophobicContact CD1-CD1 4.13Å; I746-L761 HydrophobicContact CG1-CB 4.15Å; I746-L761 HydrophobicContact CG1-CD1 3.67Å; I746-L761 HydrophobicContact CG1-CG 4.47Å; I746-Q791 HydrophobicContact CD1-CB 3.66Å; I746-Q791 HydrophobicContact CD1-CG 4.03Å
747	V	96.6	Very high	92	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	119.1	167.6	-178	0	0	0	0	109.4	L99 V433 F734 D749 I751 Y760	L99-V747 HydrophobicContact CD1-CG2 3.49Å; L99-V747 VanDerWaalsContact CD1-CG2 3.49Å; V433-V747 HydrophobicContact CG1-CG1 3.61Å; F734-V747 HydrophobicContact CD1-CG2 4.16Å; F734-V747 HydrophobicContact CD2-CG2 4.08Å; F734-V747 HydrophobicContact CE1-CB 4.33Å; F734-V747 HydrophobicContact CE1-CG2 3.99Å; F734-V747 HydrophobicContact CE2-CG2 3.9Å; F734-V747 HydrophobicContact CG-CG2 4.2Å; F734-V747 HydrophobicContact CZ-CB 4.4Å; F734-V747 HydrophobicContact CZ-CG2 3.85Å; V747-D749 WeakPolarHBondContact CG1-O 3.35Å; V747-I751 HydrophobicContact CB-CD1 4.5Å; V747-I751 HydrophobicContact CG1-CD1 3.89Å; V747-I751 HydrophobicContact CG1-CG1 3.65Å; V747-Y760 PolarHBondContact N-O 3.28Å; V747-Y760 PolarHBondContact O-N 2.89Å
748	D	94.1	Very high	92.2	Very high	6 Å²	6	21.6 Å²	21.6	3%	0.032	12%	0.118	C	C	.	.			trans	-131.4	21.4	-175.1	53.9	-14.1	0	0	0	113.2	K90 G91 R436 I746 F759 Q791	K90-D748 VanDerWaalsContact CA-OD2 3.3Å; K90-D748 WeakPolarHBondContact CA-OD2 3.48Å; G91-D748 PolarHBondContact N-OD2 2.89Å; R436-D748 IonicContact CZ-OD2 3.46Å; R436-D748 VanDerWaalsContact NH2-CG 3.35Å; R436-D748 IonicContact NH2-OD1 3.13Å; R436-D748 PolarHBondContact NH2-OD1 2.76Å; R436-D748 IonicContact NH2-OD2 3.54Å; R436-D748 PolarHBondContact NH2-OD2 2.68Å; I746-D748 HydrophobicContact CG2-CB 4.39Å; D748-F759 HydrophobicContact CB-CB 3.85Å; D748-Q791 PolarHBondContact OD2-NE2 2.87Å
749	D	87.8	Confident	92.7	Very high	20 Å²	20	20.7 Å²	20.7	11%	0.107	11%	0.108	C	C	.	.	S	Bend	trans	-146.2	169.4	174.1	-170	23.6	0	0	0	110.7	K90 V747 I751	K90-D749 WeakPolarHBondContact CE-OD2 3.15Å; K90-D749 VanDerWaalsContact NZ-CG 3.34Å; K90-D749 IonicContact NZ-OD2 3.44Å; K90-D749 PolarHBondContact NZ-OD2 3.43Å; V747-D749 WeakPolarHBondContact CG1-O 3.35Å; D749-I751 PolarHBondContact O-N 2.81Å
750	V	88.2	Confident	93	Very high	31 Å²	31	15 Å²	15	19%	0.188	8%	0.081	C	C	.	.	S	Bend	trans	61.3	-45.3	170.5	-169.4	0	0	0	0	117	H244 L249 T431 V433	H244-V750 WeakPolarHBondContact CB-O 3.13Å; L249-V750 HydrophobicContact CD1-CG1 4.43Å; L249-V750 WeakPolarHBondContact CD1-O 3.41Å; T431-V750 HydrophobicContact CG2-CG1 4.03Å; V433-V750 HydrophobicContact CB-CB 4.42Å; V433-V750 HydrophobicContact CG1-CB 3.9Å; V433-V750 HydrophobicContact CG1-CG2 4.03Å; V433-V750 HydrophobicContact CG2-CB 3.71Å; V433-V750 HydrophobicContact CG2-CG1 3.76Å; V433-V750 HydrophobicContact CG2-CG2 4.36Å
751	I	91.3	Very high	93.1	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.07	C	C	.	.	S	Bend	trans	-108.6	-1.3	176.3	57.1	168.9	0	0	0	113.2	T101 F103 H244 L249 V433 T732 F734 V747 D749 Y760	T101-I751 HydrophobicContact CG2-CD1 4.07Å; T101-I751 HydrophobicContact CG2-CG2 4.02Å; F103-I751 HydrophobicContact CB-CG2 4.46Å; F103-I751 HydrophobicContact CD1-CG2 4.49Å; F103-I751 HydrophobicContact CD2-CB 4.45Å; F103-I751 HydrophobicContact CD2-CG2 3.72Å; F103-I751 HydrophobicContact CE2-CB 4.27Å; F103-I751 HydrophobicContact CE2-CG2 4.03Å; F103-I751 HydrophobicContact CG-CG2 3.98Å; H244-I751 PolarHBondContact CE1-O 3.43Å; H244-I751 VanDerWaalsContact CE1-O 3.26Å; H244-I751 VanDerWaalsContact ND1-C 3.32Å; H244-I751 PolarHBondContact ND1-O 3.1Å; H244-I751 VanDerWaalsContact ND1-O 3.16Å; L249-I751 HydrophobicContact CD1-CG2 3.92Å; V433-I751 HydrophobicContact CG2-CG2 4.16Å; T732-I751 HydrophobicContact CG2-CD1 3.92Å; F734-I751 HydrophobicContact CD1-CD1 3.96Å; F734-I751 HydrophobicContact CE1-CD1 4.49Å; V747-I751 HydrophobicContact CB-CD1 4.5Å; V747-I751 HydrophobicContact CG1-CD1 3.89Å; V747-I751 HydrophobicContact CG1-CG1 3.65Å; D749-I751 PolarHBondContact O-N 2.81Å; I751-Y760 HydrophobicContact CD1-CD2 4.47Å; I751-Y760 HydrophobicContact CG1-CD2 4.47Å; I751-Y760 HydrophobicContact CG1-CE2 4.42Å
752	T	91.9	Very high	93.2	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.07	C	C	.	.	S	Bend	trans	-72.1	173.6	163.5	51.5	0	0	0	0	111.4	K89 H244 E245 D758 Y760	K89-T752 WeakPolarHBondContact CE-OG1 3.42Å; H244-T752 PolarHBondContact ND1-O 2.97Å; E245-T752 VanDerWaalsContact CD-OG1 3.28Å; E245-T752 VanDerWaalsContact CG-OG1 3.27Å; E245-T752 WeakPolarHBondContact CG-OG1 3.29Å; E245-T752 VanDerWaalsContact OE1-C 3.27Å; E245-T752 WeakPolarHBondContact OE1-CB 3.15Å; E245-T752 PolarHBondContact OE1-OG1 2.92Å; T752-D758 WeakPolarHBondContact CB-OD1 3.28Å; T752-D758 WeakPolarHBondContact CG2-O 3.41Å; T752-Y760 HydrophobicContact CG2-CD2 4.36Å; T752-Y760 HydrophobicContact CG2-CE2 4.43Å
753	L	88.6	Confident	93.3	Very high	17 Å²	17	11.1 Å²	11.1	9%	0.089	6%	0.058	C	C	.	.			trans	-107.8	134.6	-177.5	-69.8	172.7	0	0	0	112.2	K89 R242 E245 E755 R756 D758	K89-L753 PolarHBondContact NZ-O 2.98Å; R242-L753 HydrophobicContact CB-CD2 4.47Å; E245-L753 PolarHBondContact OE1-N 2.89Å; L753-E755 VanDerWaalsContact C-N 3.28Å; L753-E755 WeakPolarHBondContact CB-OE2 3.25Å; L753-E755 PolarHBondContact O-N 3.19Å; L753-R756 HydrophobicContact CB-CB 4.42Å; L753-R756 HydrophobicContact CB-CG 4.08Å; L753-R756 VanDerWaalsContact CD1-CZ 3.47Å; L753-R756 VanDerWaalsContact CD1-NE 3.33Å; L753-R756 PolarHBondContact O-N 2.93Å; L753-R756 VanDerWaalsContact O-N 3.09Å; L753-D758 PolarHBondContact N-OD1 3.36Å
754	P	86.6	Confident	93.1	Very high	42 Å²	42	13.3 Å²	13.3	27%	0.273	7%	0.068	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-38.1	-172.2	-21.9	31.5	0	0	0	113.2	R82 Q243 H244 R756	R82-P754 WeakPolarHBondContact CD-O 3.45Å; Q243-P754 HydrophobicContact CG-CG 4.44Å; H244-P754 VanDerWaalsContact C-CG 3.47Å; H244-P754 WeakPolarHBondContact O-CG 3.2Å; P754-R756 PolarHBondContact O-N 3.01Å; P754-R756 VanDerWaalsContact O-N 3.13Å
755	E	84.8	Confident	92.9	Very high	39 Å²	39	15.6 Å²	15.6	18%	0.182	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	10.3	-177.6	85.6	-70.6	174.2	0	0	113.4	Y78 N80 T81 R82 L753	Y78-E755 HydrophobicContact CD1-CG 4.25Å; N80-E755 CarbonylContact C-O 3.59Å; N80-E755 VanDerWaalsContact CA-O 3.31Å; N80-E755 WeakPolarHBondContact CA-O 3.4Å; N80-E755 PolarHBondContact OD1-O 3.49Å; T81-E755 PolarHBondContact N-O 2.82Å; R82-E755 PolarHBondContact N-O 3.3Å; L753-E755 VanDerWaalsContact C-N 3.28Å; L753-E755 WeakPolarHBondContact CB-OE2 3.25Å; L753-E755 PolarHBondContact O-N 3.19Å
756	R	88.7	Confident	92.4	Very high	31 Å²	31	18.2 Å²	18.2	12%	0.117	9%	0.094	C	C	.	.	S	Bend	trans	-133.1	146.2	-171.8	-56.8	-175.1	-164.6	-150.5	-9.5	113.4	T81 K89 L753 P754 D758	T81-R756 WeakPolarHBondContact OG1-CA 3.42Å; K89-R756 WeakPolarHBondContact CD-O 3.34Å; K89-R756 PolarHBondContact NZ-O 2.79Å; L753-R756 HydrophobicContact CB-CB 4.42Å; L753-R756 HydrophobicContact CB-CG 4.08Å; L753-R756 VanDerWaalsContact CD1-CZ 3.47Å; L753-R756 VanDerWaalsContact CD1-NE 3.33Å; L753-R756 PolarHBondContact O-N 2.93Å; L753-R756 VanDerWaalsContact O-N 3.09Å; P754-R756 PolarHBondContact O-N 3.01Å; P754-R756 VanDerWaalsContact O-N 3.13Å; R756-D758 VanDerWaalsContact C-N 3.32Å; R756-D758 HydrophobicContact CB-CB 3.92Å; R756-D758 PolarHBondContact O-N 3.32Å
757	Y	92.8	Very high	91.8	Very high	9 Å²	9	27.5 Å²	27.5	4%	0.035	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	77.2	155.7	-178.5	-168.7	0	0	0	108.8	T81 L86 K89 V778 P787	T81-Y757 PolarHBondContact OG1-N 3.46Å; L86-Y757 HydrophobicContact CD2-CD1 3.69Å; L86-Y757 HydrophobicContact CD2-CD2 3.71Å; L86-Y757 HydrophobicContact CD2-CE1 4.07Å; L86-Y757 HydrophobicContact CD2-CE2 4.1Å; L86-Y757 HydrophobicContact CD2-CG 3.5Å; K89-Y757 HydrophobicContact CB-CD2 3.88Å; K89-Y757 HydrophobicContact CB-CE2 4.23Å; Y757-V778 HydrophobicContact CD1-CB 3.59Å; Y757-V778 HydrophobicContact CD1-CG1 3.76Å; Y757-V778 HydrophobicContact CD1-CG2 3.94Å; Y757-V778 HydrophobicContact CD2-CG2 4.34Å; Y757-V778 HydrophobicContact CE1-CB 4.06Å; Y757-V778 HydrophobicContact CE1-CG1 4Å; Y757-V778 HydrophobicContact CE1-CG2 3.99Å; Y757-V778 HydrophobicContact CE2-CG2 4.37Å; Y757-V778 HydrophobicContact CG-CB 3.88Å; Y757-V778 HydrophobicContact CG-CG2 4.12Å; Y757-V778 WeakPolarHBondContact O-CB 3.35Å; Y757-V778 PolarHBondContact O-N 3.32Å; Y757-P787 HydrophobicContact CE2-CB 4.21Å; Y757-P787 HydrophobicContact CE2-CG 4.25Å; Y757-P787 WeakPolarHBondContact OH-CA 3.23Å
758	D	93.5	Very high	91	Very high	4 Å²	4	34 Å²	34	2%	0.021	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	154.8	-179.6	67.6	-15.2	0	0	0	114.1	K89 T752 L753 R756 Y776 N777	K89-D758 IonicContact NZ-OD1 3.61Å; K89-D758 PolarHBondContact NZ-OD1 2.83Å; T752-D758 WeakPolarHBondContact CB-OD1 3.28Å; T752-D758 WeakPolarHBondContact CG2-O 3.41Å; L753-D758 PolarHBondContact N-OD1 3.36Å; R756-D758 VanDerWaalsContact C-N 3.32Å; R756-D758 HydrophobicContact CB-CB 3.92Å; R756-D758 PolarHBondContact O-N 3.32Å; D758-Y776 CarbonylContact C-O 3.57Å; D758-Y776 WeakPolarHBondContact CA-O 3.23Å; D758-Y776 WeakPolarHBondContact CB-O 3.37Å; D758-N777 HydrophobicContact CB-CB 4.11Å
759	F	96.3	Very high	90.7	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.009	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	160.8	173.5	63.9	-88.1	0	0	0	111.4	D748 L761 S775 Y776 Q791 T794	D748-F759 HydrophobicContact CB-CB 3.85Å; F759-L761 HydrophobicContact CD2-CB 4.4Å; F759-L761 HydrophobicContact CE2-CB 4.28Å; F759-S775 WeakPolarHBondContact O-CA 3.38Å; F759-Y776 HydrophobicContact CD2-CD2 4.15Å; F759-Y776 AromaticContact CE2-CD2 3.65Å; F759-Y776 HydrophobicContact CE2-CD2 3.65Å; F759-Y776 HydrophobicContact CE2-CE2 4.46Å; F759-Y776 AromaticContact CE2-CG 3.84Å; F759-Y776 HydrophobicContact CE2-CG 3.84Å; F759-Y776 HydrophobicContact CZ-CD2 4.15Å; F759-Y776 AromaticContact CZ-CG 3.84Å; F759-Y776 HydrophobicContact CZ-CG 3.84Å; F759-Y776 PolarHBondContact N-O 3.19Å; F759-Y776 PolarHBondContact O-N 3.49Å; F759-Q791 HydrophobicContact CD1-CG 4.05Å; F759-Q791 HydrophobicContact CD2-CG 3.91Å; F759-Q791 HydrophobicContact CE1-CG 4.04Å; F759-Q791 HydrophobicContact CE2-CB 4.46Å; F759-Q791 HydrophobicContact CE2-CG 3.9Å; F759-Q791 HydrophobicContact CG-CG 3.99Å; F759-Q791 HydrophobicContact CZ-CG 3.97Å; F759-T794 HydrophobicContact CE2-CG2 4.44Å; F759-T794 HydrophobicContact CZ-CG2 4.27Å
760	Y	97.2	Very high	90.7	Very high	18 Å²	18	34 Å²	34	7%	0.071	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	140.2	169.6	-64.6	-84.3	0	0	0	110.6	T732 F734 I746 V747 I751 T752 P773 T774	T732-Y760 HydrophobicContact CG2-CD1 4.14Å; T732-Y760 HydrophobicContact CG2-CD2 4.39Å; T732-Y760 HydrophobicContact CG2-CE1 3.67Å; T732-Y760 HydrophobicContact CG2-CE2 3.95Å; T732-Y760 HydrophobicContact CG2-CG 4.48Å; T732-Y760 VanDerWaalsContact OG1-CE1 3.29Å; T732-Y760 WeakPolarHBondContact OG1-CE1 3.33Å; T732-Y760 PolarHBondContact OG1-OH 3.22Å; T732-Y760 VanDerWaalsContact OG1-OH 3.06Å; F734-Y760 HydrophobicContact CE1-CG 4.24Å; I746-Y760 VanDerWaalsContact CA-O 3.27Å; I746-Y760 WeakPolarHBondContact CA-O 3.45Å; V747-Y760 PolarHBondContact N-O 3.28Å; V747-Y760 PolarHBondContact O-N 2.89Å; I751-Y760 HydrophobicContact CD1-CD2 4.47Å; I751-Y760 HydrophobicContact CG1-CD2 4.47Å; I751-Y760 HydrophobicContact CG1-CE2 4.42Å; T752-Y760 HydrophobicContact CG2-CD2 4.36Å; T752-Y760 HydrophobicContact CG2-CE2 4.43Å; Y760-P773 HydrophobicContact CD1-CB 4.47Å; Y760-T774 WeakPolarHBondContact CA-O 3.47Å
761	L	97.6	Very high	90.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	129.1	173.3	162.1	67.1	0	0	0	110	T745 I746 F759 S763 T774 Y776 T794 Y795	T745-L761 WeakPolarHBondContact O-CA 3.2Å; I746-L761 HydrophobicContact CD1-CD1 4.13Å; I746-L761 HydrophobicContact CG1-CB 4.15Å; I746-L761 HydrophobicContact CG1-CD1 3.67Å; I746-L761 HydrophobicContact CG1-CG 4.47Å; F759-L761 HydrophobicContact CD2-CB 4.4Å; F759-L761 HydrophobicContact CE2-CB 4.28Å; L761-S763 PolarHBondContact O-N 2.82Å; L761-T774 PolarHBondContact N-O 3.25Å; L761-T774 PolarHBondContact O-N 2.87Å; L761-Y776 HydrophobicContact CB-CD2 4.23Å; L761-Y776 HydrophobicContact CB-CE2 3.85Å; L761-Y776 HydrophobicContact CD2-CE2 4.15Å; L761-Y776 HydrophobicContact CG-CE2 4.42Å; L761-T794 HydrophobicContact CD2-CG2 4.12Å; L761-Y795 HydrophobicContact CD1-CD2 4.05Å; L761-Y795 HydrophobicContact CD1-CG 4.39Å; L761-Y795 HydrophobicContact CD2-CD2 4.29Å
762	V	97.4	Very high	90.8	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.018	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	93	162.2	173.9	0	0	0	0	107.3	F734 P741 P743 G744 T745 V771 P773	F734-V762 HydrophobicContact CE2-CG2 3.57Å; F734-V762 HydrophobicContact CZ-CG2 3.81Å; P741-V762 HydrophobicContact CB-CG2 4.4Å; P743-V762 CarbonylContact C-O 3.5Å; P743-V762 WeakPolarHBondContact CA-O 3.15Å; G744-V762 PolarHBondContact N-O 3.42Å; T745-V762 PolarHBondContact O-N 2.84Å; V762-V771 HydrophobicContact CB-CG1 4.25Å; V762-V771 HydrophobicContact CG1-CG1 3.62Å; V762-V771 HydrophobicContact CG2-CG1 3.63Å; V762-P773 HydrophobicContact CG2-CB 4.06Å
763	S	96.3	Very high	90.9	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.014	17%	0.166	C	C	.	.			trans	-83.1	-33.6	174.8	57.3	0	0	0	0	112.6	L761 T807 T808 R809	L761-S763 PolarHBondContact O-N 2.82Å; S763-T807 WeakPolarHBondContact O-CB 3.49Å; S763-T807 PolarHBondContact O-OG1 2.92Å; S763-T808 WeakPolarHBondContact CB-O 3.04Å; S763-T808 PolarHBondContact OG-O 2.95Å; S763-R809 VanDerWaalsContact OG-CA 3.28Å; S763-R809 WeakPolarHBondContact OG-CA 3.34Å; S763-R809 PolarHBondContact OG-O 3.16Å
764	Q	93.6	Very high	91.3	Very high	56 Å²	56	33.5 Å²	33.5	26%	0.262	16%	0.162	S	C	.	.	S	Bend	trans	-121.9	124.8	-170.4	177.1	171.3	52.4	0	0	112.6	T807 R809	Q764-T807 WeakPolarHBondContact CG-O 3.42Å; Q764-T807 PolarHBondContact NE2-O 2.84Å; Q764-R809 HydrophobicContact CB-CB 4.29Å; Q764-R809 VanDerWaalsContact OE1-N 3.12Å
765	Q	91.4	Very high	91.7	Very high	48 Å²	48	32.2 Å²	32.2	22%	0.224	15%	0.154	C	C	.	.			trans	-66.7	156.4	170.6	55.1	138	-40	0	0	113	N455 P743	N455-Q765 WeakPolarHBondContact O-CG 3.47Å; N455-Q765 PolarHBondContact O-NE2 3.31Å; P743-Q765 HydrophobicContact CG-CB 3.95Å; P743-Q765 HydrophobicContact CG-CG 4.19Å
766	V	88.1	Confident	92.2	Very high	54 Å²	54	30.4 Å²	30.4	33%	0.327	15%	0.145	S	C	.	.			trans	-126.7	131.1	171.6	-54.3	0	0	0	0	111.1	Q768 V771	V766-Q768 VanDerWaalsContact C-N 3.28Å; V766-Q768 WeakPolarHBondContact CG2-O 3.44Å; V766-Q768 PolarHBondContact O-N 3.15Å; V766-V771 HydrophobicContact CG1-CG2 4.4Å; V766-V771 HydrophobicContact CG2-CG2 3.87Å
767	R	84.5	Confident	92.4	Very high	196 Å²	196	29.2 Å²	29.2	74%	0.74	14%	0.141	S	C	*	.	S	Bend	trans	-74.1	-15.2	179.6	-60.2	-175	-175.4	-176.1	1.7	114	D457	D457-R767 IonicContact OD2-NH2 2.91Å; D457-R767 PolarHBondContact OD2-NH2 2.88Å
768	Q	81.3	Confident	92.5	Very high	136 Å²	136	28.9 Å²	28.9	64%	0.636	14%	0.14	S	C	*	.	S	Bend	trans	-149.3	147.7	179.8	-70	-174.8	-10.9	0	0	110.2	R392 V766	R392-Q768 VanDerWaalsContact NH1-OE1 3.14Å; V766-Q768 VanDerWaalsContact C-N 3.28Å; V766-Q768 WeakPolarHBondContact CG2-O 3.44Å; V766-Q768 PolarHBondContact O-N 3.15Å
769	G	87.4	Confident	92.5	Very high	12 Å²	12	29 Å²	29	12%	0.124	14%	0.141	C	C	.	.	S	Bend	trans	73.2	-160.6	-179.2	0	0	0	0	0	113.3	M393 N740	M393-G769 CarbonylContact O-C 3.51Å; M393-G769 VanDerWaalsContact O-CA 3.31Å; M393-G769 WeakPolarHBondContact O-CA 3.48Å; N740-G769 PolarHBondContact ND2-O 2.87Å
770	T	87.8	Confident	92.3	Very high	15 Å²	15	32.8 Å²	32.8	9%	0.092	16%	0.155	C	C	.	.			trans	-99.7	134.2	-176.7	-39.1	0	0	0	0	112	M393 R398 R733 F735 N740 S772	M393-T770 PolarHBondContact O-N 2.77Å; M393-T770 PolarHBondContact O-OG1 2.99Å; R398-T770 PolarHBondContact NE-OG1 2.86Å; R398-T770 PolarHBondContact NH2-OG1 2.8Å; R733-T770 PolarHBondContact NH1-O 2.9Å; F735-T770 HydrophobicContact CD1-CG2 4.42Å; F735-T770 HydrophobicContact CE1-CG2 3.61Å; F735-T770 HydrophobicContact CZ-CG2 4.44Å; N740-T770 WeakPolarHBondContact OD1-CA 3.41Å; T770-S772 PolarHBondContact O-N 2.89Å
771	V	90.3	Very high	92.1	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.024	17%	0.165	C	C	.	.			trans	-55	136.3	167.6	165.3	0	0	0	0	109.9	R733 N740 V762 V766	R733-V771 VanDerWaalsContact NH1-C 3.34Å; R733-V771 PolarHBondContact NH1-O 3.18Å; N740-V771 HydrophobicContact CB-CG2 3.73Å; N740-V771 PolarHBondContact OD1-N 3.12Å; V762-V771 HydrophobicContact CB-CG1 4.25Å; V762-V771 HydrophobicContact CG1-CG1 3.62Å; V762-V771 HydrophobicContact CG2-CG1 3.63Å; V766-V771 HydrophobicContact CG1-CG2 4.4Å; V766-V771 HydrophobicContact CG2-CG2 3.87Å
772	S	90.3	Very high	92	Very high	30 Å²	30	36 Å²	36	21%	0.21	18%	0.18	C	C	.	.			trans	-110.8	104.6	173.1	-47.3	0	0	0	0	107	R733 T770 R809	R733-S772 PolarHBondContact NH1-OG 3.43Å; T770-S772 PolarHBondContact O-N 2.89Å; S772-R809 VanDerWaalsContact CB-NH2 3.32Å; S772-R809 PolarHBondContact O-NE 3.04Å; S772-R809 PolarHBondContact O-NH2 2.87Å; S772-R809 VanDerWaalsContact O-NH2 3.16Å
773	P	94.6	Very high	91.6	Very high	2 Å²	2	36 Å²	36	1%	0.013	18%	0.18	C	C	.	.			trans	-63	161.7	-177.6	27	-34.8	0	0	0	111.4	T732 F734 Y760 V762 R809	T732-P773 VanDerWaalsContact O-CD 3.24Å; T732-P773 WeakPolarHBondContact O-CD 3.34Å; T732-P773 WeakPolarHBondContact O-CG 3.39Å; F734-P773 HydrophobicContact CD1-CG 4.32Å; F734-P773 HydrophobicContact CE1-CB 3.72Å; F734-P773 HydrophobicContact CE1-CG 3.78Å; F734-P773 HydrophobicContact CZ-CB 3.76Å; F734-P773 HydrophobicContact CZ-CG 4.28Å; Y760-P773 HydrophobicContact CD1-CB 4.47Å; V762-P773 HydrophobicContact CG2-CB 4.06Å; P773-R809 PolarHBondContact O-NH2 3.01Å
774	T	96.1	Very high	91.2	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	129.9	172.1	-61.5	0	0	0	0	108.7	V726 Y760 L761 Y776 R809 V810	V726-T774 HydrophobicContact CG1-CG2 3.51Å; Y760-T774 WeakPolarHBondContact CA-O 3.47Å; L761-T774 PolarHBondContact N-O 3.25Å; L761-T774 PolarHBondContact O-N 2.87Å; T774-Y776 HydrophobicContact CG2-CD2 4.19Å; T774-Y776 HydrophobicContact CG2-CE1 4.2Å; T774-Y776 HydrophobicContact CG2-CE2 3.48Å; T774-Y776 VanDerWaalsContact CG2-CE2 3.48Å; T774-Y776 WeakPolarHBondContact O-CD2 3.25Å; T774-Y776 WeakPolarHBondContact O-CE2 3.43Å; T774-R809 WeakPolarHBondContact CB-O 3.44Å; T774-R809 WeakPolarHBondContact OG1-CG 3.18Å; T774-R809 PolarHBondContact OG1-NE 2.91Å; T774-R809 PolarHBondContact OG1-O 3.42Å; T774-V810 HydrophobicContact CG2-CG1 4.23Å
775	S	95	Very high	91	Very high	15 Å²	15	38.6 Å²	38.6	11%	0.105	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	136.8	174.4	-178.5	0	0	0	0	109	T727 F759	T727-S775 PolarHBondContact N-O 2.76Å; T727-S775 PolarHBondContact O-N 2.71Å; F759-S775 WeakPolarHBondContact O-CA 3.38Å
776	Y	95.9	Very high	91.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	114.8	177.1	-64.1	-92.6	0	0	0	107.2	Y683 I724 V725 V726 D758 F759 L761 T774 T794 P811	Y683-Y776 HydrophobicContact CE1-CD1 4.35Å; Y683-Y776 HydrophobicContact CE1-CE1 4.42Å; I724-Y776 HydrophobicContact CG2-CD1 4.19Å; V725-Y776 WeakPolarHBondContact O-CA 3.45Å; V726-Y776 HydrophobicContact CB-CE1 4.44Å; V726-Y776 HydrophobicContact CG1-CD1 4.35Å; V726-Y776 HydrophobicContact CG1-CE1 3.86Å; V726-Y776 HydrophobicContact CG2-CD1 3.9Å; V726-Y776 HydrophobicContact CG2-CE1 3.86Å; D758-Y776 CarbonylContact C-O 3.57Å; D758-Y776 WeakPolarHBondContact CA-O 3.23Å; D758-Y776 WeakPolarHBondContact CB-O 3.37Å; F759-Y776 HydrophobicContact CD2-CD2 4.15Å; F759-Y776 AromaticContact CE2-CD2 3.65Å; F759-Y776 HydrophobicContact CE2-CD2 3.65Å; F759-Y776 HydrophobicContact CE2-CE2 4.46Å; F759-Y776 AromaticContact CE2-CG 3.84Å; F759-Y776 HydrophobicContact CE2-CG 3.84Å; F759-Y776 HydrophobicContact CZ-CD2 4.15Å; F759-Y776 AromaticContact CZ-CG 3.84Å; F759-Y776 HydrophobicContact CZ-CG 3.84Å; F759-Y776 PolarHBondContact N-O 3.19Å; F759-Y776 PolarHBondContact O-N 3.49Å; L761-Y776 HydrophobicContact CB-CD2 4.23Å; L761-Y776 HydrophobicContact CB-CE2 3.85Å; L761-Y776 HydrophobicContact CD2-CE2 4.15Å; L761-Y776 HydrophobicContact CG-CE2 4.42Å; T774-Y776 HydrophobicContact CG2-CD2 4.19Å; T774-Y776 HydrophobicContact CG2-CE1 4.2Å; T774-Y776 HydrophobicContact CG2-CE2 3.48Å; T774-Y776 VanDerWaalsContact CG2-CE2 3.48Å; T774-Y776 WeakPolarHBondContact O-CD2 3.25Å; T774-Y776 WeakPolarHBondContact O-CE2 3.43Å; Y776-T794 HydrophobicContact CD1-CG2 3.61Å; Y776-T794 HydrophobicContact CD2-CG2 4.35Å; Y776-T794 HydrophobicContact CE1-CG2 3.27Å; Y776-T794 HydrophobicContact CE2-CG2 4.08Å; Y776-T794 HydrophobicContact CG-CG2 4.13Å; Y776-P811 HydrophobicContact CE1-CG 3.9Å
777	N	94	Very high	91.3	Very high	6 Å²	6	36 Å²	36	3%	0.032	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	111.9	177.3	-179.3	17.3	0	0	0	108.9	T81 I724 V725 D758 L779	T81-N777 PolarHBondContact OG1-OD1 3.44Å; T81-N777 VanDerWaalsContact OG1-OD1 3.05Å; I724-N777 CarbonylContact C-O 3.55Å; I724-N777 WeakPolarHBondContact CA-O 3.49Å; V725-N777 PolarHBondContact N-O 2.88Å; V725-N777 PolarHBondContact O-N 2.83Å; D758-N777 HydrophobicContact CB-CB 4.11Å; N777-L779 WeakPolarHBondContact ND2-CD2 3.33Å; N777-L779 PolarHBondContact O-N 2.96Å
778	V	94.5	Very high	91.8	Very high	2 Å²	2	28 Å²	28	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	113.3	175.1	-173.2	0	0	0	0	107.4	T81 I724 Y757 Y780	T81-V778 WeakPolarHBondContact CB-O 3.44Å; T81-V778 PolarHBondContact OG1-O 3.07Å; I724-V778 HydrophobicContact CG1-CG2 4.26Å; I724-V778 HydrophobicContact CG2-CG2 4.49Å; Y757-V778 HydrophobicContact CD1-CB 3.59Å; Y757-V778 HydrophobicContact CD1-CG1 3.76Å; Y757-V778 HydrophobicContact CD1-CG2 3.94Å; Y757-V778 HydrophobicContact CD2-CG2 4.34Å; Y757-V778 HydrophobicContact CE1-CB 4.06Å; Y757-V778 HydrophobicContact CE1-CG1 4Å; Y757-V778 HydrophobicContact CE1-CG2 3.99Å; Y757-V778 HydrophobicContact CE2-CG2 4.37Å; Y757-V778 HydrophobicContact CG-CB 3.88Å; Y757-V778 HydrophobicContact CG-CG2 4.12Å; Y757-V778 WeakPolarHBondContact O-CB 3.35Å; Y757-V778 PolarHBondContact O-N 3.32Å; V778-Y780 WeakPolarHBondContact CG1-O 3.37Å
779	L	92.5	Very high	92.4	Very high	8 Å²	8	26.8 Å²	26.8	4%	0.042	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-29.1	177.9	-54.7	-168.5	0	0	0	112.1	T81 L692 L695 F696 V700 Y723 V725 N777	T81-L779 HydrophobicContact CG2-CD2 3.72Å; L692-L779 HydrophobicContact CD2-CD2 4.42Å; L695-L779 HydrophobicContact CD2-CD1 3.76Å; F696-L779 HydrophobicContact CD2-CB 4.19Å; F696-L779 WeakPolarHBondContact CE2-O 3.49Å; V700-L779 HydrophobicContact CG2-CD1 4.25Å; Y723-L779 HydrophobicContact CD1-CB 4.19Å; Y723-L779 HydrophobicContact CD1-CD1 3.93Å; Y723-L779 HydrophobicContact CD1-CG 4.12Å; Y723-L779 HydrophobicContact CE1-CD1 3.88Å; Y723-L779 HydrophobicContact CE1-CG 4.48Å; Y723-L779 PolarHBondContact O-N 3Å; V725-L779 HydrophobicContact CG2-CD1 3.63Å; V725-L779 HydrophobicContact CG2-CD2 4.26Å; V725-L779 HydrophobicContact CG2-CG 3.91Å; N777-L779 WeakPolarHBondContact ND2-CD2 3.33Å; N777-L779 PolarHBondContact O-N 2.96Å
780	Y	93.3	Very high	92.8	Very high	80 Å²	80	26.2 Å²	26.2	31%	0.314	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	143.3	-179.7	179.2	-91.6	0	0	0	109.3	V700 I704 L721 A722 Y723 V778	V700-Y780 HydrophobicContact CG1-CG 4.32Å; I704-Y780 HydrophobicContact CD1-CD1 4.12Å; I704-Y780 HydrophobicContact CD1-CD2 3.83Å; I704-Y780 HydrophobicContact CD1-CE1 4.03Å; I704-Y780 HydrophobicContact CD1-CE2 3.72Å; I704-Y780 HydrophobicContact CD1-CG 4.03Å; I704-Y780 HydrophobicContact CG1-CE1 4.43Å; L721-Y780 HydrophobicContact CB-CD1 4.38Å; L721-Y780 HydrophobicContact CB-CE1 4.14Å; L721-Y780 HydrophobicContact CD2-CD1 4.08Å; L721-Y780 HydrophobicContact CD2-CE1 4.22Å; L721-Y780 HydrophobicContact CG-CD1 4.15Å; L721-Y780 HydrophobicContact CG-CE1 4.36Å; A722-Y780 WeakPolarHBondContact CA-O 3.24Å; Y723-Y780 PolarHBondContact N-O 3.43Å; V778-Y780 WeakPolarHBondContact CG1-O 3.37Å
781	S	92.8	Very high	93.2	Very high	40 Å²	40	25.5 Å²	25.5	28%	0.28	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	114	175.8	168.9	0	0	0	0	112.5	L721	L721-S781 CarbonylContact O-C 3.58Å; L721-S781 VanDerWaalsContact O-CA 3.29Å; L721-S781 WeakPolarHBondContact O-CA 3.23Å
782	S	94	Very high	93.5	Very high	45 Å²	45	28.5 Å²	28.5	32%	0.315	17%	0.169	S	C	.	.			trans	-105.7	19.5	164.7	58.7	0	0	0	0	112.9	Q720 L721 G784	Q720-S782 PolarHBondContact NE2-O 3.45Å; L721-S782 PolarHBondContact N-OG 3.33Å; L721-S782 PolarHBondContact O-N 3.31Å; L721-S782 PolarHBondContact O-OG 3.47Å; S782-G784 PolarHBondContact O-N 3.47Å
783	M	89.9	Confident	93.8	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.02	16%	0.161	C	C	.	.	S	Bend	trans	-72.5	-19.7	-173.6	-72.2	-69	-68.2	0	0	115.8	R679 V681 Q720 A722 L785 M790	R679-M783 HydrophobicContact CB-CE 4.12Å; R679-M783 HydrophobicContact CB-SD 4.23Å; R679-M783 HydrophobicContact CG-CE 4.43Å; V681-M783 HydrophobicContact CG2-CE 3.77Å; V681-M783 HydrophobicContact CG2-SD 4.22Å; Q720-M783 HydrophobicContact CB-SD 3.81Å; Q720-M783 VanDerWaalsContact NE2-C 3.29Å; Q720-M783 PolarHBondContact NE2-O 3.02Å; A722-M783 HydrophobicContact CB-CG 3.57Å; M783-L785 HydrophobicContact CB-CB 4.29Å; M783-L785 HydrophobicContact CB-CD1 4.37Å; M783-L785 HydrophobicContact CB-CG 4.18Å; M783-L785 HydrophobicContact CE-CD1 3.66Å; M783-L785 HydrophobicContact CE-CG 4.45Å; M783-L785 PolarHBondContact O-N 3.4Å; M783-L785 VanDerWaalsContact O-N 3.13Å; M783-M790 HydrophobicContact CB-SD 4.38Å; M783-M790 HydrophobicContact CG-SD 4.48Å
784	G	87.6	Confident	94	Very high	78 Å²	78	27.3 Å²	27.3	80%	0.804	16%	0.161	S	C	*	.			trans	61	16.4	-172.4	0	0	0	0	0	114.4	S782	S782-G784 PolarHBondContact O-N 3.47Å
785	L	90.3	Very high	94.1	Very high	35 Å²	35	27.6 Å²	27.6	18%	0.183	16%	0.162	C	C	.	.			trans	-97.1	131.8	179.7	-68.3	-179.7	0	0	0	110.5	L605 M783 K789 M790	L605-L785 HydrophobicContact CD1-CD1 4.08Å; L605-L785 HydrophobicContact CD2-CD2 4.46Å; M783-L785 HydrophobicContact CB-CB 4.29Å; M783-L785 HydrophobicContact CB-CD1 4.37Å; M783-L785 HydrophobicContact CB-CG 4.18Å; M783-L785 HydrophobicContact CE-CD1 3.66Å; M783-L785 HydrophobicContact CE-CG 4.45Å; M783-L785 PolarHBondContact O-N 3.4Å; M783-L785 VanDerWaalsContact O-N 3.13Å; L785-K789 HydrophobicContact CB-CB 4.17Å; L785-K789 HydrophobicContact CD2-CB 4.26Å; L785-K789 HydrophobicContact CD2-CD 4.07Å; L785-M790 HydrophobicContact CB-CG 3.95Å; L785-M790 HydrophobicContact CB-SD 3.82Å; L785-M790 HydrophobicContact CD1-SD 3.75Å; L785-M790 HydrophobicContact CG-SD 4.39Å
786	S	92.8	Very high	94.2	Very high	33 Å²	33	27.9 Å²	27.9	23%	0.231	16%	0.161	C	C	.	.			trans	-62.4	157.1	173.1	52.5	0	0	0	0	112.1	E788 K789 M790	S786-E788 VanDerWaalsContact C-N 3.3Å; S786-E788 WeakPolarHBondContact CB-OE1 3.3Å; S786-E788 PolarHBondContact O-N 3.5Å; S786-E788 PolarHBondContact OG-OE1 2.9Å; S786-K789 WeakPolarHBondContact O-CB 3.11Å; S786-K789 PolarHBondContact O-N 2.99Å; S786-K789 VanDerWaalsContact OG-CD 3.28Å; S786-K789 WeakPolarHBondContact OG-CD 3.37Å; S786-K789 WeakPolarHBondContact OG-CE 3.48Å; S786-K789 WeakPolarHBondContact OG-CG 3.43Å; S786-M790 PolarHBondContact O-N 3.31Å; S786-M790 VanDerWaalsContact O-N 3.14Å
787	P	93.3	Very high	94.3	Very high	14 Å²	14	27.9 Å²	27.9	9%	0.091	16%	0.161	C	C	.	.	H	α-helix	trans	-53.7	-41.2	-177.7	-28.5	35.7	0	0	0	114	L86 K89 Y757 K789 M790 Q791	L86-P787 HydrophobicContact CD1-CG 4.3Å; K89-P787 WeakPolarHBondContact O-CB 3.15Å; Y757-P787 HydrophobicContact CE2-CB 4.21Å; Y757-P787 HydrophobicContact CE2-CG 4.25Å; Y757-P787 WeakPolarHBondContact OH-CA 3.23Å; P787-K789 VanDerWaalsContact C-N 3.29Å; P787-K789 PolarHBondContact O-N 3.38Å; P787-M790 PolarHBondContact O-N 2.94Å; P787-Q791 VanDerWaalsContact O-CB 3.32Å; P787-Q791 WeakPolarHBondContact O-CB 3.41Å; P787-Q791 WeakPolarHBondContact O-CG 3.41Å; P787-Q791 PolarHBondContact O-N 2.96Å
788	E	93.3	Very high	94.5	Very high	28 Å²	28	27.6 Å²	27.6	13%	0.131	16%	0.159	C	C	.	.	H	α-helix	trans	-63.3	-33.5	176.9	73.6	-97.9	131.6	0	0	113.2	T92 D93 S786 Q791 K792	T92-E788 PolarHBondContact N-OE2 2.95Å; T92-E788 PolarHBondContact OG1-OE2 2.88Å; D93-E788 HydrophobicContact CB-CB 4.06Å; D93-E788 HydrophobicContact CB-CG 4.31Å; D93-E788 WeakPolarHBondContact OD2-CG 3.46Å; S786-E788 VanDerWaalsContact C-N 3.3Å; S786-E788 WeakPolarHBondContact CB-OE1 3.3Å; S786-E788 PolarHBondContact O-N 3.5Å; S786-E788 PolarHBondContact OG-OE1 2.9Å; E788-Q791 PolarHBondContact O-N 3.31Å; E788-K792 WeakPolarHBondContact O-CB 3.4Å; E788-K792 PolarHBondContact O-N 2.91Å
789	K	94.7	Very high	94.7	Very high	110 Å²	110	27.5 Å²	27.5	48%	0.478	16%	0.159	S	C	.	.	H	α-helix	trans	-71.2	-40.5	178.6	-66.4	173.2	-169.5	168.3	0	110.7	L785 S786 P787 L793	L785-K789 HydrophobicContact CB-CB 4.17Å; L785-K789 HydrophobicContact CD2-CB 4.26Å; L785-K789 HydrophobicContact CD2-CD 4.07Å; S786-K789 WeakPolarHBondContact O-CB 3.11Å; S786-K789 PolarHBondContact O-N 2.99Å; S786-K789 VanDerWaalsContact OG-CD 3.28Å; S786-K789 WeakPolarHBondContact OG-CD 3.37Å; S786-K789 WeakPolarHBondContact OG-CE 3.48Å; S786-K789 WeakPolarHBondContact OG-CG 3.43Å; P787-K789 VanDerWaalsContact C-N 3.29Å; P787-K789 PolarHBondContact O-N 3.38Å; K789-L793 WeakPolarHBondContact O-CB 3.44Å; K789-L793 PolarHBondContact O-N 3.1Å
790	M	95.3	Very high	94.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-65	-42.9	173.6	-68.4	-59.8	-67.9	0	0	112.1	A722 I724 M783 L785 S786 P787 T794	A722-M790 HydrophobicContact CB-CE 3.56Å; I724-M790 HydrophobicContact CD1-CE 3.73Å; M783-M790 HydrophobicContact CB-SD 4.38Å; M783-M790 HydrophobicContact CG-SD 4.48Å; L785-M790 HydrophobicContact CB-CG 3.95Å; L785-M790 HydrophobicContact CB-SD 3.82Å; L785-M790 HydrophobicContact CD1-SD 3.75Å; L785-M790 HydrophobicContact CG-SD 4.39Å; S786-M790 PolarHBondContact O-N 3.31Å; S786-M790 VanDerWaalsContact O-N 3.14Å; P787-M790 PolarHBondContact O-N 2.94Å; M790-T794 WeakPolarHBondContact O-CB 3.33Å; M790-T794 PolarHBondContact O-N 3.37Å; M790-T794 PolarHBondContact O-OG1 3.34Å
791	Q	97.1	Very high	95.2	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-62.9	-49.5	175	-74.1	167.2	9.1	0	0	112.2	I438 I746 D748 F759 P787 E788 T794 Y795	I438-Q791 HydrophobicContact CD1-CB 4.46Å; I746-Q791 HydrophobicContact CD1-CB 3.66Å; I746-Q791 HydrophobicContact CD1-CG 4.03Å; D748-Q791 PolarHBondContact OD2-NE2 2.87Å; F759-Q791 HydrophobicContact CD1-CG 4.05Å; F759-Q791 HydrophobicContact CD2-CG 3.91Å; F759-Q791 HydrophobicContact CE1-CG 4.04Å; F759-Q791 HydrophobicContact CE2-CB 4.46Å; F759-Q791 HydrophobicContact CE2-CG 3.9Å; F759-Q791 HydrophobicContact CG-CG 3.99Å; F759-Q791 HydrophobicContact CZ-CG 3.97Å; P787-Q791 VanDerWaalsContact O-CB 3.32Å; P787-Q791 WeakPolarHBondContact O-CB 3.41Å; P787-Q791 WeakPolarHBondContact O-CG 3.41Å; P787-Q791 PolarHBondContact O-N 2.96Å; E788-Q791 PolarHBondContact O-N 3.31Å; Q791-T794 WeakPolarHBondContact O-CB 3.46Å; Q791-T794 PolarHBondContact O-N 3.09Å; Q791-Y795 PolarHBondContact O-N 3.14Å
792	K	96.6	Very high	95.4	Very high	66 Å²	66	22.5 Å²	22.5	29%	0.287	13%	0.133	S	C	.	.	H	α-helix	trans	-65.1	-38.4	179.4	-172.5	159.7	63	-172.3	0	111.8	D93 I438 E788 Y795 K796	D93-K792 VanDerWaalsContact CG-NZ 3.32Å; D93-K792 IonicContact OD1-NZ 2.74Å; D93-K792 PolarHBondContact OD1-NZ 3.25Å; D93-K792 WeakPolarHBondContact OD2-CE 3.39Å; D93-K792 IonicContact OD2-NZ 3.72Å; D93-K792 PolarHBondContact OD2-NZ 2.81Å; I438-K792 HydrophobicContact CD1-CB 4.1Å; I438-K792 HydrophobicContact CG2-CG 4.43Å; E788-K792 WeakPolarHBondContact O-CB 3.4Å; E788-K792 PolarHBondContact O-N 2.91Å; K792-Y795 PolarHBondContact O-N 3.38Å; K792-K796 WeakPolarHBondContact O-CG 3.44Å; K792-K796 PolarHBondContact O-N 3.01Å
793	L	97.1	Very high	95.5	Very high	7 Å²	7	23.1 Å²	23.1	4%	0.037	13%	0.133	C	C	.	.	H	α-helix	trans	-61.4	-48.2	169.6	177.4	59.9	0	0	0	111.3	L603 L605 L608 V681 K789 Y795 K796 M797	L603-L793 HydrophobicContact CD1-CD1 3.61Å; L605-L793 HydrophobicContact CD1-CD1 4.28Å; L605-L793 HydrophobicContact CD1-CD2 3.89Å; L608-L793 HydrophobicContact CD2-CD1 4.08Å; L608-L793 HydrophobicContact CD2-CD2 4.25Å; V681-L793 HydrophobicContact CG2-CD2 4.1Å; K789-L793 WeakPolarHBondContact O-CB 3.44Å; K789-L793 PolarHBondContact O-N 3.1Å; L793-Y795 VanDerWaalsContact C-N 3.29Å; L793-Y795 PolarHBondContact O-N 3.01Å; L793-K796 WeakPolarHBondContact O-CB 3.47Å; L793-K796 PolarHBondContact O-N 2.93Å; L793-M797 HydrophobicContact CD1-CG 4.17Å; L793-M797 HydrophobicContact CD1-SD 4.43Å; L793-M797 WeakPolarHBondContact O-CG 3.5Å; L793-M797 PolarHBondContact O-N 2.91Å
794	T	97.9	Very high	95.7	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-57.4	-42.5	178	-58	0	0	0	0	111.7	Y683 F759 L761 Y776 M790 Q791 M797 C798 P811	Y683-T794 HydrophobicContact CE1-CG2 4.06Å; Y683-T794 WeakPolarHBondContact OH-CA 3.42Å; Y683-T794 PolarHBondContact OH-OG1 3.41Å; Y683-T794 VanDerWaalsContact OH-OG1 3.11Å; F759-T794 HydrophobicContact CE2-CG2 4.44Å; F759-T794 HydrophobicContact CZ-CG2 4.27Å; L761-T794 HydrophobicContact CD2-CG2 4.12Å; Y776-T794 HydrophobicContact CD1-CG2 3.61Å; Y776-T794 HydrophobicContact CD2-CG2 4.35Å; Y776-T794 HydrophobicContact CE1-CG2 3.27Å; Y776-T794 HydrophobicContact CE2-CG2 4.08Å; Y776-T794 HydrophobicContact CG-CG2 4.13Å; M790-T794 WeakPolarHBondContact O-CB 3.33Å; M790-T794 PolarHBondContact O-N 3.37Å; M790-T794 PolarHBondContact O-OG1 3.34Å; Q791-T794 WeakPolarHBondContact O-CB 3.46Å; Q791-T794 PolarHBondContact O-N 3.09Å; T794-M797 PolarHBondContact O-N 3.23Å; T794-C798 PolarHBondContact O-N 3.06Å; T794-C798 PolarHBondContact O-SG 3.41Å; T794-P811 HydrophobicContact CG2-CG 4.33Å
795	Y	98	Very high	96	Very high	7 Å²	7	24.8 Å²	24.8	3%	0.027	12%	0.116	C	C	.	.	H	α-helix	trans	-67.6	-44.3	175.8	-174.3	-134.5	0	0	0	112.3	I438 Q441 P743 G744 L761 Q791 K792 L793 M797 C798 H799 T807	I438-Y795 HydrophobicContact CB-CD1 4.12Å; I438-Y795 HydrophobicContact CB-CE1 4.43Å; I438-Y795 HydrophobicContact CG2-CD1 3.88Å; I438-Y795 HydrophobicContact CG2-CE1 4.32Å; Q441-Y795 HydrophobicContact CG-CD1 4.1Å; Q441-Y795 HydrophobicContact CG-CE1 4Å; P743-Y795 WeakPolarHBondContact CB-OH 3.48Å; G744-Y795 VanDerWaalsContact CA-CZ 3.47Å; G744-Y795 PolarHBondContact N-OH 2.7Å; L761-Y795 HydrophobicContact CD1-CD2 4.05Å; L761-Y795 HydrophobicContact CD1-CG 4.39Å; L761-Y795 HydrophobicContact CD2-CD2 4.29Å; Q791-Y795 PolarHBondContact O-N 3.14Å; K792-Y795 PolarHBondContact O-N 3.38Å; L793-Y795 VanDerWaalsContact C-N 3.29Å; L793-Y795 PolarHBondContact O-N 3.01Å; Y795-M797 VanDerWaalsContact C-N 3.3Å; Y795-M797 PolarHBondContact O-N 2.74Å; Y795-C798 WeakPolarHBondContact O-CB 3.19Å; Y795-C798 PolarHBondContact O-N 3.24Å; Y795-H799 AromaticContact CD2-CE1 3.9Å; Y795-H799 AromaticContact CE1-CE1 3.8Å; Y795-H799 AromaticContact CE2-CE1 3.65Å; Y795-H799 AromaticContact CZ-CE1 3.6Å; Y795-H799 PolarHBondContact O-CE1 3.09Å; Y795-H799 PolarHBondContact O-ND1 2.93Å; Y795-T807 HydrophobicContact CE2-CG2 3.95Å
796	K	97.8	Very high	96.2	Very high	21 Å²	21	23.1 Å²	23.1	9%	0.091	11%	0.107	C	C	.	.	H	α-helix	trans	-54	-45.2	171.9	-77.8	176.6	178.2	-66.4	0	111.8	Q441 I601 E602 K792 L793 C798 H799	Q441-K796 VanDerWaalsContact OE1-CG 3.26Å; I601-K796 HydrophobicContact CG1-CB 4.25Å; I601-K796 HydrophobicContact CG1-CG 4.08Å; I601-K796 HydrophobicContact CG2-CB 4.19Å; E602-K796 WeakPolarHBondContact O-CD 3.35Å; E602-K796 VanDerWaalsContact O-CE 3.25Å; E602-K796 WeakPolarHBondContact O-CE 3.42Å; E602-K796 PolarHBondContact O-NZ 2.84Å; K792-K796 WeakPolarHBondContact O-CG 3.44Å; K792-K796 PolarHBondContact O-N 3.01Å; L793-K796 WeakPolarHBondContact O-CB 3.47Å; L793-K796 PolarHBondContact O-N 2.93Å; K796-C798 PolarHBondContact O-N 3.48Å; K796-H799 WeakPolarHBondContact O-CB 3.44Å; K796-H799 PolarHBondContact O-N 3.24Å; K796-H799 PolarHBondContact O-ND1 3.42Å
797	M	98.1	Very high	96.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-66.2	-16.4	178	-62.5	-49.2	-71.9	0	0	113.9	T610 L635 L793 T794 Y795 H799 L800 P811 A812	T610-M797 HydrophobicContact CG2-CE 3.72Å; T610-M797 HydrophobicContact CG2-CG 4.44Å; L635-M797 HydrophobicContact CD1-CE 3.66Å; L635-M797 HydrophobicContact CD1-SD 4.31Å; L793-M797 HydrophobicContact CD1-CG 4.17Å; L793-M797 HydrophobicContact CD1-SD 4.43Å; L793-M797 WeakPolarHBondContact O-CG 3.5Å; L793-M797 PolarHBondContact O-N 2.91Å; T794-M797 PolarHBondContact O-N 3.23Å; Y795-M797 VanDerWaalsContact C-N 3.3Å; Y795-M797 PolarHBondContact O-N 2.74Å; M797-H799 VanDerWaalsContact C-N 3.27Å; M797-H799 PolarHBondContact O-N 3.1Å; M797-L800 HydrophobicContact CE-CD1 3.96Å; M797-L800 HydrophobicContact SD-CD1 3.92Å; M797-P811 HydrophobicContact CB-CB 4.02Å; M797-A812 WeakPolarHBondContact O-CB 3.4Å; M797-A812 PolarHBondContact O-N 2.83Å
798	C	98.1	Very high	96.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-4.5	170.9	-64.7	0	0	0	0	114.1	T794 Y795 K796 T807 T808	T794-C798 PolarHBondContact O-N 3.06Å; T794-C798 PolarHBondContact O-SG 3.41Å; Y795-C798 WeakPolarHBondContact O-CB 3.19Å; Y795-C798 PolarHBondContact O-N 3.24Å; K796-C798 PolarHBondContact O-N 3.48Å; C798-T807 WeakPolarHBondContact O-CA 3.24Å; C798-T808 WeakPolarHBondContact CB-O 3.27Å; C798-T808 PolarHBondContact O-N 3.38Å; C798-T808 PolarHBondContact O-OG1 2.87Å
799	H	98.1	Very high	96.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-7.9	179.1	-64	70.6	0	0	0	113.8	I443 W458 W599 I601 Y795 K796 M797 T807	I443-H799 HydrophobicContact CD1-CB 4.33Å; W458-H799 HydrophobicContact CH2-CB 3.86Å; W458-H799 AromaticContact CH2-CD2 3.7Å; W458-H799 HydrophobicContact CZ2-CB 4.48Å; W458-H799 WeakPolarHBondContact CZ2-O 3.47Å; W458-H799 AromaticContact CZ3-CD2 3.66Å; W599-H799 PolarHBondContact NE1-O 3.09Å; I601-H799 HydrophobicContact CD1-CB 4.21Å; Y795-H799 AromaticContact CD2-CE1 3.9Å; Y795-H799 AromaticContact CE1-CE1 3.8Å; Y795-H799 AromaticContact CE2-CE1 3.65Å; Y795-H799 AromaticContact CZ-CE1 3.6Å; Y795-H799 PolarHBondContact O-CE1 3.09Å; Y795-H799 PolarHBondContact O-ND1 2.93Å; K796-H799 WeakPolarHBondContact O-CB 3.44Å; K796-H799 PolarHBondContact O-N 3.24Å; K796-H799 PolarHBondContact O-ND1 3.42Å; M797-H799 VanDerWaalsContact C-N 3.27Å; M797-H799 PolarHBondContact O-N 3.1Å; H799-T807 WeakPolarHBondContact NE2-CG2 3.2Å
800	L	98	Very high	96.7	Very high	0 Å²	0	17 Å²	17	0%	0	7%	0.074	C	C	.	.			trans	-102.3	21.9	-166.4	-62.9	176.4	0	0	0	115	M600 I601 L635 M797 Y802 A812 Y816	M600-L800 HydrophobicContact CE-CD1 4Å; M600-L800 HydrophobicContact CE-CD2 4.32Å; M600-L800 HydrophobicContact SD-CD1 4.16Å; M600-L800 HydrophobicContact SD-CD2 3.68Å; I601-L800 HydrophobicContact CB-CD2 4.02Å; I601-L800 HydrophobicContact CG2-CD1 3.93Å; I601-L800 HydrophobicContact CG2-CD2 3.98Å; I601-L800 HydrophobicContact CG2-CG 4.1Å; L635-L800 HydrophobicContact CD1-CD1 4.02Å; M797-L800 HydrophobicContact CE-CD1 3.96Å; M797-L800 HydrophobicContact SD-CD1 3.92Å; L800-Y802 HydrophobicContact CD2-CE1 4.45Å; L800-A812 HydrophobicContact CB-CB 3.79Å; L800-A812 WeakPolarHBondContact O-CB 3.25Å; L800-Y816 WeakPolarHBondContact O-CE2 3.27Å; L800-Y816 PolarHBondContact O-OH 3.33Å
801	Y	98.1	Very high	96.9	Very high	20 Å²	20	17 Å²	17	8%	0.078	7%	0.074	C	C	.	.			trans	-96.9	92.4	178.7	178.3	-106.6	0	0	0	111.2	N803 W804 T808 Q815 Y816 L843	Y801-N803 HydrophobicContact CD1-CB 4.38Å; Y801-N803 HydrophobicContact CE1-CB 3.68Å; Y801-N803 HydrophobicContact CE2-CB 4.5Å; Y801-N803 PolarHBondContact O-N 3.05Å; Y801-W804 HydrophobicContact CD1-CB 3.88Å; Y801-W804 HydrophobicContact CE1-CB 4.3Å; Y801-W804 PolarHBondContact O-N 2.89Å; Y801-W804 VanDerWaalsContact O-O 3.07Å; Y801-T808 HydrophobicContact CD1-CG2 3.57Å; Y801-T808 HydrophobicContact CG-CG2 3.96Å; Y801-Q815 HydrophobicContact CD1-CG 4Å; Y801-Q815 HydrophobicContact CD2-CB 3.85Å; Y801-Q815 HydrophobicContact CD2-CG 3.71Å; Y801-Q815 HydrophobicContact CE1-CG 3.94Å; Y801-Q815 HydrophobicContact CE2-CB 4.14Å; Y801-Q815 HydrophobicContact CE2-CG 3.66Å; Y801-Q815 HydrophobicContact CG-CB 4.2Å; Y801-Q815 HydrophobicContact CG-CG 3.88Å; Y801-Y816 AromaticContact CD2-CD1 3.66Å; Y801-Y816 HydrophobicContact CD2-CD1 3.66Å; Y801-Y816 HydrophobicContact CD2-CD2 4.41Å; Y801-Y816 AromaticContact CD2-CE1 3.56Å; Y801-Y816 HydrophobicContact CD2-CE1 3.56Å; Y801-Y816 HydrophobicContact CD2-CE2 4.3Å; Y801-Y816 HydrophobicContact CD2-CG 4.1Å; Y801-Y816 AromaticContact CD2-CZ 3.9Å; Y801-Y816 AromaticContact CE2-CD1 3.66Å; Y801-Y816 HydrophobicContact CE2-CD1 3.66Å; Y801-Y816 AromaticContact CE2-CE1 3.81Å; Y801-Y816 HydrophobicContact CE2-CE1 3.81Å; Y801-Y816 HydrophobicContact CE2-CG 4.36Å; Y801-L843 HydrophobicContact CE2-CD2 4.03Å
802	Y	97.6	Very high	96.9	Very high	3 Å²	3	16.9 Å²	16.9	1%	0.012	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-11	-165.8	-53.4	-38.7	0	0	0	117.2	I588 C592 T597 P598 W599 Y641 L800 W804 Y816 F840	I588-Y802 WeakPolarHBondContact CG2-O 3.27Å; C592-Y802 WeakPolarHBondContact SG-CB 3.21Å; T597-Y802 HydrophobicContact CG2-CE1 4.47Å; T597-Y802 HydrophobicContact CG2-CE2 3.99Å; T597-Y802 WeakPolarHBondContact CG2-OH 3.3Å; P598-Y802 HydrophobicContact CG-CD2 4.44Å; P598-Y802 HydrophobicContact CG-CG 4.14Å; W599-Y802 AromaticContact CD2-CD1 3.82Å; W599-Y802 HydrophobicContact CD2-CD1 3.82Å; W599-Y802 HydrophobicContact CD2-CE1 4.2Å; W599-Y802 AromaticContact CE2-CD1 3.67Å; W599-Y802 HydrophobicContact CE3-CD1 4.08Å; W599-Y802 HydrophobicContact CG-CD1 4.4Å; W599-Y802 HydrophobicContact CG-CE1 4.33Å; W599-Y802 VanDerWaalsContact CH2-CA 3.49Å; W599-Y802 HydrophobicContact CH2-CD1 4.19Å; W599-Y802 AromaticContact CZ2-CD1 3.89Å; W599-Y802 HydrophobicContact CZ2-CD1 3.89Å; W599-Y802 HydrophobicContact CZ3-CD1 4.26Å; W599-Y802 WeakPolarHBondContact O-CE1 3.38Å; W599-Y802 PolarHBondContact O-OH 3.49Å; Y641-Y802 HydrophobicContact CE2-CE2 4.33Å; L800-Y802 HydrophobicContact CD2-CE1 4.45Å; Y802-W804 VanDerWaalsContact C-N 3.28Å; Y802-Y816 WeakPolarHBondContact CD2-OH 3.28Å; Y802-Y816 VanDerWaalsContact CG-OH 3.28Å; Y802-Y816 PolarHBondContact N-OH 3.06Å; Y802-F840 HydrophobicContact CD2-CD2 4.46Å; Y802-F840 AromaticContact CD2-CE2 3.74Å; Y802-F840 HydrophobicContact CD2-CE2 3.74Å; Y802-F840 AromaticContact CD2-CZ 3.81Å; Y802-F840 HydrophobicContact CD2-CZ 3.81Å; Y802-F840 AromaticContact CE2-CE2 3.75Å; Y802-F840 HydrophobicContact CE2-CE2 3.75Å; Y802-F840 AromaticContact CE2-CZ 3.68Å; Y802-F840 HydrophobicContact CE2-CZ 3.68Å
803	N	95.4	Very high	97	Very high	58 Å²	58	13.8 Å²	13.8	31%	0.31	6%	0.06	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	4.2	173.2	-149	17.7	0	0	0	113.2	Y801 L843	Y801-N803 HydrophobicContact CD1-CB 4.38Å; Y801-N803 HydrophobicContact CE1-CB 3.68Å; Y801-N803 HydrophobicContact CE2-CB 4.5Å; Y801-N803 PolarHBondContact O-N 3.05Å; N803-L843 HydrophobicContact CB-CD1 4.39Å; N803-L843 HydrophobicContact CB-CD2 4.11Å
804	W	95	Very high	97	Very high	108 Å²	108	13.4 Å²	13.4	41%	0.409	6%	0.058	S	C	.	.	S	Bend	trans	-142.8	115	174.1	-176	-104.9	0	0	0	109.5	W599 Y801 Y802 G806 T807 T808	W599-W804 WeakPolarHBondContact CH2-O 3.43Å; W599-W804 WeakPolarHBondContact CZ2-O 3.24Å; Y801-W804 HydrophobicContact CD1-CB 3.88Å; Y801-W804 HydrophobicContact CE1-CB 4.3Å; Y801-W804 PolarHBondContact O-N 2.89Å; Y801-W804 VanDerWaalsContact O-O 3.07Å; Y802-W804 VanDerWaalsContact C-N 3.28Å; W804-G806 VanDerWaalsContact CD1-C 3.49Å; W804-G806 VanDerWaalsContact CD1-O 3.27Å; W804-G806 PolarHBondContact O-N 2.96Å; W804-T807 PolarHBondContact NE1-O 3.11Å; W804-T808 HydrophobicContact CB-CG2 4.27Å; W804-T808 HydrophobicContact CG-CG2 4.45Å
805	S	93.4	Very high	97	Very high	9 Å²	9	15.5 Å²	15.5	6%	0.063	7%	0.068	C	C	.	.	S	Bend	trans	-78.8	53.8	-178.9	48.9	0	0	0	0	112.3	W458 Q459	W458-S805 PolarHBondContact N-O 2.87Å; Q459-S805 VanDerWaalsContact CB-OG 3.28Å; Q459-S805 WeakPolarHBondContact CB-OG 3.31Å; Q459-S805 WeakPolarHBondContact CG-OG 3.47Å; Q459-S805 PolarHBondContact N-O 3.45Å
806	G	95.6	Very high	97	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.066	C	C	.	.	B	Isolated β-bridge	trans	-174.1	179.9	-175.2	0	0	0	0	0	110.5	A456 W458 W804	A456-G806 CarbonylContact O-C 3.59Å; A456-G806 WeakPolarHBondContact O-CA 3.25Å; W458-G806 WeakPolarHBondContact CH2-O 3.28Å; W458-G806 VanDerWaalsContact CZ3-C 3.48Å; W804-G806 VanDerWaalsContact CD1-C 3.49Å; W804-G806 VanDerWaalsContact CD1-O 3.27Å; W804-G806 PolarHBondContact O-N 2.96Å
807	T	96.8	Very high	97	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.012	6%	0.062	C	C	.	.			trans	-69.3	140.4	174.1	42.5	0	0	0	0	113.3	A456 S763 Q764 Y795 C798 H799 W804	A456-T807 HydrophobicContact CB-CG2 3.71Å; A456-T807 WeakPolarHBondContact CB-OG1 3.34Å; A456-T807 PolarHBondContact O-N 3.32Å; S763-T807 WeakPolarHBondContact O-CB 3.49Å; S763-T807 PolarHBondContact O-OG1 2.92Å; Q764-T807 WeakPolarHBondContact CG-O 3.42Å; Q764-T807 PolarHBondContact NE2-O 2.84Å; Y795-T807 HydrophobicContact CE2-CG2 3.95Å; C798-T807 WeakPolarHBondContact O-CA 3.24Å; H799-T807 WeakPolarHBondContact NE2-CG2 3.2Å; W804-T807 PolarHBondContact NE1-O 3.11Å
808	T	96.3	Very high	96.9	Very high	6 Å²	6	17.4 Å²	17.4	4%	0.037	8%	0.076	C	C	.	.			trans	-101.2	150.7	171.5	50.1	0	0	0	0	113.4	S763 C798 Y801 W804 V810	S763-T808 WeakPolarHBondContact CB-O 3.04Å; S763-T808 PolarHBondContact OG-O 2.95Å; C798-T808 WeakPolarHBondContact CB-O 3.27Å; C798-T808 PolarHBondContact O-N 3.38Å; C798-T808 PolarHBondContact O-OG1 2.87Å; Y801-T808 HydrophobicContact CD1-CG2 3.57Å; Y801-T808 HydrophobicContact CG-CG2 3.96Å; W804-T808 HydrophobicContact CB-CG2 4.27Å; W804-T808 HydrophobicContact CG-CG2 4.45Å; T808-V810 PolarHBondContact O-N 2.86Å; T808-V810 VanDerWaalsContact O-N 3.08Å; T808-V810 PolarHBondContact OG1-O 2.8Å
809	R	94.6	Very high	96.9	Very high	48 Å²	48	19.8 Å²	19.8	18%	0.181	9%	0.087	C	C	.	.	S	Bend	trans	-57.3	-22.3	-179.8	179.9	169.8	-178.3	-163.3	2.7	115.2	R728 S729 S763 Q764 S772 P773 T774	R728-R809 VanDerWaalsContact C-NH2 3.25Å; S729-R809 PolarHBondContact O-NH2 2.7Å; S763-R809 VanDerWaalsContact OG-CA 3.28Å; S763-R809 WeakPolarHBondContact OG-CA 3.34Å; S763-R809 PolarHBondContact OG-O 3.16Å; Q764-R809 HydrophobicContact CB-CB 4.29Å; Q764-R809 VanDerWaalsContact OE1-N 3.12Å; S772-R809 VanDerWaalsContact CB-NH2 3.32Å; S772-R809 PolarHBondContact O-NE 3.04Å; S772-R809 PolarHBondContact O-NH2 2.87Å; S772-R809 VanDerWaalsContact O-NH2 3.16Å; P773-R809 PolarHBondContact O-NH2 3.01Å; T774-R809 WeakPolarHBondContact CB-O 3.44Å; T774-R809 WeakPolarHBondContact OG1-CG 3.18Å; T774-R809 PolarHBondContact OG1-NE 2.91Å; T774-R809 PolarHBondContact OG1-O 3.42Å
810	V	96.8	Very high	96.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	-131.4	164.3	176.5	-60	0	0	0	0	109.4	V726 R728 T774 T808 C814 Q815	V726-V810 HydrophobicContact CG1-CB 4.2Å; V726-V810 HydrophobicContact CG1-CG1 3.82Å; R728-V810 HydrophobicContact CG-CG1 4.16Å; T774-V810 HydrophobicContact CG2-CG1 4.23Å; T808-V810 PolarHBondContact O-N 2.86Å; T808-V810 VanDerWaalsContact O-N 3.08Å; T808-V810 PolarHBondContact OG1-O 2.8Å; V810-C814 HydrophobicContact CB-CB 4.25Å; V810-C814 HydrophobicContact CG2-CB 3.89Å; V810-Q815 HydrophobicContact CG2-CB 3.96Å
811	P	98.3	Very high	96.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.087	C	C	.	.			trans	-56.9	146.2	174.9	-25.4	37	0	0	0	111.4	Y683 Y776 T794 M797 V813 C814 Q815	Y683-P811 HydrophobicContact CD1-CG 3.87Å; Y683-P811 HydrophobicContact CD2-CB 4.13Å; Y683-P811 HydrophobicContact CD2-CG 4.23Å; Y683-P811 HydrophobicContact CE1-CG 3.88Å; Y683-P811 HydrophobicContact CE2-CB 4.21Å; Y683-P811 HydrophobicContact CE2-CG 4.24Å; Y683-P811 HydrophobicContact CG-CB 4.35Å; Y683-P811 HydrophobicContact CG-CG 4.04Å; Y776-P811 HydrophobicContact CE1-CG 3.9Å; T794-P811 HydrophobicContact CG2-CG 4.33Å; M797-P811 HydrophobicContact CB-CB 4.02Å; P811-V813 VanDerWaalsContact C-N 3.26Å; P811-V813 HydrophobicContact CB-CG2 4.33Å; P811-V813 PolarHBondContact O-N 3.07Å; P811-C814 WeakPolarHBondContact O-CB 3.36Å; P811-C814 PolarHBondContact O-N 3.21Å; P811-Q815 PolarHBondContact O-N 2.76Å
812	A	98.1	Very high	96.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-54.6	-41.9	-172.4	0	0	0	0	0	112.7	M797 L800 C814 Q815 Y816	M797-A812 WeakPolarHBondContact O-CB 3.4Å; M797-A812 PolarHBondContact O-N 2.83Å; L800-A812 HydrophobicContact CB-CB 3.79Å; L800-A812 WeakPolarHBondContact O-CB 3.25Å; A812-C814 VanDerWaalsContact C-N 3.32Å; A812-C814 PolarHBondContact O-N 3.21Å; A812-Q815 CarbonylContact O-C 3.6Å; A812-Q815 PolarHBondContact O-N 3.01Å; A812-Y816 VanDerWaalsContact C-CD2 3.48Å; A812-Y816 HydrophobicContact CB-CD2 4.17Å; A812-Y816 HydrophobicContact CB-CE2 3.86Å; A812-Y816 WeakPolarHBondContact O-CB 3.38Å; A812-Y816 WeakPolarHBondContact O-CD2 3.4Å; A812-Y816 PolarHBondContact O-N 3Å
813	V	98.3	Very high	96.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-57.7	-38.3	176.9	-66.8	0	0	0	0	113.3	T610 I630 Y641 Y683 P811 A817	T610-V813 HydrophobicContact CG2-CG1 4.32Å; T610-V813 HydrophobicContact CG2-CG2 4Å; I630-V813 HydrophobicContact CG2-CG1 4.39Å; Y641-V813 HydrophobicContact CD1-CG1 4.24Å; Y641-V813 HydrophobicContact CE1-CG1 3.76Å; Y683-V813 HydrophobicContact CD2-CG2 3.99Å; P811-V813 VanDerWaalsContact C-N 3.26Å; P811-V813 HydrophobicContact CB-CG2 4.33Å; P811-V813 PolarHBondContact O-N 3.07Å; V813-A817 VanDerWaalsContact O-CB 3.26Å; V813-A817 WeakPolarHBondContact O-CB 3.47Å; V813-A817 PolarHBondContact O-N 3.03Å
814	C	97.7	Very high	96.6	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-68.9	-40.3	173.6	-58.7	0	0	0	0	111.2	Y683 D685 V810 P811 A812 Y816 A817 K818	Y683-C814 WeakPolarHBondContact CB-SG 3.11Å; D685-C814 HydrophobicContact CB-CB 4.32Å; V810-C814 HydrophobicContact CB-CB 4.25Å; V810-C814 HydrophobicContact CG2-CB 3.89Å; P811-C814 WeakPolarHBondContact O-CB 3.36Å; P811-C814 PolarHBondContact O-N 3.21Å; A812-C814 VanDerWaalsContact C-N 3.32Å; A812-C814 PolarHBondContact O-N 3.21Å; C814-Y816 VanDerWaalsContact C-N 3.35Å; C814-A817 PolarHBondContact O-N 2.91Å; C814-K818 VanDerWaalsContact O-CB 3.24Å; C814-K818 WeakPolarHBondContact O-CB 3.28Å; C814-K818 PolarHBondContact O-N 3.16Å
815	Q	97.5	Very high	96.4	Very high	43 Å²	43	13.9 Å²	13.9	20%	0.201	7%	0.067	C	C	.	.	H	α-helix	trans	-70.4	-32.6	-179.1	-166.5	50.6	69	0	0	112.2	Y801 V810 P811 A812 K819	Y801-Q815 HydrophobicContact CD1-CG 4Å; Y801-Q815 HydrophobicContact CD2-CB 3.85Å; Y801-Q815 HydrophobicContact CD2-CG 3.71Å; Y801-Q815 HydrophobicContact CE1-CG 3.94Å; Y801-Q815 HydrophobicContact CE2-CB 4.14Å; Y801-Q815 HydrophobicContact CE2-CG 3.66Å; Y801-Q815 HydrophobicContact CG-CB 4.2Å; Y801-Q815 HydrophobicContact CG-CG 3.88Å; V810-Q815 HydrophobicContact CG2-CB 3.96Å; P811-Q815 PolarHBondContact O-N 2.76Å; A812-Q815 CarbonylContact O-C 3.6Å; A812-Q815 PolarHBondContact O-N 3.01Å; Q815-K819 WeakPolarHBondContact O-CB 3.4Å; Q815-K819 PolarHBondContact O-N 2.68Å; Q815-K819 VanDerWaalsContact O-N 3.14Å
816	Y	98.4	Very high	96.3	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-68.5	-48.9	168.6	-70.7	-54.8	0	0	0	111.7	L800 Y801 Y802 A812 C814 K818 K819 L820 F840 Y842 L843	L800-Y816 WeakPolarHBondContact O-CE2 3.27Å; L800-Y816 PolarHBondContact O-OH 3.33Å; Y801-Y816 AromaticContact CD2-CD1 3.66Å; Y801-Y816 HydrophobicContact CD2-CD1 3.66Å; Y801-Y816 HydrophobicContact CD2-CD2 4.41Å; Y801-Y816 AromaticContact CD2-CE1 3.56Å; Y801-Y816 HydrophobicContact CD2-CE1 3.56Å; Y801-Y816 HydrophobicContact CD2-CE2 4.3Å; Y801-Y816 HydrophobicContact CD2-CG 4.1Å; Y801-Y816 AromaticContact CD2-CZ 3.9Å; Y801-Y816 AromaticContact CE2-CD1 3.66Å; Y801-Y816 HydrophobicContact CE2-CD1 3.66Å; Y801-Y816 AromaticContact CE2-CE1 3.81Å; Y801-Y816 HydrophobicContact CE2-CE1 3.81Å; Y801-Y816 HydrophobicContact CE2-CG 4.36Å; Y802-Y816 WeakPolarHBondContact CD2-OH 3.28Å; Y802-Y816 VanDerWaalsContact CG-OH 3.28Å; Y802-Y816 PolarHBondContact N-OH 3.06Å; A812-Y816 VanDerWaalsContact C-CD2 3.48Å; A812-Y816 HydrophobicContact CB-CD2 4.17Å; A812-Y816 HydrophobicContact CB-CE2 3.86Å; A812-Y816 WeakPolarHBondContact O-CB 3.38Å; A812-Y816 WeakPolarHBondContact O-CD2 3.4Å; A812-Y816 PolarHBondContact O-N 3Å; C814-Y816 VanDerWaalsContact C-N 3.35Å; Y816-K818 VanDerWaalsContact C-N 3.32Å; Y816-K818 PolarHBondContact O-N 3.27Å; Y816-K819 WeakPolarHBondContact O-CB 3.41Å; Y816-K819 PolarHBondContact O-N 3.5Å; Y816-K819 VanDerWaalsContact O-N 3.08Å; Y816-L820 PolarHBondContact O-N 2.86Å; Y816-F840 AromaticContact CD1-CD1 3.91Å; Y816-F840 HydrophobicContact CD1-CD1 3.91Å; Y816-F840 AromaticContact CD1-CE1 3.89Å; Y816-F840 HydrophobicContact CD1-CE1 3.89Å; Y816-F840 HydrophobicContact CD2-CE1 4.1Å; Y816-F840 AromaticContact CE1-CD1 3.54Å; Y816-F840 HydrophobicContact CE1-CD1 3.54Å; Y816-F840 AromaticContact CE1-CE1 3.4Å; Y816-F840 HydrophobicContact CE1-CE1 3.4Å; Y816-F840 VanDerWaalsContact CE1-CE1 3.4Å; Y816-F840 HydrophobicContact CE1-CZ 4.33Å; Y816-F840 AromaticContact CE2-CE1 3.68Å; Y816-F840 HydrophobicContact CE2-CE1 3.68Å; Y816-F840 HydrophobicContact CE2-CZ 4.24Å; Y816-F840 HydrophobicContact CG-CE1 4.21Å; Y816-F840 AromaticContact CZ-CD1 3.93Å; Y816-F840 AromaticContact CZ-CE1 3.28Å; Y816-F840 AromaticContact CZ-CZ 3.86Å; Y816-Y842 AromaticContact CD1-CE2 3.9Å; Y816-Y842 HydrophobicContact CD1-CE2 3.9Å; Y816-Y842 HydrophobicContact CG-CE2 4.34Å; Y816-L843 HydrophobicContact CD1-CD2 4.01Å; Y816-L843 HydrophobicContact CE1-CD1 4.29Å; Y816-L843 HydrophobicContact CE1-CD2 3.97Å
817	A	97.1	Very high	96.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-55.5	-49.3	177.7	0	0	0	0	0	110.8	D614 A628 I630 V813 C814 K819 L820 A821	D614-A817 HydrophobicContact CB-CB 4.09Å; A628-A817 WeakPolarHBondContact CB-O 3.33Å; A628-A817 WeakPolarHBondContact O-CB 3.47Å; I630-A817 HydrophobicContact CG1-CB 3.86Å; I630-A817 VanDerWaalsContact CG1-N 3.33Å; V813-A817 VanDerWaalsContact O-CB 3.26Å; V813-A817 WeakPolarHBondContact O-CB 3.47Å; V813-A817 PolarHBondContact O-N 3.03Å; C814-A817 PolarHBondContact O-N 2.91Å; A817-K819 VanDerWaalsContact C-N 3.35Å; A817-K819 PolarHBondContact O-N 3.14Å; A817-L820 PolarHBondContact O-N 3.37Å; A817-A821 WeakPolarHBondContact O-CB 3.46Å; A817-A821 PolarHBondContact O-N 2.88Å
818	K	95.9	Very high	96.2	Very high	69 Å²	69	17.1 Å²	17.1	30%	0.3	9%	0.085	S	C	.	.	H	α-helix	trans	-55.6	-46.1	174.3	-175.2	158.4	-165.4	140.9	0	113	D614 R728 C814 Y816 T822	D614-K818 HydrophobicContact CB-CB 4.28Å; D614-K818 WeakPolarHBondContact OD2-CA 3.31Å; D614-K818 WeakPolarHBondContact OD2-CB 3.2Å; D614-K818 WeakPolarHBondContact OD2-CD 3.42Å; D614-K818 WeakPolarHBondContact OD2-CG 3.29Å; R728-K818 VanDerWaalsContact NH1-NZ 3.19Å; C814-K818 VanDerWaalsContact O-CB 3.24Å; C814-K818 WeakPolarHBondContact O-CB 3.28Å; C814-K818 PolarHBondContact O-N 3.16Å; Y816-K818 VanDerWaalsContact C-N 3.32Å; Y816-K818 PolarHBondContact O-N 3.27Å; K818-T822 WeakPolarHBondContact O-CB 3.31Å; K818-T822 PolarHBondContact O-N 2.84Å; K818-T822 PolarHBondContact O-OG1 3.19Å
819	K	97.4	Very high	96	Very high	50 Å²	50	19 Å²	19	22%	0.217	9%	0.094	C	C	.	.	H	α-helix	trans	-64.7	-41.4	-179	-175.3	61.5	165.4	69.6	0	111.4	Q815 Y816 A817 L823 Y842 L843	Q815-K819 WeakPolarHBondContact O-CB 3.4Å; Q815-K819 PolarHBondContact O-N 2.68Å; Q815-K819 VanDerWaalsContact O-N 3.14Å; Y816-K819 WeakPolarHBondContact O-CB 3.41Å; Y816-K819 PolarHBondContact O-N 3.5Å; Y816-K819 VanDerWaalsContact O-N 3.08Å; A817-K819 VanDerWaalsContact C-N 3.35Å; A817-K819 PolarHBondContact O-N 3.14Å; K819-L823 WeakPolarHBondContact O-CB 2.91Å; K819-L823 PolarHBondContact O-N 3.04Å; K819-L823 VanDerWaalsContact O-N 3.07Å; K819-Y842 HydrophobicContact CB-CD2 4.31Å; K819-Y842 HydrophobicContact CG-CD2 4.22Å; K819-Y842 WeakPolarHBondContact CG-O 3.28Å; K819-Y842 PolarHBondContact NZ-O 3.13Å; K819-L843 VanDerWaalsContact CE-O 3.23Å; K819-L843 WeakPolarHBondContact CE-O 3.35Å; K819-L843 HydrophobicContact CG-CD2 4.29Å; K819-L843 PolarHBondContact NZ-O 3.19Å
820	L	97.9	Very high	96	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-69.2	-51.7	177.1	177.2	52.9	0	0	0	112.2	A628 I630 V645 Y816 A817 T822 L823 V824 Y841 Y842	A628-L820 HydrophobicContact CB-CB 4.03Å; A628-L820 HydrophobicContact CB-CD2 4.06Å; A628-L820 HydrophobicContact CB-CG 3.84Å; I630-L820 HydrophobicContact CD1-CD2 3.77Å; V645-L820 HydrophobicContact CG2-CD1 3.75Å; V645-L820 HydrophobicContact CG2-CD2 3.53Å; V645-L820 HydrophobicContact CG2-CG 3.47Å; V645-L820 VanDerWaalsContact CG2-CG 3.47Å; Y816-L820 PolarHBondContact O-N 2.86Å; A817-L820 PolarHBondContact O-N 3.37Å; L820-T822 VanDerWaalsContact C-N 3.31Å; L820-T822 PolarHBondContact O-N 2.99Å; L820-L823 PolarHBondContact O-N 3.39Å; L820-L823 VanDerWaalsContact O-N 3.17Å; L820-V824 HydrophobicContact CD1-CG2 4.16Å; L820-V824 WeakPolarHBondContact O-CG2 3.44Å; L820-V824 PolarHBondContact O-N 3.21Å; L820-Y841 HydrophobicContact CD1-CE2 4.09Å; L820-Y841 WeakPolarHBondContact CD1-OH 3.5Å; L820-Y842 HydrophobicContact CB-CD1 4.25Å; L820-Y842 HydrophobicContact CB-CD2 3.77Å; L820-Y842 HydrophobicContact CB-CE2 4.2Å; L820-Y842 HydrophobicContact CB-CG 3.79Å; L820-Y842 HydrophobicContact CD1-CD1 3.95Å; L820-Y842 HydrophobicContact CD1-CG 3.9Å; L820-Y842 HydrophobicContact CD2-CD1 4.1Å; L820-Y842 HydrophobicContact CD2-CE1 4.21Å; L820-Y842 HydrophobicContact CD2-CG 4.48Å; L820-Y842 HydrophobicContact CG-CD1 4.33Å; L820-Y842 HydrophobicContact CG-CG 4.26Å
821	A	94.8	Very high	95.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-56.5	-45.5	176.3	0	0	0	0	0	111.5	A616 A628 A817 L823 V824 G825	A616-A821 VanDerWaalsContact CB-C 3.45Å; A616-A821 HydrophobicContact CB-CB 3.77Å; A616-A821 WeakPolarHBondContact CB-O 3.34Å; A628-A821 HydrophobicContact CB-CB 3.75Å; A817-A821 WeakPolarHBondContact O-CB 3.46Å; A817-A821 PolarHBondContact O-N 2.88Å; A821-L823 PolarHBondContact O-N 3.12Å; A821-V824 PolarHBondContact O-N 3.42Å; A821-G825 PolarHBondContact O-N 3.49Å
822	T	94.5	Very high	95.9	Very high	59 Å²	59	22.6 Å²	22.6	36%	0.362	12%	0.119	S	C	.	.	H	α-helix	trans	-61.9	-43.2	177.7	-55.7	0	0	0	0	111.5	K818 L820 V824 G825 T826	K818-T822 WeakPolarHBondContact O-CB 3.31Å; K818-T822 PolarHBondContact O-N 2.84Å; K818-T822 PolarHBondContact O-OG1 3.19Å; L820-T822 VanDerWaalsContact C-N 3.31Å; L820-T822 PolarHBondContact O-N 2.99Å; T822-V824 PolarHBondContact O-N 2.71Å; T822-G825 PolarHBondContact O-N 3.03Å; T822-T826 WeakPolarHBondContact O-CB 3.31Å; T822-T826 PolarHBondContact O-N 2.95Å; T822-T826 PolarHBondContact O-OG1 3.36Å
823	L	96.8	Very high	95.9	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.026	14%	0.135	C	C	.	.	H	α-helix	trans	-61.2	-43.4	177.1	178.5	68.1	0	0	0	111.7	Y551 K555 Y559 K819 L820 A821 N827 L828	Y551-L823 HydrophobicContact CE1-CD1 4.2Å; K555-L823 HydrophobicContact CG-CD1 4.46Å; Y559-L823 HydrophobicContact CD2-CD2 4.24Å; Y559-L823 HydrophobicContact CE2-CD2 4.06Å; K819-L823 WeakPolarHBondContact O-CB 2.91Å; K819-L823 PolarHBondContact O-N 3.04Å; K819-L823 VanDerWaalsContact O-N 3.07Å; L820-L823 PolarHBondContact O-N 3.39Å; L820-L823 VanDerWaalsContact O-N 3.17Å; A821-L823 PolarHBondContact O-N 3.12Å; L823-N827 HydrophobicContact CD1-CB 4.13Å; L823-N827 WeakPolarHBondContact O-CB 3.41Å; L823-N827 PolarHBondContact O-N 3.31Å; L823-L828 HydrophobicContact CD2-CD1 4.34Å; L823-L828 HydrophobicContact CG-CD1 4.16Å; L823-L828 HydrophobicContact CG-CG 4.25Å; L823-L828 PolarHBondContact O-N 3.03Å
824	V	96.6	Very high	95.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.16	C	C	.	.	I	π-helix	trans	-67.6	-48.9	179	178.4	0	0	0	0	111	Y626 V645 L820 A821 T822 T826 L828 H829 P832	Y626-V824 HydrophobicContact CD1-CG1 3.52Å; Y626-V824 HydrophobicContact CD2-CG1 3.81Å; Y626-V824 HydrophobicContact CE1-CG1 3.84Å; Y626-V824 HydrophobicContact CE2-CG1 4.1Å; Y626-V824 HydrophobicContact CG-CB 4.29Å; Y626-V824 HydrophobicContact CG-CG1 3.49Å; Y626-V824 VanDerWaalsContact CG-CG1 3.49Å; V645-V824 HydrophobicContact CG1-CB 4.45Å; V645-V824 HydrophobicContact CG1-CG1 4.29Å; V645-V824 HydrophobicContact CG1-CG2 4.17Å; V645-V824 HydrophobicContact CG2-CG2 4.24Å; L820-V824 HydrophobicContact CD1-CG2 4.16Å; L820-V824 WeakPolarHBondContact O-CG2 3.44Å; L820-V824 PolarHBondContact O-N 3.21Å; A821-V824 PolarHBondContact O-N 3.42Å; T822-V824 PolarHBondContact O-N 2.71Å; V824-T826 PolarHBondContact O-N 3.27Å; V824-L828 HydrophobicContact CG2-CD1 4.02Å; V824-L828 PolarHBondContact O-N 3.28Å; V824-H829 WeakPolarHBondContact O-CA 3.37Å; V824-H829 PolarHBondContact O-N 3.16Å; V824-P832 HydrophobicContact CG2-CG 4.12Å
825	G	91.9	Very high	95.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.19	C	C	.	.	I	π-helix	trans	-67.7	-28.5	-179.7	0	0	0	0	0	115	S618 T619 A821 T822 H829	S618-G825 WeakPolarHBondContact CA-O 3.46Å; T619-G825 PolarHBondContact N-O 2.65Å; T619-G825 PolarHBondContact OG1-O 3.16Å; A821-G825 PolarHBondContact O-N 3.49Å; T822-G825 PolarHBondContact O-N 3.03Å; G825-H829 PolarHBondContact O-CE1 3.29Å; G825-H829 PolarHBondContact O-ND1 3.01Å
826	T	90.8	Very high	95.6	Very high	55 Å²	55	32.4 Å²	32.4	34%	0.337	18%	0.181	S	C	.	.	I	π-helix	trans	-99.9	-29.7	-174	-44.8	0	0	0	0	113.9	T619 T822 V824 H829	T619-T826 HydrophobicContact CG2-CG2 4.21Å; T822-T826 WeakPolarHBondContact O-CB 3.31Å; T822-T826 PolarHBondContact O-N 2.95Å; T822-T826 PolarHBondContact O-OG1 3.36Å; V824-T826 PolarHBondContact O-N 3.27Å; T826-H829 PolarHBondContact O-CE1 2.71Å
827	N	93.9	Very high	95.5	Very high	24 Å²	24	33.9 Å²	33.9	13%	0.128	19%	0.188	C	C	.	.	I	π-helix	trans	-131.5	-38.7	-167.1	-55.6	112.2	0	0	0	114.9	Y551 S552 L823	Y551-N827 HydrophobicContact CE1-CB 4.36Å; S552-N827 WeakPolarHBondContact CB-O 3.47Å; S552-N827 PolarHBondContact OG-ND2 2.84Å; L823-N827 HydrophobicContact CD1-CB 4.13Å; L823-N827 WeakPolarHBondContact O-CB 3.41Å; L823-N827 PolarHBondContact O-N 3.31Å
828	L	95.6	Very high	95.5	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.199	C	C	.	.	I	π-helix	trans	-88.2	-41.5	-175.9	-54.7	179.6	0	0	0	112.5	K555 K556 Y559 V560 L823 V824 S830 P832	K555-L828 HydrophobicContact CB-CD2 3.73Å; K555-L828 WeakPolarHBondContact O-CD2 3.49Å; K556-L828 HydrophobicContact CB-CD2 4.38Å; Y559-L828 HydrophobicContact CD2-CD1 4.42Å; V560-L828 HydrophobicContact CG2-CB 4.16Å; V560-L828 HydrophobicContact CG2-CD1 4.38Å; V560-L828 HydrophobicContact CG2-CD2 4.34Å; L823-L828 HydrophobicContact CD2-CD1 4.34Å; L823-L828 HydrophobicContact CG-CD1 4.16Å; L823-L828 HydrophobicContact CG-CG 4.25Å; L823-L828 PolarHBondContact O-N 3.03Å; V824-L828 HydrophobicContact CG2-CD1 4.02Å; V824-L828 PolarHBondContact O-N 3.28Å; L828-S830 PolarHBondContact O-N 3.23Å; L828-S830 VanDerWaalsContact O-N 3.13Å; L828-P832 HydrophobicContact CD1-CG 3.86Å
829	H	93.4	Very high	95.5	Very high	46 Å²	46	36.4 Å²	36.4	21%	0.213	20%	0.199	C	C	.	.			trans	49.2	31.8	-173	-46.2	-59.5	0	0	0	113.6	T619 Y626 V824 G825 T826	T619-H829 PolarHBondContact OG1-CE1 3.47Å; T619-H829 VanDerWaalsContact OG1-CE1 3.3Å; Y626-H829 PolarHBondContact OH-O 3.13Å; V824-H829 WeakPolarHBondContact O-CA 3.37Å; V824-H829 PolarHBondContact O-N 3.16Å; G825-H829 PolarHBondContact O-CE1 3.29Å; G825-H829 PolarHBondContact O-ND1 3.01Å; T826-H829 PolarHBondContact O-CE1 2.71Å
830	S	94.1	Very high	95.5	Very high	33 Å²	33	34.3 Å²	34.3	23%	0.231	19%	0.189	C	C	.	.	S	Bend	trans	-164.9	152.2	-175.6	-59.4	0	0	0	0	108.2	K556 L828	K556-S830 PolarHBondContact NZ-OG 2.96Å; L828-S830 PolarHBondContact O-N 3.23Å; L828-S830 VanDerWaalsContact O-N 3.13Å
831	I	95.4	Very high	95.5	Very high	81 Å²	81	34.6 Å²	34.6	42%	0.415	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-72.4	134.1	179.8	-56.8	178.1	0	0	0	109.5
832	P	97.3	Very high	95.7	Very high	8 Å²	8	34.7 Å²	34.7	5%	0.052	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-67	158.4	174.4	-21.1	34.2	0	0	0	113.5	Y559 V824 L828 Y841	Y559-P832 CarbonylContact O-C 3.36Å; Y559-P832 VanDerWaalsContact O-CA 3.23Å; Y559-P832 WeakPolarHBondContact O-CA 3.47Å; V824-P832 HydrophobicContact CG2-CG 4.12Å; L828-P832 HydrophobicContact CD1-CG 3.86Å; P832-Y841 HydrophobicContact CB-CE2 3.83Å; P832-Y841 HydrophobicContact CG-CE2 3.89Å; P832-Y841 WeakPolarHBondContact CG-OH 3.13Å
833	Q	97.6	Very high	95.8	Very high	74 Å²	74	32.3 Å²	32.3	35%	0.346	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-68.6	136.7	178.5	-61.3	-164.5	2.3	0	0	113	Y559 V560 D561 A563 A835 L836	Y559-Q833 PolarHBondContact O-N 3.46Å; V560-Q833 WeakPolarHBondContact O-CG 3.47Å; V560-Q833 PolarHBondContact O-NE2 2.99Å; D561-Q833 PolarHBondContact O-NE2 2.91Å; A563-Q833 HydrophobicContact CB-CB 4.14Å; Q833-A835 PolarHBondContact O-N 2.77Å; Q833-A835 VanDerWaalsContact O-N 3.09Å; Q833-L836 WeakPolarHBondContact O-CB 3.5Å; Q833-L836 PolarHBondContact O-N 2.86Å
834	N	95.6	Very high	95.7	Very high	98 Å²	98	33.7 Å²	33.7	52%	0.524	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-59.3	-25.3	-175	-61.7	5.6	0	0	0	114	L836 E837	N834-L836 PolarHBondContact O-N 3.36Å; N834-E837 HydrophobicContact CB-CG 4.33Å; N834-E837 WeakPolarHBondContact CB-OE1 3.3Å; N834-E837 VanDerWaalsContact CG-OE1 3.28Å; N834-E837 VanDerWaalsContact O-CB 3.26Å; N834-E837 WeakPolarHBondContact O-CB 2.87Å; N834-E837 WeakPolarHBondContact O-CG 3.45Å; N834-E837 PolarHBondContact O-N 3.37Å
835	A	96.3	Very high	95.7	Very high	77 Å²	77	35.4 Å²	35.4	64%	0.636	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-61.8	-10.1	175.9	0	0	0	0	0	114.2	A563 Q833	A563-A835 HydrophobicContact CB-CB 3.93Å; Q833-A835 PolarHBondContact O-N 2.77Å; Q833-A835 VanDerWaalsContact O-N 3.09Å
836	L	96.5	Very high	95.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-95.2	-4.5	173.8	-66	176.2	0	0	0	114.1	Y559 A563 P565 Q833 N834 K838 K839 Y841	Y559-L836 HydrophobicContact CD1-CD1 3.93Å; Y559-L836 HydrophobicContact CG-CD1 4.18Å; A563-L836 HydrophobicContact CB-CG 4.28Å; A563-L836 WeakPolarHBondContact O-CD2 3.37Å; P565-L836 HydrophobicContact CG-CD2 4.1Å; Q833-L836 WeakPolarHBondContact O-CB 3.5Å; Q833-L836 PolarHBondContact O-N 2.86Å; N834-L836 PolarHBondContact O-N 3.36Å; L836-K838 PolarHBondContact O-N 2.61Å; L836-K839 HydrophobicContact CD2-CD 4.3Å; L836-K839 PolarHBondContact O-N 2.82Å; L836-Y841 HydrophobicContact CB-CD1 3.53Å; L836-Y841 HydrophobicContact CB-CE1 3.71Å; L836-Y841 HydrophobicContact CB-CG 3.96Å; L836-Y841 HydrophobicContact CD1-CD1 4.42Å; L836-Y841 HydrophobicContact CD1-CD2 3.99Å; L836-Y841 HydrophobicContact CD1-CE2 4.41Å; L836-Y841 HydrophobicContact CD1-CG 4Å; L836-Y841 HydrophobicContact CG-CD1 4.44Å; L836-Y841 HydrophobicContact CG-CG 4.42Å; L836-Y841 VanDerWaalsContact O-CD1 3.3Å; L836-Y841 WeakPolarHBondContact O-CD1 3.24Å; L836-Y841 WeakPolarHBondContact O-CE1 3.42Å
837	E	96.3	Very high	96.2	Very high	31 Å²	31	36.4 Å²	36.4	15%	0.145	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-32	-169.7	-78.2	171	172	0	0	114.6	F642 S643 K664 N834	F642-E837 CarbonylContact C-O 3.5Å; F642-E837 WeakPolarHBondContact CA-O 3.43Å; F642-E837 HydrophobicContact CD2-CB 3.91Å; F642-E837 HydrophobicContact CE2-CB 3.67Å; F642-E837 HydrophobicContact CE2-CG 4.02Å; F642-E837 VanDerWaalsContact CE2-OE2 3.24Å; F642-E837 WeakPolarHBondContact CE2-OE2 3.42Å; F642-E837 HydrophobicContact CZ-CB 4.45Å; F642-E837 HydrophobicContact CZ-CG 4.37Å; S643-E837 PolarHBondContact N-O 3.41Å; S643-E837 WeakPolarHBondContact O-CG 3.42Å; S643-E837 PolarHBondContact OG-O 3.38Å; K664-E837 WeakPolarHBondContact CE-OE1 3.28Å; K664-E837 IonicContact NZ-OE1 2.92Å; K664-E837 PolarHBondContact NZ-OE1 3.01Å; N834-E837 HydrophobicContact CB-CG 4.33Å; N834-E837 WeakPolarHBondContact CB-OE1 3.3Å; N834-E837 VanDerWaalsContact CG-OE1 3.28Å; N834-E837 VanDerWaalsContact O-CB 3.26Å; N834-E837 WeakPolarHBondContact O-CB 2.87Å; N834-E837 WeakPolarHBondContact O-CG 3.45Å; N834-E837 PolarHBondContact O-N 3.37Å
838	K	96.3	Very high	96.3	Very high	56 Å²	56	37.1 Å²	37.1	24%	0.243	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	2.7	179.4	-72	-65	-53.6	-165	0	115.3	T640 Y641 F642 Q668 E672 L836	T640-K838 PolarHBondContact OG1-NZ 3.19Å; Y641-K838 WeakPolarHBondContact O-CE 3.36Å; F642-K838 HydrophobicContact CD2-CD 4.48Å; Q668-K838 HydrophobicContact CG-CD 4.21Å; E672-K838 WeakPolarHBondContact OE1-CD 3.5Å; E672-K838 VanDerWaalsContact OE1-CE 3.26Å; E672-K838 WeakPolarHBondContact OE1-CE 3.26Å; E672-K838 IonicContact OE1-NZ 3.31Å; E672-K838 PolarHBondContact OE1-NZ 3.18Å; E672-K838 IonicContact OE2-NZ 2.96Å; E672-K838 PolarHBondContact OE2-NZ 3.31Å; L836-K838 PolarHBondContact O-N 2.61Å
839	K	97	Very high	96.4	Very high	66 Å²	66	39.5 Å²	39.5	29%	0.287	21%	0.213	S	C	.	.	S	Bend	trans	-115.9	151.6	-174.3	-66.8	175.1	179	171.5	0	111.5	P565 L836 Y841	P565-K839 HydrophobicContact CG-CD 4.07Å; L836-K839 HydrophobicContact CD2-CD 4.3Å; L836-K839 PolarHBondContact O-N 2.82Å; K839-Y841 WeakPolarHBondContact O-CD1 3.4Å; K839-Y841 PolarHBondContact O-N 2.67Å
840	F	97.8	Very high	96.6	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.026	21%	0.213	C	C	.	.			trans	-83.5	44.3	171.9	-64.1	-78.9	0	0	0	112.5	C592 K593 Y641 Y802 Y816 Y842 L843	C592-F840 HydrophobicContact CB-CB 3.78Å; C592-F840 HydrophobicContact CB-CD2 3.82Å; C592-F840 HydrophobicContact CB-CG 4.11Å; C592-F840 WeakPolarHBondContact O-CB 3.31Å; C592-F840 WeakPolarHBondContact O-CD2 3.45Å; C592-F840 PolarHBondContact O-N 2.88Å; C592-F840 VanDerWaalsContact O-N 3.14Å; K593-F840 WeakPolarHBondContact CG-O 3.33Å; Y641-F840 HydrophobicContact CD2-CE1 4.08Å; Y641-F840 HydrophobicContact CD2-CE2 4.24Å; Y641-F840 AromaticContact CD2-CZ 3.37Å; Y641-F840 HydrophobicContact CD2-CZ 3.37Å; Y641-F840 AromaticContact CE2-CZ 3.91Å; Y641-F840 HydrophobicContact CE2-CZ 3.91Å; Y641-F840 HydrophobicContact CG-CE1 4.24Å; Y641-F840 AromaticContact CG-CZ 3.95Å; Y641-F840 HydrophobicContact CG-CZ 3.95Å; Y802-F840 HydrophobicContact CD2-CD2 4.46Å; Y802-F840 AromaticContact CD2-CE2 3.74Å; Y802-F840 HydrophobicContact CD2-CE2 3.74Å; Y802-F840 AromaticContact CD2-CZ 3.81Å; Y802-F840 HydrophobicContact CD2-CZ 3.81Å; Y802-F840 AromaticContact CE2-CE2 3.75Å; Y802-F840 HydrophobicContact CE2-CE2 3.75Å; Y802-F840 AromaticContact CE2-CZ 3.68Å; Y802-F840 HydrophobicContact CE2-CZ 3.68Å; Y816-F840 AromaticContact CD1-CD1 3.91Å; Y816-F840 HydrophobicContact CD1-CD1 3.91Å; Y816-F840 AromaticContact CD1-CE1 3.89Å; Y816-F840 HydrophobicContact CD1-CE1 3.89Å; Y816-F840 HydrophobicContact CD2-CE1 4.1Å; Y816-F840 AromaticContact CE1-CD1 3.54Å; Y816-F840 HydrophobicContact CE1-CD1 3.54Å; Y816-F840 AromaticContact CE1-CE1 3.4Å; Y816-F840 HydrophobicContact CE1-CE1 3.4Å; Y816-F840 VanDerWaalsContact CE1-CE1 3.4Å; Y816-F840 HydrophobicContact CE1-CZ 4.33Å; Y816-F840 AromaticContact CE2-CE1 3.68Å; Y816-F840 HydrophobicContact CE2-CE1 3.68Å; Y816-F840 HydrophobicContact CE2-CZ 4.24Å; Y816-F840 HydrophobicContact CG-CE1 4.21Å; Y816-F840 AromaticContact CZ-CD1 3.93Å; Y816-F840 AromaticContact CZ-CE1 3.28Å; Y816-F840 AromaticContact CZ-CZ 3.86Å; F840-Y842 WeakPolarHBondContact CD1-OH 3.31Å; F840-Y842 PolarHBondContact O-N 3.39Å; F840-Y842 VanDerWaalsContact O-N 3.1Å; F840-L843 HydrophobicContact CB-CD1 3.74Å; F840-L843 HydrophobicContact CB-CG 4.01Å; F840-L843 HydrophobicContact CD1-CD1 4.49Å; F840-L843 HydrophobicContact CG-CD1 4.28Å; F840-L843 PolarHBondContact O-N 3.12Å
841	Y	98	Very high	96.8	Very high	6 Å²	6	39.5 Å²	39.5	2%	0.024	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-31.4	-175.8	64.8	-85.3	0	0	0	113	Y559 L820 P832 L836 K839 L843	Y559-Y841 HydrophobicContact CD1-CD2 4.39Å; Y559-Y841 AromaticContact CD2-CD2 3.69Å; Y559-Y841 HydrophobicContact CD2-CD2 3.69Å; Y559-Y841 HydrophobicContact CD2-CE2 4.26Å; Y559-Y841 AromaticContact CE2-CD2 3.79Å; Y559-Y841 HydrophobicContact CE2-CD2 3.79Å; Y559-Y841 WeakPolarHBondContact CE2-O 3.4Å; Y559-Y841 HydrophobicContact CG-CD2 4Å; Y559-Y841 VanDerWaalsContact CZ-O 3.23Å; Y559-Y841 PolarHBondContact OH-O 3.49Å; L820-Y841 HydrophobicContact CD1-CE2 4.09Å; L820-Y841 WeakPolarHBondContact CD1-OH 3.5Å; P832-Y841 HydrophobicContact CB-CE2 3.83Å; P832-Y841 HydrophobicContact CG-CE2 3.89Å; P832-Y841 WeakPolarHBondContact CG-OH 3.13Å; L836-Y841 HydrophobicContact CB-CD1 3.53Å; L836-Y841 HydrophobicContact CB-CE1 3.71Å; L836-Y841 HydrophobicContact CB-CG 3.96Å; L836-Y841 HydrophobicContact CD1-CD1 4.42Å; L836-Y841 HydrophobicContact CD1-CD2 3.99Å; L836-Y841 HydrophobicContact CD1-CE2 4.41Å; L836-Y841 HydrophobicContact CD1-CG 4Å; L836-Y841 HydrophobicContact CG-CD1 4.44Å; L836-Y841 HydrophobicContact CG-CG 4.42Å; L836-Y841 VanDerWaalsContact O-CD1 3.3Å; L836-Y841 WeakPolarHBondContact O-CD1 3.24Å; L836-Y841 WeakPolarHBondContact O-CE1 3.42Å; K839-Y841 WeakPolarHBondContact O-CD1 3.4Å; K839-Y841 PolarHBondContact O-N 2.67Å; Y841-L843 VanDerWaalsContact C-N 3.33Å; Y841-L843 PolarHBondContact O-N 2.96Å
842	Y	97.6	Very high	96.9	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.008	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-2.1	-174.6	52.2	-90.3	0	0	0	115.4	I630 Y816 K819 L820 F840	I630-Y842 HydrophobicContact CD1-CE1 4.41Å; Y816-Y842 AromaticContact CD1-CE2 3.9Å; Y816-Y842 HydrophobicContact CD1-CE2 3.9Å; Y816-Y842 HydrophobicContact CG-CE2 4.34Å; K819-Y842 HydrophobicContact CB-CD2 4.31Å; K819-Y842 HydrophobicContact CG-CD2 4.22Å; K819-Y842 WeakPolarHBondContact CG-O 3.28Å; K819-Y842 PolarHBondContact NZ-O 3.13Å; L820-Y842 HydrophobicContact CB-CD1 4.25Å; L820-Y842 HydrophobicContact CB-CD2 3.77Å; L820-Y842 HydrophobicContact CB-CE2 4.2Å; L820-Y842 HydrophobicContact CB-CG 3.79Å; L820-Y842 HydrophobicContact CD1-CD1 3.95Å; L820-Y842 HydrophobicContact CD1-CG 3.9Å; L820-Y842 HydrophobicContact CD2-CD1 4.1Å; L820-Y842 HydrophobicContact CD2-CE1 4.21Å; L820-Y842 HydrophobicContact CD2-CG 4.48Å; L820-Y842 HydrophobicContact CG-CD1 4.33Å; L820-Y842 HydrophobicContact CG-CG 4.26Å; F840-Y842 WeakPolarHBondContact CD1-OH 3.31Å; F840-Y842 PolarHBondContact O-N 3.39Å; F840-Y842 VanDerWaalsContact O-N 3.1Å
843	L	96.4	Very high	96.8	Very high	9 Å²	9	38.6 Å²	38.6	5%	0.047	21%	0.208	C	C	.	.			trans	-68.7	0	174.1	-67.3	-177.6	0	0	0	112.6	Q589 C592 K593 Y801 N803 Y816 K819 F840 Y841	Q589-L843 HydrophobicContact CG-CB 4.15Å; Q589-L843 PolarHBondContact NE2-O 2.94Å; Q589-L843 PolarHBondContact NE2-OXT 3.41Å; C592-L843 HydrophobicContact CB-CD1 3.9Å; K593-L843 WeakPolarHBondContact CE-OXT 3.39Å; K593-L843 PolarHBondContact NZ-OXT 2.87Å; Y801-L843 HydrophobicContact CE2-CD2 4.03Å; N803-L843 HydrophobicContact CB-CD1 4.39Å; N803-L843 HydrophobicContact CB-CD2 4.11Å; Y816-L843 HydrophobicContact CD1-CD2 4.01Å; Y816-L843 HydrophobicContact CE1-CD1 4.29Å; Y816-L843 HydrophobicContact CE1-CD2 3.97Å; K819-L843 VanDerWaalsContact CE-O 3.23Å; K819-L843 WeakPolarHBondContact CE-O 3.35Å; K819-L843 HydrophobicContact CG-CD2 4.29Å; K819-L843 PolarHBondContact NZ-O 3.19Å; F840-L843 HydrophobicContact CB-CD1 3.74Å; F840-L843 HydrophobicContact CB-CG 4.01Å; F840-L843 HydrophobicContact CD1-CD1 4.49Å; F840-L843 HydrophobicContact CG-CD1 4.28Å; F840-L843 PolarHBondContact O-N 3.12Å; Y841-L843 VanDerWaalsContact C-N 3.33Å; Y841-L843 PolarHBondContact O-N 2.96Å

Retrieved 843 of 843 residues in 688.1 ms (Link to these results)

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