A0A087YNI4_POEFO Loading...

Protein-glutamine gamma-glutamyltransferase K

Catalyzes the cross-linking of proteins and the conjugation of polyamines to proteins. Responsible for cross-linking epidermal proteins during formation of the stratum corneum. Involved in cell proliferation.

AlphaFold DB , UniProt , Accession A0A087YNI4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 788 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	21.7	Very low	24.7	Very low	241 Å²	241	162.3 Å²	162.3	100%	1.187	87%	0.874	S	S	*	*				0	124.4	0	-80.3	-81.2	-89.1	0	0	108.4
2	P	30.9	Very low	25	Very low	122 Å²	122	156.3 Å²	156.3	79%	0.792	85%	0.854	S	S	*	*			cis	-115.1	159.2	-26.5	36.6	-24.1	0	0	0	111.7
3	G	23.4	Very low	25.1	Very low	74 Å²	74	157 Å²	157	76%	0.763	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-98.4	142.9	164.4	0	0	0	0	0	109.7
4	E	25.8	Very low	25.1	Very low	200 Å²	200	158.3 Å²	158.3	94%	0.935	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-76	146.1	-179.4	-65.1	-174.4	125	0	0	112
5	R	23.9	Very low	25.2	Very low	242 Å²	242	152.4 Å²	152.4	91%	0.913	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-78.8	125.7	-177.6	-74.1	175.4	166.7	172.2	-6.8	110.7	T7	R5-T7 PolarHBondContact O-N 2.98Å
6	L	23.2	Very low	25.1	Very low	172 Å²	172	157.1 Å²	157.1	90%	0.901	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-65	127.9	159.3	-77.1	166.9	0	0	0	109.3
7	T	24.6	Very low	25.3	Very low	134 Å²	134	159.4 Å²	159.4	82%	0.822	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-77.3	138	177.5	39.6	0	0	0	0	111.2	R5	R5-T7 PolarHBondContact O-N 2.98Å
8	V	25	Very low	25.4	Very low	145 Å²	145	157.4 Å²	157.4	88%	0.879	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-68.5	137.6	177.6	179.2	0	0	0	0	109.5
9	R	24.3	Very low	25.3	Very low	237 Å²	237	162.1 Å²	162.1	89%	0.894	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-73.7	138.6	176.3	-72.9	-177.9	172.7	177.4	-3.2	110.9
10	S	23.3	Very low	25.4	Very low	95 Å²	95	158.5 Å²	158.5	66%	0.664	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-60.6	142.1	169.5	-174.5	0	0	0	0	111.2	S12	S10-S12 VanDerWaalsContact C-N 3.33Å; S10-S12 WeakPolarHBondContact OG-CB 3.18Å; S10-S12 PolarHBondContact OG-N 2.97Å; S10-S12 PolarHBondContact OG-OG 3.3Å
11	S	26.1	Very low	25.4	Very low	123 Å²	123	155.5 Å²	155.5	86%	0.86	84%	0.839	S	S	*	*	S	Bend	trans	-89.6	10.2	176	48.4	0	0	0	0	113.8	E13	S11-E13 PolarHBondContact O-N 2.66Å
12	S	28	Very low	25.6	Very low	91 Å²	91	149.6 Å²	149.6	64%	0.636	82%	0.819	S	S	*	*			trans	-86.9	7.9	-167.2	62.2	0	0	0	0	116.9	S10	S10-S12 VanDerWaalsContact C-N 3.33Å; S10-S12 WeakPolarHBondContact OG-CB 3.18Å; S10-S12 PolarHBondContact OG-N 2.97Å; S10-S12 PolarHBondContact OG-OG 3.3Å
13	E	26.4	Very low	25.4	Very low	165 Å²	165	149.6 Å²	149.6	77%	0.771	82%	0.819	S	S	*	*			trans	-131.4	62.5	-171.9	-64.6	-158.2	130	0	0	114.5	S11	S11-E13 PolarHBondContact O-N 2.66Å
14	I	25.1	Very low	25.6	Very low	175 Å²	175	153.8 Å²	153.8	90%	0.897	82%	0.822	S	S	*	*	S	Bend	trans	-131.5	127.8	158.5	-59.2	-179.1	0	0	0	108.3
15	G	26	Very low	25.6	Very low	70 Å²	70	154.9 Å²	154.9	72%	0.722	82%	0.818	S	S	*	*			trans	101	76.6	174.6	0	0	0	0	0	115.5
16	R	23.7	Very low	25.7	Very low	228 Å²	228	149.1 Å²	149.1	86%	0.86	81%	0.809	S	S	*	*			trans	-133.1	116.1	160.4	-71.6	-172.9	-179.3	174.4	4.3	110.2
17	F	29.3	Very low	25.7	Very low	196 Å²	196	148.3 Å²	148.3	86%	0.86	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-98	151.4	162.1	-74.7	-78.3	0	0	0	109.4
18	P	26.5	Very low	25.7	Very low	123 Å²	123	149.2 Å²	149.2	80%	0.799	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-70.6	136.2	-173.8	28.1	-34.5	0	0	0	111.9
19	R	24.4	Very low	25.7	Very low	246 Å²	246	147.4 Å²	147.4	93%	0.928	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-69.4	132.3	174.8	-73.6	-178.9	171.3	175	-4.7	111.1
20	A	26.7	Very low	25.8	Very low	91 Å²	91	144.1 Å²	144.1	75%	0.752	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-69.2	159	151.7	0	0	0	0	0	109.9
21	A	24.3	Very low	25.9	Very low	96 Å²	96	147.2 Å²	147.2	79%	0.793	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-72.6	135.8	-179.5	0	0	0	0	0	111.3
22	P	26.6	Very low	25.9	Very low	116 Å²	116	147 Å²	147	75%	0.753	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-73.3	147.9	179.2	30.8	-35.2	0	0	0	111.7
23	P	27.7	Very low	25.8	Very low	122 Å²	122	151.4 Å²	151.4	79%	0.792	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-65.9	161.8	164.7	29.8	-33.6	0	0	0	111.1	R25	P23-R25 PolarHBondContact O-N 2.68Å
24	I	27	Very low	25.8	Very low	162 Å²	162	150.6 Å²	150.6	83%	0.831	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-69.2	121.5	-171.3	-63.6	168.5	0	0	0	110.6	V26	I24-V26 PolarHBondContact O-N 2.91Å
25	R	25.9	Very low	25.8	Very low	223 Å²	223	145.5 Å²	145.5	84%	0.842	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-58.9	132.4	167.3	-83.7	-175.3	167.7	-170.7	-5.9	110.3	P23	P23-R25 PolarHBondContact O-N 2.68Å
26	V	24.9	Very low	25.8	Very low	121 Å²	121	152.4 Å²	152.4	73%	0.733	81%	0.808	S	S	*	*			trans	-111.8	110.6	165.6	178.8	0	0	0	0	107.5	I24 L28	I24-V26 PolarHBondContact O-N 2.91Å; V26-L28 PolarHBondContact O-N 3.37Å
27	E	24.1	Very low	25.9	Very low	156 Å²	156	151.2 Å²	151.2	73%	0.729	81%	0.809	S	S	*	*			trans	-76.1	119.6	175.6	-67.1	177.7	155.1	0	0	109.6	T29	E27-T29 PolarHBondContact O-N 3.16Å
28	L	23.7	Very low	25.7	Very low	152 Å²	152	150.5 Å²	150.5	80%	0.796	81%	0.808	S	S	*	*			trans	-88.5	74.3	177.2	-77.7	171.4	0	0	0	110.8	V26 I30	V26-L28 PolarHBondContact O-N 3.37Å; L28-I30 PolarHBondContact O-N 3Å; L28-I30 VanDerWaalsContact O-N 3.15Å
29	T	25.1	Very low	25.6	Very low	108 Å²	108	152.7 Å²	152.7	66%	0.663	81%	0.808	S	S	*	*			trans	-71.7	104.1	175.6	-44	0	0	0	0	110.9	E27 Q31	E27-T29 PolarHBondContact O-N 3.16Å; T29-Q31 HydrophobicContact CG2-CG 4.36Å; T29-Q31 PolarHBondContact O-N 3.05Å
30	I	27.4	Very low	25.6	Very low	167 Å²	167	147.7 Å²	147.7	86%	0.856	80%	0.795	S	S	*	*			trans	-75.9	102.5	173.7	-57.9	176.8	0	0	0	109	L28	L28-I30 PolarHBondContact O-N 3Å; L28-I30 VanDerWaalsContact O-N 3.15Å
31	Q	24.7	Very low	25.5	Very low	160 Å²	160	154.3 Å²	154.3	75%	0.748	80%	0.8	S	S	*	*			trans	-93.8	135.8	167.2	-70.7	-169.8	-14	0	0	111	T29	T29-Q31 HydrophobicContact CG2-CG 4.36Å; T29-Q31 PolarHBondContact O-N 3.05Å
32	S	27	Very low	25.6	Very low	118 Å²	118	153.2 Å²	153.2	83%	0.825	80%	0.799	S	S	*	*			trans	-96.2	88.6	-177.2	41.8	0	0	0	0	112
33	E	25.8	Very low	25.6	Very low	184 Å²	184	153.2 Å²	153.2	86%	0.86	80%	0.8	S	S	*	*			trans	-84.4	127	173.2	-72.2	-149.1	127.8	0	0	113.2	G35	E33-G35 PolarHBondContact O-N 3.01Å
34	V	26.6	Very low	25.6	Very low	148 Å²	148	158.3 Å²	158.3	90%	0.897	80%	0.803	S	S	*	*			trans	-80.8	111.9	176.2	178.1	0	0	0	0	109.8
35	G	25.3	Very low	25.6	Very low	69 Å²	69	161.2 Å²	161.2	71%	0.711	80%	0.804	S	S	*	*			trans	-71	161.9	-168.7	0	0	0	0	0	116.8	E33	E33-G35 PolarHBondContact O-N 3.01Å
36	K	24.8	Very low	25.7	Very low	215 Å²	215	161 Å²	161	94%	0.935	80%	0.803	S	S	*	*			trans	-130.9	150.4	164.9	-80.3	-178.5	177.4	171.2	0	110.9
37	K	26.7	Very low	25.8	Very low	203 Å²	203	162.4 Å²	162.4	88%	0.883	80%	0.8	S	S	*	*			trans	-88.9	142.6	-177	-59.7	176.9	178.4	178.9	0	112.2
38	Q	24.6	Very low	25.9	Very low	180 Å²	180	165.8 Å²	165.8	84%	0.841	81%	0.806	S	S	*	*			trans	-176	158.1	135.1	-103.2	173	-22.9	0	0	107.3
39	E	24.1	Very low	26.2	Very low	169 Å²	169	167.8 Å²	167.8	79%	0.79	81%	0.808	S	S	*	*			cis	-179.4	176.8	-31.3	-169.4	154.8	-125.5	0	0	104.3
40	E	25.1	Very low	26.5	Very low	141 Å²	141	169.3 Å²	169.3	66%	0.659	81%	0.811	S	S	*	*			trans	-51.3	147.8	-163.6	-41.6	175.4	124.9	0	0	119.3
41	R	23.9	Very low	26.5	Very low	230 Å²	230	167.3 Å²	167.3	87%	0.868	81%	0.81	S	S	*	*				166.4	167	109.8	-90.4	144.2	-157.7	-117.9	-11	113.5
42	G	26.3	Very low	27.1	Very low	74 Å²	74	165 Å²	165	76%	0.763	81%	0.809	S	S	*	*			trans	129.8	34.8	147.6	0	0	0	0	0	122.1
43	C	27.2	Very low	27.3	Very low	115 Å²	115	164.9 Å²	164.9	78%	0.777	81%	0.807	S	S	*	*			trans	-1.4	141.6	156.3	-145.3	0	0	0	0	121.6
44	R	27.3	Very low	27.5	Very low	230 Å²	230	162.1 Å²	162.1	87%	0.868	81%	0.807	S	S	*	*			trans	83.4	153.8	160.7	-54.4	176	-173.3	-158.5	-0.5	116.8
45	R	27.3	Very low	27.8	Very low	223 Å²	223	160.2 Å²	160.2	84%	0.842	80%	0.799	S	S	*	*			cis	159	154.5	-26.8	-116.4	-173.1	176.5	-174	0.1	105.9
46	W	28	Very low	28.1	Very low	218 Å²	218	164.7 Å²	164.7	83%	0.826	80%	0.798	S	S	*	*			trans	89.5	139.1	176.2	-63	-0.6	0	0	0	115.7
47	F	26.2	Very low	28.3	Very low	150 Å²	150	163.9 Å²	163.9	66%	0.658	79%	0.79	S	S	*	*			cis	-151.5	135.1	-10.8	-125.7	-57	0	0	0	110.4
48	R	27.9	Very low	28.3	Very low	228 Å²	228	162.2 Å²	162.2	86%	0.86	79%	0.785	S	S	*	*			trans	-91.6	135	155.4	-89.5	-172.8	174.6	-175.8	-1.2	108.6
49	K	28.7	Very low	28.4	Very low	193 Å²	193	160.2 Å²	160.2	84%	0.839	78%	0.78	S	S	*	*			trans	-133.2	126.5	156.5	-92.5	-165.3	173.8	-175.1	0	111.4
50	I	32.6	Very low	28.5	Very low	141 Å²	141	157.3 Å²	157.3	72%	0.723	78%	0.778	S	S	*	*			trans	-104.5	153.5	167.7	-62.3	166.4	0	0	0	106.1
51	C	27	Very low	28.6	Very low	124 Å²	124	159.2 Å²	159.2	84%	0.838	79%	0.787	S	S	*	*			trans	-143.7	116.5	161	-165.6	0	0	0	0	111
52	P	36.1	Very low	28.8	Very low	112 Å²	112	153 Å²	153	73%	0.727	78%	0.779	S	S	*	*			trans	-112.7	152.6	169.8	36.9	-24.5	0	0	0	112
53	C	31.6	Very low	28.8	Very low	115 Å²	115	159.8 Å²	159.8	78%	0.777	78%	0.783	S	S	*	*			trans	-146	137.7	171.2	49.3	0	0	0	0	109.1
54	C	31	Very low	28.9	Very low	127 Å²	127	160.6 Å²	160.6	86%	0.858	78%	0.78	S	S	*	*			cis	-135.5	157.4	8.1	-101.6	0	0	0	0	114.4
55	C	31.6	Very low	29	Very low	108 Å²	108	155.7 Å²	155.7	73%	0.73	77%	0.769	S	S	*	*			trans	-68.2	171.2	164.7	-88	0	0	0	0	112.3
56	K	31.8	Very low	28.9	Very low	162 Å²	162	150.8 Å²	150.8	70%	0.704	76%	0.764	S	S	*	*			cis	-170.4	145.8	14.9	-127	159.4	-166.7	172.5	0	111.7
57	R	28.9	Very low	28.9	Very low	199 Å²	199	145.8 Å²	145.8	75%	0.751	75%	0.754	S	S	*	*			trans	56.6	163	138.1	-73.3	179.1	-175.1	-177.8	-2.7	119.5
58	Q	27.5	Very low	28.9	Very low	168 Å²	168	146.8 Å²	146.8	79%	0.785	76%	0.758	S	S	*	*			cis	-147.8	171.9	17.9	-150.7	147.5	-46.9	0	0	114.6
59	N	25.8	Very low	28.8	Very low	137 Å²	137	141.4 Å²	141.4	73%	0.733	75%	0.75	S	S	*	*			trans	-71.4	-174.7	-166.7	-48.1	12.3	0	0	0	117.4
60	S	27.8	Very low	28.6	Very low	108 Å²	108	139.3 Å²	139.3	76%	0.755	74%	0.743	S	S	*	*			trans	80.9	148.5	160.1	68.8	0	0	0	0	117.8
61	E	27.1	Very low	28.2	Very low	181 Å²	181	140.7 Å²	140.7	85%	0.846	74%	0.744	S	S	*	*			cis	-169.5	166.3	-36.1	-123.1	166.2	-162.8	0	0	108.7
62	S	26.9	Very low	28	Very low	101 Å²	101	141.2 Å²	141.2	71%	0.706	74%	0.744	S	S	*	*			trans	42.3	107.7	161.1	62.9	0	0	0	0	122.4
63	Y	27.4	Very low	27.6	Very low	216 Å²	216	145.2 Å²	145.2	85%	0.847	75%	0.75	S	S	*	*				34.5	152.2	120.8	-75.2	-86.5	0	0	0	124.6
64	D	28.4	Very low	28.1	Very low	132 Å²	132	145.5 Å²	145.5	71%	0.706	75%	0.75	S	S	*	*			trans	76.9	144.2	148.5	-76.3	9.2	0	0	0	120.7
65	I	28.5	Very low	28.7	Very low	126 Å²	126	145.2 Å²	145.2	65%	0.646	75%	0.747	S	S	*	*			cis	-164.8	151.1	-17	-136.9	170.5	0	0	0	111.6
66	T	27.1	Very low	28.9	Very low	120 Å²	120	145.9 Å²	145.9	74%	0.736	75%	0.748	S	S	*	*			trans	61.1	163.3	164.8	58.7	0	0	0	0	119.8
67	D	26.8	Very low	29.2	Very low	114 Å²	114	144.1 Å²	144.1	61%	0.61	75%	0.753	S	S	*	*			cis	-150.6	171.3	-4.9	-135.7	-24.4	0	0	0	113.7
68	K	26.3	Very low	29.3	Very low	170 Å²	170	139.8 Å²	139.8	74%	0.739	75%	0.753	S	S	*	*			trans	-14.4	161.5	159.7	-71	165.4	-157.3	112.7	0	121.4
69	V	26.4	Very low	30.1	Very low	115 Å²	115	137.2 Å²	137.2	70%	0.697	75%	0.751	S	S	*	*			cis	-168.3	148	7.8	118.8	0	0	0	0	115.4
70	E	24.4	Very low	30.4	Very low	149 Å²	149	137.7 Å²	137.7	70%	0.696	75%	0.752	S	S	*	*			trans	48.2	143.4	148.3	-64	-177.1	161.6	0	0	130.5
71	F	23.9	Very low	30.5	Very low	170 Å²	170	138.3 Å²	138.3	75%	0.746	75%	0.751	S	S	*	*			trans	53.4	155.2	146.2	-63.3	-54.6	0	0	0	122.8
72	T	23	Very low	30.7	Very low	135 Å²	135	137.6 Å²	137.6	83%	0.828	75%	0.75	S	S	*	*			cis	-152.4	178.4	15.2	-19.7	0	0	0	0	114.8
73	K	28.4	Very low	31.1	Very low	197 Å²	197	138.9 Å²	138.9	86%	0.857	76%	0.756	S	S	*	*			trans	-73.8	-173.1	172.3	-62.6	178.5	178.6	176.2	0	113.6
74	P	40.9	Very low	31.3	Very low	120 Å²	120	137.2 Å²	137.2	78%	0.779	76%	0.756	S	S	*	*			cis	-131.1	-141.6	7	37.6	-11.8	0	0	0	112.3
75	P	43.3	Very low	32.4	Very low	121 Å²	121	136 Å²	136	79%	0.786	76%	0.756	S	S	*	*			cis	-137.1	-142.1	-7	44.6	-22.1	0	0	0	116
76	T	36.8	Very low	32.4	Very low	123 Å²	123	134.9 Å²	134.9	76%	0.755	76%	0.764	S	S	*	*			trans	-140.6	174.4	-176.7	-25.5	0	0	0	0	111.7
77	P	38.1	Very low	32.7	Very low	125 Å²	125	138.9 Å²	138.9	81%	0.812	77%	0.772	S	S	*	*				-154	177.1	108.2	40	-21.2	0	0	0	118.2
78	S	30.1	Very low	32.9	Very low	108 Å²	108	139.1 Å²	139.1	76%	0.755	78%	0.779	S	S	*	*			trans	-119.6	-153.3	-178.2	-24.6	0	0	0	0	111.1
79	P	45.7	Very low	32.9	Very low	114 Å²	114	140.7 Å²	140.7	74%	0.74	79%	0.786	S	S	*	*			cis	-112	-144.8	-9.3	27.6	-2.8	0	0	0	111.2
80	I	30.8	Very low	33.4	Very low	147 Å²	147	140.5 Å²	140.5	75%	0.754	79%	0.788	S	S	*	*			cis	-152.9	-177.1	8.6	4.4	175.7	0	0	0	106.9
81	T	29.8	Very low	33.7	Very low	120 Å²	120	142.5 Å²	142.5	74%	0.736	80%	0.797	S	S	*	*			cis	-157.5	-174	16.9	-17.5	0	0	0	0	110
82	M	32.7	Very low	34.5	Very low	167 Å²	167	142.1 Å²	142.1	82%	0.823	80%	0.803	S	S	*	*			trans	-132.7	167	171.5	-60.8	-130.8	73.9	0	0	113.1
83	P	33.7	Very low	35	Very low	127 Å²	127	139.1 Å²	139.1	83%	0.825	80%	0.799	S	S	*	*				-138.6	-165.2	104.9	40.4	-27.4	0	0	0	115
84	E	32	Very low	35.2	Very low	181 Å²	181	138.3 Å²	138.3	85%	0.846	80%	0.798	S	S	*	*			trans	-114.6	-161.5	-149.2	-141.1	-155	153	0	0	115
85	P	51.6	Low	34.7	Very low	108 Å²	108	141.3 Å²	141.3	70%	0.701	80%	0.804	S	S	*	*				-124.5	178.7	-118.1	43.8	-26.8	0	0	0	117.1
86	A	28.1	Very low	34.2	Very low	101 Å²	101	144.5 Å²	144.5	84%	0.835	81%	0.805	S	S	*	*			trans	-146.9	149.2	163	0	0	0	0	0	112.6
87	K	33.9	Very low	34.2	Very low	204 Å²	204	147.4 Å²	147.4	89%	0.887	81%	0.81	S	S	*	*			trans	-104.6	154.8	169.9	-67	-177.8	178	179.5	0	109.8
88	P	31.2	Very low	34.2	Very low	119 Å²	119	150.7 Å²	150.7	77%	0.773	81%	0.812	S	S	*	*				-148.1	142.6	104.8	36.7	-21.3	0	0	0	116.6
89	K	27	Very low	34.8	Very low	203 Å²	203	148.3 Å²	148.3	88%	0.883	81%	0.805	S	S	*	*			trans	48.9	153.7	147.4	-72.8	-173.1	174.9	-176.7	0	122.2
90	P	36.9	Very low	35.4	Very low	112 Å²	112	148.4 Å²	148.4	73%	0.727	80%	0.799	S	S	*	*			trans	-90.7	150.8	178.7	36.7	-34.1	0	0	0	112.8
91	E	30.4	Very low	37.4	Very low	191 Å²	191	145.4 Å²	145.4	89%	0.893	79%	0.787	S	S	*	*			trans	-104.2	139	155.2	-70.1	-173.4	134.8	0	0	109	G93	E91-G93 VanDerWaalsContact C-N 3.28Å; E91-G93 PolarHBondContact O-N 2.87Å
92	N	40.6	Very low	40	Very low	162 Å²	162	143.2 Å²	143.2	87%	0.866	77%	0.768	S	S	*	*			trans	-77.3	82.6	173	-73.8	-11.4	0	0	0	108.8	E94	N92-E94 PolarHBondContact O-N 3.25Å
93	G	32.6	Very low	42.8	Very low	72 Å²	72	135.2 Å²	135.2	74%	0.742	73%	0.728	S	S	*	*			trans	-64.7	118	168.6	0	0	0	0	0	109.9	E91	E91-G93 VanDerWaalsContact C-N 3.28Å; E91-G93 PolarHBondContact O-N 2.87Å
94	E	32.9	Very low	45.5	Very low	180 Å²	180	131 Å²	131	84%	0.841	70%	0.702	S	S	*	*			trans	-53.7	144.1	-175.2	-63.5	159.8	141	0	0	112.1	N92 K96	N92-E94 PolarHBondContact O-N 3.25Å; E94-K96 PolarHBondContact O-N 2.86Å
95	M	30.7	Very low	48.5	Very low	183 Å²	183	123 Å²	123	90%	0.901	67%	0.666	S	S	*	*			trans	-59	109.4	160.6	-83.6	174.9	56.3	0	0	107.5	E97	M95-E97 PolarHBondContact O-N 3.01Å
96	K	33.8	Very low	50.5	Low	188 Å²	188	121.4 Å²	121.4	82%	0.817	66%	0.656	S	S	*	*			trans	-60.7	109.1	160.4	-74.8	-172.2	175.6	-176	0	107.1	E94 F98	E94-K96 PolarHBondContact O-N 2.86Å; K96-F98 PolarHBondContact O-N 3.15Å
97	E	36.2	Very low	53.7	Low	183 Å²	183	119.1 Å²	119.1	86%	0.855	63%	0.634	S	S	*	*			trans	-53.9	114.4	160	-65.6	-176.7	132.3	0	0	106.9	M95 G99	M95-E97 PolarHBondContact O-N 3.01Å; E97-G99 VanDerWaalsContact C-N 3.28Å; E97-G99 PolarHBondContact O-N 2.77Å
98	F	37.9	Very low	56.7	Low	194 Å²	194	110.6 Å²	110.6	85%	0.851	60%	0.599	S	S	*	*			trans	-65.8	100.1	159.6	-83.6	-97.3	0	0	0	105.2	K96 D100	K96-F98 PolarHBondContact O-N 3.15Å; F98-D100 PolarHBondContact O-N 3.29Å
99	G	43.2	Very low	59.8	Low	59 Å²	59	108.2 Å²	108.2	61%	0.608	58%	0.579	S	S	*	*			trans	-53	126.2	174.8	0	0	0	0	0	109	E97 V101	E97-G99 VanDerWaalsContact C-N 3.28Å; E97-G99 PolarHBondContact O-N 2.77Å; G99-V101 PolarHBondContact O-N 3.44Å
100	D	58.6	Low	63.1	Low	116 Å²	116	98.6 Å²	98.6	62%	0.62	54%	0.538	S	S	*	.			trans	-50.7	113.8	-170.6	-80.4	-50.3	0	0	0	110.8	F98 K102 K225	F98-D100 PolarHBondContact O-N 3.29Å; D100-K102 PolarHBondContact O-N 3.22Å; D100-K225 IonicContact OD2-NZ 3.78Å; D100-K225 PolarHBondContact OD2-NZ 3.44Å
101	V	72.5	Confident	65.9	Low	83 Å²	83	95.4 Å²	95.4	50%	0.503	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-73.1	117.5	-177.4	-172.8	0	0	0	0	108	G99 L103 N147 R148	G99-V101 PolarHBondContact O-N 3.44Å; V101-L103 PolarHBondContact O-N 3.3Å; V101-N147 WeakPolarHBondContact CG1-ND2 3.45Å; V101-R148 PolarHBondContact O-NE 2.6Å
102	K	84.6	Confident	68.9	Low	74 Å²	74	86.5 Å²	86.5	32%	0.322	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-48.1	132.1	175.5	-174.6	172.2	-152.4	-139.6	0	110.7	D100 S104 N147 D226 E228 T230	D100-K102 PolarHBondContact O-N 3.22Å; K102-S104 PolarHBondContact O-N 3.23Å; K102-N147 PolarHBondContact O-ND2 3.34Å; K102-D226 WeakPolarHBondContact CE-OD1 3.49Å; K102-D226 WeakPolarHBondContact CE-OD2 2.93Å; K102-D226 WeakPolarHBondContact CG-OD1 3.34Å; K102-D226 WeakPolarHBondContact CG-OD2 3.28Å; K102-E228 WeakPolarHBondContact CE-O 3.28Å; K102-E228 PolarHBondContact NZ-O 3.03Å; K102-T230 WeakPolarHBondContact CD-OG1 3.44Å; K102-T230 VanDerWaalsContact CE-OG1 3.23Å; K102-T230 WeakPolarHBondContact CE-OG1 3.42Å; K102-T230 PolarHBondContact NZ-OG1 2.8Å
103	L	89.9	Confident	71.4	Confident	0 Å²	0	81.7 Å²	81.7	0%	0	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-67.2	124.5	179.1	-171.9	70.6	0	0	0	110.5	V101 F146 R148 F150 D155 T221 T230	V101-L103 PolarHBondContact O-N 3.3Å; L103-F146 HydrophobicContact CD1-CB 3.82Å; L103-F146 HydrophobicContact CD1-CD1 3.8Å; L103-F146 HydrophobicContact CD1-CG 3.86Å; L103-F146 HydrophobicContact CD2-CD1 4.19Å; L103-F146 HydrophobicContact CD2-CE1 4.15Å; L103-F146 HydrophobicContact CG-CD1 3.9Å; L103-F146 HydrophobicContact CG-CE1 4.32Å; L103-F146 HydrophobicContact CG-CG 4.46Å; L103-R148 HydrophobicContact CD1-CG 3.97Å; L103-F150 HydrophobicContact CD2-CD2 3.74Å; L103-F150 HydrophobicContact CD2-CE2 4.29Å; L103-D155 HydrophobicContact CD2-CB 3.9Å; L103-T221 HydrophobicContact CD2-CG2 3.97Å; L103-T221 HydrophobicContact CG-CG2 4.49Å; L103-T221 PolarHBondContact O-OG1 2.79Å; L103-T221 VanDerWaalsContact O-OG1 3.1Å; L103-T230 PolarHBondContact O-OG1 3.44Å
104	S	91.1	Very high	74.3	Confident	39 Å²	39	81.3 Å²	81.3	27%	0.273	43%	0.43	S	S	.	.			trans	-138	142.1	175.6	67.5	0	0	0	0	111.7	K102 F146 N147	K102-S104 PolarHBondContact O-N 3.23Å; S104-F146 WeakPolarHBondContact O-CA 3.28Å; S104-N147 PolarHBondContact N-OD1 2.73Å; S104-N147 PolarHBondContact O-N 2.92Å; S104-N147 PolarHBondContact O-OD1 2.88Å; S104-N147 VanDerWaalsContact OG-CG 3.25Å; S104-N147 PolarHBondContact OG-ND2 2.72Å; S104-N147 VanDerWaalsContact OG-ND2 3.1Å
105	V	95.1	Very high	77.1	Confident	13 Å²	13	77.8 Å²	77.8	8%	0.079	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	124.1	174	178.6	0	0	0	0	110.2	S107 V108 I144 F146 V219 H232	V105-S107 WeakPolarHBondContact CG1-O 3.5Å; V105-V108 HydrophobicContact CG1-CG2 3.74Å; V105-I144 HydrophobicContact CB-CG2 4.45Å; V105-I144 HydrophobicContact CG1-CG2 3.85Å; V105-I144 HydrophobicContact CG2-CG2 3.9Å; V105-F146 HydrophobicContact CG2-CD1 4Å; V105-F146 HydrophobicContact CG2-CE1 3.65Å; V105-V219 HydrophobicContact CG2-CB 4.22Å; V105-V219 HydrophobicContact CG2-CG1 3.78Å; V105-H232 HydrophobicContact CB-CB 3.77Å; V105-H232 HydrophobicContact CG1-CB 4.27Å; V105-H232 HydrophobicContact CG2-CB 4.16Å; V105-H232 PolarHBondContact O-ND1 2.73Å
106	C	94.3	Very high	80.2	Confident	74 Å²	74	69.7 Å²	69.7	50%	0.5	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-43	172.4	-67.1	0	0	0	0	111.3	E145 F146 N147	C106-E145 WeakPolarHBondContact CB-O 3.29Å; C106-E145 PolarHBondContact N-O 2.8Å; C106-F146 VanDerWaalsContact SG-C 3.59Å; C106-N147 PolarHBondContact SG-N 2.92Å; C106-N147 VanDerWaalsContact SG-N 3.44Å
107	S	95.1	Very high	83.1	Confident	52 Å²	52	63.2 Å²	63.2	36%	0.364	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	161.4	177.8	59.3	0	0	0	0	111.9	V105 E145	V105-S107 WeakPolarHBondContact CG1-O 3.5Å; S107-E145 PolarHBondContact N-O 3.06Å; S107-E145 PolarHBondContact O-N 3.42Å; S107-E145 WeakPolarHBondContact OG-CB 3.4Å
108	V	96.3	Very high	86	Confident	26 Å²	26	54.6 Å²	54.6	16%	0.158	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	129.3	172.8	178.9	0	0	0	0	108	V105 L110 M142 E143 I144 L217 V219 P234	V105-V108 HydrophobicContact CG1-CG2 3.74Å; V108-L110 HydrophobicContact CG1-CD2 4.16Å; V108-M142 HydrophobicContact CG1-CE 3.47Å; V108-M142 VanDerWaalsContact CG1-CE 3.47Å; V108-E143 CarbonylContact C-O 3.6Å; V108-E143 WeakPolarHBondContact CA-O 3.45Å; V108-I144 HydrophobicContact CG2-CG1 4.35Å; V108-I144 HydrophobicContact CG2-CG2 4.36Å; V108-L217 HydrophobicContact CG1-CD2 4.39Å; V108-V219 HydrophobicContact CG2-CG2 4.07Å; V108-P234 HydrophobicContact CB-CB 4.32Å; V108-P234 HydrophobicContact CB-CG 3.87Å; V108-P234 HydrophobicContact CG1-CG 4.27Å; V108-P234 HydrophobicContact CG2-CG 3.72Å
109	D	95.8	Very high	88.8	Confident	68 Å²	68	45.3 Å²	45.3	36%	0.364	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	127.7	165.1	-167.6	3.2	0	0	0	110.1	L111 M142 E143	D109-L111 PolarHBondContact O-N 3.21Å; D109-L111 PolarHBondContact OD1-N 2.99Å; D109-M142 CarbonylContact O-C 3.58Å; D109-M142 WeakPolarHBondContact O-CA 3.23Å; D109-M142 WeakPolarHBondContact O-CB 3.27Å; D109-E143 PolarHBondContact N-O 3.01Å; D109-E143 PolarHBondContact O-N 2.89Å
110	L	96.1	Very high	91.4	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	28%	0.275	C	S	.	.			trans	-85.9	5.6	177.3	-62.5	179.6	0	0	0	112.5	V108 S112 N118 L132 M142 L217 K236 I238	V108-L110 HydrophobicContact CG1-CD2 4.16Å; L110-S112 PolarHBondContact O-N 3.19Å; L110-S112 VanDerWaalsContact O-N 3.08Å; L110-N118 PolarHBondContact O-ND2 2.98Å; L110-L132 HydrophobicContact CB-CB 3.99Å; L110-L132 HydrophobicContact CB-CD2 3.99Å; L110-L132 HydrophobicContact CB-CG 4.49Å; L110-L132 HydrophobicContact CD1-CB 3.96Å; L110-L132 HydrophobicContact CD1-CD2 4.5Å; L110-L132 HydrophobicContact CD2-CD2 4.36Å; L110-M142 HydrophobicContact CD2-CB 4.46Å; L110-M142 HydrophobicContact CD2-CE 4.27Å; L110-L217 HydrophobicContact CD2-CD2 3.86Å; L110-K236 HydrophobicContact CD1-CB 3.6Å; L110-K236 HydrophobicContact CD1-CD 4.16Å; L110-I238 HydrophobicContact CD1-CG1 3.97Å; L110-I238 HydrophobicContact CD2-CD1 4.13Å; L110-I238 HydrophobicContact CD2-CG1 4.44Å
111	L	95.3	Very high	93.2	Very high	45 Å²	45	44.9 Å²	44.9	24%	0.236	27%	0.268	C	S	.	.			trans	51.2	35.6	-178.2	-55	176.1	0	0	0	111.6	D109 S113 Q141	D109-L111 PolarHBondContact O-N 3.21Å; D109-L111 PolarHBondContact OD1-N 2.99Å; L111-S113 PolarHBondContact O-N 2.68Å; L111-S113 VanDerWaalsContact O-N 3.15Å; L111-Q141 HydrophobicContact CD1-CB 3.83Å
112	S	94.4	Very high	94.4	Very high	4 Å²	4	41 Å²	41	3%	0.028	24%	0.244	C	C	.	.			trans	-81.4	8.9	-161.3	64.2	0	0	0	0	115.4	L110 D130 K236	L110-S112 PolarHBondContact O-N 3.19Å; L110-S112 VanDerWaalsContact O-N 3.08Å; S112-D130 VanDerWaalsContact CB-O 3.3Å; S112-D130 WeakPolarHBondContact CB-O 3.45Å; S112-D130 PolarHBondContact OG-O 2.94Å; S112-K236 PolarHBondContact OG-NZ 2.89Å
113	S	93.8	Very high	95.1	Very high	61 Å²	61	39.9 Å²	39.9	43%	0.427	24%	0.24	S	C	.	.			trans	-61.6	138.3	177.6	-177	0	0	0	0	111.3	L111 S115 G116 R119	L111-S113 PolarHBondContact O-N 2.68Å; L111-S113 VanDerWaalsContact O-N 3.15Å; S113-S115 VanDerWaalsContact C-N 3.25Å; S113-S115 PolarHBondContact O-N 2.81Å; S113-G116 WeakPolarHBondContact O-CA 3.49Å; S113-G116 PolarHBondContact O-N 2.83Å; S113-R119 WeakPolarHBondContact O-CB 3.43Å; S113-R119 VanDerWaalsContact O-CG 3.28Å; S113-R119 WeakPolarHBondContact O-CG 3.32Å
114	K	92.5	Very high	95.5	Very high	64 Å²	64	40 Å²	40	28%	0.278	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-33.7	179.7	-57.6	-172.9	-177.7	-158	0	114.2	G116 D125 Y127 G129	K114-G116 VanDerWaalsContact C-N 3.3Å; K114-D125 VanDerWaalsContact O-CB 3.32Å; K114-D125 WeakPolarHBondContact O-CB 3.41Å; K114-Y127 VanDerWaalsContact CE-O 3.28Å; K114-Y127 WeakPolarHBondContact CE-O 3.49Å; K114-Y127 PolarHBondContact NZ-O 3.13Å; K114-G129 WeakPolarHBondContact CE-O 3.4Å
115	S	92.6	Very high	95.8	Very high	107 Å²	107	40.9 Å²	40.9	75%	0.748	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	12.3	174.8	66	0	0	0	0	112.8	S113	S113-S115 VanDerWaalsContact C-N 3.25Å; S113-S115 PolarHBondContact O-N 2.81Å
116	G	94.3	Very high	95.8	Very high	12 Å²	12	44.3 Å²	44.3	12%	0.124	26%	0.26	C	S	.	.	S	Bend	trans	-93.7	156.7	174.2	0	0	0	0	0	111.6	S113 K114 N118 R119 T120	S113-G116 WeakPolarHBondContact O-CA 3.49Å; S113-G116 PolarHBondContact O-N 2.83Å; K114-G116 VanDerWaalsContact C-N 3.3Å; G116-N118 VanDerWaalsContact C-N 3.33Å; G116-N118 PolarHBondContact O-N 2.67Å; G116-R119 PolarHBondContact O-N 3Å; G116-T120 PolarHBondContact O-N 2.75Å; G116-T120 PolarHBondContact O-OG1 3.11Å
117	P	95.1	Very high	95.9	Very high	52 Å²	52	41 Å²	41	34%	0.338	24%	0.237	S	C	.	.	H	α-helix	trans	-53.9	-46	-170.7	20	-32.5	0	0	0	112.6	R119 T120 E121	P117-R119 VanDerWaalsContact C-N 3.25Å; P117-R119 PolarHBondContact O-N 3.41Å; P117-R119 VanDerWaalsContact O-N 3.13Å; P117-T120 PolarHBondContact O-N 3.04Å; P117-T120 PolarHBondContact O-OG1 2.73Å; P117-E121 WeakPolarHBondContact CB-OE1 3.44Å; P117-E121 VanDerWaalsContact O-CB 3.23Å; P117-E121 WeakPolarHBondContact O-CB 3.3Å; P117-E121 VanDerWaalsContact O-CG 3.32Å; P117-E121 WeakPolarHBondContact O-CG 3.41Å; P117-E121 PolarHBondContact O-N 3.31Å
118	N	97.1	Very high	95.6	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.011	24%	0.242	C	C	.	.	H	α-helix	trans	-51.4	-39.2	178	-73.1	-2.9	0	0	0	114.1	L110 G116 H122 L132 Q141	L110-N118 PolarHBondContact O-ND2 2.98Å; G116-N118 VanDerWaalsContact C-N 3.33Å; G116-N118 PolarHBondContact O-N 2.67Å; N118-H122 WeakPolarHBondContact O-CB 3.18Å; N118-H122 PolarHBondContact O-CD2 2.63Å; N118-L132 HydrophobicContact CB-CD1 3.89Å; N118-Q141 PolarHBondContact ND2-O 3.18Å; N118-Q141 PolarHBondContact OD1-N 3.4Å
119	R	97.1	Very high	95.2	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-85.6	-35.7	-176.6	-67.5	-69.8	-63.1	-106.8	-9.7	111.6	S113 G116 P117 H123 T124 D125 Y127 E131	S113-R119 WeakPolarHBondContact O-CB 3.43Å; S113-R119 VanDerWaalsContact O-CG 3.28Å; S113-R119 WeakPolarHBondContact O-CG 3.32Å; G116-R119 PolarHBondContact O-N 3Å; P117-R119 VanDerWaalsContact C-N 3.25Å; P117-R119 PolarHBondContact O-N 3.41Å; P117-R119 VanDerWaalsContact O-N 3.13Å; R119-H123 PolarHBondContact O-N 3Å; R119-T124 WeakPolarHBondContact CD-OG1 3.14Å; R119-T124 VanDerWaalsContact CZ-O 3.28Å; R119-T124 PolarHBondContact NE-O 3.42Å; R119-T124 PolarHBondContact NE-OG1 3.21Å; R119-T124 PolarHBondContact NH2-O 2.89Å; R119-T124 CarbonylContact O-C 3.56Å; R119-T124 PolarHBondContact O-N 2.8Å; R119-T124 PolarHBondContact O-OG1 3.26Å; R119-D125 HydrophobicContact CB-CB 4.34Å; R119-D125 PolarHBondContact O-N 3.31Å; R119-Y127 PolarHBondContact NH2-O 3.12Å; R119-Y127 VanDerWaalsContact NH2-O 3.11Å; R119-E131 PolarHBondContact NH1-O 2.75Å
120	T	97.1	Very high	94.7	Very high	65 Å²	65	44.9 Å²	44.9	40%	0.399	25%	0.253	S	S	.	.	H	α-helix	trans	-75.9	-40.3	178.3	52.2	0	0	0	0	112.9	G116 P117 H123 D125	G116-T120 PolarHBondContact O-N 2.75Å; G116-T120 PolarHBondContact O-OG1 3.11Å; P117-T120 PolarHBondContact O-N 3.04Å; P117-T120 PolarHBondContact O-OG1 2.73Å; T120-H123 PolarHBondContact O-N 3.33Å; T120-D125 HydrophobicContact CG2-CB 4.31Å
121	E	97.4	Very high	94.5	Very high	100 Å²	100	49.6 Å²	49.6	47%	0.467	28%	0.275	S	S	.	.	H	α-helix	trans	-76.8	-29.9	-176.6	-66.7	169.7	-155.7	0	0	112.3	P117 H123 Q138	P117-E121 WeakPolarHBondContact CB-OE1 3.44Å; P117-E121 VanDerWaalsContact O-CB 3.23Å; P117-E121 WeakPolarHBondContact O-CB 3.3Å; P117-E121 VanDerWaalsContact O-CG 3.32Å; P117-E121 WeakPolarHBondContact O-CG 3.41Å; P117-E121 PolarHBondContact O-N 3.31Å; E121-H123 VanDerWaalsContact C-N 3.31Å; E121-H123 PolarHBondContact O-CD2 3.22Å; E121-Q138 PolarHBondContact O-NE2 3.08Å
122	H	98.3	Very high	94.6	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	4	171.3	-71.9	-99.7	0	0	0	113.2	N118 T124 R135 Q138 A139	N118-H122 WeakPolarHBondContact O-CB 3.18Å; N118-H122 PolarHBondContact O-CD2 2.63Å; H122-T124 HydrophobicContact CB-CG2 4.23Å; H122-T124 WeakPolarHBondContact O-CG2 3.32Å; H122-T124 PolarHBondContact O-N 3Å; H122-R135 HydrophobicContact CB-CG 4.37Å; H122-R135 PolarHBondContact CE1-O 2.94Å; H122-R135 PolarHBondContact ND1-N 2.83Å; H122-R135 PolarHBondContact ND1-O 2.85Å; H122-R135 WeakPolarHBondContact O-CD 3.17Å; H122-R135 WeakPolarHBondContact O-CG 3.35Å; H122-R135 PolarHBondContact O-NE 3.04Å; H122-Q138 VanDerWaalsContact CE1-CG 3.45Å; H122-Q138 WeakPolarHBondContact CE1-CG 3.1Å; H122-Q138 PolarHBondContact ND1-OE1 3.44Å; H122-A139 PolarHBondContact NE2-O 3.42Å
123	H	98.2	Very high	94.7	Very high	52 Å²	52	47.4 Å²	47.4	24%	0.241	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	50.8	-177.1	-53.5	-96.9	0	0	0	112.6	R119 T120 E121 R135 W245 L264	R119-H123 PolarHBondContact O-N 3Å; T120-H123 PolarHBondContact O-N 3.33Å; E121-H123 VanDerWaalsContact C-N 3.31Å; E121-H123 PolarHBondContact O-CD2 3.22Å; H123-R135 PolarHBondContact O-NH2 3.3Å; H123-W245 HydrophobicContact CB-CH2 4.06Å; H123-W245 HydrophobicContact CB-CZ2 4.11Å; H123-W245 HydrophobicContact CB-CZ3 4.25Å; H123-W245 AromaticContact CD2-CD1 3.8Å; H123-W245 AromaticContact CD2-CD2 3.74Å; H123-W245 AromaticContact CD2-CE2 3.71Å; H123-W245 AromaticContact CD2-CG 3.88Å; H123-W245 AromaticContact CD2-NE1 3.79Å; H123-W245 AromaticContact CE1-CD1 3.97Å; H123-W245 AromaticContact CE1-CE2 3.98Å; H123-W245 AromaticContact CE1-NE1 3.56Å; H123-W245 AromaticContact CG-CE2 3.77Å; H123-W245 AromaticContact CG-CZ2 3.89Å; H123-W245 AromaticContact ND1-CE2 3.94Å; H123-W245 AromaticContact ND1-NE1 3.96Å; H123-W245 AromaticContact NE2-CD1 3.4Å; H123-W245 AromaticContact NE2-CE2 3.86Å; H123-W245 AromaticContact NE2-CG 3.93Å; H123-W245 AromaticContact NE2-NE1 3.44Å; H123-W245 PolarHBondContact NE2-NE1 3.1Å; H123-L264 HydrophobicContact CB-CD1 4.49Å; H123-L264 HydrophobicContact CB-CD2 4.37Å
124	T	98.4	Very high	95	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	24%	0.243	C	C	.	.			trans	-128.9	2.6	179.1	62.9	0	0	0	0	113.2	R119 H122 L126 Y127 I133 R135	R119-T124 WeakPolarHBondContact CD-OG1 3.14Å; R119-T124 VanDerWaalsContact CZ-O 3.28Å; R119-T124 PolarHBondContact NE-O 3.42Å; R119-T124 PolarHBondContact NE-OG1 3.21Å; R119-T124 PolarHBondContact NH2-O 2.89Å; R119-T124 CarbonylContact O-C 3.56Å; R119-T124 PolarHBondContact O-N 2.8Å; R119-T124 PolarHBondContact O-OG1 3.26Å; H122-T124 HydrophobicContact CB-CG2 4.23Å; H122-T124 WeakPolarHBondContact O-CG2 3.32Å; H122-T124 PolarHBondContact O-N 3Å; T124-L126 PolarHBondContact O-N 3.47Å; T124-Y127 HydrophobicContact CG2-CD2 4.38Å; T124-Y127 HydrophobicContact CG2-CE2 4.22Å; T124-Y127 WeakPolarHBondContact O-CD2 3.3Å; T124-Y127 PolarHBondContact O-N 3.22Å; T124-I133 WeakPolarHBondContact CB-O 3.4Å; T124-I133 HydrophobicContact CG2-CB 4.44Å; T124-I133 HydrophobicContact CG2-CG2 3.96Å; T124-I133 WeakPolarHBondContact CG2-O 3.38Å; T124-I133 PolarHBondContact OG1-O 2.84Å; T124-R135 HydrophobicContact CG2-CG 4.26Å
125	D	96.7	Very high	95.3	Very high	59 Å²	59	41.4 Å²	41.4	32%	0.316	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-34.4	176.5	62.9	-63.5	0	0	0	113.5	K114 R119 T120 Y127	K114-D125 VanDerWaalsContact O-CB 3.32Å; K114-D125 WeakPolarHBondContact O-CB 3.41Å; R119-D125 HydrophobicContact CB-CB 4.34Å; R119-D125 PolarHBondContact O-N 3.31Å; T120-D125 HydrophobicContact CG2-CB 4.31Å; D125-Y127 PolarHBondContact O-N 3.35Å
126	L	95.5	Very high	95.5	Very high	85 Å²	85	36.3 Å²	36.3	45%	0.445	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-33.6	-179.7	-60.5	-179.3	0	0	0	114.3	T124 F288	T124-L126 PolarHBondContact O-N 3.47Å; L126-F288 HydrophobicContact CB-CB 4.13Å; L126-F288 HydrophobicContact CB-CD1 3.83Å; L126-F288 HydrophobicContact CB-CD2 4.01Å; L126-F288 HydrophobicContact CB-CE1 4.3Å; L126-F288 HydrophobicContact CB-CE2 4.46Å; L126-F288 HydrophobicContact CB-CG 3.69Å; L126-F288 HydrophobicContact CD1-CD2 4.03Å; L126-F288 HydrophobicContact CD1-CE2 3.83Å; L126-F288 HydrophobicContact CD1-CZ 4.14Å
127	Y	96.3	Very high	95.6	Very high	3 Å²	3	36.6 Å²	36.6	1%	0.012	20%	0.197	C	C	.	.	S	Bend	trans	-58.5	144.8	-177.1	-72.1	-84.3	0	0	0	111.8	K114 R119 T124 D125 I133 L241 F288 L293 C386	K114-Y127 VanDerWaalsContact CE-O 3.28Å; K114-Y127 WeakPolarHBondContact CE-O 3.49Å; K114-Y127 PolarHBondContact NZ-O 3.13Å; R119-Y127 PolarHBondContact NH2-O 3.12Å; R119-Y127 VanDerWaalsContact NH2-O 3.11Å; T124-Y127 HydrophobicContact CG2-CD2 4.38Å; T124-Y127 HydrophobicContact CG2-CE2 4.22Å; T124-Y127 WeakPolarHBondContact O-CD2 3.3Å; T124-Y127 PolarHBondContact O-N 3.22Å; D125-Y127 PolarHBondContact O-N 3.35Å; Y127-I133 HydrophobicContact CD2-CD1 4.29Å; Y127-I133 HydrophobicContact CD2-CG2 4.39Å; Y127-I133 HydrophobicContact CG-CD1 3.9Å; Y127-L241 HydrophobicContact CE2-CD1 3.86Å; Y127-F288 AromaticContact CD1-CD1 3.71Å; Y127-F288 HydrophobicContact CD1-CD1 3.71Å; Y127-F288 HydrophobicContact CD1-CE1 4.44Å; Y127-F288 AromaticContact CD2-CD1 3.79Å; Y127-F288 HydrophobicContact CD2-CD1 3.79Å; Y127-F288 HydrophobicContact CD2-CE1 4.08Å; Y127-F288 AromaticContact CE1-CD1 3.64Å; Y127-F288 HydrophobicContact CE1-CD1 3.64Å; Y127-F288 AromaticContact CE1-CE1 3.99Å; Y127-F288 HydrophobicContact CE1-CE1 3.99Å; Y127-F288 AromaticContact CE2-CD1 3.76Å; Y127-F288 HydrophobicContact CE2-CD1 3.76Å; Y127-F288 AromaticContact CE2-CE1 3.61Å; Y127-F288 HydrophobicContact CE2-CE1 3.61Å; Y127-F288 AromaticContact CG-CD1 3.76Å; Y127-F288 HydrophobicContact CG-CD1 3.76Å; Y127-F288 HydrophobicContact CG-CE1 4.47Å; Y127-F288 AromaticContact CZ-CD1 3.66Å; Y127-F288 AromaticContact CZ-CE1 3.54Å; Y127-L293 HydrophobicContact CD1-CB 4.36Å; Y127-L293 HydrophobicContact CD1-CD2 4.22Å; Y127-L293 HydrophobicContact CE1-CD2 4.49Å; Y127-C386 PolarHBondContact OH-O 3.49Å
128	H	90.2	Very high	95.7	Very high	105 Å²	105	36.2 Å²	36.2	49%	0.486	19%	0.19	S	C	.	.	S	Bend	trans	-61.7	166.4	169.5	-151.4	78.5	0	0	0	112.6	F288 E290	H128-F288 PolarHBondContact N-O 2.75Å; H128-E290 HydrophobicContact CB-CB 3.96Å
129	G	86.8	Confident	95.7	Very high	16 Å²	16	37.9 Å²	37.9	17%	0.165	20%	0.204	C	C	.	.	S	Bend	trans	78.1	169	177	0	0	0	0	0	115.5	K114 E131	K114-G129 WeakPolarHBondContact CE-O 3.4Å; G129-E131 VanDerWaalsContact C-OE2 3.23Å; G129-E131 WeakPolarHBondContact CA-OE2 3.39Å
130	D	85.5	Confident	95.7	Very high	108 Å²	108	38 Å²	38	58%	0.578	21%	0.205	S	C	*	.	S	Bend	trans	-111.8	15	-177.1	-70.3	-35.4	0	0	0	112.3	S112	S112-D130 VanDerWaalsContact CB-O 3.3Å; S112-D130 WeakPolarHBondContact CB-O 3.45Å; S112-D130 PolarHBondContact OG-O 2.94Å
131	E	91.6	Very high	95.7	Very high	100 Å²	100	37.3 Å²	37.3	47%	0.467	20%	0.197	S	C	.	.	S	Bend	trans	-67.3	157.2	174.8	-57	71.1	-152	0	0	110.8	R119 G129 I133	R119-E131 PolarHBondContact NH1-O 2.75Å; G129-E131 VanDerWaalsContact C-OE2 3.23Å; G129-E131 WeakPolarHBondContact CA-OE2 3.39Å; E131-I133 PolarHBondContact O-N 3.47Å
132	L	96.9	Very high	95.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	105.3	169.2	-177.4	61.7	0	0	0	109	L110 N118 I134 F140 I238 V239	L110-L132 HydrophobicContact CB-CB 3.99Å; L110-L132 HydrophobicContact CB-CD2 3.99Å; L110-L132 HydrophobicContact CB-CG 4.49Å; L110-L132 HydrophobicContact CD1-CB 3.96Å; L110-L132 HydrophobicContact CD1-CD2 4.5Å; L110-L132 HydrophobicContact CD2-CD2 4.36Å; N118-L132 HydrophobicContact CB-CD1 3.89Å; L132-I134 HydrophobicContact CD1-CG2 3.66Å; L132-I134 HydrophobicContact CD2-CG2 4.32Å; L132-I134 HydrophobicContact CG-CG2 3.87Å; L132-F140 HydrophobicContact CD2-CD2 3.62Å; L132-F140 HydrophobicContact CD2-CE2 3.71Å; L132-F140 HydrophobicContact CD2-CG 4.43Å; L132-I238 HydrophobicContact CB-CG1 4.44Å; L132-I238 HydrophobicContact CB-CG2 4.46Å; L132-I238 HydrophobicContact CD2-CD1 4.1Å; L132-I238 HydrophobicContact CD2-CG1 4.14Å; L132-I238 HydrophobicContact CD2-CG2 4.06Å; L132-I238 HydrophobicContact CG-CG2 4.19Å; L132-I238 WeakPolarHBondContact O-CA 3.41Å; L132-V239 PolarHBondContact O-N 2.86Å
133	I	98.3	Very high	95.7	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	119	170.9	-51.9	164.4	0	0	0	107.3	T124 Y127 E131 V239 L241 L293	T124-I133 WeakPolarHBondContact CB-O 3.4Å; T124-I133 HydrophobicContact CG2-CB 4.44Å; T124-I133 HydrophobicContact CG2-CG2 3.96Å; T124-I133 WeakPolarHBondContact CG2-O 3.38Å; T124-I133 PolarHBondContact OG1-O 2.84Å; Y127-I133 HydrophobicContact CD2-CD1 4.29Å; Y127-I133 HydrophobicContact CD2-CG2 4.39Å; Y127-I133 HydrophobicContact CG-CD1 3.9Å; E131-I133 PolarHBondContact O-N 3.47Å; I133-V239 WeakPolarHBondContact CA-O 3.48Å; I133-V239 HydrophobicContact CB-CB 4.47Å; I133-V239 HydrophobicContact CG1-CB 4.18Å; I133-V239 HydrophobicContact CG1-CG2 4.48Å; I133-V239 HydrophobicContact CG2-CB 4.25Å; I133-V239 HydrophobicContact CG2-CG1 4.33Å; I133-L241 HydrophobicContact CG2-CD1 3.6Å; I133-L241 HydrophobicContact CG2-CG 3.94Å; I133-L293 HydrophobicContact CD1-CD2 3.5Å; I133-L293 VanDerWaalsContact CD1-CD2 3.5Å; I133-L293 HydrophobicContact CG1-CD2 3.98Å; I133-L293 HydrophobicContact CG2-CD2 4.29Å
134	I	98.4	Very high	95.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	170.7	-178.2	53.8	171.1	0	0	0	110.6	L132 F140 I238 V239 I240 L241	L132-I134 HydrophobicContact CD1-CG2 3.66Å; L132-I134 HydrophobicContact CD2-CG2 4.32Å; L132-I134 HydrophobicContact CG-CG2 3.87Å; I134-F140 HydrophobicContact CD1-CD1 3.37Å; I134-F140 HydrophobicContact CD1-CE1 3.53Å; I134-F140 HydrophobicContact CD1-CG 3.94Å; I134-F140 HydrophobicContact CD1-CZ 4.22Å; I134-F140 HydrophobicContact CG2-CB 4.01Å; I134-F140 HydrophobicContact CG2-CG 4.34Å; I134-I238 HydrophobicContact CD1-CG2 3.83Å; I134-I238 HydrophobicContact CG1-CG2 3.94Å; I134-V239 WeakPolarHBondContact CG1-O 3.25Å; I134-V239 PolarHBondContact N-O 3.43Å; I134-I240 HydrophobicContact CD1-CG1 4.24Å; I134-I240 HydrophobicContact CG1-CG1 4.18Å; I134-L241 PolarHBondContact O-N 2.88Å
135	R	98.7	Very high	95.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	142.8	173.4	-55.9	-175.1	-175.9	-86.6	-2	109.9	H122 H123 T124 L241 F242 N243	H122-R135 HydrophobicContact CB-CG 4.37Å; H122-R135 PolarHBondContact CE1-O 2.94Å; H122-R135 PolarHBondContact ND1-N 2.83Å; H122-R135 PolarHBondContact ND1-O 2.85Å; H122-R135 WeakPolarHBondContact O-CD 3.17Å; H122-R135 WeakPolarHBondContact O-CG 3.35Å; H122-R135 PolarHBondContact O-NE 3.04Å; H123-R135 PolarHBondContact O-NH2 3.3Å; T124-R135 HydrophobicContact CG2-CG 4.26Å; R135-L241 WeakPolarHBondContact CA-O 3.33Å; R135-L241 HydrophobicContact CG-CB 4.36Å; R135-F242 PolarHBondContact NH1-O 3.14Å; R135-N243 HydrophobicContact CB-CB 3.63Å; R135-N243 VanDerWaalsContact CB-CG 3.46Å; R135-N243 WeakPolarHBondContact CD-OD1 3.43Å
136	R	98.3	Very high	95.5	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	164.5	178.7	66.6	-168.9	-169.9	152.7	13.9	112.9	Q138 A208 A210 I240 L241 F242 N243 D249 T250 G311	R136-Q138 PolarHBondContact O-N 3.39Å; R136-A208 VanDerWaalsContact CD-O 3.29Å; R136-A208 WeakPolarHBondContact CD-O 3.49Å; R136-A208 PolarHBondContact NE-O 3.1Å; R136-A208 PolarHBondContact NH1-O 2.91Å; R136-A208 PolarHBondContact NH2-O 2.86Å; R136-A210 HydrophobicContact CB-CB 3.99Å; R136-A210 WeakPolarHBondContact CD-O 3.41Å; R136-A210 PolarHBondContact NH1-O 3.47Å; R136-I240 HydrophobicContact CB-CG2 3.97Å; R136-L241 PolarHBondContact N-O 2.99Å; R136-F242 VanDerWaalsContact CZ-CD1 3.41Å; R136-F242 VanDerWaalsContact NH2-CD1 3.32Å; R136-N243 HydrophobicContact CG-CB 4.34Å; R136-N243 WeakPolarHBondContact O-CB 3.18Å; R136-N243 PolarHBondContact O-ND2 2.91Å; R136-D249 WeakPolarHBondContact CG-OD2 3.45Å; R136-D249 IonicContact CZ-OD1 2.63Å; R136-D249 IonicContact CZ-OD2 3.54Å; R136-D249 IonicContact NE-OD1 3.6Å; R136-D249 IonicContact NE-OD2 3.85Å; R136-D249 PolarHBondContact NE-OD2 3.16Å; R136-D249 IonicContact NH2-OD1 2.74Å; R136-D249 PolarHBondContact NH2-OD1 3.39Å; R136-D249 IonicContact NH2-OD2 3.65Å; R136-D249 PolarHBondContact NH2-OD2 3.38Å; R136-T250 PolarHBondContact NH2-OG1 2.87Å; R136-G311 PolarHBondContact NH1-O 3.1Å
137	G	96.9	Very high	95.4	Very high	18 Å²	18	31.4 Å²	31.4	19%	0.186	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	10.6	-179.4	0	0	0	0	0	114.2	S206 P207	G137-S206 WeakPolarHBondContact CA-O 3.49Å; G137-S206 PolarHBondContact N-O 3.22Å; G137-S206 PolarHBondContact N-OG 2.85Å; G137-P207 PolarHBondContact N-O 2.65Å
138	Q	96.9	Very high	95.3	Very high	44 Å²	44	33.9 Å²	33.9	21%	0.206	18%	0.176	C	C	.	.	S	Bend	trans	-141	141	-177	-176.4	178.3	0.4	0	0	108.9	E121 H122 R136 S206 N243	E121-Q138 PolarHBondContact O-NE2 3.08Å; H122-Q138 VanDerWaalsContact CE1-CG 3.45Å; H122-Q138 WeakPolarHBondContact CE1-CG 3.1Å; H122-Q138 PolarHBondContact ND1-OE1 3.44Å; R136-Q138 PolarHBondContact O-N 3.39Å; Q138-S206 PolarHBondContact O-OG 2.75Å; Q138-N243 PolarHBondContact OE1-ND2 2.84Å
139	A	96.9	Very high	95.4	Very high	36 Å²	36	32 Å²	32	30%	0.298	17%	0.174	S	C	.	.			trans	-84.7	144.5	-178	0	0	0	0	0	112.4	H122 V204	H122-A139 PolarHBondContact NE2-O 3.42Å; A139-V204 CarbonylContact C-O 3.47Å; A139-V204 WeakPolarHBondContact CA-O 3.3Å
140	F	97.3	Very high	95.7	Very high	3 Å²	3	31.6 Å²	31.6	1%	0.013	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	159.5	177.3	70.6	-85	0	0	0	111.7	L132 I134 M142 S203 V204 I238	L132-F140 HydrophobicContact CD2-CD2 3.62Å; L132-F140 HydrophobicContact CD2-CE2 3.71Å; L132-F140 HydrophobicContact CD2-CG 4.43Å; I134-F140 HydrophobicContact CD1-CD1 3.37Å; I134-F140 HydrophobicContact CD1-CE1 3.53Å; I134-F140 HydrophobicContact CD1-CG 3.94Å; I134-F140 HydrophobicContact CD1-CZ 4.22Å; I134-F140 HydrophobicContact CG2-CB 4.01Å; I134-F140 HydrophobicContact CG2-CG 4.34Å; F140-M142 HydrophobicContact CE2-SD 4.41Å; F140-S203 CarbonylContact O-C 3.56Å; F140-S203 WeakPolarHBondContact O-CA 3.32Å; F140-V204 HydrophobicContact CD1-CB 4.11Å; F140-V204 HydrophobicContact CD1-CG1 4.44Å; F140-V204 WeakPolarHBondContact CD1-O 3.46Å; F140-V204 HydrophobicContact CE1-CB 3.66Å; F140-V204 HydrophobicContact CE1-CG1 3.6Å; F140-V204 HydrophobicContact CE2-CB 4.18Å; F140-V204 HydrophobicContact CE2-CG2 4.37Å; F140-V204 HydrophobicContact CZ-CB 3.71Å; F140-V204 HydrophobicContact CZ-CG1 3.73Å; F140-V204 HydrophobicContact CZ-CG2 4.2Å; F140-V204 PolarHBondContact N-O 2.8Å; F140-V204 PolarHBondContact O-N 2.89Å; F140-I238 HydrophobicContact CE2-CD1 4.26Å; F140-I238 HydrophobicContact CZ-CD1 4.14Å
141	Q	97.3	Very high	96	Very high	51 Å²	51	28.2 Å²	28.2	24%	0.238	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	147.9	-177.6	-60.6	-179.6	24.8	0	0	112.6	L111 N118 K201 L202	L111-Q141 HydrophobicContact CD1-CB 3.83Å; N118-Q141 PolarHBondContact ND2-O 3.18Å; N118-Q141 PolarHBondContact OD1-N 3.4Å; Q141-K201 VanDerWaalsContact OE1-NZ 3.1Å; Q141-L202 VanDerWaalsContact CA-O 3.27Å; Q141-L202 WeakPolarHBondContact CA-O 3.47Å
142	M	96.9	Very high	95.8	Very high	1 Å²	1	28 Å²	28	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	155	171.3	60.8	-178.3	-66.5	0	0	110.9	V108 D109 L110 F140 I144 L159 K201 L202 V204 L217	V108-M142 HydrophobicContact CG1-CE 3.47Å; V108-M142 VanDerWaalsContact CG1-CE 3.47Å; D109-M142 CarbonylContact O-C 3.58Å; D109-M142 WeakPolarHBondContact O-CA 3.23Å; D109-M142 WeakPolarHBondContact O-CB 3.27Å; L110-M142 HydrophobicContact CD2-CB 4.46Å; L110-M142 HydrophobicContact CD2-CE 4.27Å; F140-M142 HydrophobicContact CE2-SD 4.41Å; M142-I144 HydrophobicContact CE-CD1 3.99Å; M142-I144 HydrophobicContact CE-CG1 3.92Å; M142-L159 HydrophobicContact SD-CD1 3.71Å; M142-K201 CarbonylContact O-C 3.57Å; M142-K201 WeakPolarHBondContact O-CA 3.34Å; M142-L202 HydrophobicContact CG-CB 3.89Å; M142-L202 HydrophobicContact CG-CD1 4.28Å; M142-L202 HydrophobicContact CG-CG 4.46Å; M142-L202 PolarHBondContact N-O 2.8Å; M142-L202 PolarHBondContact O-N 2.78Å; M142-L202 HydrophobicContact SD-CD1 4.28Å; M142-V204 HydrophobicContact CG-CG2 4.23Å; M142-V204 HydrophobicContact SD-CG2 3.95Å; M142-L217 HydrophobicContact CE-CD2 4.03Å
143	E	97	Very high	95.3	Very high	54 Å²	54	35.2 Å²	35.2	25%	0.252	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	136.9	173.8	-169.5	-179.6	86	0	0	110.7	V108 D109 K199	V108-E143 CarbonylContact C-O 3.6Å; V108-E143 WeakPolarHBondContact CA-O 3.45Å; D109-E143 PolarHBondContact N-O 3.01Å; D109-E143 PolarHBondContact O-N 2.89Å; E143-K199 HydrophobicContact CG-CB 4.27Å; E143-K199 HydrophobicContact CG-CG 4.5Å; E143-K199 WeakPolarHBondContact OE1-CD 3.48Å; E143-K199 WeakPolarHBondContact OE1-CE 3.43Å; E143-K199 IonicContact OE1-NZ 2.66Å; E143-K199 PolarHBondContact OE1-NZ 2.75Å
144	I	96.7	Very high	94.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	126.7	174.4	-54	179.1	0	0	0	108	V105 V108 M142 F146 M157 L159 K199 V200 L202 V219	V105-I144 HydrophobicContact CB-CG2 4.45Å; V105-I144 HydrophobicContact CG1-CG2 3.85Å; V105-I144 HydrophobicContact CG2-CG2 3.9Å; V108-I144 HydrophobicContact CG2-CG1 4.35Å; V108-I144 HydrophobicContact CG2-CG2 4.36Å; M142-I144 HydrophobicContact CE-CD1 3.99Å; M142-I144 HydrophobicContact CE-CG1 3.92Å; I144-F146 HydrophobicContact CB-CE2 4.17Å; I144-F146 HydrophobicContact CB-CZ 4.12Å; I144-F146 HydrophobicContact CG2-CD1 4.28Å; I144-F146 HydrophobicContact CG2-CD2 4.39Å; I144-F146 HydrophobicContact CG2-CE1 3.71Å; I144-F146 HydrophobicContact CG2-CE2 3.84Å; I144-F146 HydrophobicContact CG2-CZ 3.47Å; I144-F146 VanDerWaalsContact CG2-CZ 3.47Å; I144-M157 HydrophobicContact CD1-CE 4.2Å; I144-M157 HydrophobicContact CD1-SD 3.75Å; I144-L159 HydrophobicContact CD1-CD2 4.09Å; I144-K199 WeakPolarHBondContact O-CA 3.16Å; I144-V200 PolarHBondContact N-O 3.02Å; I144-V200 PolarHBondContact O-N 2.87Å; I144-L202 HydrophobicContact CD1-CD1 3.7Å; I144-L202 HydrophobicContact CG1-CD1 4.48Å; I144-V219 HydrophobicContact CD1-CG1 4.1Å; I144-V219 HydrophobicContact CD1-CG2 4.31Å
145	E	96.9	Very high	94.6	Very high	66 Å²	66	38.4 Å²	38.4	31%	0.308	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	128	173.8	-171.3	170.7	158.7	0	0	110.2	C106 S107 K199	C106-E145 WeakPolarHBondContact CB-O 3.29Å; C106-E145 PolarHBondContact N-O 2.8Å; S107-E145 PolarHBondContact N-O 3.06Å; S107-E145 PolarHBondContact O-N 3.42Å; S107-E145 WeakPolarHBondContact OG-CB 3.4Å; E145-K199 HydrophobicContact CB-CG 4.08Å; E145-K199 HydrophobicContact CG-CG 3.93Å; E145-K199 WeakPolarHBondContact OE2-CE 3.4Å; E145-K199 IonicContact OE2-NZ 3.15Å; E145-K199 PolarHBondContact OE2-NZ 2.87Å
146	F	95.8	Very high	94.3	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	166.7	-178.2	-62.6	-76.3	0	0	0	112.5	L103 S104 V105 C106 I144 R148 F150 M157 N198 V200 T221	L103-F146 HydrophobicContact CD1-CB 3.82Å; L103-F146 HydrophobicContact CD1-CD1 3.8Å; L103-F146 HydrophobicContact CD1-CG 3.86Å; L103-F146 HydrophobicContact CD2-CD1 4.19Å; L103-F146 HydrophobicContact CD2-CE1 4.15Å; L103-F146 HydrophobicContact CG-CD1 3.9Å; L103-F146 HydrophobicContact CG-CE1 4.32Å; L103-F146 HydrophobicContact CG-CG 4.46Å; S104-F146 WeakPolarHBondContact O-CA 3.28Å; V105-F146 HydrophobicContact CG2-CD1 4Å; V105-F146 HydrophobicContact CG2-CE1 3.65Å; C106-F146 VanDerWaalsContact SG-C 3.59Å; I144-F146 HydrophobicContact CB-CE2 4.17Å; I144-F146 HydrophobicContact CB-CZ 4.12Å; I144-F146 HydrophobicContact CG2-CD1 4.28Å; I144-F146 HydrophobicContact CG2-CD2 4.39Å; I144-F146 HydrophobicContact CG2-CE1 3.71Å; I144-F146 HydrophobicContact CG2-CE2 3.84Å; I144-F146 HydrophobicContact CG2-CZ 3.47Å; I144-F146 VanDerWaalsContact CG2-CZ 3.47Å; F146-R148 VanDerWaalsContact C-N 3.26Å; F146-R148 WeakPolarHBondContact CB-O 3.17Å; F146-R148 PolarHBondContact O-N 2.98Å; F146-F150 HydrophobicContact CD2-CB 4.3Å; F146-F150 HydrophobicContact CE2-CB 4.2Å; F146-M157 HydrophobicContact CE1-SD 4.35Å; F146-M157 HydrophobicContact CZ-SD 3.72Å; F146-N198 WeakPolarHBondContact CD2-O 3.23Å; F146-N198 PolarHBondContact N-O 2.84Å; F146-N198 WeakPolarHBondContact O-CB 3.32Å; F146-N198 PolarHBondContact O-ND2 2.81Å; F146-V200 HydrophobicContact CD2-CG2 4.12Å; F146-V200 HydrophobicContact CE2-CB 3.94Å; F146-V200 HydrophobicContact CE2-CG2 3.68Å; F146-T221 HydrophobicContact CE1-CG2 3.88Å
147	N	94.2	Very high	94.1	Very high	52 Å²	52	46 Å²	46	28%	0.278	25%	0.25	S	S	.	.	S	Bend	trans	-69	-21	172.4	63.8	-19.3	0	0	0	114	V101 K102 S104 C106 N198	V101-N147 WeakPolarHBondContact CG1-ND2 3.45Å; K102-N147 PolarHBondContact O-ND2 3.34Å; S104-N147 PolarHBondContact N-OD1 2.73Å; S104-N147 PolarHBondContact O-N 2.92Å; S104-N147 PolarHBondContact O-OD1 2.88Å; S104-N147 VanDerWaalsContact OG-CG 3.25Å; S104-N147 PolarHBondContact OG-ND2 2.72Å; S104-N147 VanDerWaalsContact OG-ND2 3.1Å; C106-N147 PolarHBondContact SG-N 2.92Å; C106-N147 VanDerWaalsContact SG-N 3.44Å; N147-N198 PolarHBondContact O-ND2 2.87Å; N147-N198 VanDerWaalsContact O-ND2 3.16Å
148	R	93.4	Very high	94	Very high	55 Å²	55	47.8 Å²	47.8	21%	0.208	25%	0.254	C	S	.	.	S	Bend	trans	-147.9	170.8	174.2	63.7	161.8	175.7	80.7	-6.7	110.5	V101 L103 F146 D155 N198 S223	V101-R148 PolarHBondContact O-NE 2.6Å; L103-R148 HydrophobicContact CD1-CG 3.97Å; F146-R148 VanDerWaalsContact C-N 3.26Å; F146-R148 WeakPolarHBondContact CB-O 3.17Å; F146-R148 PolarHBondContact O-N 2.98Å; R148-D155 IonicContact CZ-OD1 3.34Å; R148-D155 IonicContact CZ-OD2 3.32Å; R148-D155 IonicContact NH1-OD1 2.79Å; R148-D155 IonicContact NH1-OD2 3.47Å; R148-D155 PolarHBondContact NH1-OD2 2.98Å; R148-D155 IonicContact NH2-OD1 2.7Å; R148-D155 PolarHBondContact NH2-OD1 3.48Å; R148-D155 IonicContact NH2-OD2 2.7Å; R148-D155 PolarHBondContact NH2-OD2 3.47Å; R148-N198 WeakPolarHBondContact CA-ND2 3.42Å; R148-N198 PolarHBondContact N-ND2 2.9Å; R148-S223 PolarHBondContact NH2-OG 3.02Å
149	P	93.5	Very high	94	Very high	66 Å²	66	45.9 Å²	45.9	43%	0.429	25%	0.245	S	C	.	.			trans	-56.9	140.6	172.3	-25.6	36.6	0	0	0	112.4	C197 N198	P149-C197 WeakPolarHBondContact CA-O 3.44Å; P149-C197 WeakPolarHBondContact CB-O 3.49Å; P149-N198 VanDerWaalsContact CD-OD1 3.28Å; P149-N198 WeakPolarHBondContact CD-OD1 3.39Å
150	F	92.9	Very high	94.1	Very high	6 Å²	6	45.4 Å²	45.4	3%	0.026	24%	0.237	C	C	.	.			trans	-73.8	140.8	170.9	178.3	-109.3	0	0	0	110.5	L103 F146 P152 D155 M157 L179 Q195 V200	L103-F150 HydrophobicContact CD2-CD2 3.74Å; L103-F150 HydrophobicContact CD2-CE2 4.29Å; F146-F150 HydrophobicContact CD2-CB 4.3Å; F146-F150 HydrophobicContact CE2-CB 4.2Å; F150-P152 HydrophobicContact CD1-CG 4.26Å; F150-P152 HydrophobicContact CE1-CB 4.47Å; F150-P152 HydrophobicContact CE1-CG 3.87Å; F150-D155 HydrophobicContact CD2-CB 3.82Å; F150-D155 HydrophobicContact CE2-CB 3.6Å; F150-D155 HydrophobicContact CZ-CB 4.48Å; F150-M157 HydrophobicContact CE2-CB 4.26Å; F150-L179 HydrophobicContact CE1-CD2 3.76Å; F150-L179 HydrophobicContact CZ-CD2 3.61Å; F150-Q195 PolarHBondContact O-NE2 2.74Å; F150-V200 HydrophobicContact CB-CG2 3.65Å; F150-V200 HydrophobicContact CD1-CG2 4.28Å; F150-V200 HydrophobicContact CG-CG2 4.2Å
151	S	91	Very high	94.1	Very high	38 Å²	38	45.3 Å²	45.3	27%	0.266	24%	0.237	S	C	.	.			trans	-133	103.1	-178	169.5	0	0	0	0	110.2	D153 T154 D155	S151-D153 PolarHBondContact O-N 3.37Å; S151-D153 VanDerWaalsContact O-N 3.1Å; S151-T154 WeakPolarHBondContact CB-OG1 3.37Å; S151-T154 PolarHBondContact O-N 2.62Å; S151-T154 PolarHBondContact O-OG1 3.1Å; S151-T154 PolarHBondContact OG-OG1 2.98Å; S151-D155 PolarHBondContact N-OD2 3.11Å; S151-D155 WeakPolarHBondContact O-CB 3.38Å; S151-D155 PolarHBondContact O-N 2.71Å
152	P	87.6	Confident	94	Very high	94 Å²	94	45.9 Å²	45.9	61%	0.61	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-29.3	-176.2	-26.7	33.8	0	0	0	114.9	F150 T154	F150-P152 HydrophobicContact CD1-CG 4.26Å; F150-P152 HydrophobicContact CE1-CB 4.47Å; F150-P152 HydrophobicContact CE1-CG 3.87Å; P152-T154 VanDerWaalsContact C-N 3.29Å; P152-T154 PolarHBondContact O-N 2.83Å
153	D	87.3	Confident	94	Very high	153 Å²	153	46.1 Å²	46.1	82%	0.818	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-21.8	178.6	-62.7	-46	0	0	0	113.4	S151	S151-D153 PolarHBondContact O-N 3.37Å; S151-D153 VanDerWaalsContact O-N 3.1Å
154	T	89.9	Confident	93.7	Very high	64 Å²	64	45.2 Å²	45.2	39%	0.393	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.8	-13.3	-170.1	58.4	0	0	0	0	114.5	S151 P152 S223 V224	S151-T154 WeakPolarHBondContact CB-OG1 3.37Å; S151-T154 PolarHBondContact O-N 2.62Å; S151-T154 PolarHBondContact O-OG1 3.1Å; S151-T154 PolarHBondContact OG-OG1 2.98Å; P152-T154 VanDerWaalsContact C-N 3.29Å; P152-T154 PolarHBondContact O-N 2.83Å; T154-S223 CarbonylContact O-C 3.59Å; T154-S223 VanDerWaalsContact O-CA 3.3Å; T154-S223 WeakPolarHBondContact O-CA 3.15Å; T154-V224 WeakPolarHBondContact O-CG2 3.3Å; T154-V224 PolarHBondContact O-N 3.42Å
155	D	91.7	Very high	93.5	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.027	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	132.8	-176.6	-58.3	-43.5	0	0	0	110.8	L103 R148 F150 S151 S223	L103-D155 HydrophobicContact CD2-CB 3.9Å; R148-D155 IonicContact CZ-OD1 3.34Å; R148-D155 IonicContact CZ-OD2 3.32Å; R148-D155 IonicContact NH1-OD1 2.79Å; R148-D155 IonicContact NH1-OD2 3.47Å; R148-D155 PolarHBondContact NH1-OD2 2.98Å; R148-D155 IonicContact NH2-OD1 2.7Å; R148-D155 PolarHBondContact NH2-OD1 3.48Å; R148-D155 IonicContact NH2-OD2 2.7Å; R148-D155 PolarHBondContact NH2-OD2 3.47Å; F150-D155 HydrophobicContact CD2-CB 3.82Å; F150-D155 HydrophobicContact CE2-CB 3.6Å; F150-D155 HydrophobicContact CZ-CB 4.48Å; S151-D155 PolarHBondContact N-OD2 3.11Å; S151-D155 WeakPolarHBondContact O-CB 3.38Å; S151-D155 PolarHBondContact O-N 2.71Å; D155-S223 WeakPolarHBondContact OD1-CB 3.26Å; D155-S223 PolarHBondContact OD1-OG 3.31Å
156	K	91.8	Very high	93.3	Very high	145 Å²	145	54.4 Å²	54.4	63%	0.63	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	146.4	169.8	-64.1	-176.9	179.7	-179.1	0	109.8	T221 Q222	K156-T221 CarbonylContact O-C 3.57Å; K156-T221 VanDerWaalsContact O-CA 3.32Å; K156-T221 WeakPolarHBondContact O-CA 3.41Å; K156-Q222 PolarHBondContact N-O 2.95Å; K156-Q222 PolarHBondContact O-N 2.85Å
157	M	93.9	Very high	93.2	Very high	13 Å²	13	56.8 Å²	56.8	6%	0.064	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	143.5	172.7	-179.3	176.2	62	0	0	109.9	I144 F146 F150 L179 L202 V219 T220 T221	I144-M157 HydrophobicContact CD1-CE 4.2Å; I144-M157 HydrophobicContact CD1-SD 3.75Å; F146-M157 HydrophobicContact CE1-SD 4.35Å; F146-M157 HydrophobicContact CZ-SD 3.72Å; F150-M157 HydrophobicContact CE2-CB 4.26Å; M157-L179 HydrophobicContact CE-CD1 4.04Å; M157-L179 HydrophobicContact CE-CD2 4.29Å; M157-L202 HydrophobicContact CE-CD1 3.88Å; M157-L202 HydrophobicContact CE-CD2 4.06Å; M157-V219 HydrophobicContact CG-CG1 4.17Å; M157-V219 HydrophobicContact SD-CG1 3.88Å; M157-T220 VanDerWaalsContact CA-O 3.31Å; M157-T220 WeakPolarHBondContact CA-O 3.45Å; M157-T221 HydrophobicContact CB-CG2 4.22Å; M157-T221 HydrophobicContact CG-CG2 4.06Å; M157-T221 HydrophobicContact SD-CG2 4.39Å
158	H	95.6	Very high	93.3	Very high	57 Å²	57	58.2 Å²	58.2	26%	0.264	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	155.8	162.1	67.5	-101.3	0	0	0	109.8	E160 I176 I177 T220	H158-E160 VanDerWaalsContact CD2-CG 3.48Å; H158-E160 WeakPolarHBondContact CD2-CG 3.41Å; H158-E160 IonicContact CD2-OE1 2.78Å; H158-E160 IonicContact CE1-OE1 3.55Å; H158-E160 IonicContact NE2-OE1 3.19Å; H158-E160 PolarHBondContact NE2-OE1 2.98Å; H158-I176 HydrophobicContact CB-CG2 4.43Å; H158-I177 WeakPolarHBondContact CA-O 3.36Å; H158-I177 WeakPolarHBondContact CB-O 3.48Å; H158-T220 VanDerWaalsContact CE1-CG2 3.47Å; H158-T220 WeakPolarHBondContact CE1-CG2 3.3Å; H158-T220 PolarHBondContact N-O 2.84Å; H158-T220 WeakPolarHBondContact NE2-CB 3.35Å; H158-T220 PolarHBondContact O-N 3.36Å
159	L	97.4	Very high	93.4	Very high	3 Å²	3	59.7 Å²	59.7	2%	0.016	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	155.4	169.5	-40.7	174.4	0	0	0	108.8	M142 I144 I177 A190 L202 V204 L217 T218 V219	M142-L159 HydrophobicContact SD-CD1 3.71Å; I144-L159 HydrophobicContact CD1-CD2 4.09Å; L159-I177 HydrophobicContact CB-CB 4.04Å; L159-I177 HydrophobicContact CB-CD1 4.24Å; L159-I177 HydrophobicContact CB-CG1 4.42Å; L159-I177 HydrophobicContact CD1-CD1 4.45Å; L159-I177 PolarHBondContact N-O 2.82Å; L159-I177 PolarHBondContact O-N 3.44Å; L159-A190 HydrophobicContact CD1-CB 4.37Å; L159-L202 HydrophobicContact CD1-CD1 4.18Å; L159-L202 HydrophobicContact CD2-CD1 4.17Å; L159-V204 HydrophobicContact CD1-CG1 4.46Å; L159-V204 HydrophobicContact CD1-CG2 3.78Å; L159-L217 HydrophobicContact CB-CD1 4.17Å; L159-T218 CarbonylContact C-O 3.58Å; L159-T218 WeakPolarHBondContact CA-O 3.45Å; L159-V219 HydrophobicContact CD2-CG1 4.18Å; L159-V219 HydrophobicContact CD2-CG2 4Å
160	E	97.2	Very high	93.4	Very high	26 Å²	26	61.5 Å²	61.5	12%	0.121	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.9	169.1	-47.8	174.9	-151.2	0	0	109.8	H158 K162 H174 V175 I176 T218 T220	H158-E160 VanDerWaalsContact CD2-CG 3.48Å; H158-E160 WeakPolarHBondContact CD2-CG 3.41Å; H158-E160 IonicContact CD2-OE1 2.78Å; H158-E160 IonicContact CE1-OE1 3.55Å; H158-E160 IonicContact NE2-OE1 3.19Å; H158-E160 PolarHBondContact NE2-OE1 2.98Å; E160-K162 WeakPolarHBondContact OE2-CE 3.35Å; E160-K162 IonicContact OE2-NZ 3.4Å; E160-K162 PolarHBondContact OE2-NZ 3.42Å; E160-H174 IonicContact OE2-CD2 3.74Å; E160-H174 IonicContact OE2-CE1 3.79Å; E160-H174 IonicContact OE2-NE2 3.7Å; E160-H174 PolarHBondContact OE2-NE2 2.83Å; E160-V175 CarbonylContact C-O 3.57Å; E160-V175 WeakPolarHBondContact CA-O 3.3Å; E160-I176 HydrophobicContact CG-CG1 4.37Å; E160-T218 PolarHBondContact N-O 3.23Å; E160-T218 PolarHBondContact O-N 3.23Å; E160-T220 PolarHBondContact OE1-OG1 2.82Å
161	L	97.5	Very high	93.4	Very high	2 Å²	2	67 Å²	67	1%	0.01	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130	173.2	-58	178.5	0	0	0	109.1	H174 V175 I177 W188 F215 G216 L217 I238 I240	L161-H174 CarbonylContact O-C 3.5Å; L161-H174 WeakPolarHBondContact O-CA 3.46Å; L161-V175 HydrophobicContact CB-CB 4.2Å; L161-V175 PolarHBondContact N-O 3.46Å; L161-V175 PolarHBondContact O-N 2.71Å; L161-I177 HydrophobicContact CD1-CD1 3.86Å; L161-I177 HydrophobicContact CG-CD1 3.96Å; L161-W188 HydrophobicContact CD1-CE3 4.45Å; L161-W188 HydrophobicContact CD1-CH2 3.55Å; L161-W188 HydrophobicContact CD1-CZ2 4.26Å; L161-W188 HydrophobicContact CD1-CZ3 3.66Å; L161-F215 HydrophobicContact CB-CB 4.19Å; L161-F215 HydrophobicContact CB-CD1 3.69Å; L161-F215 HydrophobicContact CB-CE1 4.46Å; L161-F215 HydrophobicContact CB-CG 4.26Å; L161-G216 WeakPolarHBondContact CA-O 3.49Å; L161-L217 HydrophobicContact CD2-CB 4.17Å; L161-L217 HydrophobicContact CD2-CD1 3.71Å; L161-I238 HydrophobicContact CD2-CD1 4.03Å; L161-I240 HydrophobicContact CD1-CD1 4.39Å
162	K	96.9	Very high	93.5	Very high	62 Å²	62	66.8 Å²	66.8	27%	0.27	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	126.2	-175.3	-71.7	155.8	-169.9	153.6	0	110.7	E160 P167 T173 H174 F215 G216 T218	E160-K162 WeakPolarHBondContact OE2-CE 3.35Å; E160-K162 IonicContact OE2-NZ 3.4Å; E160-K162 PolarHBondContact OE2-NZ 3.42Å; K162-P167 HydrophobicContact CB-CB 4.12Å; K162-P167 HydrophobicContact CB-CG 3.93Å; K162-P167 HydrophobicContact CG-CB 4.08Å; K162-P167 HydrophobicContact CG-CG 4.3Å; K162-T173 WeakPolarHBondContact CA-O 3.32Å; K162-H174 VanDerWaalsContact CE-NE2 3.25Å; K162-H174 WeakPolarHBondContact CE-NE2 3.3Å; K162-H174 HydrophobicContact CG-CB 4.49Å; K162-F215 WeakPolarHBondContact O-CA 3.5Å; K162-G216 PolarHBondContact N-O 3.29Å; K162-G216 PolarHBondContact O-N 3.15Å; K162-T218 PolarHBondContact NZ-OG1 3.02Å; K162-T218 VanDerWaalsContact NZ-OG1 3.16Å
163	T	95.4	Very high	93.9	Very high	6 Å²	6	62.6 Å²	62.6	4%	0.037	35%	0.354	C	S	.	.			trans	-128.8	147.2	176.4	-168.6	0	0	0	0	112.2	T173 V211 L214 F215	T163-T173 HydrophobicContact CG2-CG2 4.03Å; T163-T173 PolarHBondContact N-O 3.28Å; T163-V211 HydrophobicContact CG2-CG1 4.05Å; T163-L214 WeakPolarHBondContact CB-O 3.46Å; T163-L214 PolarHBondContact OG1-O 3.47Å; T163-F215 HydrophobicContact CG2-CD1 3.95Å; T163-F215 HydrophobicContact CG2-CE1 3.4Å; T163-F215 HydrophobicContact CG2-CE2 4.28Å; T163-F215 HydrophobicContact CG2-CZ 3.59Å
164	G	92.1	Very high	94.4	Very high	35 Å²	35	57 Å²	57	36%	0.361	32%	0.323	S	S	.	.	S	Bend	trans	76	174.3	-179.3	0	0	0	0	0	115.2	L166	G164-L166 VanDerWaalsContact C-N 3.33Å; G164-L166 PolarHBondContact O-N 2.93Å
165	P	91.1	Very high	94.8	Very high	119 Å²	119	54.6 Å²	54.6	77%	0.773	31%	0.308	S	S	*	.	S	Bend	trans	-74.7	-19.2	-172.3	29.9	-36.3	0	0	0	114.1
166	L	92.4	Very high	95	Very high	141 Å²	141	58.1 Å²	58.1	74%	0.738	33%	0.326	S	S	*	.	S	Bend	trans	-136.9	81.7	177.2	-66.4	174	0	0	0	109.8	G164	G164-L166 VanDerWaalsContact C-N 3.33Å; G164-L166 PolarHBondContact O-N 2.93Å
167	P	94.6	Very high	95.3	Very high	50 Å²	50	51.3 Å²	51.3	33%	0.325	30%	0.296	S	S	.	.			trans	-63	130.6	175.8	-24	36.4	0	0	0	111.9	K162 H174	K162-P167 HydrophobicContact CB-CB 4.12Å; K162-P167 HydrophobicContact CB-CG 3.93Å; K162-P167 HydrophobicContact CG-CB 4.08Å; K162-P167 HydrophobicContact CG-CG 4.3Å; P167-H174 HydrophobicContact CB-CB 3.74Å
168	I	95.6	Very high	95.4	Very high	82 Å²	82	53.4 Å²	53.4	42%	0.421	31%	0.311	S	S	.	.			trans	-140.6	130.6	-178.1	-63.3	173.7	0	0	0	110	S170 K171 G172 T173 H174	I168-S170 WeakPolarHBondContact CG2-OG 3.21Å; I168-K171 HydrophobicContact CB-CB 4.11Å; I168-K171 HydrophobicContact CB-CG 4.18Å; I168-K171 HydrophobicContact CG2-CB 4.26Å; I168-K171 HydrophobicContact CG2-CG 4Å; I168-K171 PolarHBondContact O-N 3.18Å; I168-K171 VanDerWaalsContact O-N 3.14Å; I168-G172 PolarHBondContact O-N 3.39Å; I168-T173 PolarHBondContact N-OG1 3.26Å; I168-T173 PolarHBondContact O-N 3.33Å; I168-T173 PolarHBondContact O-OG1 3.48Å; I168-H174 PolarHBondContact O-N 2.88Å
169	V	95.1	Very high	95.4	Very high	86 Å²	86	53 Å²	53	52%	0.521	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-62.4	-47.6	-176.9	-176.2	0	0	0	0	112.4	K171 G172 H174 I176	V169-K171 PolarHBondContact O-N 2.7Å; V169-G172 PolarHBondContact O-N 3.06Å; V169-G172 VanDerWaalsContact O-N 3.11Å; V169-H174 VanDerWaalsContact CA-O 3.3Å; V169-H174 WeakPolarHBondContact CA-O 3.33Å; V169-H174 HydrophobicContact CG2-CB 4.09Å; V169-I176 HydrophobicContact CG2-CD1 4.31Å
170	S	93.6	Very high	95.3	Very high	105 Å²	105	54.9 Å²	54.9	73%	0.734	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-69.4	9.7	176.7	59.7	0	0	0	0	114.8	I168	I168-S170 WeakPolarHBondContact CG2-OG 3.21Å
171	K	92.7	Very high	95	Very high	121 Å²	121	61.5 Å²	61.5	53%	0.526	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-127.7	4.2	176.5	-67.3	-62.6	-178.8	-173.7	0	113.4	I168 V169 T173 S308	I168-K171 HydrophobicContact CB-CB 4.11Å; I168-K171 HydrophobicContact CB-CG 4.18Å; I168-K171 HydrophobicContact CG2-CB 4.26Å; I168-K171 HydrophobicContact CG2-CG 4Å; I168-K171 PolarHBondContact O-N 3.18Å; I168-K171 VanDerWaalsContact O-N 3.14Å; V169-K171 PolarHBondContact O-N 2.7Å; K171-T173 PolarHBondContact O-N 2.68Å; K171-S308 WeakPolarHBondContact O-CB 3.2Å
172	G	94.4	Very high	94.6	Very high	33 Å²	33	68 Å²	68	34%	0.34	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	9.2	-178.7	0	0	0	0	0	114.6	I168 V169	I168-G172 PolarHBondContact O-N 3.39Å; V169-G172 PolarHBondContact O-N 3.06Å; V169-G172 VanDerWaalsContact O-N 3.11Å
173	T	96.3	Very high	94.3	Very high	6 Å²	6	67.6 Å²	67.6	4%	0.037	38%	0.383	C	S	.	.	S	Bend	trans	-99.3	-15.2	-178.1	55.6	0	0	0	0	113.2	K162 T163 I168 K171 P307	K162-T173 WeakPolarHBondContact CA-O 3.32Å; T163-T173 HydrophobicContact CG2-CG2 4.03Å; T163-T173 PolarHBondContact N-O 3.28Å; I168-T173 PolarHBondContact N-OG1 3.26Å; I168-T173 PolarHBondContact O-N 3.33Å; I168-T173 PolarHBondContact O-OG1 3.48Å; K171-T173 PolarHBondContact O-N 2.68Å; T173-P307 HydrophobicContact CG2-CB 3.95Å
174	H	97.6	Very high	94	Very high	37 Å²	37	72.1 Å²	72.1	17%	0.171	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	101.2	159.8	179.3	-169.7	0	0	0	107.9	E160 L161 K162 P167 I168 V169	E160-H174 IonicContact OE2-CD2 3.74Å; E160-H174 IonicContact OE2-CE1 3.79Å; E160-H174 IonicContact OE2-NE2 3.7Å; E160-H174 PolarHBondContact OE2-NE2 2.83Å; L161-H174 CarbonylContact O-C 3.5Å; L161-H174 WeakPolarHBondContact O-CA 3.46Å; K162-H174 VanDerWaalsContact CE-NE2 3.25Å; K162-H174 WeakPolarHBondContact CE-NE2 3.3Å; K162-H174 HydrophobicContact CG-CB 4.49Å; P167-H174 HydrophobicContact CB-CB 3.74Å; I168-H174 PolarHBondContact O-N 2.88Å; V169-H174 VanDerWaalsContact CA-O 3.3Å; V169-H174 WeakPolarHBondContact CA-O 3.33Å; V169-H174 HydrophobicContact CG2-CB 4.09Å
175	V	97.3	Very high	93.6	Very high	12 Å²	12	77.4 Å²	77.4	7%	0.073	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	139.9	174.7	-179.3	0	0	0	0	108.6	E160 L161 I177 W188	E160-V175 CarbonylContact C-O 3.57Å; E160-V175 WeakPolarHBondContact CA-O 3.3Å; L161-V175 HydrophobicContact CB-CB 4.2Å; L161-V175 PolarHBondContact N-O 3.46Å; L161-V175 PolarHBondContact O-N 2.71Å; V175-I177 HydrophobicContact CG1-CD1 4.37Å; V175-I177 HydrophobicContact CG1-CG1 3.7Å; V175-W188 HydrophobicContact CG1-CB 3.71Å; V175-W188 HydrophobicContact CG1-CD2 3.58Å; V175-W188 HydrophobicContact CG1-CE3 4.21Å; V175-W188 HydrophobicContact CG1-CG 3.33Å
176	I	96.9	Very high	93.4	Very high	80 Å²	80	75.5 Å²	75.5	41%	0.41	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	122.4	168.6	-57.9	175	0	0	0	106.6	H158 E160 V169	H158-I176 HydrophobicContact CB-CG2 4.43Å; E160-I176 HydrophobicContact CG-CG1 4.37Å; V169-I176 HydrophobicContact CG2-CD1 4.31Å
177	I	97.8	Very high	93.4	Very high	1 Å²	1	73.6 Å²	73.6	1%	0.005	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	102	-172.8	-49.5	179.6	0	0	0	108.1	H158 L159 L161 V175 W188 E189 A190 V204	H158-I177 WeakPolarHBondContact CA-O 3.36Å; H158-I177 WeakPolarHBondContact CB-O 3.48Å; L159-I177 HydrophobicContact CB-CB 4.04Å; L159-I177 HydrophobicContact CB-CD1 4.24Å; L159-I177 HydrophobicContact CB-CG1 4.42Å; L159-I177 HydrophobicContact CD1-CD1 4.45Å; L159-I177 PolarHBondContact N-O 2.82Å; L159-I177 PolarHBondContact O-N 3.44Å; L161-I177 HydrophobicContact CD1-CD1 3.86Å; L161-I177 HydrophobicContact CG-CD1 3.96Å; V175-I177 HydrophobicContact CG1-CD1 4.37Å; V175-I177 HydrophobicContact CG1-CG1 3.7Å; I177-W188 HydrophobicContact CD1-CD2 4.39Å; I177-W188 HydrophobicContact CD1-CE3 3.48Å; I177-W188 VanDerWaalsContact CD1-CE3 3.48Å; I177-W188 HydrophobicContact CD1-CZ3 3.75Å; I177-W188 HydrophobicContact CG1-CB 4.35Å; I177-W188 HydrophobicContact CG1-CE3 3.96Å; I177-E189 VanDerWaalsContact CG2-C 3.46Å; I177-A190 HydrophobicContact CG2-CB 3.76Å; I177-V204 HydrophobicContact CD1-CG1 3.9Å; I177-V204 HydrophobicContact CG2-CG1 4.2Å
178	P	96.4	Very high	93.5	Very high	57 Å²	57	73.1 Å²	73.1	37%	0.37	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	154.5	177.3	31.5	-35.4	0	0	0	111.6	V180 W188 E189 A190	P178-V180 HydrophobicContact CG-CG1 4.47Å; P178-W188 WeakPolarHBondContact CD-O 3.34Å; P178-E189 HydrophobicContact CG-CG 4.45Å; P178-A190 PolarHBondContact O-N 3.16Å
179	L	95.6	Very high	93.6	Very high	50 Å²	50	70 Å²	70	26%	0.262	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-83.3	130	168.8	-163.9	73.8	0	0	0	110.3	F150 M157 A190 V192 L202	F150-L179 HydrophobicContact CE1-CD2 3.76Å; F150-L179 HydrophobicContact CZ-CD2 3.61Å; M157-L179 HydrophobicContact CE-CD1 4.04Å; M157-L179 HydrophobicContact CE-CD2 4.29Å; L179-A190 CarbonylContact C-O 3.59Å; L179-A190 VanDerWaalsContact CA-O 3.29Å; L179-A190 WeakPolarHBondContact CA-O 3.07Å; L179-A190 HydrophobicContact CD1-CB 4.29Å; L179-V192 HydrophobicContact CD1-CG2 4.03Å; L179-V192 HydrophobicContact CD2-CG2 4.09Å; L179-V192 HydrophobicContact CG-CG2 4.45Å; L179-L202 HydrophobicContact CD1-CD2 3.63Å
180	V	94.9	Very high	93.7	Very high	41 Å²	41	66 Å²	66	25%	0.248	34%	0.339	C	S	.	.			trans	-134.8	156.3	-174.6	-63.5	0	0	0	0	112.4	P178 H182 L183 E189 A190	P178-V180 HydrophobicContact CG-CG1 4.47Å; V180-H182 WeakPolarHBondContact CG2-O 3.35Å; V180-L183 HydrophobicContact CG2-CD2 3.98Å; V180-E189 HydrophobicContact CG1-CG 4.38Å; V180-E189 HydrophobicContact CG2-CB 3.88Å; V180-E189 HydrophobicContact CG2-CG 4.39Å; V180-A190 WeakPolarHBondContact CG2-O 3.49Å; V180-A190 PolarHBondContact N-O 2.9Å
181	E	90.4	Very high	93.8	Very high	166 Å²	166	64 Å²	64	78%	0.776	32%	0.317	S	S	*	.	S	Bend	trans	-74.1	-32	177	-63.8	-174.6	165	0	0	112.8	K191	E181-K191 VanDerWaalsContact O-CD 3.31Å; E181-K191 WeakPolarHBondContact O-CD 3.41Å; E181-K191 WeakPolarHBondContact O-CE 3.34Å; E181-K191 PolarHBondContact O-NZ 3.49Å
182	H	90.4	Very high	94	Very high	138 Å²	138	60.3 Å²	60.3	64%	0.639	30%	0.304	S	S	*	.	S	Bend	trans	-137.7	136.6	-179.8	-69.7	-97	0	0	0	107.7	V180	V180-H182 WeakPolarHBondContact CG2-O 3.35Å
183	L	89.9	Confident	94.1	Very high	53 Å²	53	62 Å²	62	28%	0.277	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-81.2	134.8	173.1	-61.3	170.1	0	0	0	108.3	V180 E189 K191 N205	V180-L183 HydrophobicContact CG2-CD2 3.98Å; L183-E189 HydrophobicContact CD2-CB 3.78Å; L183-E189 WeakPolarHBondContact CD2-O 3.4Å; L183-K191 HydrophobicContact CD1-CB 4.23Å; L183-K191 HydrophobicContact CD2-CB 3.78Å; L183-K191 HydrophobicContact CG-CB 3.77Å; L183-K191 HydrophobicContact CG-CD 4.44Å; L183-N205 HydrophobicContact CD1-CB 4.35Å; L183-N205 HydrophobicContact CD2-CB 4.23Å
184	E	88.7	Confident	94	Very high	102 Å²	102	66.7 Å²	66.7	48%	0.477	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-95.7	149.6	162.6	-68.8	-175.1	-113.6	0	0	110.6	R187 E189 N205	E184-R187 IonicContact OE1-CZ 2.73Å; E184-R187 VanDerWaalsContact OE1-CZ 3.32Å; E184-R187 IonicContact OE1-NH1 2.73Å; E184-R187 PolarHBondContact OE1-NH1 3.48Å; E184-R187 IonicContact OE1-NH2 2.8Å; E184-R187 PolarHBondContact OE1-NH2 2.81Å; E184-R187 IonicContact OE2-CZ 3.21Å; E184-R187 VanDerWaalsContact OE2-CZ 3.27Å; E184-R187 IonicContact OE2-NH1 3.72Å; E184-R187 PolarHBondContact OE2-NH1 3.47Å; E184-R187 IonicContact OE2-NH2 3.19Å; E184-R187 PolarHBondContact OE2-NH2 2.96Å; E184-E189 PolarHBondContact N-OE2 2.97Å; E184-N205 PolarHBondContact O-ND2 3.05Å
185	D	83.9	Confident	93.8	Very high	145 Å²	145	68.8 Å²	68.8	78%	0.775	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	159.5	177.1	-55.1	-50	0	0	0	111.5	R187	D185-R187 PolarHBondContact O-N 2.97Å
186	E	87.5	Confident	93.5	Very high	79 Å²	79	72.7 Å²	72.7	37%	0.369	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	32.7	-174.6	-79.1	-60.3	92.3	0	0	115.1	P207 A208 N209	E186-P207 WeakPolarHBondContact OE1-CA 3.11Å; E186-A208 VanDerWaalsContact OE1-CB 3.3Å; E186-A208 WeakPolarHBondContact OE1-CB 3.46Å; E186-A208 PolarHBondContact OE1-N 2.7Å; E186-N209 PolarHBondContact OE2-ND2 2.79Å; E186-N209 VanDerWaalsContact OE2-ND2 3.11Å
187	R	92.3	Very high	93.3	Very high	102 Å²	102	73.6 Å²	73.6	39%	0.385	38%	0.376	S	S	.	.	S	Bend	trans	-136	154.4	177.3	-67	-169.5	-168.9	156.6	17.1	115.3	E184 D185 E189 N205 S206	E184-R187 IonicContact OE1-CZ 2.73Å; E184-R187 VanDerWaalsContact OE1-CZ 3.32Å; E184-R187 IonicContact OE1-NH1 2.73Å; E184-R187 PolarHBondContact OE1-NH1 3.48Å; E184-R187 IonicContact OE1-NH2 2.8Å; E184-R187 PolarHBondContact OE1-NH2 2.81Å; E184-R187 IonicContact OE2-CZ 3.21Å; E184-R187 VanDerWaalsContact OE2-CZ 3.27Å; E184-R187 IonicContact OE2-NH1 3.72Å; E184-R187 PolarHBondContact OE2-NH1 3.47Å; E184-R187 IonicContact OE2-NH2 3.19Å; E184-R187 PolarHBondContact OE2-NH2 2.96Å; D185-R187 PolarHBondContact O-N 2.97Å; R187-E189 HydrophobicContact CB-CG 3.99Å; R187-E189 WeakPolarHBondContact CD-OE1 3.48Å; R187-E189 IonicContact CZ-OE1 3.6Å; R187-E189 IonicContact NE-OE1 3.83Å; R187-E189 IonicContact NH1-OE1 2.73Å; R187-E189 PolarHBondContact NH1-OE1 3.19Å; R187-E189 PolarHBondContact O-N 3.08Å; R187-N205 CarbonylContact O-C 3.57Å; R187-N205 WeakPolarHBondContact O-CB 3.26Å; R187-S206 PolarHBondContact O-N 3.42Å
188	W	96.7	Very high	93.2	Very high	39 Å²	39	76 Å²	76	15%	0.148	39%	0.389	C	S	.	.			trans	-86.1	91.5	166.8	-84.7	118.1	0	0	0	109.5	L161 V175 I177 P178 V204 S206 P207 A210 I240	L161-W188 HydrophobicContact CD1-CE3 4.45Å; L161-W188 HydrophobicContact CD1-CH2 3.55Å; L161-W188 HydrophobicContact CD1-CZ2 4.26Å; L161-W188 HydrophobicContact CD1-CZ3 3.66Å; V175-W188 HydrophobicContact CG1-CB 3.71Å; V175-W188 HydrophobicContact CG1-CD2 3.58Å; V175-W188 HydrophobicContact CG1-CE3 4.21Å; V175-W188 HydrophobicContact CG1-CG 3.33Å; I177-W188 HydrophobicContact CD1-CD2 4.39Å; I177-W188 HydrophobicContact CD1-CE3 3.48Å; I177-W188 VanDerWaalsContact CD1-CE3 3.48Å; I177-W188 HydrophobicContact CD1-CZ3 3.75Å; I177-W188 HydrophobicContact CG1-CB 4.35Å; I177-W188 HydrophobicContact CG1-CE3 3.96Å; P178-W188 WeakPolarHBondContact CD-O 3.34Å; W188-V204 HydrophobicContact CZ3-CG1 4.34Å; W188-S206 VanDerWaalsContact CH2-CB 3.41Å; W188-P207 HydrophobicContact CG-CG 4.43Å; W188-P207 VanDerWaalsContact NE1-CD 3.35Å; W188-A210 HydrophobicContact CZ2-CB 4.07Å; W188-I240 HydrophobicContact CH2-CD1 3.61Å; W188-I240 HydrophobicContact CZ2-CD1 3.84Å
189	E	97.3	Very high	93.2	Very high	17 Å²	17	76.4 Å²	76.4	8%	0.079	39%	0.385	C	S	.	.			trans	-137.9	150.2	-177.9	-73.8	176.5	178.9	0	0	110.4	I177 P178 V180 L183 E184 R187 N205	I177-E189 VanDerWaalsContact CG2-C 3.46Å; P178-E189 HydrophobicContact CG-CG 4.45Å; V180-E189 HydrophobicContact CG1-CG 4.38Å; V180-E189 HydrophobicContact CG2-CB 3.88Å; V180-E189 HydrophobicContact CG2-CG 4.39Å; L183-E189 HydrophobicContact CD2-CB 3.78Å; L183-E189 WeakPolarHBondContact CD2-O 3.4Å; E184-E189 PolarHBondContact N-OE2 2.97Å; R187-E189 HydrophobicContact CB-CG 3.99Å; R187-E189 WeakPolarHBondContact CD-OE1 3.48Å; R187-E189 IonicContact CZ-OE1 3.6Å; R187-E189 IonicContact NE-OE1 3.83Å; R187-E189 IonicContact NH1-OE1 2.73Å; R187-E189 PolarHBondContact NH1-OE1 3.19Å; R187-E189 PolarHBondContact O-N 3.08Å; E189-N205 PolarHBondContact O-N 3.06Å
190	A	97.4	Very high	93.2	Very high	1 Å²	1	74 Å²	74	1%	0.008	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	140	177.7	0	0	0	0	0	111.2	L159 I177 P178 L179 V180 S203 V204	L159-A190 HydrophobicContact CD1-CB 4.37Å; I177-A190 HydrophobicContact CG2-CB 3.76Å; P178-A190 PolarHBondContact O-N 3.16Å; L179-A190 CarbonylContact C-O 3.59Å; L179-A190 VanDerWaalsContact CA-O 3.29Å; L179-A190 WeakPolarHBondContact CA-O 3.07Å; L179-A190 HydrophobicContact CD1-CB 4.29Å; V180-A190 WeakPolarHBondContact CG2-O 3.49Å; V180-A190 PolarHBondContact N-O 2.9Å; A190-S203 CarbonylContact C-O 3.6Å; A190-S203 WeakPolarHBondContact CA-O 3.46Å; A190-V204 HydrophobicContact CB-CG2 4.09Å
191	K	96.5	Very high	93.3	Very high	64 Å²	64	74 Å²	74	28%	0.278	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	135.4	-179.5	168.3	168	179.1	155.3	0	111.2	E181 L183 T193 L202 S203	E181-K191 VanDerWaalsContact O-CD 3.31Å; E181-K191 WeakPolarHBondContact O-CD 3.41Å; E181-K191 WeakPolarHBondContact O-CE 3.34Å; E181-K191 PolarHBondContact O-NZ 3.49Å; L183-K191 HydrophobicContact CD1-CB 4.23Å; L183-K191 HydrophobicContact CD2-CB 3.78Å; L183-K191 HydrophobicContact CG-CB 3.77Å; L183-K191 HydrophobicContact CG-CD 4.44Å; K191-T193 PolarHBondContact O-N 3.48Å; K191-L202 CarbonylContact O-C 3.43Å; K191-L202 VanDerWaalsContact O-CA 3.29Å; K191-L202 WeakPolarHBondContact O-CA 3.48Å; K191-S203 PolarHBondContact N-O 3.38Å; K191-S203 PolarHBondContact O-N 2.78Å
192	V	96.3	Very high	93.7	Very high	43 Å²	43	66 Å²	66	26%	0.261	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	124.2	166.9	-178	0	0	0	0	109.4	L179 Q195 V200 L202	L179-V192 HydrophobicContact CD1-CG2 4.03Å; L179-V192 HydrophobicContact CD2-CG2 4.09Å; L179-V192 HydrophobicContact CG-CG2 4.45Å; V192-Q195 HydrophobicContact CG1-CB 4.36Å; V192-V200 HydrophobicContact CB-CG1 4.41Å; V192-V200 HydrophobicContact CG1-CG1 3.94Å; V192-V200 HydrophobicContact CG2-CG1 3.79Å; V192-L202 HydrophobicContact CG2-CD2 4.03Å
193	T	95.3	Very high	94	Very high	69 Å²	69	60.4 Å²	60.4	42%	0.423	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-42.1	175.5	50	0	0	0	0	111.5	K191 K201	K191-T193 PolarHBondContact O-N 3.48Å; T193-K201 PolarHBondContact N-O 3.44Å; T193-K201 PolarHBondContact OG1-O 3.05Å; T193-K201 VanDerWaalsContact OG1-O 3.06Å
194	E	94.7	Very high	94.4	Very high	105 Å²	105	57.9 Å²	57.9	49%	0.491	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	143.9	178.9	-60.6	163.3	-133.9	0	0	109.2	K201	E194-K201 HydrophobicContact CB-CB 3.95Å; E194-K201 HydrophobicContact CB-CD 4.16Å; E194-K201 VanDerWaalsContact CD-CD 3.49Å; E194-K201 HydrophobicContact CG-CD 4.15Å; E194-K201 PolarHBondContact O-N 2.76Å; E194-K201 VanDerWaalsContact OE1-CD 3.3Å; E194-K201 WeakPolarHBondContact OE1-CD 3.48Å; E194-K201 IonicContact OE1-NZ 2.68Å; E194-K201 PolarHBondContact OE1-NZ 3.41Å; E194-K201 IonicContact OE2-NZ 2.68Å
195	Q	93.4	Very high	94.7	Very high	81 Å²	81	53.8 Å²	53.8	38%	0.379	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	122.2	172	176.9	171.3	-18.7	0	0	109.7	F150 V192 K199 V200	F150-Q195 PolarHBondContact O-NE2 2.74Å; V192-Q195 HydrophobicContact CG1-CB 4.36Å; Q195-K199 WeakPolarHBondContact CA-O 3.17Å; Q195-V200 HydrophobicContact CG-CG2 4.05Å
196	T	92.3	Very high	95.3	Very high	93 Å²	93	47 Å²	47	57%	0.571	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-131	105.2	-177.4	-60.5	0	0	0	0	109.7	N198 K199	T196-N198 PolarHBondContact O-N 2.91Å; T196-K199 PolarHBondContact N-O 2.9Å; T196-K199 PolarHBondContact O-N 3.26Å
197	C	92.1	Very high	95.8	Very high	100 Å²	100	43.6 Å²	43.6	68%	0.676	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	-106.7	-175.2	-59.6	0	0	0	0	112.1	P149	P149-C197 WeakPolarHBondContact CA-O 3.44Å; P149-C197 WeakPolarHBondContact CB-O 3.49Å
198	N	94.5	Very high	96	Very high	50 Å²	50	38.8 Å²	38.8	27%	0.267	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-8.4	-179.6	-75.6	28.9	0	0	0	114	F146 N147 R148 P149 T196	F146-N198 WeakPolarHBondContact CD2-O 3.23Å; F146-N198 PolarHBondContact N-O 2.84Å; F146-N198 WeakPolarHBondContact O-CB 3.32Å; F146-N198 PolarHBondContact O-ND2 2.81Å; N147-N198 PolarHBondContact O-ND2 2.87Å; N147-N198 VanDerWaalsContact O-ND2 3.16Å; R148-N198 WeakPolarHBondContact CA-ND2 3.42Å; R148-N198 PolarHBondContact N-ND2 2.9Å; P149-N198 VanDerWaalsContact CD-OD1 3.28Å; P149-N198 WeakPolarHBondContact CD-OD1 3.39Å; T196-N198 PolarHBondContact O-N 2.91Å
199	K	96.4	Very high	95.9	Very high	67 Å²	67	41.9 Å²	41.9	29%	0.291	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	134	-178.5	-71.6	171.9	171.1	-64.6	0	110.6	E143 I144 E145 Q195 T196	E143-K199 HydrophobicContact CG-CB 4.27Å; E143-K199 HydrophobicContact CG-CG 4.5Å; E143-K199 WeakPolarHBondContact OE1-CD 3.48Å; E143-K199 WeakPolarHBondContact OE1-CE 3.43Å; E143-K199 IonicContact OE1-NZ 2.66Å; E143-K199 PolarHBondContact OE1-NZ 2.75Å; I144-K199 WeakPolarHBondContact O-CA 3.16Å; E145-K199 HydrophobicContact CB-CG 4.08Å; E145-K199 HydrophobicContact CG-CG 3.93Å; E145-K199 WeakPolarHBondContact OE2-CE 3.4Å; E145-K199 IonicContact OE2-NZ 3.15Å; E145-K199 PolarHBondContact OE2-NZ 2.87Å; Q195-K199 WeakPolarHBondContact CA-O 3.17Å; T196-K199 PolarHBondContact N-O 2.9Å; T196-K199 PolarHBondContact O-N 3.26Å
200	V	96.8	Very high	96	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	125	172.9	176.5	0	0	0	0	108.3	I144 F146 F150 V192 Q195 L202	I144-V200 PolarHBondContact N-O 3.02Å; I144-V200 PolarHBondContact O-N 2.87Å; F146-V200 HydrophobicContact CD2-CG2 4.12Å; F146-V200 HydrophobicContact CE2-CB 3.94Å; F146-V200 HydrophobicContact CE2-CG2 3.68Å; F150-V200 HydrophobicContact CB-CG2 3.65Å; F150-V200 HydrophobicContact CD1-CG2 4.28Å; F150-V200 HydrophobicContact CG-CG2 4.2Å; V192-V200 HydrophobicContact CB-CG1 4.41Å; V192-V200 HydrophobicContact CG1-CG1 3.94Å; V192-V200 HydrophobicContact CG2-CG1 3.79Å; Q195-V200 HydrophobicContact CG-CG2 4.05Å; V200-L202 HydrophobicContact CG1-CD2 3.85Å
201	K	97.4	Very high	96	Very high	39 Å²	39	41.9 Å²	41.9	17%	0.17	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	126.1	174.5	-167.3	-175.1	175.7	-174.2	0	109.3	Q141 M142 T193 E194	Q141-K201 VanDerWaalsContact OE1-NZ 3.1Å; M142-K201 CarbonylContact O-C 3.57Å; M142-K201 WeakPolarHBondContact O-CA 3.34Å; T193-K201 PolarHBondContact N-O 3.44Å; T193-K201 PolarHBondContact OG1-O 3.05Å; T193-K201 VanDerWaalsContact OG1-O 3.06Å; E194-K201 HydrophobicContact CB-CB 3.95Å; E194-K201 HydrophobicContact CB-CD 4.16Å; E194-K201 VanDerWaalsContact CD-CD 3.49Å; E194-K201 HydrophobicContact CG-CD 4.15Å; E194-K201 PolarHBondContact O-N 2.76Å; E194-K201 VanDerWaalsContact OE1-CD 3.3Å; E194-K201 WeakPolarHBondContact OE1-CD 3.48Å; E194-K201 IonicContact OE1-NZ 2.68Å; E194-K201 PolarHBondContact OE1-NZ 3.41Å; E194-K201 IonicContact OE2-NZ 2.68Å
202	L	97.4	Very high	96	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	146.4	178.6	-57.5	-179.6	0	0	0	110.6	Q141 M142 I144 M157 L159 L179 K191 V192 V200 V204	Q141-L202 VanDerWaalsContact CA-O 3.27Å; Q141-L202 WeakPolarHBondContact CA-O 3.47Å; M142-L202 HydrophobicContact CG-CB 3.89Å; M142-L202 HydrophobicContact CG-CD1 4.28Å; M142-L202 HydrophobicContact CG-CG 4.46Å; M142-L202 PolarHBondContact N-O 2.8Å; M142-L202 PolarHBondContact O-N 2.78Å; M142-L202 HydrophobicContact SD-CD1 4.28Å; I144-L202 HydrophobicContact CD1-CD1 3.7Å; I144-L202 HydrophobicContact CG1-CD1 4.48Å; M157-L202 HydrophobicContact CE-CD1 3.88Å; M157-L202 HydrophobicContact CE-CD2 4.06Å; L159-L202 HydrophobicContact CD1-CD1 4.18Å; L159-L202 HydrophobicContact CD2-CD1 4.17Å; L179-L202 HydrophobicContact CD1-CD2 3.63Å; K191-L202 CarbonylContact O-C 3.43Å; K191-L202 VanDerWaalsContact O-CA 3.29Å; K191-L202 WeakPolarHBondContact O-CA 3.48Å; V192-L202 HydrophobicContact CG2-CD2 4.03Å; V200-L202 HydrophobicContact CG1-CD2 3.85Å; L202-V204 HydrophobicContact CB-CG2 4.18Å
203	S	97.4	Very high	96.1	Very high	20 Å²	20	36.8 Å²	36.8	14%	0.14	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	132.9	151.4	-176.5	0	0	0	0	107.9	F140 A190 K191	F140-S203 CarbonylContact O-C 3.56Å; F140-S203 WeakPolarHBondContact O-CA 3.32Å; A190-S203 CarbonylContact C-O 3.6Å; A190-S203 WeakPolarHBondContact CA-O 3.46Å; K191-S203 PolarHBondContact N-O 3.38Å; K191-S203 PolarHBondContact O-N 2.78Å
204	V	97.6	Very high	96.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	116.8	-175.2	-178.9	0	0	0	0	108.6	A139 F140 M142 L159 I177 W188 A190 L202	A139-V204 CarbonylContact C-O 3.47Å; A139-V204 WeakPolarHBondContact CA-O 3.3Å; F140-V204 HydrophobicContact CD1-CB 4.11Å; F140-V204 HydrophobicContact CD1-CG1 4.44Å; F140-V204 WeakPolarHBondContact CD1-O 3.46Å; F140-V204 HydrophobicContact CE1-CB 3.66Å; F140-V204 HydrophobicContact CE1-CG1 3.6Å; F140-V204 HydrophobicContact CE2-CB 4.18Å; F140-V204 HydrophobicContact CE2-CG2 4.37Å; F140-V204 HydrophobicContact CZ-CB 3.71Å; F140-V204 HydrophobicContact CZ-CG1 3.73Å; F140-V204 HydrophobicContact CZ-CG2 4.2Å; F140-V204 PolarHBondContact N-O 2.8Å; F140-V204 PolarHBondContact O-N 2.89Å; M142-V204 HydrophobicContact CG-CG2 4.23Å; M142-V204 HydrophobicContact SD-CG2 3.95Å; L159-V204 HydrophobicContact CD1-CG1 4.46Å; L159-V204 HydrophobicContact CD1-CG2 3.78Å; I177-V204 HydrophobicContact CD1-CG1 3.9Å; I177-V204 HydrophobicContact CG2-CG1 4.2Å; W188-V204 HydrophobicContact CZ3-CG1 4.34Å; A190-V204 HydrophobicContact CB-CG2 4.09Å; L202-V204 HydrophobicContact CB-CG2 4.18Å
205	N	95.9	Very high	96.2	Very high	16 Å²	16	31.7 Å²	31.7	9%	0.086	18%	0.175	C	C	.	.			trans	-85.1	156.7	176.9	-159.9	16.3	0	0	0	111.7	L183 E184 R187 E189	L183-N205 HydrophobicContact CD1-CB 4.35Å; L183-N205 HydrophobicContact CD2-CB 4.23Å; E184-N205 PolarHBondContact O-ND2 3.05Å; R187-N205 CarbonylContact O-C 3.57Å; R187-N205 WeakPolarHBondContact O-CB 3.26Å; E189-N205 PolarHBondContact O-N 3.06Å
206	S	96.6	Very high	96.4	Very high	1 Å²	1	29 Å²	29	1%	0.007	17%	0.169	C	C	.	.			trans	-141.6	143.7	173.2	66.1	0	0	0	0	110.7	G137 Q138 R187 W188	G137-S206 WeakPolarHBondContact CA-O 3.49Å; G137-S206 PolarHBondContact N-O 3.22Å; G137-S206 PolarHBondContact N-OG 2.85Å; Q138-S206 PolarHBondContact O-OG 2.75Å; R187-S206 PolarHBondContact O-N 3.42Å; W188-S206 VanDerWaalsContact CH2-CB 3.41Å
207	P	96.8	Very high	96.6	Very high	9 Å²	9	24.9 Å²	24.9	6%	0.058	14%	0.143	C	C	.	.			trans	-72.3	146.7	174.4	30.3	-32.7	0	0	0	111.4	G137 E186 W188 N209 A210	G137-P207 PolarHBondContact N-O 2.65Å; E186-P207 WeakPolarHBondContact OE1-CA 3.11Å; W188-P207 HydrophobicContact CG-CG 4.43Å; W188-P207 VanDerWaalsContact NE1-CD 3.35Å; P207-N209 PolarHBondContact O-N 3.42Å; P207-N209 VanDerWaalsContact O-N 3.16Å; P207-A210 HydrophobicContact CG-CB 4.21Å; P207-A210 VanDerWaalsContact O-CB 3.23Å; P207-A210 WeakPolarHBondContact O-CB 3.5Å; P207-A210 PolarHBondContact O-N 3Å
208	A	96.9	Very high	96.8	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.008	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-15	177	0	0	0	0	0	113.4	R136 E186 C246 E248 D249	R136-A208 VanDerWaalsContact CD-O 3.29Å; R136-A208 WeakPolarHBondContact CD-O 3.49Å; R136-A208 PolarHBondContact NE-O 3.1Å; R136-A208 PolarHBondContact NH1-O 2.91Å; R136-A208 PolarHBondContact NH2-O 2.86Å; E186-A208 VanDerWaalsContact OE1-CB 3.3Å; E186-A208 WeakPolarHBondContact OE1-CB 3.46Å; E186-A208 PolarHBondContact OE1-N 2.7Å; A208-C246 VanDerWaalsContact CB-SG 3.56Å; A208-E248 HydrophobicContact CB-CB 3.56Å; A208-D249 HydrophobicContact CB-CB 4.3Å
209	N	95.8	Very high	96.9	Very high	104 Å²	104	18.1 Å²	18.1	56%	0.556	10%	0.101	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	2.7	171.8	65.7	60.5	0	0	0	114.7	E186 P207	E186-N209 PolarHBondContact OE2-ND2 2.79Å; E186-N209 VanDerWaalsContact OE2-ND2 3.11Å; P207-N209 PolarHBondContact O-N 3.42Å; P207-N209 VanDerWaalsContact O-N 3.16Å
210	A	97.6	Very high	96.8	Very high	5 Å²	5	15.3 Å²	15.3	4%	0.041	9%	0.089	C	C	.	.	P	Polyproline II helix	trans	-57.2	148.8	-174.5	0	0	0	0	0	113.9	R136 W188 P207 I212	R136-A210 HydrophobicContact CB-CB 3.99Å; R136-A210 WeakPolarHBondContact CD-O 3.41Å; R136-A210 PolarHBondContact NH1-O 3.47Å; W188-A210 HydrophobicContact CZ2-CB 4.07Å; P207-A210 HydrophobicContact CG-CB 4.21Å; P207-A210 VanDerWaalsContact O-CB 3.23Å; P207-A210 WeakPolarHBondContact O-CB 3.5Å; P207-A210 PolarHBondContact O-N 3Å; A210-I212 PolarHBondContact O-N 2.93Å
211	V	97.6	Very high	96.6	Very high	12 Å²	12	15.4 Å²	15.4	7%	0.073	9%	0.09	C	C	.	.	P	Polyproline II helix	trans	-62.5	129.2	172.8	169.9	0	0	0	0	109.8	T163 F215 P307 R310	T163-V211 HydrophobicContact CG2-CG1 4.05Å; V211-F215 HydrophobicContact CB-CZ 4.12Å; V211-F215 HydrophobicContact CG1-CZ 4.08Å; V211-F215 VanDerWaalsContact O-CE2 3.26Å; V211-F215 WeakPolarHBondContact O-CE2 3.45Å; V211-F215 VanDerWaalsContact O-CZ 3.25Å; V211-F215 WeakPolarHBondContact O-CZ 3.19Å; V211-P307 VanDerWaalsContact CG1-O 3.3Å; V211-P307 WeakPolarHBondContact CG1-O 3.31Å; V211-R310 HydrophobicContact CG1-CB 4.29Å
212	I	98.1	Very high	96.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.099	C	C	.	.	P	Polyproline II helix	trans	-89	151.2	174.4	67.7	123.1	0	0	0	111.8	A210 I240 F242 L300 R310 L387	A210-I212 PolarHBondContact O-N 2.93Å; I212-I240 CarbonylContact C-O 3.57Å; I212-I240 VanDerWaalsContact CA-O 3.31Å; I212-I240 WeakPolarHBondContact CA-O 3.36Å; I212-I240 VanDerWaalsContact CB-O 3.26Å; I212-I240 WeakPolarHBondContact CB-O 3.25Å; I212-F242 HydrophobicContact CB-CE2 4.39Å; I212-F242 HydrophobicContact CD1-CD2 3.94Å; I212-F242 HydrophobicContact CD1-CE2 3.56Å; I212-F242 HydrophobicContact CD1-CZ 4.5Å; I212-F242 HydrophobicContact CG1-CD2 4.06Å; I212-F242 HydrophobicContact CG1-CE2 3.54Å; I212-F242 HydrophobicContact CG1-CZ 4.04Å; I212-F242 HydrophobicContact CG2-CD1 4.35Å; I212-F242 HydrophobicContact CG2-CD2 3.93Å; I212-F242 HydrophobicContact CG2-CE1 4.43Å; I212-F242 HydrophobicContact CG2-CE2 4.04Å; I212-F242 HydrophobicContact CG2-CG 4.08Å; I212-F242 HydrophobicContact CG2-CZ 4.28Å; I212-L300 HydrophobicContact CD1-CD1 4.05Å; I212-R310 HydrophobicContact CG1-CB 4.17Å; I212-R310 WeakPolarHBondContact CG1-O 3.32Å; I212-L387 HydrophobicContact CD1-CB 4.29Å; I212-L387 HydrophobicContact CD1-CD1 4.48Å; I212-L387 HydrophobicContact CD1-CD2 3.89Å; I212-L387 HydrophobicContact CD1-CG 4.44Å
213	G	96.9	Very high	95.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	139.2	-169.1	-179.9	0	0	0	0	0	113.8	F215 V239 I240	G213-F215 WeakPolarHBondContact O-CD2 3.28Å; G213-V239 WeakPolarHBondContact O-CA 3.13Å; G213-I240 PolarHBondContact N-O 3.09Å; G213-I240 PolarHBondContact O-N 3.07Å
214	L	96.2	Very high	94.8	Very high	66 Å²	66	22 Å²	22	35%	0.346	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	133.7	173	-170.3	69.8	0	0	0	110.6	T163 D237 V239 L297	T163-L214 WeakPolarHBondContact CB-O 3.46Å; T163-L214 PolarHBondContact OG1-O 3.47Å; L214-D237 HydrophobicContact CD1-CB 3.57Å; L214-D237 HydrophobicContact CG-CB 4.07Å; L214-V239 HydrophobicContact CD1-CG2 3.64Å; L214-L297 HydrophobicContact CB-CD1 4.38Å
215	F	96.9	Very high	93.6	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.009	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125.9	177.3	-72.2	-100.3	0	0	0	111	L161 K162 T163 V211 G213 D237 I238 I240	L161-F215 HydrophobicContact CB-CB 4.19Å; L161-F215 HydrophobicContact CB-CD1 3.69Å; L161-F215 HydrophobicContact CB-CE1 4.46Å; L161-F215 HydrophobicContact CB-CG 4.26Å; K162-F215 WeakPolarHBondContact O-CA 3.5Å; T163-F215 HydrophobicContact CG2-CD1 3.95Å; T163-F215 HydrophobicContact CG2-CE1 3.4Å; T163-F215 HydrophobicContact CG2-CE2 4.28Å; T163-F215 HydrophobicContact CG2-CZ 3.59Å; V211-F215 HydrophobicContact CB-CZ 4.12Å; V211-F215 HydrophobicContact CG1-CZ 4.08Å; V211-F215 VanDerWaalsContact O-CE2 3.26Å; V211-F215 WeakPolarHBondContact O-CE2 3.45Å; V211-F215 VanDerWaalsContact O-CZ 3.25Å; V211-F215 WeakPolarHBondContact O-CZ 3.19Å; G213-F215 WeakPolarHBondContact O-CD2 3.28Å; F215-D237 WeakPolarHBondContact O-CA 3.22Å; F215-D237 WeakPolarHBondContact O-CB 3.16Å; F215-I238 PolarHBondContact N-O 3.46Å; F215-I238 PolarHBondContact O-N 3.19Å; F215-I240 HydrophobicContact CD2-CB 4.35Å; F215-I240 HydrophobicContact CD2-CD1 3.75Å; F215-I240 HydrophobicContact CD2-CG1 3.87Å; F215-I240 HydrophobicContact CE2-CB 4.09Å; F215-I240 HydrophobicContact CE2-CD1 3.67Å; F215-I240 HydrophobicContact CE2-CG1 3.98Å; F215-I240 HydrophobicContact CG-CD1 4.37Å; F215-I240 HydrophobicContact CZ-CD1 4.2Å
216	G	96.5	Very high	92.7	Very high	25 Å²	25	30.5 Å²	30.5	26%	0.258	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	131.1	165	0	0	0	0	0	110.6	L161 K162 D237	L161-G216 WeakPolarHBondContact CA-O 3.49Å; K162-G216 PolarHBondContact N-O 3.29Å; K162-G216 PolarHBondContact O-N 3.15Å; G216-D237 WeakPolarHBondContact CA-OD1 3.36Å
217	L	96.6	Very high	91.5	Very high	5 Å²	5	39.9 Å²	39.9	3%	0.026	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	138	177.7	173.1	63.2	0	0	0	111.2	V108 L110 M142 L159 L161 P234 I238	V108-L217 HydrophobicContact CG1-CD2 4.39Å; L110-L217 HydrophobicContact CD2-CD2 3.86Å; M142-L217 HydrophobicContact CE-CD2 4.03Å; L159-L217 HydrophobicContact CB-CD1 4.17Å; L161-L217 HydrophobicContact CD2-CB 4.17Å; L161-L217 HydrophobicContact CD2-CD1 3.71Å; L217-P234 HydrophobicContact CD2-CG 3.93Å; L217-P234 HydrophobicContact CG-CG 4.17Å; L217-P234 VanDerWaalsContact O-CD 3.32Å; L217-P234 WeakPolarHBondContact O-CD 3.47Å; L217-I238 HydrophobicContact CD2-CD1 4.4Å
218	T	96.6	Very high	90.8	Very high	8 Å²	8	46.6 Å²	46.6	5%	0.049	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	138.9	163.8	-56.7	0	0	0	0	108.9	L159 E160 K162 V231 N233	L159-T218 CarbonylContact C-O 3.58Å; L159-T218 WeakPolarHBondContact CA-O 3.45Å; E160-T218 PolarHBondContact N-O 3.23Å; E160-T218 PolarHBondContact O-N 3.23Å; K162-T218 PolarHBondContact NZ-OG1 3.02Å; K162-T218 VanDerWaalsContact NZ-OG1 3.16Å; T218-V231 HydrophobicContact CG2-CG1 3.42Å; T218-V231 VanDerWaalsContact CG2-CG1 3.42Å; T218-N233 WeakPolarHBondContact CB-OD1 3.4Å; T218-N233 WeakPolarHBondContact CG2-OD1 3.38Å; T218-N233 PolarHBondContact OG1-OD1 2.8Å
219	V	96.6	Very high	90.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.2	166	-174.6	0	0	0	0	108.3	V105 V108 I144 M157 L159 H232	V105-V219 HydrophobicContact CG2-CB 4.22Å; V105-V219 HydrophobicContact CG2-CG1 3.78Å; V108-V219 HydrophobicContact CG2-CG2 4.07Å; I144-V219 HydrophobicContact CD1-CG1 4.1Å; I144-V219 HydrophobicContact CD1-CG2 4.31Å; M157-V219 HydrophobicContact CG-CG1 4.17Å; M157-V219 HydrophobicContact SD-CG1 3.88Å; L159-V219 HydrophobicContact CD2-CG1 4.18Å; L159-V219 HydrophobicContact CD2-CG2 4Å; V219-H232 PolarHBondContact N-O 2.84Å; V219-H232 PolarHBondContact O-N 3.22Å
220	T	95.2	Very high	90.1	Very high	8 Å²	8	46 Å²	46	5%	0.049	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	125.9	-178.2	-59.8	0	0	0	0	109.4	M157 H158 E160 P229 T230 V231	M157-T220 VanDerWaalsContact CA-O 3.31Å; M157-T220 WeakPolarHBondContact CA-O 3.45Å; H158-T220 VanDerWaalsContact CE1-CG2 3.47Å; H158-T220 WeakPolarHBondContact CE1-CG2 3.3Å; H158-T220 PolarHBondContact N-O 2.84Å; H158-T220 WeakPolarHBondContact NE2-CB 3.35Å; H158-T220 PolarHBondContact O-N 3.36Å; E160-T220 PolarHBondContact OE1-OG1 2.82Å; T220-P229 HydrophobicContact CG2-CB 3.8Å; T220-P229 HydrophobicContact CG2-CG 4.44Å; T220-T230 WeakPolarHBondContact CA-O 3.45Å; T220-V231 HydrophobicContact CG2-CG2 4.35Å
221	T	93.1	Very high	89.8	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.012	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	148.4	178.4	56.3	0	0	0	0	112.2	L103 F146 K156 M157 P229 T230	L103-T221 HydrophobicContact CD2-CG2 3.97Å; L103-T221 HydrophobicContact CG-CG2 4.49Å; L103-T221 PolarHBondContact O-OG1 2.79Å; L103-T221 VanDerWaalsContact O-OG1 3.1Å; F146-T221 HydrophobicContact CE1-CG2 3.88Å; K156-T221 CarbonylContact O-C 3.57Å; K156-T221 VanDerWaalsContact O-CA 3.32Å; K156-T221 WeakPolarHBondContact O-CA 3.41Å; M157-T221 HydrophobicContact CB-CG2 4.22Å; M157-T221 HydrophobicContact CG-CG2 4.06Å; M157-T221 HydrophobicContact SD-CG2 4.39Å; T221-P229 CarbonylContact O-C 3.59Å; T221-P229 VanDerWaalsContact O-CA 3.29Å; T221-P229 WeakPolarHBondContact O-CA 3.37Å; T221-P229 WeakPolarHBondContact O-CB 3.31Å; T221-T230 PolarHBondContact N-O 2.82Å; T221-T230 PolarHBondContact O-N 3.37Å
222	Q	89.6	Confident	89.6	Confident	76 Å²	76	51.4 Å²	51.4	36%	0.355	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	121.1	173.5	-172.4	-179.5	16.5	0	0	110.2	K156 D226 P229	K156-Q222 PolarHBondContact N-O 2.95Å; K156-Q222 PolarHBondContact O-N 2.85Å; Q222-D226 HydrophobicContact CG-CB 4.13Å; Q222-D226 PolarHBondContact NE2-O 3.4Å; Q222-P229 HydrophobicContact CB-CB 4.28Å
223	S	86.6	Confident	89.4	Confident	11 Å²	11	56.5 Å²	56.5	8%	0.077	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	152.5	167.9	-60.5	0	0	0	0	110.3	R148 T154 D155 K225 D226	R148-S223 PolarHBondContact NH2-OG 3.02Å; T154-S223 CarbonylContact O-C 3.59Å; T154-S223 VanDerWaalsContact O-CA 3.3Å; T154-S223 WeakPolarHBondContact O-CA 3.15Å; D155-S223 WeakPolarHBondContact OD1-CB 3.26Å; D155-S223 PolarHBondContact OD1-OG 3.31Å; S223-K225 PolarHBondContact O-N 2.88Å; S223-D226 VanDerWaalsContact CB-OD2 3.28Å; S223-D226 WeakPolarHBondContact CB-OD2 3.29Å; S223-D226 PolarHBondContact N-OD2 2.88Å; S223-D226 WeakPolarHBondContact O-CB 3.38Å; S223-D226 PolarHBondContact O-N 2.76Å
224	V	77.8	Confident	89	Confident	112 Å²	112	57.5 Å²	57.5	68%	0.679	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-18.3	-177.3	167.6	0	0	0	0	114	T154	T154-V224 WeakPolarHBondContact O-CG2 3.3Å; T154-V224 PolarHBondContact O-N 3.42Å
225	K	72.3	Confident	88.3	Confident	162 Å²	162	60.6 Å²	60.6	70%	0.704	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-4	177.2	-60.1	-179.1	-177.7	178.2	0	114.2	D100 S223	D100-K225 IonicContact OD2-NZ 3.78Å; D100-K225 PolarHBondContact OD2-NZ 3.44Å; S223-K225 PolarHBondContact O-N 2.88Å
226	D	76	Confident	87.9	Confident	32 Å²	32	64.3 Å²	64.3	17%	0.171	35%	0.347	C	S	.	.			trans	-91	124.8	-177.1	-64.9	-40.8	0	0	0	112.1	K102 Q222 S223	K102-D226 WeakPolarHBondContact CE-OD1 3.49Å; K102-D226 WeakPolarHBondContact CE-OD2 2.93Å; K102-D226 WeakPolarHBondContact CG-OD1 3.34Å; K102-D226 WeakPolarHBondContact CG-OD2 3.28Å; Q222-D226 HydrophobicContact CG-CB 4.13Å; Q222-D226 PolarHBondContact NE2-O 3.4Å; S223-D226 VanDerWaalsContact CB-OD2 3.28Å; S223-D226 WeakPolarHBondContact CB-OD2 3.29Å; S223-D226 PolarHBondContact N-OD2 2.88Å; S223-D226 WeakPolarHBondContact O-CB 3.38Å; S223-D226 PolarHBondContact O-N 2.76Å
227	E	72.4	Confident	87.6	Confident	198 Å²	198	66.5 Å²	66.5	93%	0.925	35%	0.353	S	S	*	.	S	Bend	trans	-67.6	-34.3	172.7	-62.9	-171.6	147.8	0	0	112.6
228	E	80.6	Confident	87.6	Confident	149 Å²	149	66.3 Å²	66.3	70%	0.696	35%	0.352	S	S	*	.	S	Bend	trans	-124.3	142	178.8	-67	-168	151.3	0	0	112.1	K102	K102-E228 WeakPolarHBondContact CE-O 3.28Å; K102-E228 PolarHBondContact NZ-O 3.03Å
229	P	87.9	Confident	87.7	Confident	62 Å²	62	66.3 Å²	66.3	40%	0.403	35%	0.352	S	S	.	.			trans	-66.9	151.7	175.2	29.9	-35.8	0	0	0	112.5	T220 T221 Q222	T220-P229 HydrophobicContact CG2-CB 3.8Å; T220-P229 HydrophobicContact CG2-CG 4.44Å; T221-P229 CarbonylContact O-C 3.59Å; T221-P229 VanDerWaalsContact O-CA 3.29Å; T221-P229 WeakPolarHBondContact O-CA 3.37Å; T221-P229 WeakPolarHBondContact O-CB 3.31Å; Q222-P229 HydrophobicContact CB-CB 4.28Å
230	T	90.1	Very high	87.8	Confident	31 Å²	31	66.3 Å²	66.3	19%	0.19	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	135.4	165.2	-52.6	0	0	0	0	109	K102 L103 T220 T221	K102-T230 WeakPolarHBondContact CD-OG1 3.44Å; K102-T230 VanDerWaalsContact CE-OG1 3.23Å; K102-T230 WeakPolarHBondContact CE-OG1 3.42Å; K102-T230 PolarHBondContact NZ-OG1 2.8Å; L103-T230 PolarHBondContact O-OG1 3.44Å; T220-T230 WeakPolarHBondContact CA-O 3.45Å; T221-T230 PolarHBondContact N-O 2.82Å; T221-T230 PolarHBondContact O-N 3.37Å
231	V	92.6	Very high	88	Confident	82 Å²	82	65.9 Å²	65.9	50%	0.497	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129.3	-180	-177.6	0	0	0	0	109.5	T218 T220	T218-V231 HydrophobicContact CG2-CG1 3.42Å; T218-V231 VanDerWaalsContact CG2-CG1 3.42Å; T220-V231 HydrophobicContact CG2-CG2 4.35Å
232	H	93.9	Very high	88.2	Confident	49 Å²	49	65.8 Å²	65.8	23%	0.227	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129	175.1	-178.4	108.8	0	0	0	109.2	V105 V219	V105-H232 HydrophobicContact CB-CB 3.77Å; V105-H232 HydrophobicContact CG1-CB 4.27Å; V105-H232 HydrophobicContact CG2-CB 4.16Å; V105-H232 PolarHBondContact O-ND1 2.73Å; V219-H232 PolarHBondContact N-O 2.84Å; V219-H232 PolarHBondContact O-N 3.22Å
233	N	92.6	Very high	88.7	Confident	107 Å²	107	62.2 Å²	62.2	57%	0.572	33%	0.332	S	S	*	.			trans	-111.3	107	174.9	-61.1	-57.1	0	0	0	108.2	T218	T218-N233 WeakPolarHBondContact CB-OD1 3.4Å; T218-N233 WeakPolarHBondContact CG2-OD1 3.38Å; T218-N233 PolarHBondContact OG1-OD1 2.8Å
234	P	88.8	Confident	89.2	Confident	21 Å²	21	61.7 Å²	61.7	14%	0.136	33%	0.328	C	S	.	.			trans	-59.6	155.2	173.5	-25.3	38.1	0	0	0	111.7	V108 L217 K236	V108-P234 HydrophobicContact CB-CB 4.32Å; V108-P234 HydrophobicContact CB-CG 3.87Å; V108-P234 HydrophobicContact CG1-CG 4.27Å; V108-P234 HydrophobicContact CG2-CG 3.72Å; L217-P234 HydrophobicContact CD2-CG 3.93Å; L217-P234 HydrophobicContact CG-CG 4.17Å; L217-P234 VanDerWaalsContact O-CD 3.32Å; L217-P234 WeakPolarHBondContact O-CD 3.47Å; P234-K236 VanDerWaalsContact C-N 3.27Å; P234-K236 PolarHBondContact O-N 2.73Å
235	S	82.5	Confident	90.2	Very high	131 Å²	131	58 Å²	58	92%	0.916	30%	0.302	S	S	*	.	S	Bend	trans	-86.8	7.2	177.6	56.1	0	0	0	0	114.1
236	K	87.3	Confident	91.4	Very high	80 Å²	80	50.7 Å²	50.7	35%	0.348	27%	0.271	S	S	.	.			trans	-114.1	123.5	175.3	-71.5	-174.1	171.5	-173.6	0	109.2	L110 S112 P234	L110-K236 HydrophobicContact CD1-CB 3.6Å; L110-K236 HydrophobicContact CD1-CD 4.16Å; S112-K236 PolarHBondContact OG-NZ 2.89Å; P234-K236 VanDerWaalsContact C-N 3.27Å; P234-K236 PolarHBondContact O-N 2.73Å
237	D	91.4	Very high	92.2	Very high	71 Å²	71	53.8 Å²	53.8	38%	0.38	29%	0.285	S	S	.	.			trans	-81.6	167.7	169.6	-63.5	-36.3	0	0	0	111.2	L214 F215 G216	L214-D237 HydrophobicContact CD1-CB 3.57Å; L214-D237 HydrophobicContact CG-CB 4.07Å; F215-D237 WeakPolarHBondContact O-CA 3.22Å; F215-D237 WeakPolarHBondContact O-CB 3.16Å; G216-D237 WeakPolarHBondContact CA-OD1 3.36Å
238	I	96.6	Very high	93.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.8	176.5	-55.7	179.4	0	0	0	108.7	L110 L132 I134 F140 L161 F215 L217 I240	L110-I238 HydrophobicContact CD1-CG1 3.97Å; L110-I238 HydrophobicContact CD2-CD1 4.13Å; L110-I238 HydrophobicContact CD2-CG1 4.44Å; L132-I238 HydrophobicContact CB-CG1 4.44Å; L132-I238 HydrophobicContact CB-CG2 4.46Å; L132-I238 HydrophobicContact CD2-CD1 4.1Å; L132-I238 HydrophobicContact CD2-CG1 4.14Å; L132-I238 HydrophobicContact CD2-CG2 4.06Å; L132-I238 HydrophobicContact CG-CG2 4.19Å; L132-I238 WeakPolarHBondContact O-CA 3.41Å; I134-I238 HydrophobicContact CD1-CG2 3.83Å; I134-I238 HydrophobicContact CG1-CG2 3.94Å; F140-I238 HydrophobicContact CE2-CD1 4.26Å; F140-I238 HydrophobicContact CZ-CD1 4.14Å; L161-I238 HydrophobicContact CD2-CD1 4.03Å; F215-I238 PolarHBondContact N-O 3.46Å; F215-I238 PolarHBondContact O-N 3.19Å; L217-I238 HydrophobicContact CD2-CD1 4.4Å; I238-I240 HydrophobicContact CG2-CG1 4.33Å
239	V	98	Very high	94.1	Very high	8 Å²	8	42.2 Å²	42.2	5%	0.048	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	126.8	169.8	-177.1	0	0	0	0	109.5	L132 I133 I134 G213 L214 L241 L293 L297	L132-V239 PolarHBondContact O-N 2.86Å; I133-V239 WeakPolarHBondContact CA-O 3.48Å; I133-V239 HydrophobicContact CB-CB 4.47Å; I133-V239 HydrophobicContact CG1-CB 4.18Å; I133-V239 HydrophobicContact CG1-CG2 4.48Å; I133-V239 HydrophobicContact CG2-CB 4.25Å; I133-V239 HydrophobicContact CG2-CG1 4.33Å; I134-V239 WeakPolarHBondContact CG1-O 3.25Å; I134-V239 PolarHBondContact N-O 3.43Å; G213-V239 WeakPolarHBondContact O-CA 3.13Å; L214-V239 HydrophobicContact CD1-CG2 3.64Å; V239-L241 HydrophobicContact CG1-CD2 3.85Å; V239-L241 HydrophobicContact CG1-CG 4.36Å; V239-L293 HydrophobicContact CG1-CD1 4.47Å; V239-L293 HydrophobicContact CG1-CD2 4.23Å; V239-L297 HydrophobicContact CG1-CD1 4.19Å; V239-L297 HydrophobicContact CG2-CD1 4.37Å
240	I	98.6	Very high	94.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	129.9	174.7	-54.3	-178.1	0	0	0	108.8	I134 R136 L161 W188 I212 G213 F215 I238	I134-I240 HydrophobicContact CD1-CG1 4.24Å; I134-I240 HydrophobicContact CG1-CG1 4.18Å; R136-I240 HydrophobicContact CB-CG2 3.97Å; L161-I240 HydrophobicContact CD1-CD1 4.39Å; W188-I240 HydrophobicContact CH2-CD1 3.61Å; W188-I240 HydrophobicContact CZ2-CD1 3.84Å; I212-I240 CarbonylContact C-O 3.57Å; I212-I240 VanDerWaalsContact CA-O 3.31Å; I212-I240 WeakPolarHBondContact CA-O 3.36Å; I212-I240 VanDerWaalsContact CB-O 3.26Å; I212-I240 WeakPolarHBondContact CB-O 3.25Å; G213-I240 PolarHBondContact N-O 3.09Å; G213-I240 PolarHBondContact O-N 3.07Å; F215-I240 HydrophobicContact CD2-CB 4.35Å; F215-I240 HydrophobicContact CD2-CD1 3.75Å; F215-I240 HydrophobicContact CD2-CG1 3.87Å; F215-I240 HydrophobicContact CE2-CB 4.09Å; F215-I240 HydrophobicContact CE2-CD1 3.67Å; F215-I240 HydrophobicContact CE2-CG1 3.98Å; F215-I240 HydrophobicContact CG-CD1 4.37Å; F215-I240 HydrophobicContact CZ-CD1 4.2Å; I238-I240 HydrophobicContact CG2-CG1 4.33Å
241	L	98.8	Very high	95	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	168.4	179.1	-58.5	-175.3	0	0	0	112.1	Y127 I133 I134 R135 R136 V239 L293	Y127-L241 HydrophobicContact CE2-CD1 3.86Å; I133-L241 HydrophobicContact CG2-CD1 3.6Å; I133-L241 HydrophobicContact CG2-CG 3.94Å; I134-L241 PolarHBondContact O-N 2.88Å; R135-L241 WeakPolarHBondContact CA-O 3.33Å; R135-L241 HydrophobicContact CG-CB 4.36Å; R136-L241 PolarHBondContact N-O 2.99Å; V239-L241 HydrophobicContact CG1-CD2 3.85Å; V239-L241 HydrophobicContact CG1-CG 4.36Å; L241-L293 HydrophobicContact CD2-CD1 4.08Å
242	F	98.9	Very high	95.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.197	C	C	.	.			trans	-65.8	150.3	169	-72.9	-81.4	0	0	0	111.4	R135 R136 I212 P244 V251 R310 P313 V316 L387 I389	R135-F242 PolarHBondContact NH1-O 3.14Å; R136-F242 VanDerWaalsContact CZ-CD1 3.41Å; R136-F242 VanDerWaalsContact NH2-CD1 3.32Å; I212-F242 HydrophobicContact CB-CE2 4.39Å; I212-F242 HydrophobicContact CD1-CD2 3.94Å; I212-F242 HydrophobicContact CD1-CE2 3.56Å; I212-F242 HydrophobicContact CD1-CZ 4.5Å; I212-F242 HydrophobicContact CG1-CD2 4.06Å; I212-F242 HydrophobicContact CG1-CE2 3.54Å; I212-F242 HydrophobicContact CG1-CZ 4.04Å; I212-F242 HydrophobicContact CG2-CD1 4.35Å; I212-F242 HydrophobicContact CG2-CD2 3.93Å; I212-F242 HydrophobicContact CG2-CE1 4.43Å; I212-F242 HydrophobicContact CG2-CE2 4.04Å; I212-F242 HydrophobicContact CG2-CG 4.08Å; I212-F242 HydrophobicContact CG2-CZ 4.28Å; F242-P244 WeakPolarHBondContact O-CD 3.23Å; F242-V251 HydrophobicContact CB-CG2 3.83Å; F242-V251 HydrophobicContact CD1-CG1 4.04Å; F242-V251 HydrophobicContact CD1-CG2 4.43Å; F242-V251 HydrophobicContact CG-CG1 4.48Å; F242-R310 WeakPolarHBondContact CZ-O 3.25Å; F242-P313 HydrophobicContact CE1-CB 3.88Å; F242-P313 HydrophobicContact CE1-CG 4.31Å; F242-P313 HydrophobicContact CZ-CB 4.1Å; F242-V316 HydrophobicContact CE2-CB 4.34Å; F242-V316 HydrophobicContact CE2-CG1 4.24Å; F242-V316 HydrophobicContact CE2-CG2 4.1Å; F242-V316 HydrophobicContact CZ-CB 4.38Å; F242-V316 HydrophobicContact CZ-CG2 3.97Å; F242-L387 WeakPolarHBondContact CB-O 3.27Å; F242-L387 HydrophobicContact CD2-CB 4.41Å; F242-L387 WeakPolarHBondContact CD2-O 3.43Å; F242-L387 PolarHBondContact N-O 3.37Å; F242-I389 HydrophobicContact CB-CG1 4.32Å; F242-I389 HydrophobicContact CD2-CD1 3.9Å; F242-I389 HydrophobicContact CD2-CG1 3.54Å; F242-I389 HydrophobicContact CE2-CD1 3.73Å; F242-I389 HydrophobicContact CE2-CG1 3.93Å; F242-I389 HydrophobicContact CG-CG1 3.91Å; F242-I389 HydrophobicContact CZ-CD1 4.27Å
243	N	98.7	Very high	95.4	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.			trans	-122	89	-173	-158	-6.5	0	0	0	115.4	R135 R136 Q138 W245 C246 D249	R135-N243 HydrophobicContact CB-CB 3.63Å; R135-N243 VanDerWaalsContact CB-CG 3.46Å; R135-N243 WeakPolarHBondContact CD-OD1 3.43Å; R136-N243 HydrophobicContact CG-CB 4.34Å; R136-N243 WeakPolarHBondContact O-CB 3.18Å; R136-N243 PolarHBondContact O-ND2 2.91Å; Q138-N243 PolarHBondContact OE1-ND2 2.84Å; N243-W245 PolarHBondContact O-N 2.87Å; N243-W245 WeakPolarHBondContact OD1-CB 3.41Å; N243-W245 PolarHBondContact OD1-N 2.9Å; N243-W245 VanDerWaalsContact OD1-N 3.08Å; N243-C246 HydrophobicContact CB-CB 3.97Å; N243-C246 PolarHBondContact O-N 2.85Å; N243-D249 WeakPolarHBondContact CA-OD2 3.42Å; N243-D249 HydrophobicContact CB-CB 4.41Å; N243-D249 PolarHBondContact N-OD2 3.43Å; N243-D249 VanDerWaalsContact O-CB 3.26Å; N243-D249 WeakPolarHBondContact O-CB 3.16Å
244	P	98.6	Very high	95.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-12.3	171.6	-27.2	37.5	0	0	0	115.6	F242 V251 F252 L253 R259 V263 G388 P390	F242-P244 WeakPolarHBondContact O-CD 3.23Å; P244-V251 HydrophobicContact CG-CG2 3.97Å; P244-F252 VanDerWaalsContact O-CD2 3.31Å; P244-F252 WeakPolarHBondContact O-CD2 3.39Å; P244-L253 PolarHBondContact O-N 3.44Å; P244-L253 VanDerWaalsContact O-N 3.15Å; P244-R259 HydrophobicContact CB-CG 4.16Å; P244-R259 WeakPolarHBondContact O-CD 3.36Å; P244-V263 HydrophobicContact CB-CG2 4.33Å; P244-V263 HydrophobicContact CG-CG2 3.9Å; P244-G388 VanDerWaalsContact CD-O 3.24Å; P244-G388 WeakPolarHBondContact CD-O 3Å; P244-G388 WeakPolarHBondContact CG-O 3.41Å; P244-P390 HydrophobicContact CB-CG 4.01Å; P244-P390 HydrophobicContact CG-CG 3.74Å
245	W	98.3	Very high	95.7	Very high	36 Å²	36	34.4 Å²	34.4	14%	0.136	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-10.7	-179.3	-68.6	-104.2	0	0	0	114.5	H123 N243 E256 R259 V263 L264	H123-W245 HydrophobicContact CB-CH2 4.06Å; H123-W245 HydrophobicContact CB-CZ2 4.11Å; H123-W245 HydrophobicContact CB-CZ3 4.25Å; H123-W245 AromaticContact CD2-CD1 3.8Å; H123-W245 AromaticContact CD2-CD2 3.74Å; H123-W245 AromaticContact CD2-CE2 3.71Å; H123-W245 AromaticContact CD2-CG 3.88Å; H123-W245 AromaticContact CD2-NE1 3.79Å; H123-W245 AromaticContact CE1-CD1 3.97Å; H123-W245 AromaticContact CE1-CE2 3.98Å; H123-W245 AromaticContact CE1-NE1 3.56Å; H123-W245 AromaticContact CG-CE2 3.77Å; H123-W245 AromaticContact CG-CZ2 3.89Å; H123-W245 AromaticContact ND1-CE2 3.94Å; H123-W245 AromaticContact ND1-NE1 3.96Å; H123-W245 AromaticContact NE2-CD1 3.4Å; H123-W245 AromaticContact NE2-CE2 3.86Å; H123-W245 AromaticContact NE2-CG 3.93Å; H123-W245 AromaticContact NE2-NE1 3.44Å; H123-W245 PolarHBondContact NE2-NE1 3.1Å; N243-W245 PolarHBondContact O-N 2.87Å; N243-W245 WeakPolarHBondContact OD1-CB 3.41Å; N243-W245 PolarHBondContact OD1-N 2.9Å; N243-W245 VanDerWaalsContact OD1-N 3.08Å; W245-E256 PolarHBondContact NE1-OE2 2.8Å; W245-E256 VanDerWaalsContact NE1-OE2 3.15Å; W245-R259 HydrophobicContact CH2-CB 4.38Å; W245-R259 HydrophobicContact CZ2-CB 3.81Å; W245-R259 HydrophobicContact CZ2-CG 4.43Å; W245-V263 HydrophobicContact CH2-CB 4.12Å; W245-V263 HydrophobicContact CH2-CG1 4.08Å; W245-V263 HydrophobicContact CH2-CG2 4.44Å; W245-V263 HydrophobicContact CZ3-CG1 4.18Å; W245-L264 HydrophobicContact CH2-CD1 4.06Å; W245-L264 HydrophobicContact CH2-CD2 3.89Å; W245-L264 HydrophobicContact CH2-CG 3.87Å; W245-L264 HydrophobicContact CZ2-CD1 3.83Å; W245-L264 HydrophobicContact CZ2-CD2 4.5Å; W245-L264 HydrophobicContact CZ2-CG 4.12Å
246	C	96.8	Very high	96.4	Very high	8 Å²	8	31.2 Å²	31.2	5%	0.054	15%	0.153	C	C	.	.			trans	-93.4	127.4	175.1	160.8	0	0	0	0	109.1	A208 N243 E248 D249 F252	A208-C246 VanDerWaalsContact CB-SG 3.56Å; N243-C246 HydrophobicContact CB-CB 3.97Å; N243-C246 PolarHBondContact O-N 2.85Å; C246-E248 PolarHBondContact O-N 3.45Å; C246-E248 PolarHBondContact SG-OE2 3.04Å; C246-D249 HydrophobicContact CB-CB 4.28Å; C246-D249 PolarHBondContact O-N 3.06Å; C246-F252 VanDerWaalsContact O-CB 3.3Å; C246-F252 WeakPolarHBondContact O-CB 3.39Å; C246-F252 WeakPolarHBondContact O-CD2 3.43Å; C246-F252 WeakPolarHBondContact O-CG 3.36Å
247	E	93.9	Very high	96.9	Very high	97 Å²	97	32 Å²	32	45%	0.453	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-26.2	-173	-53.2	-161.3	165.2	0	0	112.1	F252 Y618	E247-F252 HydrophobicContact CB-CD1 4.49Å; E247-F252 HydrophobicContact CB-CD2 4.5Å; E247-F252 HydrophobicContact CB-CE1 4.36Å; E247-F252 HydrophobicContact CB-CE2 4.38Å; E247-F252 HydrophobicContact CB-CZ 4.3Å; E247-F252 HydrophobicContact CG-CD2 4.41Å; E247-F252 HydrophobicContact CG-CE1 4.24Å; E247-F252 HydrophobicContact CG-CE2 3.84Å; E247-F252 HydrophobicContact CG-CZ 3.74Å; E247-Y618 PolarHBondContact O-OH 2.88Å
248	E	94.6	Very high	97.2	Very high	103 Å²	103	30.9 Å²	30.9	48%	0.481	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-17.4	179.3	-57.9	71.5	-159.8	0	0	113.7	A208 C246 Y618	A208-E248 HydrophobicContact CB-CB 3.56Å; C246-E248 PolarHBondContact O-N 3.45Å; C246-E248 PolarHBondContact SG-OE2 3.04Å; E248-Y618 WeakPolarHBondContact CA-OH 3.25Å
249	D	97.8	Very high	97.3	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	16%	0.156	C	C	.	.	S	Bend	trans	-74	136.9	-179.9	-164.6	-39.5	0	0	0	110.6	R136 A208 N243 C246 V251 F252	R136-D249 WeakPolarHBondContact CG-OD2 3.45Å; R136-D249 IonicContact CZ-OD1 2.63Å; R136-D249 IonicContact CZ-OD2 3.54Å; R136-D249 IonicContact NE-OD1 3.6Å; R136-D249 IonicContact NE-OD2 3.85Å; R136-D249 PolarHBondContact NE-OD2 3.16Å; R136-D249 IonicContact NH2-OD1 2.74Å; R136-D249 PolarHBondContact NH2-OD1 3.39Å; R136-D249 IonicContact NH2-OD2 3.65Å; R136-D249 PolarHBondContact NH2-OD2 3.38Å; A208-D249 HydrophobicContact CB-CB 4.3Å; N243-D249 WeakPolarHBondContact CA-OD2 3.42Å; N243-D249 HydrophobicContact CB-CB 4.41Å; N243-D249 PolarHBondContact N-OD2 3.43Å; N243-D249 VanDerWaalsContact O-CB 3.26Å; N243-D249 WeakPolarHBondContact O-CB 3.16Å; C246-D249 HydrophobicContact CB-CB 4.28Å; C246-D249 PolarHBondContact O-N 3.06Å; D249-V251 PolarHBondContact O-N 2.6Å; D249-V251 WeakPolarHBondContact OD1-CG2 3.13Å; D249-V251 PolarHBondContact OD1-N 2.64Å; D249-F252 VanDerWaalsContact O-CB 3.3Å; D249-F252 WeakPolarHBondContact O-CB 3.16Å; D249-F252 PolarHBondContact O-N 2.81Å
250	T	97.2	Very high	97.3	Very high	42 Å²	42	35.7 Å²	35.7	26%	0.258	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-10.8	173.1	47.1	0	0	0	0	114.3	R136 P313 M439 A440	R136-T250 PolarHBondContact NH2-OG1 2.87Å; T250-P313 VanDerWaalsContact OG1-CD 3.3Å; T250-P313 WeakPolarHBondContact OG1-CD 3.47Å; T250-P313 WeakPolarHBondContact OG1-CG 3.16Å; T250-M439 CarbonylContact O-C 3.53Å; T250-M439 VanDerWaalsContact O-CA 3.24Å; T250-M439 WeakPolarHBondContact O-CA 3.33Å; T250-A440 HydrophobicContact CG2-CB 4.48Å; T250-A440 PolarHBondContact O-N 2.81Å
251	V	98.5	Very high	97.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	10.5	170.4	-51.7	0	0	0	0	115.2	F242 P244 D249 L253 P313 I389 M439	F242-V251 HydrophobicContact CB-CG2 3.83Å; F242-V251 HydrophobicContact CD1-CG1 4.04Å; F242-V251 HydrophobicContact CD1-CG2 4.43Å; F242-V251 HydrophobicContact CG-CG1 4.48Å; P244-V251 HydrophobicContact CG-CG2 3.97Å; D249-V251 PolarHBondContact O-N 2.6Å; D249-V251 WeakPolarHBondContact OD1-CG2 3.13Å; D249-V251 PolarHBondContact OD1-N 2.64Å; V251-L253 PolarHBondContact O-N 2.83Å; V251-P313 HydrophobicContact CG1-CB 3.81Å; V251-P313 HydrophobicContact CG1-CG 4.01Å; V251-I389 HydrophobicContact CG1-CG1 4.33Å; V251-I389 HydrophobicContact CG1-CG2 4.38Å; V251-M439 HydrophobicContact CG1-CB 4.48Å
252	F	98.2	Very high	97.3	Very high	30 Å²	30	36.4 Å²	36.4	13%	0.132	17%	0.173	C	C	.	.			trans	-52	133.3	-179.5	178.5	-119.7	0	0	0	113.5	P244 C246 E247 D249 D254 W438	P244-F252 VanDerWaalsContact O-CD2 3.31Å; P244-F252 WeakPolarHBondContact O-CD2 3.39Å; C246-F252 VanDerWaalsContact O-CB 3.3Å; C246-F252 WeakPolarHBondContact O-CB 3.39Å; C246-F252 WeakPolarHBondContact O-CD2 3.43Å; C246-F252 WeakPolarHBondContact O-CG 3.36Å; E247-F252 HydrophobicContact CB-CD1 4.49Å; E247-F252 HydrophobicContact CB-CD2 4.5Å; E247-F252 HydrophobicContact CB-CE1 4.36Å; E247-F252 HydrophobicContact CB-CE2 4.38Å; E247-F252 HydrophobicContact CB-CZ 4.3Å; E247-F252 HydrophobicContact CG-CD2 4.41Å; E247-F252 HydrophobicContact CG-CE1 4.24Å; E247-F252 HydrophobicContact CG-CE2 3.84Å; E247-F252 HydrophobicContact CG-CZ 3.74Å; D249-F252 VanDerWaalsContact O-CB 3.3Å; D249-F252 WeakPolarHBondContact O-CB 3.16Å; D249-F252 PolarHBondContact O-N 2.81Å; F252-D254 HydrophobicContact CE1-CB 3.88Å; F252-D254 HydrophobicContact CZ-CB 3.84Å; F252-W438 PolarHBondContact O-NE1 3.06Å
253	L	96.6	Very high	97.2	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	17%	0.173	C	C	.	.			trans	-135.7	107	-178.7	176.8	60.8	0	0	0	109.2	P244 V251 D255 Q258 R259 Y262 P390 W438	P244-L253 PolarHBondContact O-N 3.44Å; P244-L253 VanDerWaalsContact O-N 3.15Å; V251-L253 PolarHBondContact O-N 2.83Å; L253-D255 VanDerWaalsContact C-N 3.32Å; L253-D255 PolarHBondContact O-N 3.35Å; L253-Q258 HydrophobicContact CD1-CB 4.35Å; L253-Q258 HydrophobicContact CD2-CB 3.95Å; L253-Q258 HydrophobicContact CG-CB 4.26Å; L253-R259 HydrophobicContact CB-CG 3.97Å; L253-R259 HydrophobicContact CD2-CG 3.99Å; L253-R259 HydrophobicContact CG-CG 4.01Å; L253-R259 WeakPolarHBondContact O-CD 3.43Å; L253-R259 WeakPolarHBondContact O-CG 3.35Å; L253-R259 PolarHBondContact O-NE 2.92Å; L253-Y262 HydrophobicContact CD2-CD2 4.28Å; L253-P390 HydrophobicContact CB-CG 4.48Å; L253-P390 HydrophobicContact CD2-CB 3.91Å; L253-P390 HydrophobicContact CD2-CG 4.08Å; L253-W438 HydrophobicContact CD1-CD2 3.99Å; L253-W438 HydrophobicContact CD1-CG 4.32Å; L253-W438 HydrophobicContact CD1-CH2 4.47Å; L253-W438 HydrophobicContact CD1-CZ2 3.91Å
254	D	92.6	Very high	97.2	Very high	56 Å²	56	38.1 Å²	38.1	30%	0.299	18%	0.182	S	C	.	.			trans	-68.4	-27.9	-168.3	70.2	-64.8	0	0	0	114.3	F252 E256 R259 Y617 K623	F252-D254 HydrophobicContact CE1-CB 3.88Å; F252-D254 HydrophobicContact CZ-CB 3.84Å; D254-E256 PolarHBondContact O-N 3.01Å; D254-R259 PolarHBondContact O-NH2 3.21Å; D254-Y617 HydrophobicContact CB-CE1 4.42Å; D254-Y617 PolarHBondContact OD1-OH 3.28Å; D254-Y617 PolarHBondContact OD2-OH 3.1Å; D254-Y617 VanDerWaalsContact OD2-OH 3.1Å; D254-K623 IonicContact OD1-NZ 3.35Å; D254-K623 IonicContact OD2-NZ 2.8Å; D254-K623 PolarHBondContact OD2-NZ 3.2Å
255	D	95.9	Very high	97.1	Very high	58 Å²	58	40.2 Å²	40.2	31%	0.31	19%	0.193	S	C	.	.			trans	-78	119.4	179.4	-175.9	-38.2	0	0	0	111.5	L253 E257 Q258 R259	L253-D255 VanDerWaalsContact C-N 3.32Å; L253-D255 PolarHBondContact O-N 3.35Å; D255-E257 WeakPolarHBondContact OD1-CA 3.49Å; D255-E257 PolarHBondContact OD1-N 3.46Å; D255-Q258 HydrophobicContact CB-CB 3.85Å; D255-Q258 HydrophobicContact CB-CG 3.86Å; D255-Q258 VanDerWaalsContact CB-NE2 3.32Å; D255-Q258 VanDerWaalsContact CG-CG 3.48Å; D255-Q258 VanDerWaalsContact CG-NE2 3.27Å; D255-Q258 PolarHBondContact O-N 3.09Å; D255-Q258 PolarHBondContact OD1-N 3.45Å; D255-Q258 PolarHBondContact OD2-NE2 2.96Å; D255-R259 WeakPolarHBondContact O-CG 3.48Å; D255-R259 PolarHBondContact O-N 2.94Å; D255-R259 PolarHBondContact O-NE 3Å
256	E	96.7	Very high	96.8	Very high	64 Å²	64	41.8 Å²	41.8	30%	0.299	20%	0.204	S	C	.	.	H	α-helix	trans	-71.7	-31.5	-177.7	177.9	57.1	-156.5	0	0	113.2	W245 D254 R259 K260	W245-E256 PolarHBondContact NE1-OE2 2.8Å; W245-E256 VanDerWaalsContact NE1-OE2 3.15Å; D254-E256 PolarHBondContact O-N 3.01Å; E256-R259 PolarHBondContact O-N 3.18Å; E256-R259 IonicContact OE2-CZ 2.72Å; E256-R259 IonicContact OE2-NE 3.65Å; E256-R259 PolarHBondContact OE2-NE 2.67Å; E256-R259 IonicContact OE2-NH1 2.73Å; E256-R259 IonicContact OE2-NH2 3.64Å; E256-K260 VanDerWaalsContact O-CG 3.3Å; E256-K260 WeakPolarHBondContact O-CG 3.35Å; E256-K260 PolarHBondContact O-N 3.25Å; E256-K260 WeakPolarHBondContact OE1-CE 3.22Å; E256-K260 IonicContact OE1-NZ 2.67Å
257	E	97.7	Very high	96.5	Very high	98 Å²	98	43.5 Å²	43.5	46%	0.458	22%	0.215	S	C	.	.	H	α-helix	trans	-75.8	-32.9	175	-59.3	-52.7	129.5	0	0	110.9	D255 K260 E261 V528	D255-E257 WeakPolarHBondContact OD1-CA 3.49Å; D255-E257 PolarHBondContact OD1-N 3.46Å; E257-K260 PolarHBondContact O-N 3.23Å; E257-K260 IonicContact OE1-NZ 3.91Å; E257-K260 PolarHBondContact OE1-NZ 2.94Å; E257-K260 IonicContact OE2-NZ 2.89Å; E257-E261 WeakPolarHBondContact O-CB 3.32Å; E257-E261 PolarHBondContact O-N 3.13Å; E257-V528 HydrophobicContact CB-CG1 3.8Å; E257-V528 WeakPolarHBondContact O-CG1 3.36Å
258	Q	98.2	Very high	96.4	Very high	46 Å²	46	39 Å²	39	22%	0.215	19%	0.194	C	C	.	.	H	α-helix	trans	-67.9	-38.6	169.8	-67.9	-175	65.6	0	0	112.1	L253 D255 E261 Y262 V528	L253-Q258 HydrophobicContact CD1-CB 4.35Å; L253-Q258 HydrophobicContact CD2-CB 3.95Å; L253-Q258 HydrophobicContact CG-CB 4.26Å; D255-Q258 HydrophobicContact CB-CB 3.85Å; D255-Q258 HydrophobicContact CB-CG 3.86Å; D255-Q258 VanDerWaalsContact CB-NE2 3.32Å; D255-Q258 VanDerWaalsContact CG-CG 3.48Å; D255-Q258 VanDerWaalsContact CG-NE2 3.27Å; D255-Q258 PolarHBondContact O-N 3.09Å; D255-Q258 PolarHBondContact OD1-N 3.45Å; D255-Q258 PolarHBondContact OD2-NE2 2.96Å; Q258-E261 PolarHBondContact O-N 3.5Å; Q258-Y262 HydrophobicContact CB-CD2 3.75Å; Q258-Y262 HydrophobicContact CB-CE2 3.74Å; Q258-Y262 HydrophobicContact CG-CD2 4.32Å; Q258-Y262 HydrophobicContact CG-CE2 3.78Å; Q258-Y262 VanDerWaalsContact O-CB 3.27Å; Q258-Y262 WeakPolarHBondContact O-CB 3.32Å; Q258-Y262 WeakPolarHBondContact O-CD2 3.31Å; Q258-Y262 PolarHBondContact O-N 2.83Å; Q258-V528 HydrophobicContact CG-CG1 4.47Å; Q258-V528 HydrophobicContact CG-CG2 3.97Å
259	R	98.4	Very high	96.3	Very high	30 Å²	30	36.9 Å²	36.9	11%	0.113	18%	0.181	C	C	.	.	H	α-helix	trans	-60.9	-43	170.9	-78.6	177.9	-79.6	-175.9	-13.4	111.9	P244 W245 L253 D254 D255 E256 V263 L264	P244-R259 HydrophobicContact CB-CG 4.16Å; P244-R259 WeakPolarHBondContact O-CD 3.36Å; W245-R259 HydrophobicContact CH2-CB 4.38Å; W245-R259 HydrophobicContact CZ2-CB 3.81Å; W245-R259 HydrophobicContact CZ2-CG 4.43Å; L253-R259 HydrophobicContact CB-CG 3.97Å; L253-R259 HydrophobicContact CD2-CG 3.99Å; L253-R259 HydrophobicContact CG-CG 4.01Å; L253-R259 WeakPolarHBondContact O-CD 3.43Å; L253-R259 WeakPolarHBondContact O-CG 3.35Å; L253-R259 PolarHBondContact O-NE 2.92Å; D254-R259 PolarHBondContact O-NH2 3.21Å; D255-R259 WeakPolarHBondContact O-CG 3.48Å; D255-R259 PolarHBondContact O-N 2.94Å; D255-R259 PolarHBondContact O-NE 3Å; E256-R259 PolarHBondContact O-N 3.18Å; E256-R259 IonicContact OE2-CZ 2.72Å; E256-R259 IonicContact OE2-NE 3.65Å; E256-R259 PolarHBondContact OE2-NE 2.67Å; E256-R259 IonicContact OE2-NH1 2.73Å; E256-R259 IonicContact OE2-NH2 3.64Å; R259-V263 VanDerWaalsContact O-CB 3.26Å; R259-V263 WeakPolarHBondContact O-CB 3.43Å; R259-V263 WeakPolarHBondContact O-CG2 3.48Å; R259-V263 PolarHBondContact O-N 2.93Å; R259-L264 PolarHBondContact O-N 3.34Å
260	K	97.8	Very high	96.1	Very high	80 Å²	80	37 Å²	37	35%	0.348	18%	0.182	S	C	.	.	I	π-helix	trans	-59.4	-53.2	172.4	-70.8	164.7	-165.5	165.4	0	111.6	E256 E257 L264 N265	E256-K260 VanDerWaalsContact O-CG 3.3Å; E256-K260 WeakPolarHBondContact O-CG 3.35Å; E256-K260 PolarHBondContact O-N 3.25Å; E256-K260 WeakPolarHBondContact OE1-CE 3.22Å; E256-K260 IonicContact OE1-NZ 2.67Å; E257-K260 PolarHBondContact O-N 3.23Å; E257-K260 IonicContact OE1-NZ 3.91Å; E257-K260 PolarHBondContact OE1-NZ 2.94Å; E257-K260 IonicContact OE2-NZ 2.89Å; K260-L264 CarbonylContact O-C 3.6Å; K260-L264 WeakPolarHBondContact O-CA 3.38Å; K260-L264 PolarHBondContact O-N 3.38Å; K260-N265 PolarHBondContact O-N 3.49Å
261	E	98.4	Very high	95.9	Very high	9 Å²	9	35.5 Å²	35.5	4%	0.042	17%	0.172	C	C	.	.	I	π-helix	trans	-66.2	-41.9	-177.1	178.6	58.9	-153.7	0	0	113.5	E257 Q258 N265 R385 K526 V528	E257-E261 WeakPolarHBondContact O-CB 3.32Å; E257-E261 PolarHBondContact O-N 3.13Å; Q258-E261 PolarHBondContact O-N 3.5Å; E261-N265 WeakPolarHBondContact O-CB 3.41Å; E261-N265 PolarHBondContact OE1-ND2 2.9Å; E261-N265 PolarHBondContact OE2-ND2 2.83Å; E261-R385 PolarHBondContact O-NH1 2.9Å; E261-R385 PolarHBondContact O-NH2 2.93Å; E261-K526 WeakPolarHBondContact OE1-CD 3.23Å; E261-K526 WeakPolarHBondContact OE1-CE 3.34Å; E261-K526 IonicContact OE1-NZ 3.34Å; E261-K526 PolarHBondContact OE1-NZ 3.5Å; E261-K526 IonicContact OE2-NZ 3.49Å; E261-K526 PolarHBondContact OE2-NZ 2.96Å; E261-V528 HydrophobicContact CB-CG1 4.11Å
262	Y	98.8	Very high	95.3	Very high	5 Å²	5	40.4 Å²	40.4	2%	0.02	19%	0.191	C	C	.	.	I	π-helix	trans	-97	-3.8	-169.3	-54.9	-47.9	0	0	0	114.5	L253 Q258 R385 P390 A391 R392 W451 V528	L253-Y262 HydrophobicContact CD2-CD2 4.28Å; Q258-Y262 HydrophobicContact CB-CD2 3.75Å; Q258-Y262 HydrophobicContact CB-CE2 3.74Å; Q258-Y262 HydrophobicContact CG-CD2 4.32Å; Q258-Y262 HydrophobicContact CG-CE2 3.78Å; Q258-Y262 VanDerWaalsContact O-CB 3.27Å; Q258-Y262 WeakPolarHBondContact O-CB 3.32Å; Q258-Y262 WeakPolarHBondContact O-CD2 3.31Å; Q258-Y262 PolarHBondContact O-N 2.83Å; Y262-R385 VanDerWaalsContact O-CG 3.32Å; Y262-R385 WeakPolarHBondContact O-CG 3.3Å; Y262-R385 PolarHBondContact O-NE 3.11Å; Y262-P390 WeakPolarHBondContact O-CA 3.26Å; Y262-A391 PolarHBondContact O-N 2.89Å; Y262-R392 HydrophobicContact CD1-CB 3.85Å; Y262-R392 HydrophobicContact CE1-CB 3.87Å; Y262-R392 HydrophobicContact CE1-CG 4.3Å; Y262-R392 PolarHBondContact OH-NH1 2.72Å; Y262-W451 HydrophobicContact CD1-CH2 4.24Å; Y262-W451 AromaticContact CD2-CH2 3.59Å; Y262-W451 HydrophobicContact CD2-CH2 3.59Å; Y262-W451 AromaticContact CD2-CZ2 3.71Å; Y262-W451 HydrophobicContact CD2-CZ2 3.71Å; Y262-W451 HydrophobicContact CE1-CH2 4.41Å; Y262-W451 AromaticContact CE2-CH2 3.81Å; Y262-W451 HydrophobicContact CE2-CH2 3.81Å; Y262-W451 AromaticContact CE2-CZ2 3.47Å; Y262-W451 HydrophobicContact CE2-CZ2 3.47Å; Y262-W451 VanDerWaalsContact CE2-CZ2 3.47Å; Y262-W451 AromaticContact CG-CH2 3.82Å; Y262-W451 HydrophobicContact CG-CH2 3.82Å; Y262-W451 HydrophobicContact CG-CZ2 4.36Å; Y262-W451 AromaticContact CZ-CZ2 3.91Å; Y262-V528 HydrophobicContact CE2-CG2 4.17Å; Y262-V528 WeakPolarHBondContact OH-CG2 3.31Å
263	V	98.6	Very high	94.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.196	C	C	.	.	I	π-helix	trans	-130.3	-51.2	176.5	-166.6	0	0	0	0	111.7	P244 W245 R259 Q287 P390	P244-V263 HydrophobicContact CB-CG2 4.33Å; P244-V263 HydrophobicContact CG-CG2 3.9Å; W245-V263 HydrophobicContact CH2-CB 4.12Å; W245-V263 HydrophobicContact CH2-CG1 4.08Å; W245-V263 HydrophobicContact CH2-CG2 4.44Å; W245-V263 HydrophobicContact CZ3-CG1 4.18Å; R259-V263 VanDerWaalsContact O-CB 3.26Å; R259-V263 WeakPolarHBondContact O-CB 3.43Å; R259-V263 WeakPolarHBondContact O-CG2 3.48Å; R259-V263 PolarHBondContact O-N 2.93Å; V263-Q287 PolarHBondContact O-NE2 3.01Å; V263-P390 HydrophobicContact CG2-CB 3.85Å; V263-P390 HydrophobicContact CG2-CG 3.9Å
264	L	97.4	Very high	93.6	Very high	37 Å²	37	42.5 Å²	42.5	19%	0.194	21%	0.211	C	C	.	.	I	π-helix	trans	-92.2	-18	-170.1	-56	-177.3	0	0	0	114.9	H123 W245 R259 K260 D266 F288	H123-L264 HydrophobicContact CB-CD1 4.49Å; H123-L264 HydrophobicContact CB-CD2 4.37Å; W245-L264 HydrophobicContact CH2-CD1 4.06Å; W245-L264 HydrophobicContact CH2-CD2 3.89Å; W245-L264 HydrophobicContact CH2-CG 3.87Å; W245-L264 HydrophobicContact CZ2-CD1 3.83Å; W245-L264 HydrophobicContact CZ2-CD2 4.5Å; W245-L264 HydrophobicContact CZ2-CG 4.12Å; R259-L264 PolarHBondContact O-N 3.34Å; K260-L264 CarbonylContact O-C 3.6Å; K260-L264 WeakPolarHBondContact O-CA 3.38Å; K260-L264 PolarHBondContact O-N 3.38Å; L264-D266 PolarHBondContact O-N 3.12Å; L264-F288 HydrophobicContact CD2-CZ 4.14Å; L264-F288 WeakPolarHBondContact O-CE2 3.46Å
265	N	96.2	Very high	92.8	Very high	44 Å²	44	42.1 Å²	42.1	24%	0.235	21%	0.207	C	C	.	.			trans	-76.7	123.4	173.2	-168.9	-3.6	0	0	0	109.2	K260 E261 T267 Q287 R385	K260-N265 PolarHBondContact O-N 3.49Å; E261-N265 WeakPolarHBondContact O-CB 3.41Å; E261-N265 PolarHBondContact OE1-ND2 2.9Å; E261-N265 PolarHBondContact OE2-ND2 2.83Å; N265-T267 PolarHBondContact ND2-O 2.99Å; N265-T267 PolarHBondContact OD1-N 3.43Å; N265-T267 VanDerWaalsContact OD1-N 3.16Å; N265-T267 PolarHBondContact OD1-O 2.87Å; N265-Q287 PolarHBondContact O-NE2 2.9Å; N265-R385 PolarHBondContact O-NH1 2.92Å
266	D	92.9	Very high	92	Very high	69 Å²	69	47.3 Å²	47.3	37%	0.369	23%	0.227	S	C	.	.			trans	-94.8	-1.2	-177.9	78	-8.2	0	0	0	113.5	L264 N284 F285 G286 F288	L264-D266 PolarHBondContact O-N 3.12Å; D266-N284 CarbonylContact O-C 3.52Å; D266-F285 WeakPolarHBondContact O-CA 3.4Å; D266-F285 WeakPolarHBondContact O-CB 3.38Å; D266-F285 PolarHBondContact O-N 2.77Å; D266-G286 PolarHBondContact O-N 2.93Å; D266-F288 HydrophobicContact CB-CD2 4.14Å; D266-F288 HydrophobicContact CB-CE2 4.4Å
267	T	91.2	Very high	91.2	Very high	44 Å²	44	51.6 Å²	51.6	27%	0.27	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	138.6	-174.8	-59.6	0	0	0	0	109.8	N265 T282 W283	N265-T267 PolarHBondContact ND2-O 2.99Å; N265-T267 PolarHBondContact OD1-N 3.43Å; N265-T267 VanDerWaalsContact OD1-N 3.16Å; N265-T267 PolarHBondContact OD1-O 2.87Å; T267-T282 HydrophobicContact CG2-CG2 3.77Å; T267-W283 WeakPolarHBondContact CA-O 3.2Å
268	G	91.8	Very high	90.8	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	-177.9	-174.5	0	0	0	0	0	114.6	T282 W283	G268-T282 CarbonylContact O-C 3.58Å; G268-T282 WeakPolarHBondContact O-CA 3.42Å; G268-W283 PolarHBondContact N-O 2.83Å; G268-W283 PolarHBondContact O-N 2.91Å
269	R	92.4	Very high	90	Very high	60 Å²	60	48.2 Å²	48.2	23%	0.226	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	133.7	174.8	-63.8	-66	-177.2	145.2	0.6	109.3	Y271 R281 T282 K526 D531	R269-Y271 HydrophobicContact CB-CE2 4.11Å; R269-R281 WeakPolarHBondContact CA-O 3.46Å; R269-T282 VanDerWaalsContact CZ-OG1 3.26Å; R269-T282 PolarHBondContact NE-OG1 3.16Å; R269-T282 PolarHBondContact NH1-OG1 3.31Å; R269-K526 HydrophobicContact CB-CB 4.11Å; R269-K526 HydrophobicContact CB-CD 4.19Å; R269-K526 HydrophobicContact CB-CG 4.1Å; R269-K526 HydrophobicContact CG-CD 4.02Å; R269-K526 HydrophobicContact CG-CG 4.13Å; R269-D531 WeakPolarHBondContact CG-OD1 3.28Å; R269-D531 IonicContact CZ-OD1 3.4Å; R269-D531 IonicContact CZ-OD2 3.71Å; R269-D531 IonicContact NE-OD1 3.99Å; R269-D531 PolarHBondContact NE-OD1 3.42Å; R269-D531 IonicContact NE-OD2 2.7Å; R269-D531 PolarHBondContact NE-OD2 3.22Å; R269-D531 IonicContact NH2-OD1 2.65Å; R269-D531 IonicContact NH2-OD2 3.87Å; R269-D531 PolarHBondContact NH2-OD2 3.39Å
270	I	92.3	Very high	89.7	Confident	4 Å²	4	49 Å²	49	2%	0.021	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	131.1	170.3	-54.6	176.6	0	0	0	107.7	R281 W283 W374 V433	I270-R281 PolarHBondContact N-O 2.95Å; I270-R281 PolarHBondContact O-N 2.85Å; I270-W283 HydrophobicContact CD1-CB 3.98Å; I270-W283 HydrophobicContact CD1-CD2 4.13Å; I270-W283 HydrophobicContact CD1-CE3 4.28Å; I270-W283 HydrophobicContact CD1-CG 4.01Å; I270-W283 HydrophobicContact CG1-CB 4.27Å; I270-W374 HydrophobicContact CG2-CB 3.99Å; I270-V433 HydrophobicContact CG2-CG1 3.72Å; I270-V433 HydrophobicContact CG2-CG2 4.11Å
271	Y	93.2	Very high	89.2	Confident	10 Å²	10	48.4 Å²	48.4	4%	0.039	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	151.5	-177.1	-59.4	-84	0	0	0	110.8	R269 I278 G279 A280 T395 T525 E532 R533	R269-Y271 HydrophobicContact CB-CE2 4.11Å; Y271-I278 HydrophobicContact CD1-CG2 3.8Å; Y271-I278 HydrophobicContact CG-CG2 4.34Å; Y271-G279 CarbonylContact C-O 3.57Å; Y271-G279 VanDerWaalsContact CA-O 3.29Å; Y271-G279 WeakPolarHBondContact CA-O 3.41Å; Y271-A280 HydrophobicContact CD1-CB 3.81Å; Y271-A280 HydrophobicContact CE1-CB 3.66Å; Y271-T395 PolarHBondContact N-OG1 3.31Å; Y271-T395 WeakPolarHBondContact O-CG2 3.5Å; Y271-T395 PolarHBondContact O-OG1 3.09Å; Y271-T525 WeakPolarHBondContact CE2-O 3.43Å; Y271-E532 PolarHBondContact OH-O 3.4Å; Y271-E532 VanDerWaalsContact OH-O 3.12Å; Y271-R533 HydrophobicContact CD1-CB 4.49Å; Y271-R533 HydrophobicContact CD1-CG 4.14Å; Y271-R533 HydrophobicContact CE1-CB 3.76Å; Y271-R533 HydrophobicContact CE1-CG 3.85Å; Y271-R533 HydrophobicContact CE2-CG 4.26Å; Y271-R533 HydrophobicContact CG-CG 4.47Å; Y271-R533 WeakPolarHBondContact OH-CA 3.44Å; Y271-R533 PolarHBondContact OH-N 3.15Å
272	Y	86.8	Confident	88.9	Confident	103 Å²	103	50.8 Å²	50.8	40%	0.404	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	175.7	-176.9	69.8	-87.9	0	0	0	111.1	G279 R281	Y272-G279 PolarHBondContact N-O 2.92Å; Y272-G279 PolarHBondContact O-N 2.89Å; Y272-R281 HydrophobicContact CD1-CB 4.22Å; Y272-R281 HydrophobicContact CE1-CB 4.05Å
273	G	80.3	Confident	88.6	Confident	24 Å²	24	50.5 Å²	50.5	25%	0.247	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	104.8	-116.8	175.7	0	0	0	0	0	111.8	F431	G273-F431 WeakPolarHBondContact O-CD1 3.39Å
274	T	78.1	Confident	88.2	Confident	50 Å²	50	54 Å²	54	31%	0.307	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	161.1	176.6	63.2	0	0	0	0	110.6	K276 Q277 I278 F397	T274-K276 PolarHBondContact O-N 3.02Å; T274-Q277 PolarHBondContact N-O 2.9Å; T274-Q277 CarbonylContact O-C 3.51Å; T274-Q277 PolarHBondContact O-N 2.94Å; T274-Q277 PolarHBondContact OG1-N 3.18Å; T274-I278 WeakPolarHBondContact O-CG1 3.27Å; T274-I278 PolarHBondContact O-N 2.93Å; T274-F397 VanDerWaalsContact C-CD1 3.43Å
275	E	76.9	Confident	88.2	Confident	48 Å²	48	52.5 Å²	52.5	22%	0.224	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-32.6	174.5	76.4	-160.4	-152.8	0	0	113.7	F397 Q398 H521	E275-F397 HydrophobicContact CB-CB 4.07Å; E275-Q398 WeakPolarHBondContact OE2-CG 3.37Å; E275-Q398 PolarHBondContact OE2-NE2 3.14Å; E275-H521 HydrophobicContact CB-CB 4.18Å
276	K	77.3	Confident	87.8	Confident	167 Å²	167	50.7 Å²	50.7	73%	0.726	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-15.5	-176.9	-57.3	-170.8	175.1	76	0	112.9	T274	T274-K276 PolarHBondContact O-N 3.02Å
277	Q	81.6	Confident	88.1	Confident	155 Å²	155	47.4 Å²	47.4	72%	0.724	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-145.7	73.8	-177.4	-65.1	-172.7	-5.3	0	0	108.8	T274 G279	T274-Q277 PolarHBondContact N-O 2.9Å; T274-Q277 CarbonylContact O-C 3.51Å; T274-Q277 PolarHBondContact O-N 2.94Å; T274-Q277 PolarHBondContact OG1-N 3.18Å; Q277-G279 PolarHBondContact O-N 2.78Å
278	I	87.4	Confident	88.3	Confident	54 Å²	54	46.1 Å²	46.1	28%	0.277	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	114.1	179.4	-62.2	179	0	0	0	109	Y271 T274 F397 C522	Y271-I278 HydrophobicContact CD1-CG2 3.8Å; Y271-I278 HydrophobicContact CG-CG2 4.34Å; T274-I278 WeakPolarHBondContact O-CG1 3.27Å; T274-I278 PolarHBondContact O-N 2.93Å; I278-F397 HydrophobicContact CB-CZ 4.3Å; I278-F397 HydrophobicContact CD1-CD2 4.46Å; I278-F397 HydrophobicContact CD1-CE2 3.9Å; I278-F397 HydrophobicContact CD1-CZ 4.19Å; I278-F397 HydrophobicContact CG1-CE1 4.24Å; I278-F397 HydrophobicContact CG1-CE2 3.99Å; I278-F397 HydrophobicContact CG1-CZ 3.76Å; I278-F397 HydrophobicContact CG2-CE2 4.45Å; I278-F397 HydrophobicContact CG2-CZ 3.94Å; I278-C522 HydrophobicContact CD1-CB 4.02Å
279	G	83.2	Confident	88.4	Confident	19 Å²	19	50.4 Å²	50.4	20%	0.196	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	158.2	166.8	0	0	0	0	0	111.5	Y271 Y272 Q277	Y271-G279 CarbonylContact C-O 3.57Å; Y271-G279 VanDerWaalsContact CA-O 3.29Å; Y271-G279 WeakPolarHBondContact CA-O 3.41Å; Y272-G279 PolarHBondContact N-O 2.92Å; Y272-G279 PolarHBondContact O-N 2.89Å; Q277-G279 PolarHBondContact O-N 2.78Å
280	A	90.5	Very high	88.4	Confident	45 Å²	45	52.3 Å²	52.3	37%	0.372	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	134.9	176.4	0	0	0	0	0	110.8	Y271	Y271-A280 HydrophobicContact CD1-CB 3.81Å; Y271-A280 HydrophobicContact CE1-CB 3.66Å
281	R	88.3	Confident	88.5	Confident	69 Å²	69	53.2 Å²	53.2	26%	0.26	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.7	176	176.3	-175.4	-69.2	-120.2	-2.1	108.9	R269 I270 Y272 A348 W350	R269-R281 WeakPolarHBondContact CA-O 3.46Å; I270-R281 PolarHBondContact N-O 2.95Å; I270-R281 PolarHBondContact O-N 2.85Å; Y272-R281 HydrophobicContact CD1-CB 4.22Å; Y272-R281 HydrophobicContact CE1-CB 4.05Å; R281-A348 PolarHBondContact NH1-O 2.8Å; R281-A348 PolarHBondContact NH2-O 3.25Å; R281-W350 PolarHBondContact NH1-O 2.99Å
282	T	91.7	Very high	88.7	Confident	58 Å²	58	52.7 Å²	52.7	36%	0.356	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	136.6	167.6	-51.4	0	0	0	0	109.8	T267 G268 R269	T267-T282 HydrophobicContact CG2-CG2 3.77Å; G268-T282 CarbonylContact O-C 3.58Å; G268-T282 WeakPolarHBondContact O-CA 3.42Å; R269-T282 VanDerWaalsContact CZ-OG1 3.26Å; R269-T282 PolarHBondContact NE-OG1 3.16Å; R269-T282 PolarHBondContact NH1-OG1 3.31Å
283	W	93.1	Very high	89.2	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	128.3	178	-170.3	-85.9	0	0	0	110.7	T267 G268 I270 F285 W350 S353 V375	T267-W283 WeakPolarHBondContact CA-O 3.2Å; G268-W283 PolarHBondContact N-O 2.83Å; G268-W283 PolarHBondContact O-N 2.91Å; I270-W283 HydrophobicContact CD1-CB 3.98Å; I270-W283 HydrophobicContact CD1-CD2 4.13Å; I270-W283 HydrophobicContact CD1-CE3 4.28Å; I270-W283 HydrophobicContact CD1-CG 4.01Å; I270-W283 HydrophobicContact CG1-CB 4.27Å; W283-F285 AromaticContact CD1-CD1 3.48Å; W283-F285 VanDerWaalsContact CD1-CD1 3.48Å; W283-F285 AromaticContact CD1-CE1 3.7Å; W283-F285 HydrophobicContact CG-CE1 4.46Å; W283-F285 PolarHBondContact O-N 2.89Å; W283-W350 HydrophobicContact CH2-CB 3.53Å; W283-W350 HydrophobicContact CZ3-CB 3.83Å; W283-W350 WeakPolarHBondContact CZ3-O 3.44Å; W283-S353 PolarHBondContact NE1-OG 2.77Å; W283-V375 HydrophobicContact CH2-CB 4.44Å; W283-V375 HydrophobicContact CH2-CG1 4.11Å; W283-V375 HydrophobicContact CH2-CG2 4.49Å
284	N	90.1	Very high	90	Very high	74 Å²	74	51.5 Å²	51.5	40%	0.396	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	100.5	176.7	-57.4	7.8	0	0	0	108.1	D266 S351 S352 S353	D266-N284 CarbonylContact O-C 3.52Å; N284-S351 PolarHBondContact N-O 3.08Å; N284-S352 WeakPolarHBondContact O-CA 3.49Å; N284-S352 WeakPolarHBondContact O-CB 3.42Å; N284-S352 PolarHBondContact O-OG 3.42Å; N284-S353 PolarHBondContact O-N 3.1Å
285	F	96.3	Very high	91	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.018	26%	0.255	C	S	.	.			trans	-61.7	-54	172.9	-54.6	-60.7	0	0	0	109.5	D266 W283 G378 T381 T382	D266-F285 WeakPolarHBondContact O-CA 3.4Å; D266-F285 WeakPolarHBondContact O-CB 3.38Å; D266-F285 PolarHBondContact O-N 2.77Å; W283-F285 AromaticContact CD1-CD1 3.48Å; W283-F285 VanDerWaalsContact CD1-CD1 3.48Å; W283-F285 AromaticContact CD1-CE1 3.7Å; W283-F285 HydrophobicContact CG-CE1 4.46Å; W283-F285 PolarHBondContact O-N 2.89Å; F285-G378 WeakPolarHBondContact CD1-O 3.47Å; F285-T381 HydrophobicContact CD1-CG2 3.79Å; F285-T381 HydrophobicContact CD2-CG2 4.25Å; F285-T381 HydrophobicContact CE1-CG2 3.49Å; F285-T381 VanDerWaalsContact CE1-CG2 3.49Å; F285-T381 HydrophobicContact CE2-CG2 3.96Å; F285-T381 HydrophobicContact CG-CG2 4.18Å; F285-T381 HydrophobicContact CZ-CG2 3.58Å; F285-T382 WeakPolarHBondContact CA-OG1 3.23Å; F285-T382 HydrophobicContact CB-CG2 4.31Å; F285-T382 WeakPolarHBondContact CB-OG1 3.43Å; F285-T382 WeakPolarHBondContact O-CG2 3.48Å
286	G	89.3	Confident	92	Very high	7 Å²	7	46.9 Å²	46.9	7%	0.072	25%	0.245	C	C	.	.			trans	67.2	33.2	172.9	0	0	0	0	0	114.4	D266 F288 H289	D266-G286 PolarHBondContact O-N 2.93Å; G286-F288 PolarHBondContact O-N 2.82Å; G286-F288 VanDerWaalsContact O-N 3.08Å; G286-H289 WeakPolarHBondContact O-CB 3.31Å; G286-H289 PolarHBondContact O-N 2.99Å
287	Q	97.5	Very high	93	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-26.6	-175.9	60.7	-85.6	19.3	0	0	114.5	V263 N265 T382 R385 C386	V263-Q287 PolarHBondContact O-NE2 3.01Å; N265-Q287 PolarHBondContact O-NE2 2.9Å; Q287-T382 HydrophobicContact CB-CG2 4.15Å; Q287-R385 HydrophobicContact CB-CB 4.37Å; Q287-R385 HydrophobicContact CG-CB 3.95Å; Q287-C386 HydrophobicContact CB-CB 3.75Å; Q287-C386 PolarHBondContact O-SG 2.92Å
288	F	95.7	Very high	93.7	Very high	16 Å²	16	33.5 Å²	33.5	7%	0.07	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-7.3	179.5	-53.2	-61.1	0	0	0	114.1	L126 Y127 H128 L264 D266 G286	L126-F288 HydrophobicContact CB-CB 4.13Å; L126-F288 HydrophobicContact CB-CD1 3.83Å; L126-F288 HydrophobicContact CB-CD2 4.01Å; L126-F288 HydrophobicContact CB-CE1 4.3Å; L126-F288 HydrophobicContact CB-CE2 4.46Å; L126-F288 HydrophobicContact CB-CG 3.69Å; L126-F288 HydrophobicContact CD1-CD2 4.03Å; L126-F288 HydrophobicContact CD1-CE2 3.83Å; L126-F288 HydrophobicContact CD1-CZ 4.14Å; Y127-F288 AromaticContact CD1-CD1 3.71Å; Y127-F288 HydrophobicContact CD1-CD1 3.71Å; Y127-F288 HydrophobicContact CD1-CE1 4.44Å; Y127-F288 AromaticContact CD2-CD1 3.79Å; Y127-F288 HydrophobicContact CD2-CD1 3.79Å; Y127-F288 HydrophobicContact CD2-CE1 4.08Å; Y127-F288 AromaticContact CE1-CD1 3.64Å; Y127-F288 HydrophobicContact CE1-CD1 3.64Å; Y127-F288 AromaticContact CE1-CE1 3.99Å; Y127-F288 HydrophobicContact CE1-CE1 3.99Å; Y127-F288 AromaticContact CE2-CD1 3.76Å; Y127-F288 HydrophobicContact CE2-CD1 3.76Å; Y127-F288 AromaticContact CE2-CE1 3.61Å; Y127-F288 HydrophobicContact CE2-CE1 3.61Å; Y127-F288 AromaticContact CG-CD1 3.76Å; Y127-F288 HydrophobicContact CG-CD1 3.76Å; Y127-F288 HydrophobicContact CG-CE1 4.47Å; Y127-F288 AromaticContact CZ-CD1 3.66Å; Y127-F288 AromaticContact CZ-CE1 3.54Å; H128-F288 PolarHBondContact N-O 2.75Å; L264-F288 HydrophobicContact CD2-CZ 4.14Å; L264-F288 WeakPolarHBondContact O-CE2 3.46Å; D266-F288 HydrophobicContact CB-CD2 4.14Å; D266-F288 HydrophobicContact CB-CE2 4.4Å; G286-F288 PolarHBondContact O-N 2.82Å; G286-F288 VanDerWaalsContact O-N 3.08Å
289	H	94.1	Very high	94.2	Very high	92 Å²	92	31 Å²	31	43%	0.426	17%	0.171	S	C	.	.	S	Bend	trans	-68.2	145.7	-175.6	-159.4	-60.4	0	0	0	111.4	G286 G291 I292 V354 R358	G286-H289 WeakPolarHBondContact O-CB 3.31Å; G286-H289 PolarHBondContact O-N 2.99Å; H289-G291 PolarHBondContact O-N 2.86Å; H289-I292 HydrophobicContact CB-CG1 3.97Å; H289-I292 VanDerWaalsContact O-CB 3.3Å; H289-I292 WeakPolarHBondContact O-CB 3.45Å; H289-I292 WeakPolarHBondContact O-CG1 3.29Å; H289-I292 PolarHBondContact O-N 3.09Å; H289-V354 HydrophobicContact CB-CG1 4.31Å; H289-V354 HydrophobicContact CB-CG2 4.25Å; H289-R358 PolarHBondContact CE1-NH2 2.78Å; H289-R358 PolarHBondContact ND1-NH2 2.7Å
290	E	93.1	Very high	94.8	Very high	100 Å²	100	30 Å²	30	47%	0.467	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-41.1	127.4	175.3	172.5	-161.6	-141.1	0	0	112.6	H128 I292 R358	H128-E290 HydrophobicContact CB-CB 3.96Å; E290-I292 VanDerWaalsContact C-N 3.3Å; E290-I292 PolarHBondContact O-N 2.98Å; E290-R358 VanDerWaalsContact CB-NH2 3.34Å; E290-R358 VanDerWaalsContact O-CZ 3.27Å; E290-R358 PolarHBondContact O-NE 3.33Å; E290-R358 PolarHBondContact O-NH2 3.23Å; E290-R358 IonicContact OE2-CZ 2.79Å; E290-R358 IonicContact OE2-NH2 3.52Å; E290-R358 PolarHBondContact OE2-NH2 3.03Å
291	G	93.3	Very high	95	Very high	22 Å²	22	33 Å²	33	23%	0.227	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	-3.1	177.5	0	0	0	0	0	116.3	H289 D294 A295	H289-G291 PolarHBondContact O-N 2.86Å; G291-D294 WeakPolarHBondContact CA-OD2 3.47Å; G291-A295 WeakPolarHBondContact O-CB 3.15Å; G291-A295 PolarHBondContact O-N 2.9Å
292	I	97.9	Very high	95.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-82.8	-38.5	-178.1	-60.4	-60.1	0	0	0	112.2	H289 E290 D294 A295 C296 V354 L357 R358 T382	H289-I292 HydrophobicContact CB-CG1 3.97Å; H289-I292 VanDerWaalsContact O-CB 3.3Å; H289-I292 WeakPolarHBondContact O-CB 3.45Å; H289-I292 WeakPolarHBondContact O-CG1 3.29Å; H289-I292 PolarHBondContact O-N 3.09Å; E290-I292 VanDerWaalsContact C-N 3.3Å; E290-I292 PolarHBondContact O-N 2.98Å; I292-D294 VanDerWaalsContact C-N 3.35Å; I292-D294 PolarHBondContact O-N 2.81Å; I292-A295 PolarHBondContact O-N 3.21Å; I292-C296 PolarHBondContact O-N 2.97Å; I292-C296 PolarHBondContact O-SG 3.17Å; I292-V354 HydrophobicContact CD1-CB 4.28Å; I292-V354 HydrophobicContact CD1-CG1 4.09Å; I292-V354 HydrophobicContact CD1-CG2 4.44Å; I292-V354 HydrophobicContact CG1-CG1 4.39Å; I292-V354 HydrophobicContact CG1-CG2 4.44Å; I292-L357 HydrophobicContact CD1-CB 3.86Å; I292-L357 HydrophobicContact CD1-CD1 4.39Å; I292-L357 HydrophobicContact CG2-CD1 4.01Å; I292-R358 HydrophobicContact CD1-CG 3.99Å; I292-T382 HydrophobicContact CG2-CG2 4.22Å
293	L	97.9	Very high	95.3	Very high	16 Å²	16	31.9 Å²	31.9	8%	0.084	16%	0.162	C	C	.	.	H	α-helix	trans	-60.5	-46	172.6	178.7	56.6	0	0	0	111.4	Y127 I133 V239 L241 A295 C296 L297 C386	Y127-L293 HydrophobicContact CD1-CB 4.36Å; Y127-L293 HydrophobicContact CD1-CD2 4.22Å; Y127-L293 HydrophobicContact CE1-CD2 4.49Å; I133-L293 HydrophobicContact CD1-CD2 3.5Å; I133-L293 VanDerWaalsContact CD1-CD2 3.5Å; I133-L293 HydrophobicContact CG1-CD2 3.98Å; I133-L293 HydrophobicContact CG2-CD2 4.29Å; V239-L293 HydrophobicContact CG1-CD1 4.47Å; V239-L293 HydrophobicContact CG1-CD2 4.23Å; L241-L293 HydrophobicContact CD2-CD1 4.08Å; L293-A295 VanDerWaalsContact C-N 3.31Å; L293-A295 PolarHBondContact O-N 2.93Å; L293-C296 WeakPolarHBondContact O-CB 3.41Å; L293-C296 PolarHBondContact O-N 3.08Å; L293-C296 VanDerWaalsContact O-N 3.1Å; L293-L297 HydrophobicContact CD1-CD1 4.38Å; L293-L297 HydrophobicContact CD1-CG 4.24Å; L293-L297 HydrophobicContact CG-CD1 4.36Å; L293-L297 WeakPolarHBondContact O-CG 3.49Å; L293-L297 PolarHBondContact O-N 3.04Å; L293-C386 VanDerWaalsContact CA-SG 3.54Å
294	D	97.1	Very high	95	Very high	86 Å²	86	40 Å²	40	46%	0.46	21%	0.205	S	C	.	.	H	α-helix	trans	-59.4	-42.6	175.8	-43.6	-52	0	0	0	111.4	G291 I292 C296 L297 F298	G291-D294 WeakPolarHBondContact CA-OD2 3.47Å; I292-D294 VanDerWaalsContact C-N 3.35Å; I292-D294 PolarHBondContact O-N 2.81Å; D294-C296 VanDerWaalsContact C-N 3.33Å; D294-C296 PolarHBondContact O-N 3.05Å; D294-L297 PolarHBondContact O-N 3Å; D294-F298 WeakPolarHBondContact O-CB 3.44Å; D294-F298 PolarHBondContact O-N 2.83Å
295	A	98.3	Very high	95.1	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-63.6	-36.4	175.8	0	0	0	0	0	112.7	G291 I292 L293 I299 L357 H361	G291-A295 WeakPolarHBondContact O-CB 3.15Å; G291-A295 PolarHBondContact O-N 2.9Å; I292-A295 PolarHBondContact O-N 3.21Å; L293-A295 VanDerWaalsContact C-N 3.31Å; L293-A295 PolarHBondContact O-N 2.93Å; A295-I299 WeakPolarHBondContact O-CD1 3.49Å; A295-I299 VanDerWaalsContact O-CG1 3.28Å; A295-I299 WeakPolarHBondContact O-CG1 3.09Å; A295-I299 PolarHBondContact O-N 3.22Å; A295-I299 VanDerWaalsContact O-N 3.08Å; A295-L357 HydrophobicContact CB-CB 4.11Å; A295-H361 HydrophobicContact CB-CB 3.75Å
296	C	98.4	Very high	95	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-70.3	-40.8	176.1	-64.7	0	0	0	0	112.2	I292 L293 D294 I299 L300 V383 C386 L387	I292-C296 PolarHBondContact O-N 2.97Å; I292-C296 PolarHBondContact O-SG 3.17Å; L293-C296 WeakPolarHBondContact O-CB 3.41Å; L293-C296 PolarHBondContact O-N 3.08Å; L293-C296 VanDerWaalsContact O-N 3.1Å; D294-C296 VanDerWaalsContact C-N 3.33Å; D294-C296 PolarHBondContact O-N 3.05Å; C296-I299 PolarHBondContact O-N 3.34Å; C296-L300 PolarHBondContact O-N 3.27Å; C296-V383 HydrophobicContact CB-CG1 4.25Å; C296-C386 HydrophobicContact CB-CB 4.28Å; C296-C386 VanDerWaalsContact SG-CB 3.54Å; C296-C386 VanDerWaalsContact SG-SG 3.62Å; C296-L387 HydrophobicContact CB-CD2 4.23Å; C296-L387 HydrophobicContact CB-CG 4.48Å
297	L	97.4	Very high	95.2	Very high	11 Å²	11	41.9 Å²	41.9	6%	0.058	22%	0.219	C	C	.	.	H	α-helix	trans	-66.4	-42.7	174	-65.7	180	0	0	0	111.3	L214 V239 L293 D294 I299 L300 E301 L387	L214-L297 HydrophobicContact CB-CD1 4.38Å; V239-L297 HydrophobicContact CG1-CD1 4.19Å; V239-L297 HydrophobicContact CG2-CD1 4.37Å; L293-L297 HydrophobicContact CD1-CD1 4.38Å; L293-L297 HydrophobicContact CD1-CG 4.24Å; L293-L297 HydrophobicContact CG-CD1 4.36Å; L293-L297 WeakPolarHBondContact O-CG 3.49Å; L293-L297 PolarHBondContact O-N 3.04Å; D294-L297 PolarHBondContact O-N 3Å; L297-I299 VanDerWaalsContact C-N 3.28Å; L297-I299 PolarHBondContact O-N 3.19Å; L297-L300 WeakPolarHBondContact O-CA 3.44Å; L297-L300 WeakPolarHBondContact O-CB 3.42Å; L297-L300 PolarHBondContact O-N 2.78Å; L297-E301 WeakPolarHBondContact O-CG 3.26Å; L297-E301 PolarHBondContact O-N 3.3Å; L297-L387 HydrophobicContact CD2-CD2 4.14Å
298	F	97.4	Very high	95	Very high	30 Å²	30	44.1 Å²	44.1	13%	0.132	24%	0.235	C	C	.	.	H	α-helix	trans	-58.7	-35.6	175	-179.3	-105.3	0	0	0	112.9	D294 E301 K302 Y360 H361 T364	D294-F298 WeakPolarHBondContact O-CB 3.44Å; D294-F298 PolarHBondContact O-N 2.83Å; F298-E301 PolarHBondContact O-N 3.15Å; F298-K302 HydrophobicContact CD1-CG 4.17Å; F298-K302 HydrophobicContact CE1-CD 4.5Å; F298-K302 HydrophobicContact CE1-CG 3.85Å; F298-K302 HydrophobicContact CE2-CG 4.23Å; F298-K302 HydrophobicContact CZ-CD 4.17Å; F298-K302 HydrophobicContact CZ-CG 3.9Å; F298-K302 WeakPolarHBondContact O-CB 3.44Å; F298-K302 WeakPolarHBondContact O-CG 3.08Å; F298-K302 PolarHBondContact O-N 3.25Å; F298-Y360 HydrophobicContact CD1-CD1 4.31Å; F298-Y360 HydrophobicContact CD1-CE1 4.15Å; F298-Y360 HydrophobicContact CE1-CD1 4.27Å; F298-Y360 HydrophobicContact CE1-CE1 4.01Å; F298-H361 AromaticContact CD1-CD2 3.85Å; F298-H361 AromaticContact CD2-CD2 4Å; F298-H361 AromaticContact CG-CD2 3.7Å; F298-T364 HydrophobicContact CZ-CG2 4.31Å
299	I	97.8	Very high	95	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.7	-42.9	172.3	-75.8	162	0	0	0	111.3	A295 C296 L297 E301 K302 S303 M323 I324 V332 L357 Y360 V383	A295-I299 WeakPolarHBondContact O-CD1 3.49Å; A295-I299 VanDerWaalsContact O-CG1 3.28Å; A295-I299 WeakPolarHBondContact O-CG1 3.09Å; A295-I299 PolarHBondContact O-N 3.22Å; A295-I299 VanDerWaalsContact O-N 3.08Å; C296-I299 PolarHBondContact O-N 3.34Å; L297-I299 VanDerWaalsContact C-N 3.28Å; L297-I299 PolarHBondContact O-N 3.19Å; I299-E301 VanDerWaalsContact C-N 3.29Å; I299-E301 PolarHBondContact O-N 3.44Å; I299-K302 PolarHBondContact O-N 3.26Å; I299-S303 PolarHBondContact O-N 3.44Å; I299-M323 HydrophobicContact CG2-CB 3.73Å; I299-M323 HydrophobicContact CG2-CG 4.32Å; I299-I324 HydrophobicContact CD1-CD1 4.39Å; I299-V332 HydrophobicContact CD1-CG2 3.55Å; I299-V332 HydrophobicContact CG1-CG2 3.88Å; I299-L357 HydrophobicContact CD1-CD2 3.66Å; I299-Y360 HydrophobicContact CG1-CD1 4.34Å; I299-Y360 HydrophobicContact CG1-CE1 4.1Å; I299-V383 HydrophobicContact CD1-CG2 4.03Å
300	L	96.3	Very high	95.1	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-70.5	-23.9	176	-57.5	178.8	0	0	0	113	I212 C296 L297 S303 R310 V316 V320 L387	I212-L300 HydrophobicContact CD1-CD1 4.05Å; C296-L300 PolarHBondContact O-N 3.27Å; L297-L300 WeakPolarHBondContact O-CA 3.44Å; L297-L300 WeakPolarHBondContact O-CB 3.42Å; L297-L300 PolarHBondContact O-N 2.78Å; L300-S303 PolarHBondContact O-OG 2.82Å; L300-R310 PolarHBondContact O-NH2 2.82Å; L300-V316 HydrophobicContact CD2-CG1 4.23Å; L300-V320 HydrophobicContact CD2-CG2 4.29Å; L300-L387 HydrophobicContact CD1-CD1 3.93Å; L300-L387 HydrophobicContact CD1-CD2 4.06Å; L300-L387 HydrophobicContact CD2-CD1 4.45Å; L300-L387 HydrophobicContact CG-CD1 4.42Å
301	E	94.1	Very high	95.3	Very high	107 Å²	107	35.9 Å²	35.9	50%	0.5	20%	0.204	S	C	.	.	H	α-helix	trans	-84.7	-26.6	175.3	-70.7	178.8	173.8	0	0	113.9	L297 F298 I299	L297-E301 WeakPolarHBondContact O-CG 3.26Å; L297-E301 PolarHBondContact O-N 3.3Å; F298-E301 PolarHBondContact O-N 3.15Å; I299-E301 VanDerWaalsContact C-N 3.29Å; I299-E301 PolarHBondContact O-N 3.44Å
302	K	94.1	Very high	95.5	Very high	92 Å²	92	37.7 Å²	37.7	40%	0.4	21%	0.208	S	C	.	.	H	α-helix	trans	-76.8	-25.2	171.4	-78.9	-70.7	-166.9	158.7	0	113.3	F298 I299 M323 T364	F298-K302 HydrophobicContact CD1-CG 4.17Å; F298-K302 HydrophobicContact CE1-CD 4.5Å; F298-K302 HydrophobicContact CE1-CG 3.85Å; F298-K302 HydrophobicContact CE2-CG 4.23Å; F298-K302 HydrophobicContact CZ-CD 4.17Å; F298-K302 HydrophobicContact CZ-CG 3.9Å; F298-K302 WeakPolarHBondContact O-CB 3.44Å; F298-K302 WeakPolarHBondContact O-CG 3.08Å; F298-K302 PolarHBondContact O-N 3.25Å; I299-K302 PolarHBondContact O-N 3.26Å; K302-M323 HydrophobicContact CB-CE 3.72Å; K302-T364 VanDerWaalsContact CE-O 3.28Å; K302-T364 WeakPolarHBondContact CE-O 3.19Å; K302-T364 PolarHBondContact NZ-O 3.21Å
303	S	92.1	Very high	95.5	Very high	12 Å²	12	37.7 Å²	37.7	8%	0.084	21%	0.208	C	C	.	.	S	Bend	trans	-71	152.7	175.3	79.6	0	0	0	0	112.9	I299 L300 M305 V319	I299-S303 PolarHBondContact O-N 3.44Å; L300-S303 PolarHBondContact O-OG 2.82Å; S303-M305 PolarHBondContact O-N 3.32Å; S303-M305 WeakPolarHBondContact OG-CB 3.33Å; S303-M305 PolarHBondContact OG-N 3.1Å; S303-V319 WeakPolarHBondContact OG-CG1 3.29Å
304	D	87.6	Confident	95.5	Very high	170 Å²	170	37.2 Å²	37.2	91%	0.909	21%	0.206	S	C	*	.	S	Bend	trans	-67.2	7.2	169.6	-93.2	-5.5	0	0	0	113.9	P306	D304-P306 WeakPolarHBondContact O-CD 3.35Å
305	M	91.9	Very high	95.5	Very high	20 Å²	20	36.4 Å²	36.4	10%	0.099	20%	0.202	C	C	.	.			trans	-72.5	122.3	179.6	-165.6	-158.1	-73.7	0	0	111.6	S303 R310 N315 V316 V319	S303-M305 PolarHBondContact O-N 3.32Å; S303-M305 WeakPolarHBondContact OG-CB 3.33Å; S303-M305 PolarHBondContact OG-N 3.1Å; M305-R310 HydrophobicContact SD-CB 4.28Å; M305-R310 HydrophobicContact SD-CG 3.53Å; M305-R310 VanDerWaalsContact SD-CG 3.53Å; M305-N315 VanDerWaalsContact CE-C 3.47Å; M305-N315 HydrophobicContact CE-CB 3.99Å; M305-N315 VanDerWaalsContact CE-O 3.29Å; M305-N315 WeakPolarHBondContact CE-O 3.5Å; M305-V316 HydrophobicContact CE-CG2 4.16Å; M305-V319 HydrophobicContact CB-CG1 4.49Å; M305-V319 HydrophobicContact CB-CG2 4.32Å; M305-V319 HydrophobicContact CE-CB 3.74Å; M305-V319 HydrophobicContact CE-CG1 4.22Å; M305-V319 HydrophobicContact CE-CG2 3.56Å
306	P	93	Very high	95.5	Very high	80 Å²	80	36.3 Å²	36.3	52%	0.519	20%	0.201	S	C	.	.			trans	-63.5	138.7	169.6	27.8	-34.3	0	0	0	109.9	D304 S308 G309	D304-P306 WeakPolarHBondContact O-CD 3.35Å; P306-S308 PolarHBondContact O-N 3.42Å; P306-G309 PolarHBondContact O-N 2.93Å
307	P	94.3	Very high	95.4	Very high	25 Å²	25	36.3 Å²	36.3	16%	0.162	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-54	-29.7	-175	-30.3	35.9	0	0	0	115.2	T173 V211 G309 R310	T173-P307 HydrophobicContact CG2-CB 3.95Å; V211-P307 VanDerWaalsContact CG1-O 3.3Å; V211-P307 WeakPolarHBondContact CG1-O 3.31Å; P307-G309 PolarHBondContact O-N 2.96Å; P307-R310 WeakPolarHBondContact O-CB 3.3Å; P307-R310 WeakPolarHBondContact O-CG 3.49Å; P307-R310 PolarHBondContact O-N 2.62Å
308	S	94.3	Very high	95.4	Very high	46 Å²	46	36.7 Å²	36.7	32%	0.322	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-63.4	-18.2	174.5	63	0	0	0	0	114.8	K171 P306 R310	K171-S308 WeakPolarHBondContact O-CB 3.2Å; P306-S308 PolarHBondContact O-N 3.42Å; S308-R310 VanDerWaalsContact C-N 3.34Å
309	G	94.8	Very high	95.4	Very high	14 Å²	14	36.6 Å²	36.6	14%	0.144	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-78.6	-16.4	173.8	0	0	0	0	0	113.6	P306 P307 G311 D312	P306-G309 PolarHBondContact O-N 2.93Å; P307-G309 PolarHBondContact O-N 2.96Å; G309-G311 PolarHBondContact O-N 2.8Å; G309-D312 PolarHBondContact O-N 2.58Å
310	R	96.6	Very high	95.4	Very high	8 Å²	8	36.6 Å²	36.6	3%	0.03	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-10.2	-174	-57.3	173.8	-179.1	177.3	-3	113.7	V211 I212 F242 L300 M305 P307 S308 D312 V316	V211-R310 HydrophobicContact CG1-CB 4.29Å; I212-R310 HydrophobicContact CG1-CB 4.17Å; I212-R310 WeakPolarHBondContact CG1-O 3.32Å; F242-R310 WeakPolarHBondContact CZ-O 3.25Å; L300-R310 PolarHBondContact O-NH2 2.82Å; M305-R310 HydrophobicContact SD-CB 4.28Å; M305-R310 HydrophobicContact SD-CG 3.53Å; M305-R310 VanDerWaalsContact SD-CG 3.53Å; P307-R310 WeakPolarHBondContact O-CB 3.3Å; P307-R310 WeakPolarHBondContact O-CG 3.49Å; P307-R310 PolarHBondContact O-N 2.62Å; S308-R310 VanDerWaalsContact C-N 3.34Å; R310-D312 VanDerWaalsContact C-N 3.28Å; R310-V316 HydrophobicContact CB-CG2 4.38Å; R310-V316 WeakPolarHBondContact O-CG2 3.39Å
311	G	96.4	Very high	95.4	Very high	14 Å²	14	36.6 Å²	36.6	14%	0.144	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-8.3	172.2	0	0	0	0	0	114.6	R136 G309	R136-G311 PolarHBondContact NH1-O 3.1Å; G309-G311 PolarHBondContact O-N 2.8Å
312	D	97.6	Very high	95.5	Very high	59 Å²	59	31.7 Å²	31.7	32%	0.316	18%	0.182	S	C	.	.			trans	-109.5	116.6	-179.6	177.3	-1.5	0	0	0	110.2	G309 R310 V314 N315 V316	G309-D312 PolarHBondContact O-N 2.58Å; R310-D312 VanDerWaalsContact C-N 3.28Å; D312-V314 PolarHBondContact O-N 2.86Å; D312-V314 VanDerWaalsContact OD1-CB 3.26Å; D312-V314 WeakPolarHBondContact OD1-CB 3.12Å; D312-V314 PolarHBondContact OD1-N 2.77Å; D312-N315 HydrophobicContact CB-CB 4.31Å; D312-N315 WeakPolarHBondContact CB-ND2 3.26Å; D312-N315 PolarHBondContact O-N 3.04Å; D312-N315 PolarHBondContact OD2-ND2 2.86Å; D312-V316 WeakPolarHBondContact O-CG2 3.22Å; D312-V316 PolarHBondContact O-N 3.3Å
313	P	98.1	Very high	95.6	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	16%	0.163	C	C	.	.	H	α-helix	trans	-65.3	-26	-178.9	29.6	-35.3	0	0	0	112.4	F242 T250 V251 N315 V316 V317 I389 M439	F242-P313 HydrophobicContact CE1-CB 3.88Å; F242-P313 HydrophobicContact CE1-CG 4.31Å; F242-P313 HydrophobicContact CZ-CB 4.1Å; T250-P313 VanDerWaalsContact OG1-CD 3.3Å; T250-P313 WeakPolarHBondContact OG1-CD 3.47Å; T250-P313 WeakPolarHBondContact OG1-CG 3.16Å; V251-P313 HydrophobicContact CG1-CB 3.81Å; V251-P313 HydrophobicContact CG1-CG 4.01Å; P313-N315 VanDerWaalsContact C-N 3.35Å; P313-V316 PolarHBondContact O-N 3.42Å; P313-V317 VanDerWaalsContact O-CB 3.25Å; P313-V317 WeakPolarHBondContact O-CB 3.33Å; P313-V317 VanDerWaalsContact O-CG2 3.31Å; P313-V317 WeakPolarHBondContact O-CG2 3.42Å; P313-V317 PolarHBondContact O-N 3.3Å; P313-I389 HydrophobicContact CB-CD1 4.07Å; P313-M439 HydrophobicContact CB-CB 4.46Å; P313-M439 HydrophobicContact CB-CE 4.06Å; P313-M439 HydrophobicContact CB-SD 4.24Å; P313-M439 HydrophobicContact CG-CB 4.14Å; P313-M439 HydrophobicContact CG-SD 4.22Å
314	V	97.8	Very high	95.9	Very high	6 Å²	6	26.9 Å²	26.9	4%	0.036	16%	0.159	C	C	.	.	H	α-helix	trans	-62.9	-44.5	175.9	-179.8	0	0	0	0	110	D312 R318 M439 P470	D312-V314 PolarHBondContact O-N 2.86Å; D312-V314 VanDerWaalsContact OD1-CB 3.26Å; D312-V314 WeakPolarHBondContact OD1-CB 3.12Å; D312-V314 PolarHBondContact OD1-N 2.77Å; V314-R318 VanDerWaalsContact O-CB 3.25Å; V314-R318 WeakPolarHBondContact O-CB 3.43Å; V314-R318 PolarHBondContact O-N 2.87Å; V314-R318 VanDerWaalsContact O-N 3.17Å; V314-M439 HydrophobicContact CB-SD 4.34Å; V314-M439 HydrophobicContact CG2-SD 3.58Å; V314-M439 VanDerWaalsContact CG2-SD 3.58Å; V314-P470 HydrophobicContact CB-CG 4.49Å; V314-P470 HydrophobicContact CG1-CG 3.83Å
315	N	96.4	Very high	96.2	Very high	68 Å²	68	18.9 Å²	18.9	36%	0.364	12%	0.116	S	C	.	.	H	α-helix	trans	-71.2	-43.4	177.4	-65.1	-42.1	0	0	0	111.7	M305 D312 P313 R318 V319	M305-N315 VanDerWaalsContact CE-C 3.47Å; M305-N315 HydrophobicContact CE-CB 3.99Å; M305-N315 VanDerWaalsContact CE-O 3.29Å; M305-N315 WeakPolarHBondContact CE-O 3.5Å; D312-N315 HydrophobicContact CB-CB 4.31Å; D312-N315 WeakPolarHBondContact CB-ND2 3.26Å; D312-N315 PolarHBondContact O-N 3.04Å; D312-N315 PolarHBondContact OD2-ND2 2.86Å; P313-N315 VanDerWaalsContact C-N 3.35Å; N315-R318 PolarHBondContact O-N 2.91Å; N315-V319 WeakPolarHBondContact O-CB 3.39Å; N315-V319 WeakPolarHBondContact O-CG2 3.47Å; N315-V319 PolarHBondContact O-N 3.35Å
316	V	98.3	Very high	96.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.9	-50.2	178.9	171.9	0	0	0	0	110.9	F242 L300 M305 R310 D312 P313 R318 V319 V320 L387 I389	F242-V316 HydrophobicContact CE2-CB 4.34Å; F242-V316 HydrophobicContact CE2-CG1 4.24Å; F242-V316 HydrophobicContact CE2-CG2 4.1Å; F242-V316 HydrophobicContact CZ-CB 4.38Å; F242-V316 HydrophobicContact CZ-CG2 3.97Å; L300-V316 HydrophobicContact CD2-CG1 4.23Å; M305-V316 HydrophobicContact CE-CG2 4.16Å; R310-V316 HydrophobicContact CB-CG2 4.38Å; R310-V316 WeakPolarHBondContact O-CG2 3.39Å; D312-V316 WeakPolarHBondContact O-CG2 3.22Å; D312-V316 PolarHBondContact O-N 3.3Å; P313-V316 PolarHBondContact O-N 3.42Å; V316-R318 PolarHBondContact O-N 3.49Å; V316-V319 PolarHBondContact O-N 3.47Å; V316-V320 HydrophobicContact CG1-CG2 4.37Å; V316-V320 WeakPolarHBondContact O-CG2 3.47Å; V316-V320 PolarHBondContact O-N 2.93Å; V316-L387 HydrophobicContact CG1-CD1 3.87Å; V316-I389 HydrophobicContact CB-CD1 4.39Å; V316-I389 HydrophobicContact CG1-CD1 4Å
317	V	98	Very high	96	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.8	-45	178.6	164.1	0	0	0	0	112	P313 V319 V320 S321 L384 I389 M439 V454 P470	P313-V317 VanDerWaalsContact O-CB 3.25Å; P313-V317 WeakPolarHBondContact O-CB 3.33Å; P313-V317 VanDerWaalsContact O-CG2 3.31Å; P313-V317 WeakPolarHBondContact O-CG2 3.42Å; P313-V317 PolarHBondContact O-N 3.3Å; V317-V319 VanDerWaalsContact C-N 3.26Å; V317-V319 PolarHBondContact O-N 2.94Å; V317-V320 PolarHBondContact O-N 2.83Å; V317-S321 PolarHBondContact O-N 3.06Å; V317-S321 PolarHBondContact O-OG 3.26Å; V317-L384 HydrophobicContact CG2-CD1 4.19Å; V317-L384 HydrophobicContact CG2-CD2 3.75Å; V317-I389 HydrophobicContact CG2-CD1 3.92Å; V317-I389 HydrophobicContact CG2-CG2 4.42Å; V317-M439 HydrophobicContact CB-CE 4.06Å; V317-M439 HydrophobicContact CG1-CE 4.44Å; V317-M439 HydrophobicContact CG2-CE 3.59Å; V317-V454 HydrophobicContact CG1-CB 4.21Å; V317-V454 HydrophobicContact CG1-CG1 3.82Å; V317-V454 HydrophobicContact CG1-CG2 3.3Å; V317-P470 HydrophobicContact CG1-CB 4.26Å; V317-P470 HydrophobicContact CG1-CG 4.43Å
318	R	96.5	Very high	95.7	Very high	18 Å²	18	22.7 Å²	22.7	7%	0.068	13%	0.13	C	C	.	.	H	α-helix	trans	-68.2	-22.1	180	-174.4	166.1	176.9	77.5	-1.8	114.1	V314 N315 V316 S321 S462 G469 D486	V314-R318 VanDerWaalsContact O-CB 3.25Å; V314-R318 WeakPolarHBondContact O-CB 3.43Å; V314-R318 PolarHBondContact O-N 2.87Å; V314-R318 VanDerWaalsContact O-N 3.17Å; N315-R318 PolarHBondContact O-N 2.91Å; V316-R318 PolarHBondContact O-N 3.49Å; R318-S321 PolarHBondContact O-OG 3Å; R318-S462 PolarHBondContact NH2-OG 2.75Å; R318-G469 WeakPolarHBondContact CG-O 3.45Å; R318-G469 PolarHBondContact NH1-O 2.8Å; R318-D486 IonicContact CZ-OD2 3.87Å; R318-D486 IonicContact NH1-OD2 2.95Å; R318-D486 PolarHBondContact NH1-OD2 3.13Å
319	V	96.6	Very high	95.2	Very high	29 Å²	29	24 Å²	24	18%	0.176	13%	0.134	C	C	.	.	H	α-helix	trans	-87	-36.5	172.4	166.7	0	0	0	0	111.4	S303 M305 N315 V316 V317 S321 A322 M323	S303-V319 WeakPolarHBondContact OG-CG1 3.29Å; M305-V319 HydrophobicContact CB-CG1 4.49Å; M305-V319 HydrophobicContact CB-CG2 4.32Å; M305-V319 HydrophobicContact CE-CB 3.74Å; M305-V319 HydrophobicContact CE-CG1 4.22Å; M305-V319 HydrophobicContact CE-CG2 3.56Å; N315-V319 WeakPolarHBondContact O-CB 3.39Å; N315-V319 WeakPolarHBondContact O-CG2 3.47Å; N315-V319 PolarHBondContact O-N 3.35Å; V316-V319 PolarHBondContact O-N 3.47Å; V317-V319 VanDerWaalsContact C-N 3.26Å; V317-V319 PolarHBondContact O-N 2.94Å; V319-S321 VanDerWaalsContact C-N 3.35Å; V319-S321 PolarHBondContact O-N 2.9Å; V319-A322 PolarHBondContact O-N 2.93Å; V319-M323 HydrophobicContact CG1-CG 4.01Å; V319-M323 WeakPolarHBondContact O-CB 3.27Å; V319-M323 WeakPolarHBondContact O-CG 3.4Å; V319-M323 PolarHBondContact O-N 2.94Å
320	V	97.9	Very high	94.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.8	-43.4	172.3	170.3	0	0	0	0	110.7	L300 V316 V317 A322 M323 I324 T380 V383 L384	L300-V320 HydrophobicContact CD2-CG2 4.29Å; V316-V320 HydrophobicContact CG1-CG2 4.37Å; V316-V320 WeakPolarHBondContact O-CG2 3.47Å; V316-V320 PolarHBondContact O-N 2.93Å; V317-V320 PolarHBondContact O-N 2.83Å; V320-A322 VanDerWaalsContact C-N 3.28Å; V320-A322 PolarHBondContact O-N 3Å; V320-M323 PolarHBondContact O-N 3.47Å; V320-I324 HydrophobicContact CG1-CG1 3.85Å; V320-I324 WeakPolarHBondContact O-CB 3.39Å; V320-I324 VanDerWaalsContact O-CG1 3.26Å; V320-I324 WeakPolarHBondContact O-CG1 3.26Å; V320-I324 PolarHBondContact O-N 2.81Å; V320-T380 HydrophobicContact CG1-CG2 4.2Å; V320-V383 HydrophobicContact CG1-CB 4.26Å; V320-V383 HydrophobicContact CG1-CG1 4.05Å; V320-V383 HydrophobicContact CG2-CG1 3.89Å; V320-L384 HydrophobicContact CB-CD2 4.28Å; V320-L384 HydrophobicContact CG1-CD2 4.14Å; V320-L384 HydrophobicContact CG2-CD2 4.25Å
321	S	96.7	Very high	94.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65.5	-27.7	-179.8	61.5	0	0	0	0	114.4	V317 R318 V319 N325 D455 S456 C468	V317-S321 PolarHBondContact O-N 3.06Å; V317-S321 PolarHBondContact O-OG 3.26Å; R318-S321 PolarHBondContact O-OG 3Å; V319-S321 VanDerWaalsContact C-N 3.35Å; V319-S321 PolarHBondContact O-N 2.9Å; S321-N325 PolarHBondContact O-ND2 2.91Å; S321-D455 WeakPolarHBondContact CB-O 3.32Å; S321-S456 WeakPolarHBondContact CA-OG 3.49Å; S321-C468 PolarHBondContact OG-O 3.48Å
322	A	96.3	Very high	94.9	Very high	4 Å²	4	29.6 Å²	29.6	3%	0.033	15%	0.147	C	C	.	.	H	α-helix	trans	-72	-60.1	166.2	0	0	0	0	0	111.3	V319 V320 I324 N325 T465 R467	V319-A322 PolarHBondContact O-N 2.93Å; V320-A322 VanDerWaalsContact C-N 3.28Å; V320-A322 PolarHBondContact O-N 3Å; A322-I324 PolarHBondContact O-N 3.06Å; A322-N325 PolarHBondContact O-N 2.86Å; A322-N325 PolarHBondContact O-ND2 3.41Å; A322-N325 VanDerWaalsContact O-ND2 3.13Å; A322-N325 VanDerWaalsContact O-O 3.1Å; A322-T465 HydrophobicContact CB-CG2 4.17Å; A322-R467 HydrophobicContact CB-CB 4.02Å
323	M	97.5	Very high	94.8	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-64.1	-15.9	-171.7	-68.8	-60.1	-55.4	0	0	115	I299 K302 V319 V320 D329 G331 V332	I299-M323 HydrophobicContact CG2-CB 3.73Å; I299-M323 HydrophobicContact CG2-CG 4.32Å; K302-M323 HydrophobicContact CB-CE 3.72Å; V319-M323 HydrophobicContact CG1-CG 4.01Å; V319-M323 WeakPolarHBondContact O-CB 3.27Å; V319-M323 WeakPolarHBondContact O-CG 3.4Å; V319-M323 PolarHBondContact O-N 2.94Å; V320-M323 PolarHBondContact O-N 3.47Å; M323-D329 HydrophobicContact SD-CB 3.69Å; M323-G331 CarbonylContact O-C 3.55Å; M323-G331 WeakPolarHBondContact O-CA 3.49Å; M323-V332 PolarHBondContact O-N 2.88Å
324	I	97.9	Very high	94.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-26.1	174	-73.6	-55.2	0	0	0	112.3	I299 V320 A322 V332 L333 F376 V379 V383	I299-I324 HydrophobicContact CD1-CD1 4.39Å; V320-I324 HydrophobicContact CG1-CG1 3.85Å; V320-I324 WeakPolarHBondContact O-CB 3.39Å; V320-I324 VanDerWaalsContact O-CG1 3.26Å; V320-I324 WeakPolarHBondContact O-CG1 3.26Å; V320-I324 PolarHBondContact O-N 2.81Å; A322-I324 PolarHBondContact O-N 3.06Å; I324-V332 HydrophobicContact CD1-CB 4.18Å; I324-V332 HydrophobicContact CD1-CG2 3.81Å; I324-L333 PolarHBondContact O-N 2.81Å; I324-F376 HydrophobicContact CG2-CB 4.3Å; I324-F376 HydrophobicContact CG2-CD1 3.91Å; I324-V379 HydrophobicContact CD1-CB 4.41Å; I324-V379 HydrophobicContact CD1-CG1 3.59Å; I324-V383 HydrophobicContact CD1-CG2 4.05Å
325	N	94.3	Very high	94.4	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.016	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-103.3	156.3	173.4	84.5	82.4	0	0	0	112.3	S321 A322 Q327 G331 F376 P458 F466	S321-N325 PolarHBondContact O-ND2 2.91Å; A322-N325 PolarHBondContact O-N 2.86Å; A322-N325 PolarHBondContact O-ND2 3.41Å; A322-N325 VanDerWaalsContact O-ND2 3.13Å; A322-N325 VanDerWaalsContact O-O 3.1Å; N325-Q327 WeakPolarHBondContact OD1-CG 3.43Å; N325-Q327 PolarHBondContact OD1-N 3.29Å; N325-G331 VanDerWaalsContact O-CA 3.29Å; N325-G331 WeakPolarHBondContact O-CA 3.38Å; N325-G331 PolarHBondContact O-N 2.81Å; N325-F376 HydrophobicContact CB-CE1 4.02Å; N325-P458 HydrophobicContact CB-CB 4.38Å; N325-P458 HydrophobicContact CB-CG 4.2Å; N325-F466 PolarHBondContact ND2-O 2.85Å
326	A	93.8	Very high	93.7	Very high	18 Å²	18	27 Å²	27	15%	0.149	14%	0.14	C	C	.	.	S	Bend	trans	-100.6	9	-169.4	0	0	0	0	0	115.7	L333 V334 P367	A326-L333 VanDerWaalsContact CB-O 3.29Å; A326-L333 WeakPolarHBondContact CB-O 3.09Å; A326-L333 PolarHBondContact N-O 3.23Å; A326-V334 HydrophobicContact CB-CG2 3.99Å; A326-P367 HydrophobicContact CB-CB 3.69Å; A326-P367 HydrophobicContact CB-CG 3.88Å
327	Q	86.3	Confident	92.9	Very high	111 Å²	111	31.8 Å²	31.8	52%	0.519	16%	0.158	S	C	.	.	S	Bend	trans	-68.4	-50	-170.2	-62.1	-70.7	37.3	0	0	113	N325 P458 F466	N325-Q327 WeakPolarHBondContact OD1-CG 3.43Å; N325-Q327 PolarHBondContact OD1-N 3.29Å; Q327-P458 HydrophobicContact CG-CB 3.57Å; Q327-P458 HydrophobicContact CG-CG 4.08Å; Q327-F466 HydrophobicContact CB-CB 4.28Å; Q327-F466 HydrophobicContact CB-CD2 3.46Å; Q327-F466 VanDerWaalsContact CB-CD2 3.46Å; Q327-F466 HydrophobicContact CB-CE2 4.04Å; Q327-F466 HydrophobicContact CB-CG 4.06Å; Q327-F466 HydrophobicContact CG-CB 4.36Å; Q327-F466 HydrophobicContact CG-CD2 3.82Å; Q327-F466 HydrophobicContact CG-CE2 4.27Å; Q327-F466 HydrophobicContact CG-CG 4.05Å
328	D	86.8	Confident	91.9	Very high	75 Å²	75	36 Å²	36	40%	0.401	19%	0.188	S	C	.	.	S	Bend	trans	-101.4	-57.5	-176	-60	-57.3	0	0	0	111.7	Y330 T465 F466	D328-Y330 PolarHBondContact O-N 2.77Å; D328-T465 HydrophobicContact CB-CG2 4.31Å; D328-T465 VanDerWaalsContact OD2-CA 3.31Å; D328-T465 WeakPolarHBondContact OD2-CA 3.43Å; D328-F466 WeakPolarHBondContact OD2-CD2 3.33Å; D328-F466 PolarHBondContact OD2-N 2.89Å
329	D	84.1	Confident	90.7	Very high	74 Å²	74	37.8 Å²	37.8	40%	0.396	21%	0.211	S	C	.	.	S	Bend	trans	-97.5	15.8	-161.5	-57.1	-46.9	0	0	0	114.5	M323 G331	M323-D329 HydrophobicContact SD-CB 3.69Å; D329-G331 PolarHBondContact O-N 2.81Å
330	Y	88.8	Confident	89.9	Confident	154 Å²	154	40.9 Å²	40.9	60%	0.604	23%	0.227	S	C	*	.			trans	56.7	36.1	-175.3	-116.9	-110.2	0	0	0	113.3	D328 Y360 P367	D328-Y330 PolarHBondContact O-N 2.77Å; Y330-Y360 WeakPolarHBondContact O-CE2 3.34Å; Y330-Y360 PolarHBondContact O-OH 3.48Å; Y330-P367 VanDerWaalsContact CD1-CD 3.48Å; Y330-P367 HydrophobicContact CD1-CG 3.84Å; Y330-P367 HydrophobicContact CE1-CG 4.23Å; Y330-P367 HydrophobicContact CG-CG 4.18Å
331	G	94.4	Very high	89.4	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.236	C	C	.	.			trans	-69.4	-173.5	-177.3	0	0	0	0	0	116.6	M323 N325 D329 L333 Y360 P367	M323-G331 CarbonylContact O-C 3.55Å; M323-G331 WeakPolarHBondContact O-CA 3.49Å; N325-G331 VanDerWaalsContact O-CA 3.29Å; N325-G331 WeakPolarHBondContact O-CA 3.38Å; N325-G331 PolarHBondContact O-N 2.81Å; D329-G331 PolarHBondContact O-N 2.81Å; G331-L333 PolarHBondContact O-N 2.91Å; G331-Y360 WeakPolarHBondContact O-CE2 3.38Å; G331-P367 WeakPolarHBondContact O-CB 3.46Å; G331-P367 WeakPolarHBondContact O-CG 3.43Å
332	V	97.9	Very high	88.8	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	-63	-42.7	-159.9	-176.9	0	0	0	0	114.3	I299 M323 I324 I356 L357 Y360 V368 V379	I299-V332 HydrophobicContact CD1-CG2 3.55Å; I299-V332 HydrophobicContact CG1-CG2 3.88Å; M323-V332 PolarHBondContact O-N 2.88Å; I324-V332 HydrophobicContact CD1-CB 4.18Å; I324-V332 HydrophobicContact CD1-CG2 3.81Å; V332-I356 HydrophobicContact CG1-CG2 3.8Å; V332-L357 HydrophobicContact CG1-CD2 4.26Å; V332-Y360 HydrophobicContact CB-CD2 4.4Å; V332-Y360 HydrophobicContact CB-CG 4.33Å; V332-Y360 HydrophobicContact CG1-CG 4.17Å; V332-Y360 HydrophobicContact CG2-CD1 3.86Å; V332-Y360 HydrophobicContact CG2-CD2 4.45Å; V332-Y360 HydrophobicContact CG2-CE1 3.98Å; V332-Y360 HydrophobicContact CG2-CG 4.1Å; V332-V368 WeakPolarHBondContact O-CB 3.33Å; V332-V368 PolarHBondContact O-N 3Å; V332-V379 HydrophobicContact CG1-CG1 4.42Å
333	L	96.2	Very high	88.5	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	135.2	-171	-82.4	163.9	0	0	0	113.6	I324 A326 G331 I356 V368 V375 F376 V379	I324-L333 PolarHBondContact O-N 2.81Å; A326-L333 VanDerWaalsContact CB-O 3.29Å; A326-L333 WeakPolarHBondContact CB-O 3.09Å; A326-L333 PolarHBondContact N-O 3.23Å; G331-L333 PolarHBondContact O-N 2.91Å; L333-I356 HydrophobicContact CD1-CD1 4.47Å; L333-I356 HydrophobicContact CD1-CG2 4.16Å; L333-I356 HydrophobicContact CD2-CD1 4.4Å; L333-I356 HydrophobicContact CD2-CG2 3.76Å; L333-I356 HydrophobicContact CG-CG2 3.84Å; L333-V368 HydrophobicContact CD2-CB 4.12Å; L333-V368 HydrophobicContact CD2-CG1 4.3Å; L333-V375 HydrophobicContact CD1-CG1 3.74Å; L333-V375 HydrophobicContact CD2-CG1 4.35Å; L333-F376 HydrophobicContact CB-CD1 3.87Å; L333-F376 HydrophobicContact CB-CE1 3.43Å; L333-F376 VanDerWaalsContact CB-CE1 3.43Å; L333-F376 HydrophobicContact CB-CZ 4.36Å; L333-F376 HydrophobicContact CD1-CD1 3.99Å; L333-F376 HydrophobicContact CD1-CE1 4.34Å; L333-V379 HydrophobicContact CD1-CB 4.47Å; L333-V379 HydrophobicContact CD1-CG2 3.86Å
334	V	96.5	Very high	88.3	Confident	35 Å²	35	53.3 Å²	53.3	21%	0.212	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	126.2	167.9	-170.8	0	0	0	0	109.4	A326 P367 V368 R369 Y370 G371	A326-V334 HydrophobicContact CB-CG2 3.99Å; V334-P367 HydrophobicContact CG2-CB 3.52Å; V334-V368 PolarHBondContact N-O 2.72Å; V334-R369 HydrophobicContact CB-CG 4.15Å; V334-R369 HydrophobicContact CG2-CG 3.95Å; V334-Y370 HydrophobicContact CB-CD1 3.93Å; V334-Y370 HydrophobicContact CB-CE1 4.12Å; V334-Y370 HydrophobicContact CG1-CD1 3.93Å; V334-Y370 HydrophobicContact CG1-CE1 3.74Å; V334-Y370 CarbonylContact O-C 3.56Å; V334-Y370 WeakPolarHBondContact O-CA 3.14Å; V334-Y370 WeakPolarHBondContact O-CD1 3.25Å; V334-G371 PolarHBondContact O-N 2.87Å
335	G	90.9	Very high	87.8	Confident	24 Å²	24	55.9 Å²	55.9	25%	0.247	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	143.2	173.3	0	0	0	0	0	112.5	G371	G335-G371 WeakPolarHBondContact CA-O 3.42Å
336	N	81.6	Confident	87.4	Confident	20 Å²	20	57.6 Å²	57.6	11%	0.107	33%	0.33	C	S	.	.			trans	-156.3	125.7	172.6	-179.5	-2.3	0	0	0	111.5	S338 N340 Y341 Y370 G371 Q372	N336-S338 WeakPolarHBondContact OD1-CB 3.04Å; N336-S338 PolarHBondContact OD1-N 3.12Å; N336-S338 PolarHBondContact OD1-OG 2.79Å; N336-N340 PolarHBondContact ND2-O 2.86Å; N336-Y341 HydrophobicContact CB-CD1 4.38Å; N336-Y341 HydrophobicContact CB-CE1 4.11Å; N336-Y370 HydrophobicContact CB-CD1 3.32Å; N336-Y370 HydrophobicContact CB-CD2 4.27Å; N336-Y370 HydrophobicContact CB-CE1 3.73Å; N336-Y370 HydrophobicContact CB-CG 3.62Å; N336-Y370 WeakPolarHBondContact ND2-CE2 3.26Å; N336-G371 PolarHBondContact N-O 2.81Å; N336-Q372 PolarHBondContact O-NE2 3.01Å
337	W	82.7	Confident	87	Confident	101 Å²	101	56.8 Å²	56.8	38%	0.383	32%	0.324	S	S	.	.			trans	-118.7	3.9	178.6	-69.3	-103.5	0	0	0	113.6	G339 Q372 F376 W429 T457	W337-G339 PolarHBondContact O-N 2.9Å; W337-G339 VanDerWaalsContact O-N 3.09Å; W337-Q372 HydrophobicContact CD2-CG 4.04Å; W337-Q372 HydrophobicContact CG-CG 4.24Å; W337-Q372 HydrophobicContact CZ2-CB 4.15Å; W337-Q372 HydrophobicContact CZ2-CG 4.09Å; W337-F376 AromaticContact CH2-CE2 3.98Å; W337-F376 HydrophobicContact CH2-CE2 3.98Å; W337-W429 AromaticContact CD1-CH2 3.93Å; W337-W429 AromaticContact CD1-CZ3 3.88Å; W337-W429 AromaticContact NE1-CH2 3.59Å; W337-W429 AromaticContact NE1-CZ3 3.53Å; W337-T457 HydrophobicContact CH2-CG2 4.01Å; W337-T457 HydrophobicContact CZ2-CG2 3.98Å
338	S	76.3	Confident	86.8	Confident	89 Å²	89	54 Å²	54	62%	0.622	32%	0.32	S	S	*	.	S	Bend	trans	-68.2	-8.7	-174.7	68.1	0	0	0	0	115.4	N336 N340	N336-S338 WeakPolarHBondContact OD1-CB 3.04Å; N336-S338 PolarHBondContact OD1-N 3.12Å; N336-S338 PolarHBondContact OD1-OG 2.79Å; S338-N340 PolarHBondContact O-N 3.03Å; S338-N340 PolarHBondContact OG-N 2.93Å; S338-N340 PolarHBondContact OG-O 2.71Å
339	G	70.9	Confident	86.8	Confident	54 Å²	54	53.9 Å²	53.9	56%	0.557	33%	0.329	S	S	*	.	S	Bend	trans	75.6	-14.4	-170.5	0	0	0	0	0	114.6	W337 Y341	W337-G339 PolarHBondContact O-N 2.9Å; W337-G339 VanDerWaalsContact O-N 3.09Å; G339-Y341 WeakPolarHBondContact O-CE2 3.36Å
340	N	79.2	Confident	87	Confident	94 Å²	94	50.7 Å²	50.7	50%	0.503	31%	0.312	S	S	.	.			trans	-95.6	123.4	172.4	-174.9	16.5	0	0	0	110.9	N336 S338 S342	N336-N340 PolarHBondContact ND2-O 2.86Å; S338-N340 PolarHBondContact O-N 3.03Å; S338-N340 PolarHBondContact OG-N 2.93Å; S338-N340 PolarHBondContact OG-O 2.71Å; N340-S342 WeakPolarHBondContact OD1-CB 3.5Å; N340-S342 PolarHBondContact OD1-N 3.01Å; N340-S342 VanDerWaalsContact OD1-N 3.13Å; N340-S342 PolarHBondContact OD1-OG 3.49Å
341	Y	87.7	Confident	87	Confident	49 Å²	49	46.6 Å²	46.6	19%	0.192	31%	0.305	C	S	.	.			trans	-129	23.2	-179.5	-48.2	-67.7	0	0	0	112.1	N336 G339 D343 G344 S346 P347 Y370 Q372	N336-Y341 HydrophobicContact CB-CD1 4.38Å; N336-Y341 HydrophobicContact CB-CE1 4.11Å; G339-Y341 WeakPolarHBondContact O-CE2 3.36Å; Y341-D343 PolarHBondContact O-N 3.38Å; Y341-D343 VanDerWaalsContact O-N 3.1Å; Y341-G344 CarbonylContact O-C 3.39Å; Y341-G344 PolarHBondContact O-N 2.94Å; Y341-G344 VanDerWaalsContact O-O 3.12Å; Y341-S346 WeakPolarHBondContact CD2-OG 3.44Å; Y341-P347 HydrophobicContact CD1-CG 4.42Å; Y341-P347 VanDerWaalsContact CE1-CD 3.4Å; Y341-P347 HydrophobicContact CE1-CG 3.92Å; Y341-Y370 AromaticContact CD1-CD2 3.93Å; Y341-Y370 HydrophobicContact CD1-CD2 3.93Å; Y341-Y370 HydrophobicContact CD1-CG 4.39Å; Y341-Q372 PolarHBondContact OH-NE2 3.17Å
342	S	85.3	Confident	86.8	Confident	102 Å²	102	47.7 Å²	47.7	71%	0.713	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.6	-167.3	55.4	0	0	0	0	116.3	N340	N340-S342 WeakPolarHBondContact OD1-CB 3.5Å; N340-S342 PolarHBondContact OD1-N 3.01Å; N340-S342 VanDerWaalsContact OD1-N 3.13Å; N340-S342 PolarHBondContact OD1-OG 3.49Å
343	D	90.5	Very high	86.8	Confident	85 Å²	85	47.7 Å²	47.7	46%	0.455	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	8.8	178.6	68.3	-53.8	0	0	0	113.3	Y341 R369 Y370	Y341-D343 PolarHBondContact O-N 3.38Å; Y341-D343 VanDerWaalsContact O-N 3.1Å; D343-R369 IonicContact OD2-CZ 3.52Å; D343-R369 IonicContact OD2-NH1 3.46Å; D343-R369 PolarHBondContact OD2-NH1 3.5Å; D343-Y370 PolarHBondContact OD1-OH 3.17Å; D343-Y370 PolarHBondContact OD2-OH 3.2Å
344	G	91.5	Very high	86.6	Confident	32 Å²	32	48.5 Å²	48.5	33%	0.33	32%	0.318	S	S	.	.	S	Bend	trans	-149.1	-158.2	-178.4	0	0	0	0	0	113.2	Y341	Y341-G344 CarbonylContact O-C 3.39Å; Y341-G344 PolarHBondContact O-N 2.94Å; Y341-G344 VanDerWaalsContact O-O 3.12Å
345	I	88.6	Confident	86.5	Confident	53 Å²	53	51.8 Å²	51.8	27%	0.272	33%	0.331	S	S	.	.			trans	-106.8	135	173.5	-67.9	168.3	0	0	0	108.5	A349 W350 K359 R369 Y370	I345-A349 HydrophobicContact CG2-CB 4.1Å; I345-W350 HydrophobicContact CB-CH2 4.27Å; I345-W350 HydrophobicContact CB-CZ2 3.73Å; I345-W350 HydrophobicContact CD1-CH2 3.49Å; I345-W350 VanDerWaalsContact CD1-CH2 3.49Å; I345-W350 HydrophobicContact CD1-CZ2 3.86Å; I345-W350 HydrophobicContact CD1-CZ3 4.1Å; I345-W350 HydrophobicContact CG1-CH2 4.47Å; I345-W350 HydrophobicContact CG1-CZ2 4.38Å; I345-W350 HydrophobicContact CG2-CD2 4.05Å; I345-W350 HydrophobicContact CG2-CE3 4.46Å; I345-W350 HydrophobicContact CG2-CH2 4.22Å; I345-W350 HydrophobicContact CG2-CZ2 3.74Å; I345-K359 VanDerWaalsContact CD1-NZ 3.27Å; I345-R369 PolarHBondContact N-O 3.16Å; I345-Y370 PolarHBondContact O-N 2.86Å
346	S	86.4	Confident	86.9	Confident	40 Å²	40	50.6 Å²	50.6	28%	0.28	32%	0.319	S	S	.	.			trans	-62.8	133.4	177	-178.8	0	0	0	0	110.8	Y341 A348 A349	Y341-S346 WeakPolarHBondContact CD2-OG 3.44Å; S346-A348 PolarHBondContact O-N 2.97Å; S346-A349 WeakPolarHBondContact O-CB 3.3Å; S346-A349 PolarHBondContact O-N 3.34Å
347	P	83.7	Confident	87.6	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.006	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-52.9	-29.4	177.7	-28.6	35.4	0	0	0	114.2	Y341 A349 Q372 W374 V375	Y341-P347 HydrophobicContact CD1-CG 4.42Å; Y341-P347 VanDerWaalsContact CE1-CD 3.4Å; Y341-P347 HydrophobicContact CE1-CG 3.92Å; P347-A349 VanDerWaalsContact C-N 3.34Å; P347-Q372 HydrophobicContact CB-CB 4.07Å; P347-Q372 HydrophobicContact CB-CG 3.75Å; P347-Q372 HydrophobicContact CG-CG 3.78Å; P347-W374 HydrophobicContact CB-CZ2 3.98Å; P347-W374 PolarHBondContact O-NE1 3.05Å; P347-W374 VanDerWaalsContact O-NE1 3.16Å; P347-V375 HydrophobicContact CB-CG2 4.11Å; P347-V375 WeakPolarHBondContact O-CG2 3.46Å
348	A	82.3	Confident	88.3	Confident	53 Å²	53	48.9 Å²	48.9	44%	0.438	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-76.9	-16.2	179	0	0	0	0	0	114.2	R281 S346 W374	R281-A348 PolarHBondContact NH1-O 2.8Å; R281-A348 PolarHBondContact NH2-O 3.25Å; S346-A348 PolarHBondContact O-N 2.97Å; A348-W374 HydrophobicContact CB-CZ2 4.4Å
349	A	87.5	Confident	89.3	Confident	72 Å²	72	48 Å²	48	60%	0.595	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-82.5	-18.5	-180	0	0	0	0	0	113.4	I345 S346 P347	I345-A349 HydrophobicContact CG2-CB 4.1Å; S346-A349 WeakPolarHBondContact O-CB 3.3Å; S346-A349 PolarHBondContact O-N 3.34Å; P347-A349 VanDerWaalsContact C-N 3.34Å
350	W	89.1	Confident	90.5	Very high	7 Å²	7	45.6 Å²	45.6	3%	0.027	27%	0.27	C	S	.	.			trans	-73	141.2	177.8	-57.8	115.2	0	0	0	112.5	R281 W283 I345 E355 I356 V368 Y370 V375	R281-W350 PolarHBondContact NH1-O 2.99Å; W283-W350 HydrophobicContact CH2-CB 3.53Å; W283-W350 HydrophobicContact CZ3-CB 3.83Å; W283-W350 WeakPolarHBondContact CZ3-O 3.44Å; I345-W350 HydrophobicContact CB-CH2 4.27Å; I345-W350 HydrophobicContact CB-CZ2 3.73Å; I345-W350 HydrophobicContact CD1-CH2 3.49Å; I345-W350 VanDerWaalsContact CD1-CH2 3.49Å; I345-W350 HydrophobicContact CD1-CZ2 3.86Å; I345-W350 HydrophobicContact CD1-CZ3 4.1Å; I345-W350 HydrophobicContact CG1-CH2 4.47Å; I345-W350 HydrophobicContact CG1-CZ2 4.38Å; I345-W350 HydrophobicContact CG2-CD2 4.05Å; I345-W350 HydrophobicContact CG2-CE3 4.46Å; I345-W350 HydrophobicContact CG2-CH2 4.22Å; I345-W350 HydrophobicContact CG2-CZ2 3.74Å; W350-E355 HydrophobicContact CZ3-CB 4.18Å; W350-E355 HydrophobicContact CZ3-CG 4.21Å; W350-I356 HydrophobicContact CD2-CD1 3.83Å; W350-I356 HydrophobicContact CD2-CG1 3.95Å; W350-I356 HydrophobicContact CE3-CD1 4.09Å; W350-I356 HydrophobicContact CE3-CG1 3.79Å; W350-I356 HydrophobicContact CG-CD1 4.1Å; W350-I356 HydrophobicContact CH2-CG1 3.76Å; W350-I356 HydrophobicContact CZ2-CD1 4.43Å; W350-I356 HydrophobicContact CZ2-CG1 3.94Å; W350-I356 HydrophobicContact CZ3-CD1 4.49Å; W350-I356 HydrophobicContact CZ3-CG1 3.71Å; W350-V368 HydrophobicContact CH2-CG1 4.11Å; W350-V368 HydrophobicContact CZ2-CG1 3.9Å; W350-Y370 PolarHBondContact NE1-O 3.48Å; W350-V375 HydrophobicContact CG-CG1 4.33Å
351	S	87.5	Confident	91.4	Very high	68 Å²	68	44 Å²	44	48%	0.476	26%	0.26	S	S	.	.			trans	-133.2	6.4	170.9	63.3	0	0	0	0	112.8	N284	N284-S351 PolarHBondContact N-O 3.08Å
352	S	91.1	Very high	91.8	Very high	22 Å²	22	46.5 Å²	46.5	15%	0.154	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-158.3	147.9	-177.8	-176.3	0	0	0	0	112.4	N284 V354	N284-S352 WeakPolarHBondContact O-CA 3.49Å; N284-S352 WeakPolarHBondContact O-CB 3.42Å; N284-S352 PolarHBondContact O-OG 3.42Å; S352-V354 PolarHBondContact OG-N 3.33Å
353	S	96.8	Very high	92.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	-78.3	-23	172.5	-47.4	0	0	0	0	113.3	W283 N284 E355 I356 L357 G378 T382	W283-S353 PolarHBondContact NE1-OG 2.77Å; N284-S353 PolarHBondContact O-N 3.1Å; S353-E355 PolarHBondContact O-N 3.37Å; S353-I356 WeakPolarHBondContact O-CB 3.31Å; S353-I356 PolarHBondContact O-N 3.4Å; S353-I356 VanDerWaalsContact O-N 3.1Å; S353-L357 PolarHBondContact O-N 2.81Å; S353-G378 VanDerWaalsContact OG-C 3.29Å; S353-G378 PolarHBondContact OG-O 3.44Å; S353-T382 WeakPolarHBondContact CB-OG1 3.42Å; S353-T382 PolarHBondContact OG-OG1 2.83Å
354	V	93.4	Very high	92.6	Very high	17 Å²	17	44.5 Å²	44.5	10%	0.103	27%	0.272	C	S	.	.	H	α-helix	trans	-59.5	-44.9	-169	172.7	0	0	0	0	111.8	H289 I292 S352 R358	H289-V354 HydrophobicContact CB-CG1 4.31Å; H289-V354 HydrophobicContact CB-CG2 4.25Å; I292-V354 HydrophobicContact CD1-CB 4.28Å; I292-V354 HydrophobicContact CD1-CG1 4.09Å; I292-V354 HydrophobicContact CD1-CG2 4.44Å; I292-V354 HydrophobicContact CG1-CG1 4.39Å; I292-V354 HydrophobicContact CG1-CG2 4.44Å; S352-V354 PolarHBondContact OG-N 3.33Å; V354-R358 VanDerWaalsContact O-CB 3.25Å; V354-R358 WeakPolarHBondContact O-CB 3.44Å; V354-R358 WeakPolarHBondContact O-CD 3.13Å; V354-R358 VanDerWaalsContact O-CG 3.23Å; V354-R358 WeakPolarHBondContact O-CG 3.28Å; V354-R358 PolarHBondContact O-N 2.8Å; V354-R358 VanDerWaalsContact O-N 3.09Å
355	E	94.4	Very high	92.8	Very high	104 Å²	104	43.3 Å²	43.3	49%	0.486	26%	0.26	S	S	.	.	H	α-helix	trans	-70.3	-33.8	178.9	-168.9	-177.8	172.3	0	0	112.3	W350 S353 K359	W350-E355 HydrophobicContact CZ3-CB 4.18Å; W350-E355 HydrophobicContact CZ3-CG 4.21Å; S353-E355 PolarHBondContact O-N 3.37Å; E355-K359 HydrophobicContact CG-CD 4.21Å; E355-K359 WeakPolarHBondContact O-CB 3.29Å; E355-K359 VanDerWaalsContact O-CG 3.25Å; E355-K359 WeakPolarHBondContact O-CG 3.2Å; E355-K359 PolarHBondContact O-N 3.03Å; E355-K359 WeakPolarHBondContact OE1-CE 3.22Å; E355-K359 IonicContact OE1-NZ 2.81Å; E355-K359 PolarHBondContact OE1-NZ 2.93Å
356	I	97.8	Very high	93.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-67.5	-54.1	179.4	-59.6	170.8	0	0	0	109.7	V332 L333 W350 S353 R358 K359 Y360 V368 V375 V379	V332-I356 HydrophobicContact CG1-CG2 3.8Å; L333-I356 HydrophobicContact CD1-CD1 4.47Å; L333-I356 HydrophobicContact CD1-CG2 4.16Å; L333-I356 HydrophobicContact CD2-CD1 4.4Å; L333-I356 HydrophobicContact CD2-CG2 3.76Å; L333-I356 HydrophobicContact CG-CG2 3.84Å; W350-I356 HydrophobicContact CD2-CD1 3.83Å; W350-I356 HydrophobicContact CD2-CG1 3.95Å; W350-I356 HydrophobicContact CE3-CD1 4.09Å; W350-I356 HydrophobicContact CE3-CG1 3.79Å; W350-I356 HydrophobicContact CG-CD1 4.1Å; W350-I356 HydrophobicContact CH2-CG1 3.76Å; W350-I356 HydrophobicContact CZ2-CD1 4.43Å; W350-I356 HydrophobicContact CZ2-CG1 3.94Å; W350-I356 HydrophobicContact CZ3-CD1 4.49Å; W350-I356 HydrophobicContact CZ3-CG1 3.71Å; S353-I356 WeakPolarHBondContact O-CB 3.31Å; S353-I356 PolarHBondContact O-N 3.4Å; S353-I356 VanDerWaalsContact O-N 3.1Å; I356-R358 PolarHBondContact O-N 3.23Å; I356-K359 PolarHBondContact O-N 3.23Å; I356-Y360 PolarHBondContact O-N 3.33Å; I356-V368 HydrophobicContact CG2-CB 4.17Å; I356-V368 HydrophobicContact CG2-CG1 4.25Å; I356-V368 HydrophobicContact CG2-CG2 4.26Å; I356-V375 HydrophobicContact CD1-CG1 3.67Å; I356-V379 HydrophobicContact CB-CG2 4.35Å; I356-V379 HydrophobicContact CD1-CG2 3.87Å; I356-V379 HydrophobicContact CG2-CG2 4.17Å
357	L	98.3	Very high	93.7	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-62.3	-41.9	-179.9	-71.6	170.5	0	0	0	111.7	I292 A295 I299 V332 S353 K359 Y360 H361 V379 T382 V383	I292-L357 HydrophobicContact CD1-CB 3.86Å; I292-L357 HydrophobicContact CD1-CD1 4.39Å; I292-L357 HydrophobicContact CG2-CD1 4.01Å; A295-L357 HydrophobicContact CB-CB 4.11Å; I299-L357 HydrophobicContact CD1-CD2 3.66Å; V332-L357 HydrophobicContact CG1-CD2 4.26Å; S353-L357 PolarHBondContact O-N 2.81Å; L357-K359 PolarHBondContact O-N 3.21Å; L357-Y360 PolarHBondContact O-N 3.19Å; L357-H361 WeakPolarHBondContact O-CB 3.38Å; L357-H361 PolarHBondContact O-N 2.94Å; L357-V379 HydrophobicContact CD1-CG1 4.21Å; L357-V379 HydrophobicContact CD2-CG1 3.67Å; L357-V379 HydrophobicContact CG-CG1 3.9Å; L357-T382 HydrophobicContact CD1-CG2 3.85Å; L357-V383 HydrophobicContact CD1-CG2 4.3Å; L357-V383 HydrophobicContact CD2-CG2 4.05Å
358	R	96	Very high	94.3	Very high	84 Å²	84	44.2 Å²	44.2	32%	0.317	27%	0.267	S	S	.	.	H	α-helix	trans	-61.3	-40.6	173.9	-77.7	172.2	161.3	-147.7	-19.8	112.7	H289 E290 I292 V354 I356 S362	H289-R358 PolarHBondContact CE1-NH2 2.78Å; H289-R358 PolarHBondContact ND1-NH2 2.7Å; E290-R358 VanDerWaalsContact CB-NH2 3.34Å; E290-R358 VanDerWaalsContact O-CZ 3.27Å; E290-R358 PolarHBondContact O-NE 3.33Å; E290-R358 PolarHBondContact O-NH2 3.23Å; E290-R358 IonicContact OE2-CZ 2.79Å; E290-R358 IonicContact OE2-NH2 3.52Å; E290-R358 PolarHBondContact OE2-NH2 3.03Å; I292-R358 HydrophobicContact CD1-CG 3.99Å; V354-R358 VanDerWaalsContact O-CB 3.25Å; V354-R358 WeakPolarHBondContact O-CB 3.44Å; V354-R358 WeakPolarHBondContact O-CD 3.13Å; V354-R358 VanDerWaalsContact O-CG 3.23Å; V354-R358 WeakPolarHBondContact O-CG 3.28Å; V354-R358 PolarHBondContact O-N 2.8Å; V354-R358 VanDerWaalsContact O-N 3.09Å; I356-R358 PolarHBondContact O-N 3.23Å; R358-S362 VanDerWaalsContact O-CB 3.25Å; R358-S362 WeakPolarHBondContact O-CB 3.46Å; R358-S362 PolarHBondContact O-N 2.84Å; R358-S362 PolarHBondContact O-OG 2.93Å
359	K	96.8	Very high	95	Very high	70 Å²	70	47.5 Å²	47.5	30%	0.304	27%	0.268	S	S	.	.	H	α-helix	trans	-66.3	-42.4	175.6	-79.5	172.5	-178.2	170.2	0	112.3	I345 E355 I356 L357 S363 V368	I345-K359 VanDerWaalsContact CD1-NZ 3.27Å; E355-K359 HydrophobicContact CG-CD 4.21Å; E355-K359 WeakPolarHBondContact O-CB 3.29Å; E355-K359 VanDerWaalsContact O-CG 3.25Å; E355-K359 WeakPolarHBondContact O-CG 3.2Å; E355-K359 PolarHBondContact O-N 3.03Å; E355-K359 WeakPolarHBondContact OE1-CE 3.22Å; E355-K359 IonicContact OE1-NZ 2.81Å; E355-K359 PolarHBondContact OE1-NZ 2.93Å; I356-K359 PolarHBondContact O-N 3.23Å; L357-K359 PolarHBondContact O-N 3.21Å; K359-S363 VanDerWaalsContact O-CB 3.3Å; K359-S363 WeakPolarHBondContact O-CB 3.49Å; K359-S363 PolarHBondContact O-N 3.14Å; K359-S363 VanDerWaalsContact O-N 3.17Å; K359-S363 PolarHBondContact O-OG 2.97Å; K359-V368 HydrophobicContact CB-CG2 3.83Å
360	Y	97.9	Very high	95.2	Very high	3 Å²	3	45.2 Å²	45.2	1%	0.012	24%	0.244	C	C	.	.	H	α-helix	trans	-63.3	-48.6	176.9	-175.1	-105.4	0	0	0	111.7	F298 I299 Y330 G331 V332 I356 L357 S363 G365 V366	F298-Y360 HydrophobicContact CD1-CD1 4.31Å; F298-Y360 HydrophobicContact CD1-CE1 4.15Å; F298-Y360 HydrophobicContact CE1-CD1 4.27Å; F298-Y360 HydrophobicContact CE1-CE1 4.01Å; I299-Y360 HydrophobicContact CG1-CD1 4.34Å; I299-Y360 HydrophobicContact CG1-CE1 4.1Å; Y330-Y360 WeakPolarHBondContact O-CE2 3.34Å; Y330-Y360 PolarHBondContact O-OH 3.48Å; G331-Y360 WeakPolarHBondContact O-CE2 3.38Å; V332-Y360 HydrophobicContact CB-CD2 4.4Å; V332-Y360 HydrophobicContact CB-CG 4.33Å; V332-Y360 HydrophobicContact CG1-CG 4.17Å; V332-Y360 HydrophobicContact CG2-CD1 3.86Å; V332-Y360 HydrophobicContact CG2-CD2 4.45Å; V332-Y360 HydrophobicContact CG2-CE1 3.98Å; V332-Y360 HydrophobicContact CG2-CG 4.1Å; I356-Y360 PolarHBondContact O-N 3.33Å; L357-Y360 PolarHBondContact O-N 3.19Å; Y360-S363 PolarHBondContact O-N 2.86Å; Y360-S363 PolarHBondContact O-OG 3.44Å; Y360-G365 WeakPolarHBondContact O-CA 3.48Å; Y360-G365 PolarHBondContact O-N 2.89Å; Y360-V366 WeakPolarHBondContact CD2-O 3.35Å
361	H	97.5	Very high	95.3	Very high	62 Å²	62	44.9 Å²	44.9	29%	0.287	24%	0.242	S	C	.	.	H	α-helix	trans	-66.4	-49.2	-179.7	-176.6	-155.8	0	0	0	112.2	A295 F298 L357 S363 T364	A295-H361 HydrophobicContact CB-CB 3.75Å; F298-H361 AromaticContact CD1-CD2 3.85Å; F298-H361 AromaticContact CD2-CD2 4Å; F298-H361 AromaticContact CG-CD2 3.7Å; L357-H361 WeakPolarHBondContact O-CB 3.38Å; L357-H361 PolarHBondContact O-N 2.94Å; H361-S363 PolarHBondContact O-N 3.21Å; H361-T364 PolarHBondContact O-N 2.95Å
362	S	96.6	Very high	95.3	Very high	100 Å²	100	42.7 Å²	42.7	70%	0.699	23%	0.225	S	C	*	.	H	α-helix	trans	-68.6	-15.4	-179.2	61.2	0	0	0	0	115	R358	R358-S362 VanDerWaalsContact O-CB 3.25Å; R358-S362 WeakPolarHBondContact O-CB 3.46Å; R358-S362 PolarHBondContact O-N 2.84Å; R358-S362 PolarHBondContact O-OG 2.93Å
363	S	95.9	Very high	95.4	Very high	46 Å²	46	41.8 Å²	41.8	32%	0.322	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	6.7	170.1	61.5	0	0	0	0	113.6	K359 Y360 H361 G365 V366	K359-S363 VanDerWaalsContact O-CB 3.3Å; K359-S363 WeakPolarHBondContact O-CB 3.49Å; K359-S363 PolarHBondContact O-N 3.14Å; K359-S363 VanDerWaalsContact O-N 3.17Å; K359-S363 PolarHBondContact O-OG 2.97Å; Y360-S363 PolarHBondContact O-N 2.86Å; Y360-S363 PolarHBondContact O-OG 3.44Å; H361-S363 PolarHBondContact O-N 3.21Å; S363-G365 PolarHBondContact O-N 3.23Å; S363-V366 PolarHBondContact OG-N 3.02Å; S363-V366 VanDerWaalsContact OG-N 3.17Å; S363-V366 PolarHBondContact OG-O 2.67Å
364	T	95.4	Very high	95.2	Very high	99 Å²	99	43.4 Å²	43.4	61%	0.607	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.4	31.6	-176.7	-37.2	0	0	0	0	112.8	F298 K302 H361	F298-T364 HydrophobicContact CZ-CG2 4.31Å; K302-T364 VanDerWaalsContact CE-O 3.28Å; K302-T364 WeakPolarHBondContact CE-O 3.19Å; K302-T364 PolarHBondContact NZ-O 3.21Å; H361-T364 PolarHBondContact O-N 2.95Å
365	G	94.9	Very high	95.4	Very high	7 Å²	7	42.6 Å²	42.6	7%	0.072	22%	0.22	C	C	.	.	S	Bend	trans	90.8	45	176.9	0	0	0	0	0	114.3	Y360 S363	Y360-G365 WeakPolarHBondContact O-CA 3.48Å; Y360-G365 PolarHBondContact O-N 2.89Å; S363-G365 PolarHBondContact O-N 3.23Å
366	V	96.8	Very high	95.6	Very high	81 Å²	81	37.7 Å²	37.7	49%	0.491	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-91.7	124.5	166.5	178.5	0	0	0	0	109.2	Y360 S363 V368	Y360-V366 WeakPolarHBondContact CD2-O 3.35Å; S363-V366 PolarHBondContact OG-N 3.02Å; S363-V366 VanDerWaalsContact OG-N 3.17Å; S363-V366 PolarHBondContact OG-O 2.67Å; V366-V368 PolarHBondContact O-N 3.03Å
367	P	97.6	Very high	95.6	Very high	20 Å²	20	37.7 Å²	37.7	13%	0.13	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-53.9	132.1	-179.7	-29.6	34.4	0	0	0	114.4	A326 Y330 G331 V334	A326-P367 HydrophobicContact CB-CB 3.69Å; A326-P367 HydrophobicContact CB-CG 3.88Å; Y330-P367 VanDerWaalsContact CD1-CD 3.48Å; Y330-P367 HydrophobicContact CD1-CG 3.84Å; Y330-P367 HydrophobicContact CE1-CG 4.23Å; Y330-P367 HydrophobicContact CG-CG 4.18Å; G331-P367 WeakPolarHBondContact O-CB 3.46Å; G331-P367 WeakPolarHBondContact O-CG 3.43Å; V334-P367 HydrophobicContact CG2-CB 3.52Å
368	V	97.8	Very high	95.6	Very high	12 Å²	12	37.6 Å²	37.6	7%	0.073	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	136.7	-179.6	-178.3	0	0	0	0	110.4	V332 L333 V334 W350 I356 K359 V366	V332-V368 WeakPolarHBondContact O-CB 3.33Å; V332-V368 PolarHBondContact O-N 3Å; L333-V368 HydrophobicContact CD2-CB 4.12Å; L333-V368 HydrophobicContact CD2-CG1 4.3Å; V334-V368 PolarHBondContact N-O 2.72Å; W350-V368 HydrophobicContact CH2-CG1 4.11Å; W350-V368 HydrophobicContact CZ2-CG1 3.9Å; I356-V368 HydrophobicContact CG2-CB 4.17Å; I356-V368 HydrophobicContact CG2-CG1 4.25Å; I356-V368 HydrophobicContact CG2-CG2 4.26Å; K359-V368 HydrophobicContact CB-CG2 3.83Å; V366-V368 PolarHBondContact O-N 3.03Å
369	R	95.3	Very high	95.7	Very high	122 Å²	122	33.6 Å²	33.6	46%	0.46	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	124.6	179.6	-65.8	-178.9	-173.1	-164.9	-0.1	110.4	V334 D343 I345	V334-R369 HydrophobicContact CB-CG 4.15Å; V334-R369 HydrophobicContact CG2-CG 3.95Å; D343-R369 IonicContact OD2-CZ 3.52Å; D343-R369 IonicContact OD2-NH1 3.46Å; D343-R369 PolarHBondContact OD2-NH1 3.5Å; I345-R369 PolarHBondContact N-O 3.16Å
370	Y	92.5	Very high	95.8	Very high	24 Å²	24	30.3 Å²	30.3	9%	0.094	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-133	159.9	-2.5	-71.6	-75.5	0	0	0	112.1	V334 N336 Y341 D343 I345 W350	V334-Y370 HydrophobicContact CB-CD1 3.93Å; V334-Y370 HydrophobicContact CB-CE1 4.12Å; V334-Y370 HydrophobicContact CG1-CD1 3.93Å; V334-Y370 HydrophobicContact CG1-CE1 3.74Å; V334-Y370 CarbonylContact O-C 3.56Å; V334-Y370 WeakPolarHBondContact O-CA 3.14Å; V334-Y370 WeakPolarHBondContact O-CD1 3.25Å; N336-Y370 HydrophobicContact CB-CD1 3.32Å; N336-Y370 HydrophobicContact CB-CD2 4.27Å; N336-Y370 HydrophobicContact CB-CE1 3.73Å; N336-Y370 HydrophobicContact CB-CG 3.62Å; N336-Y370 WeakPolarHBondContact ND2-CE2 3.26Å; Y341-Y370 AromaticContact CD1-CD2 3.93Å; Y341-Y370 HydrophobicContact CD1-CD2 3.93Å; Y341-Y370 HydrophobicContact CD1-CG 4.39Å; D343-Y370 PolarHBondContact OD1-OH 3.17Å; D343-Y370 PolarHBondContact OD2-OH 3.2Å; I345-Y370 PolarHBondContact O-N 2.86Å; W350-Y370 PolarHBondContact NE1-O 3.48Å
371	G	91.8	Very high	95.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	165.8	173.7	0	0	0	0	0	114	V334 G335 N336	V334-G371 PolarHBondContact O-N 2.87Å; G335-G371 WeakPolarHBondContact CA-O 3.42Å; N336-G371 PolarHBondContact N-O 2.81Å
372	Q	87.4	Confident	95.9	Very high	22 Å²	22	27.2 Å²	27.2	10%	0.103	15%	0.153	C	C	.	.			trans	-143.6	176.7	164.9	-70	-175.6	7.3	0	0	107.1	N336 W337 Y341 P347 W374 V375 F376	N336-Q372 PolarHBondContact O-NE2 3.01Å; W337-Q372 HydrophobicContact CD2-CG 4.04Å; W337-Q372 HydrophobicContact CG-CG 4.24Å; W337-Q372 HydrophobicContact CZ2-CB 4.15Å; W337-Q372 HydrophobicContact CZ2-CG 4.09Å; Y341-Q372 PolarHBondContact OH-NE2 3.17Å; P347-Q372 HydrophobicContact CB-CB 4.07Å; P347-Q372 HydrophobicContact CB-CG 3.75Å; P347-Q372 HydrophobicContact CG-CG 3.78Å; Q372-W374 HydrophobicContact CB-CE3 4.24Å; Q372-W374 HydrophobicContact CB-CH2 4.02Å; Q372-W374 HydrophobicContact CB-CZ2 4.38Å; Q372-W374 HydrophobicContact CB-CZ3 3.93Å; Q372-W374 HydrophobicContact CG-CH2 4.47Å; Q372-W374 PolarHBondContact O-N 2.9Å; Q372-W374 VanDerWaalsContact O-N 3.14Å; Q372-W374 VanDerWaalsContact OE1-CZ3 3.28Å; Q372-V375 WeakPolarHBondContact O-CA 3.39Å; Q372-V375 VanDerWaalsContact O-CB 3.31Å; Q372-V375 WeakPolarHBondContact O-CB 3.39Å; Q372-V375 PolarHBondContact O-N 2.83Å; Q372-F376 VanDerWaalsContact O-CD2 3.26Å; Q372-F376 WeakPolarHBondContact O-CD2 3.33Å; Q372-F376 PolarHBondContact O-N 2.73Å
373	C	92.5	Very high	96	Very high	4 Å²	4	22.4 Å²	22.4	3%	0.027	12%	0.119	C	C	.	.	H	α-helix	trans	-44.4	-50.3	-170.4	54.8	0	0	0	0	115.4	V375 F376 S377 H432 V433 T457	C373-V375 VanDerWaalsContact C-N 3.26Å; C373-V375 PolarHBondContact O-N 2.82Å; C373-F376 PolarHBondContact O-N 2.82Å; C373-S377 WeakPolarHBondContact O-CB 3.05Å; C373-S377 PolarHBondContact O-N 3.11Å; C373-H432 VanDerWaalsContact CB-CE1 3.44Å; C373-H432 WeakPolarHBondContact CB-CE1 3.07Å; C373-H432 WeakPolarHBondContact CB-ND1 3.25Å; C373-V433 HydrophobicContact CB-CB 4.34Å; C373-T457 WeakPolarHBondContact CA-OG1 3.45Å; C373-T457 HydrophobicContact CB-CG2 4.32Å
374	W	92.9	Very high	96.2	Very high	34 Å²	34	20.2 Å²	20.2	13%	0.129	10%	0.104	C	C	.	.	H	α-helix	trans	-63.6	-28.3	177.7	69.3	83.3	0	0	0	114.1	I270 P347 A348 Q372 G378 F431 V433	I270-W374 HydrophobicContact CG2-CB 3.99Å; P347-W374 HydrophobicContact CB-CZ2 3.98Å; P347-W374 PolarHBondContact O-NE1 3.05Å; P347-W374 VanDerWaalsContact O-NE1 3.16Å; A348-W374 HydrophobicContact CB-CZ2 4.4Å; Q372-W374 HydrophobicContact CB-CE3 4.24Å; Q372-W374 HydrophobicContact CB-CH2 4.02Å; Q372-W374 HydrophobicContact CB-CZ2 4.38Å; Q372-W374 HydrophobicContact CB-CZ3 3.93Å; Q372-W374 HydrophobicContact CG-CH2 4.47Å; Q372-W374 PolarHBondContact O-N 2.9Å; Q372-W374 VanDerWaalsContact O-N 3.14Å; Q372-W374 VanDerWaalsContact OE1-CZ3 3.28Å; W374-G378 PolarHBondContact O-N 2.93Å; W374-F431 HydrophobicContact CE3-CE2 4.11Å; W374-F431 HydrophobicContact CE3-CZ 4.1Å; W374-F431 HydrophobicContact CZ3-CZ 4.17Å; W374-V433 HydrophobicContact CB-CB 4.42Å; W374-V433 HydrophobicContact CB-CG2 4.13Å
375	V	96.9	Very high	96.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-75.8	-45.5	176.3	-170.2	0	0	0	0	109.7	W283 L333 P347 W350 I356 Q372 C373 G378 V379	W283-V375 HydrophobicContact CH2-CB 4.44Å; W283-V375 HydrophobicContact CH2-CG1 4.11Å; W283-V375 HydrophobicContact CH2-CG2 4.49Å; L333-V375 HydrophobicContact CD1-CG1 3.74Å; L333-V375 HydrophobicContact CD2-CG1 4.35Å; P347-V375 HydrophobicContact CB-CG2 4.11Å; P347-V375 WeakPolarHBondContact O-CG2 3.46Å; W350-V375 HydrophobicContact CG-CG1 4.33Å; I356-V375 HydrophobicContact CD1-CG1 3.67Å; Q372-V375 WeakPolarHBondContact O-CA 3.39Å; Q372-V375 VanDerWaalsContact O-CB 3.31Å; Q372-V375 WeakPolarHBondContact O-CB 3.39Å; Q372-V375 PolarHBondContact O-N 2.83Å; C373-V375 VanDerWaalsContact C-N 3.26Å; C373-V375 PolarHBondContact O-N 2.82Å; V375-G378 PolarHBondContact O-N 2.7Å; V375-V379 WeakPolarHBondContact O-CG2 3.28Å; V375-V379 PolarHBondContact O-N 2.76Å
376	F	98.3	Very high	96.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-59.3	-52.1	174.3	-64.8	-65.4	0	0	0	110.2	I324 N325 L333 W337 Q372 C373 G378 V379 T380 T457 P458	I324-F376 HydrophobicContact CG2-CB 4.3Å; I324-F376 HydrophobicContact CG2-CD1 3.91Å; N325-F376 HydrophobicContact CB-CE1 4.02Å; L333-F376 HydrophobicContact CB-CD1 3.87Å; L333-F376 HydrophobicContact CB-CE1 3.43Å; L333-F376 VanDerWaalsContact CB-CE1 3.43Å; L333-F376 HydrophobicContact CB-CZ 4.36Å; L333-F376 HydrophobicContact CD1-CD1 3.99Å; L333-F376 HydrophobicContact CD1-CE1 4.34Å; W337-F376 AromaticContact CH2-CE2 3.98Å; W337-F376 HydrophobicContact CH2-CE2 3.98Å; Q372-F376 VanDerWaalsContact O-CD2 3.26Å; Q372-F376 WeakPolarHBondContact O-CD2 3.33Å; Q372-F376 PolarHBondContact O-N 2.73Å; C373-F376 PolarHBondContact O-N 2.82Å; F376-G378 VanDerWaalsContact C-N 3.32Å; F376-G378 PolarHBondContact O-N 2.99Å; F376-V379 PolarHBondContact O-N 3.47Å; F376-V379 VanDerWaalsContact O-N 3.14Å; F376-T380 PolarHBondContact O-N 3Å; F376-T380 PolarHBondContact O-OG1 3.34Å; F376-T457 HydrophobicContact CD2-CG2 4.01Å; F376-T457 HydrophobicContact CE2-CG2 4.17Å; F376-P458 HydrophobicContact CZ-CG 4.43Å
377	S	98.3	Very high	96.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-58	-40.4	176.6	175.4	0	0	0	0	112.9	C373 T380 T381 S393 W434 N435	C373-S377 WeakPolarHBondContact O-CB 3.05Å; C373-S377 PolarHBondContact O-N 3.11Å; S377-T380 PolarHBondContact O-N 2.8Å; S377-T381 WeakPolarHBondContact O-CB 3.41Å; S377-T381 PolarHBondContact O-N 3.44Å; S377-T381 PolarHBondContact O-OG1 2.6Å; S377-S393 WeakPolarHBondContact OG-CB 3.5Å; S377-S393 PolarHBondContact OG-OG 2.86Å; S377-W434 PolarHBondContact OG-O 3.3Å; S377-N435 WeakPolarHBondContact CA-OD1 3.24Å; S377-N435 PolarHBondContact O-ND2 2.89Å; S377-N435 PolarHBondContact OG-ND2 2.87Å
378	G	98.1	Very high	96.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-58.9	-47.6	174.4	0	0	0	0	0	112.8	F285 S353 W374 V375 F376 T382	F285-G378 WeakPolarHBondContact CD1-O 3.47Å; S353-G378 VanDerWaalsContact OG-C 3.29Å; S353-G378 PolarHBondContact OG-O 3.44Å; W374-G378 PolarHBondContact O-N 2.93Å; V375-G378 PolarHBondContact O-N 2.7Å; F376-G378 VanDerWaalsContact C-N 3.32Å; F376-G378 PolarHBondContact O-N 2.99Å; G378-T382 PolarHBondContact O-N 2.77Å; G378-T382 PolarHBondContact O-OG1 3Å
379	V	98.8	Very high	96.7	Very high	0 Å²	0	10 Å²	10	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-70.5	-42.1	178.4	-175.6	0	0	0	0	111.5	I324 V332 L333 I356 L357 V375 F376 T382 V383	I324-V379 HydrophobicContact CD1-CB 4.41Å; I324-V379 HydrophobicContact CD1-CG1 3.59Å; V332-V379 HydrophobicContact CG1-CG1 4.42Å; L333-V379 HydrophobicContact CD1-CB 4.47Å; L333-V379 HydrophobicContact CD1-CG2 3.86Å; I356-V379 HydrophobicContact CB-CG2 4.35Å; I356-V379 HydrophobicContact CD1-CG2 3.87Å; I356-V379 HydrophobicContact CG2-CG2 4.17Å; L357-V379 HydrophobicContact CD1-CG1 4.21Å; L357-V379 HydrophobicContact CD2-CG1 3.67Å; L357-V379 HydrophobicContact CG-CG1 3.9Å; V375-V379 WeakPolarHBondContact O-CG2 3.28Å; V375-V379 PolarHBondContact O-N 2.76Å; F376-V379 PolarHBondContact O-N 3.47Å; F376-V379 VanDerWaalsContact O-N 3.14Å; V379-T382 WeakPolarHBondContact O-CA 3.49Å; V379-T382 VanDerWaalsContact O-CB 3.25Å; V379-T382 WeakPolarHBondContact O-CB 3.38Å; V379-T382 PolarHBondContact O-N 3.49Å; V379-V383 HydrophobicContact CG1-CG2 4.37Å; V379-V383 PolarHBondContact O-N 2.85Å
380	T	98.8	Very high	96.9	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-60.1	-47.6	176.9	-62.8	0	0	0	0	111.9	V320 F376 S377 T382 V383 L384 N435 S456	V320-T380 HydrophobicContact CG1-CG2 4.2Å; F376-T380 PolarHBondContact O-N 3Å; F376-T380 PolarHBondContact O-OG1 3.34Å; S377-T380 PolarHBondContact O-N 2.8Å; T380-T382 PolarHBondContact O-N 2.91Å; T380-V383 PolarHBondContact O-N 3.16Å; T380-L384 HydrophobicContact CG2-CD1 3.99Å; T380-L384 HydrophobicContact CG2-CG 4.26Å; T380-L384 WeakPolarHBondContact O-CG 3.32Å; T380-L384 PolarHBondContact O-N 2.86Å; T380-N435 VanDerWaalsContact CB-OD1 3.28Å; T380-N435 WeakPolarHBondContact CB-OD1 3.32Å; T380-N435 HydrophobicContact CG2-CB 4.13Å; T380-N435 WeakPolarHBondContact CG2-OD1 3.38Å; T380-S456 VanDerWaalsContact OG1-CB 3.31Å; T380-S456 WeakPolarHBondContact OG1-CB 3.39Å; T380-S456 PolarHBondContact OG1-OG 3.19Å
381	T	98.8	Very high	97.2	Very high	0 Å²	0	3 Å²	3	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-56.5	-37.4	173.5	-66.5	0	0	0	0	111	F285 S377 R385 A391 S393 N435	F285-T381 HydrophobicContact CD1-CG2 3.79Å; F285-T381 HydrophobicContact CD2-CG2 4.25Å; F285-T381 HydrophobicContact CE1-CG2 3.49Å; F285-T381 VanDerWaalsContact CE1-CG2 3.49Å; F285-T381 HydrophobicContact CE2-CG2 3.96Å; F285-T381 HydrophobicContact CG-CG2 4.18Å; F285-T381 HydrophobicContact CZ-CG2 3.58Å; S377-T381 WeakPolarHBondContact O-CB 3.41Å; S377-T381 PolarHBondContact O-N 3.44Å; S377-T381 PolarHBondContact O-OG1 2.6Å; T381-R385 HydrophobicContact CG2-CG 4.24Å; T381-R385 VanDerWaalsContact O-CB 3.32Å; T381-R385 WeakPolarHBondContact O-CB 3.41Å; T381-R385 VanDerWaalsContact O-CG 3.22Å; T381-R385 WeakPolarHBondContact O-CG 3.37Å; T381-R385 PolarHBondContact O-N 3.01Å; T381-A391 HydrophobicContact CG2-CB 4.5Å; T381-S393 PolarHBondContact OG1-N 2.97Å; T381-S393 PolarHBondContact OG1-OG 2.76Å; T381-N435 PolarHBondContact N-ND2 2.93Å; T381-N435 PolarHBondContact OG1-ND2 2.73Å
382	T	98.8	Very high	97.5	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-66.1	-49.2	178.7	-50.6	0	0	0	0	111.8	F285 Q287 I292 S353 L357 G378 V379 T380 R385 C386	F285-T382 WeakPolarHBondContact CA-OG1 3.23Å; F285-T382 HydrophobicContact CB-CG2 4.31Å; F285-T382 WeakPolarHBondContact CB-OG1 3.43Å; F285-T382 WeakPolarHBondContact O-CG2 3.48Å; Q287-T382 HydrophobicContact CB-CG2 4.15Å; I292-T382 HydrophobicContact CG2-CG2 4.22Å; S353-T382 WeakPolarHBondContact CB-OG1 3.42Å; S353-T382 PolarHBondContact OG-OG1 2.83Å; L357-T382 HydrophobicContact CD1-CG2 3.85Å; G378-T382 PolarHBondContact O-N 2.77Å; G378-T382 PolarHBondContact O-OG1 3Å; V379-T382 WeakPolarHBondContact O-CA 3.49Å; V379-T382 VanDerWaalsContact O-CB 3.25Å; V379-T382 WeakPolarHBondContact O-CB 3.38Å; V379-T382 PolarHBondContact O-N 3.49Å; T380-T382 PolarHBondContact O-N 2.91Å; T382-R385 PolarHBondContact O-N 3.21Å; T382-C386 WeakPolarHBondContact O-CB 3.29Å; T382-C386 PolarHBondContact O-N 3.42Å
383	V	98.9	Very high	98	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-63.9	-43.9	-179.5	176.1	0	0	0	0	110.8	C296 I299 V320 I324 L357 V379 T380 C386 L387	C296-V383 HydrophobicContact CB-CG1 4.25Å; I299-V383 HydrophobicContact CD1-CG2 4.03Å; V320-V383 HydrophobicContact CG1-CB 4.26Å; V320-V383 HydrophobicContact CG1-CG1 4.05Å; V320-V383 HydrophobicContact CG2-CG1 3.89Å; I324-V383 HydrophobicContact CD1-CG2 4.05Å; L357-V383 HydrophobicContact CD1-CG2 4.3Å; L357-V383 HydrophobicContact CD2-CG2 4.05Å; V379-V383 HydrophobicContact CG1-CG2 4.37Å; V379-V383 PolarHBondContact O-N 2.85Å; T380-V383 PolarHBondContact O-N 3.16Å; V383-C386 WeakPolarHBondContact O-CB 3.28Å; V383-C386 PolarHBondContact O-N 2.67Å; V383-L387 HydrophobicContact CG1-CD1 3.98Å; V383-L387 WeakPolarHBondContact O-CG 3.3Å; V383-L387 PolarHBondContact O-N 2.86Å
384	L	98.9	Very high	98.3	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	1%	0.01	C	C	.	.	H	α-helix	trans	-64.1	-47.1	179	-62.7	-174.3	0	0	0	111.9	V317 V320 T380 C386 L387 G388 I389 A391 C437	V317-L384 HydrophobicContact CG2-CD1 4.19Å; V317-L384 HydrophobicContact CG2-CD2 3.75Å; V320-L384 HydrophobicContact CB-CD2 4.28Å; V320-L384 HydrophobicContact CG1-CD2 4.14Å; V320-L384 HydrophobicContact CG2-CD2 4.25Å; T380-L384 HydrophobicContact CG2-CD1 3.99Å; T380-L384 HydrophobicContact CG2-CG 4.26Å; T380-L384 WeakPolarHBondContact O-CG 3.32Å; T380-L384 PolarHBondContact O-N 2.86Å; L384-C386 VanDerWaalsContact C-N 3.32Å; L384-C386 PolarHBondContact O-N 2.69Å; L384-L387 PolarHBondContact O-N 2.87Å; L384-G388 PolarHBondContact O-N 3.17Å; L384-G388 VanDerWaalsContact O-N 3.15Å; L384-I389 CarbonylContact C-O 3.56Å; L384-I389 VanDerWaalsContact C-O 3.32Å; L384-I389 HydrophobicContact CB-CB 4.25Å; L384-I389 HydrophobicContact CD2-CD1 4.23Å; L384-I389 PolarHBondContact O-N 2.74Å; L384-A391 HydrophobicContact CB-CB 3.75Å; L384-A391 HydrophobicContact CD1-CB 4.08Å; L384-C437 HydrophobicContact CD1-CB 3.87Å
385	R	98.8	Very high	98.6	Very high	4 Å²	4	0.9 Å²	0.9	2%	0.015	0%	0.004	C	C	.	.	H	α-helix	trans	-59.6	-41.1	174.3	-72	-174.4	-176.4	-161.5	-2.4	112.2	E261 Y262 N265 Q287 T381 T382 L387 G388 A391	E261-R385 PolarHBondContact O-NH1 2.9Å; E261-R385 PolarHBondContact O-NH2 2.93Å; Y262-R385 VanDerWaalsContact O-CG 3.32Å; Y262-R385 WeakPolarHBondContact O-CG 3.3Å; Y262-R385 PolarHBondContact O-NE 3.11Å; N265-R385 PolarHBondContact O-NH1 2.92Å; Q287-R385 HydrophobicContact CB-CB 4.37Å; Q287-R385 HydrophobicContact CG-CB 3.95Å; T381-R385 HydrophobicContact CG2-CG 4.24Å; T381-R385 VanDerWaalsContact O-CB 3.32Å; T381-R385 WeakPolarHBondContact O-CB 3.41Å; T381-R385 VanDerWaalsContact O-CG 3.22Å; T381-R385 WeakPolarHBondContact O-CG 3.37Å; T381-R385 PolarHBondContact O-N 3.01Å; T382-R385 PolarHBondContact O-N 3.21Å; R385-L387 VanDerWaalsContact C-N 3.3Å; R385-L387 PolarHBondContact O-N 2.95Å; R385-G388 PolarHBondContact O-N 2.7Å; R385-G388 VanDerWaalsContact O-N 3.09Å; R385-A391 VanDerWaalsContact CZ-O 3.26Å; R385-A391 PolarHBondContact NE-O 3.23Å; R385-A391 PolarHBondContact NH2-O 3.24Å
386	C	98.8	Very high	98.5	Very high	0 Å²	0	0.9 Å²	0.9	0%	0	0%	0.004	C	C	.	.	H	α-helix	trans	-65.2	-28.7	178.1	-165.7	0	0	0	0	113.9	Y127 Q287 L293 C296 T382 V383 L384	Y127-C386 PolarHBondContact OH-O 3.49Å; Q287-C386 HydrophobicContact CB-CB 3.75Å; Q287-C386 PolarHBondContact O-SG 2.92Å; L293-C386 VanDerWaalsContact CA-SG 3.54Å; C296-C386 HydrophobicContact CB-CB 4.28Å; C296-C386 VanDerWaalsContact SG-CB 3.54Å; C296-C386 VanDerWaalsContact SG-SG 3.62Å; T382-C386 WeakPolarHBondContact O-CB 3.29Å; T382-C386 PolarHBondContact O-N 3.42Å; V383-C386 WeakPolarHBondContact O-CB 3.28Å; V383-C386 PolarHBondContact O-N 2.67Å; L384-C386 VanDerWaalsContact C-N 3.32Å; L384-C386 PolarHBondContact O-N 2.69Å
387	L	98.8	Very high	98	Very high	0 Å²	0	0.9 Å²	0.9	0%	0	0%	0.004	C	C	.	.	H	α-helix	trans	-87.2	-9.5	174.9	-64.1	174.3	0	0	0	112.4	I212 F242 C296 L297 L300 V316 V383 L384 R385	I212-L387 HydrophobicContact CD1-CB 4.29Å; I212-L387 HydrophobicContact CD1-CD1 4.48Å; I212-L387 HydrophobicContact CD1-CD2 3.89Å; I212-L387 HydrophobicContact CD1-CG 4.44Å; F242-L387 WeakPolarHBondContact CB-O 3.27Å; F242-L387 HydrophobicContact CD2-CB 4.41Å; F242-L387 WeakPolarHBondContact CD2-O 3.43Å; F242-L387 PolarHBondContact N-O 3.37Å; C296-L387 HydrophobicContact CB-CD2 4.23Å; C296-L387 HydrophobicContact CB-CG 4.48Å; L297-L387 HydrophobicContact CD2-CD2 4.14Å; L300-L387 HydrophobicContact CD1-CD1 3.93Å; L300-L387 HydrophobicContact CD1-CD2 4.06Å; L300-L387 HydrophobicContact CD2-CD1 4.45Å; L300-L387 HydrophobicContact CG-CD1 4.42Å; V316-L387 HydrophobicContact CG1-CD1 3.87Å; V383-L387 HydrophobicContact CG1-CD1 3.98Å; V383-L387 WeakPolarHBondContact O-CG 3.3Å; V383-L387 PolarHBondContact O-N 2.86Å; L384-L387 PolarHBondContact O-N 2.87Å; R385-L387 VanDerWaalsContact C-N 3.3Å; R385-L387 PolarHBondContact O-N 2.95Å
388	G	98.7	Very high	97.2	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.3	11.5	-178.5	0	0	0	0	0	115.1	P244 L384 R385	P244-G388 VanDerWaalsContact CD-O 3.24Å; P244-G388 WeakPolarHBondContact CD-O 3Å; P244-G388 WeakPolarHBondContact CG-O 3.41Å; L384-G388 PolarHBondContact O-N 3.17Å; L384-G388 VanDerWaalsContact O-N 3.15Å; R385-G388 PolarHBondContact O-N 2.7Å; R385-G388 VanDerWaalsContact O-N 3.09Å
389	I	98.9	Very high	96.4	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.016	C	C	.	.			trans	-87.4	122.3	174.5	-55.9	-178.7	0	0	0	108.2	F242 V251 P313 V316 V317 L384 A391 C437	F242-I389 HydrophobicContact CB-CG1 4.32Å; F242-I389 HydrophobicContact CD2-CD1 3.9Å; F242-I389 HydrophobicContact CD2-CG1 3.54Å; F242-I389 HydrophobicContact CE2-CD1 3.73Å; F242-I389 HydrophobicContact CE2-CG1 3.93Å; F242-I389 HydrophobicContact CG-CG1 3.91Å; F242-I389 HydrophobicContact CZ-CD1 4.27Å; V251-I389 HydrophobicContact CG1-CG1 4.33Å; V251-I389 HydrophobicContact CG1-CG2 4.38Å; P313-I389 HydrophobicContact CB-CD1 4.07Å; V316-I389 HydrophobicContact CB-CD1 4.39Å; V316-I389 HydrophobicContact CG1-CD1 4Å; V317-I389 HydrophobicContact CG2-CD1 3.92Å; V317-I389 HydrophobicContact CG2-CG2 4.42Å; L384-I389 CarbonylContact C-O 3.56Å; L384-I389 VanDerWaalsContact C-O 3.32Å; L384-I389 HydrophobicContact CB-CB 4.25Å; L384-I389 HydrophobicContact CD2-CD1 4.23Å; L384-I389 PolarHBondContact O-N 2.74Å; I389-A391 PolarHBondContact O-N 3.05Å; I389-C437 HydrophobicContact CG2-CB 4.22Å
390	P	98.9	Very high	95.5	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.016	C	C	.	.			trans	-65.4	126.2	179.8	-14.3	27.2	0	0	0	110.4	P244 L253 Y262 V263 C437 W438	P244-P390 HydrophobicContact CB-CG 4.01Å; P244-P390 HydrophobicContact CG-CG 3.74Å; L253-P390 HydrophobicContact CB-CG 4.48Å; L253-P390 HydrophobicContact CD2-CB 3.91Å; L253-P390 HydrophobicContact CD2-CG 4.08Å; Y262-P390 WeakPolarHBondContact O-CA 3.26Å; V263-P390 HydrophobicContact CG2-CB 3.85Å; V263-P390 HydrophobicContact CG2-CG 3.9Å; P390-C437 CarbonylContact O-C 3.57Å; P390-C437 WeakPolarHBondContact O-CA 3.5Å; P390-W438 HydrophobicContact CB-CB 3.98Å; P390-W438 HydrophobicContact CG-CB 4.17Å; P390-W438 PolarHBondContact O-N 2.99Å
391	A	98.8	Very high	94.3	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.02	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	150.6	-173.1	0	0	0	0	0	113.2	Y262 T381 L384 R385 I389 D436 C437	Y262-A391 PolarHBondContact O-N 2.89Å; T381-A391 HydrophobicContact CG2-CB 4.5Å; L384-A391 HydrophobicContact CB-CB 3.75Å; L384-A391 HydrophobicContact CD1-CB 4.08Å; R385-A391 VanDerWaalsContact CZ-O 3.26Å; R385-A391 PolarHBondContact NE-O 3.23Å; R385-A391 PolarHBondContact NH2-O 3.24Å; I389-A391 PolarHBondContact O-N 3.05Å; A391-D436 CarbonylContact C-O 3.56Å; A391-D436 VanDerWaalsContact CA-O 3.28Å; A391-D436 WeakPolarHBondContact CA-O 3.48Å; A391-C437 HydrophobicContact CB-CB 4.36Å
392	R	98.6	Very high	92.9	Very high	8 Å²	8	4.5 Å²	4.5	3%	0.03	2%	0.021	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	147.4	175.2	66.1	-170.8	-174.9	175.8	0.2	111	Y262 V394 N435 D436 W451	Y262-R392 HydrophobicContact CD1-CB 3.85Å; Y262-R392 HydrophobicContact CE1-CB 3.87Å; Y262-R392 HydrophobicContact CE1-CG 4.3Å; Y262-R392 PolarHBondContact OH-NH1 2.72Å; R392-V394 HydrophobicContact CG-CG2 4.33Å; R392-N435 WeakPolarHBondContact O-CA 3.36Å; R392-D436 HydrophobicContact CG-CB 3.51Å; R392-D436 IonicContact CZ-OD2 3.2Å; R392-D436 VanDerWaalsContact CZ-OD2 3.22Å; R392-D436 PolarHBondContact N-O 2.9Å; R392-D436 IonicContact NE-OD2 2.84Å; R392-D436 PolarHBondContact NE-OD2 3.04Å; R392-D436 IonicContact NH2-OD2 3.79Å; R392-D436 PolarHBondContact NH2-OD2 2.84Å; R392-D436 PolarHBondContact O-N 3.12Å; R392-W451 HydrophobicContact CG-CH2 4.3Å; R392-W451 HydrophobicContact CG-CZ3 4.21Å
393	S	98.4	Very high	91.3	Very high	6 Å²	6	6.5 Å²	6.5	4%	0.042	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	140.2	169.7	-67.3	0	0	0	0	110.1	S377 T381 T525	S377-S393 WeakPolarHBondContact OG-CB 3.5Å; S377-S393 PolarHBondContact OG-OG 2.86Å; T381-S393 PolarHBondContact OG1-N 2.97Å; T381-S393 PolarHBondContact OG1-OG 2.76Å; S393-T525 PolarHBondContact O-OG1 3.27Å
394	V	98.7	Very high	89.9	Confident	0 Å²	0	10 Å²	10	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	129.3	-179.1	175	0	0	0	0	109	R392 V433 W434 D436 I523 S524 I536	R392-V394 HydrophobicContact CG-CG2 4.33Å; V394-V433 CarbonylContact O-C 3.47Å; V394-V433 VanDerWaalsContact O-CA 3.25Å; V394-V433 WeakPolarHBondContact O-CA 3.09Å; V394-V433 WeakPolarHBondContact O-CG1 3.35Å; V394-W434 HydrophobicContact CG1-CZ2 4.26Å; V394-W434 PolarHBondContact N-O 2.91Å; V394-W434 PolarHBondContact O-N 2.83Å; V394-D436 HydrophobicContact CG2-CB 3.72Å; V394-I523 HydrophobicContact CG1-CG2 3.48Å; V394-I523 VanDerWaalsContact CG1-CG2 3.48Å; V394-S524 WeakPolarHBondContact CA-O 3.39Å; V394-I536 HydrophobicContact CG1-CD1 3.99Å; V394-I536 HydrophobicContact CG2-CD1 3.86Å
395	T	98	Very high	88.7	Confident	1 Å²	1	13.3 Å²	13.3	1%	0.006	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	127.6	174.4	-58.5	0	0	0	0	109.9	Y271 F397 F431 H432 V433 I523 S524	Y271-T395 PolarHBondContact N-OG1 3.31Å; Y271-T395 WeakPolarHBondContact O-CG2 3.5Å; Y271-T395 PolarHBondContact O-OG1 3.09Å; T395-F397 HydrophobicContact CG2-CD2 4.32Å; T395-F397 HydrophobicContact CG2-CE1 4.17Å; T395-F397 HydrophobicContact CG2-CE2 3.73Å; T395-F397 HydrophobicContact CG2-CZ 3.64Å; T395-F431 HydrophobicContact CG2-CB 4.06Å; T395-F431 HydrophobicContact CG2-CD2 4.16Å; T395-H432 CarbonylContact C-O 3.57Å; T395-H432 VanDerWaalsContact CA-O 3.32Å; T395-H432 WeakPolarHBondContact CA-O 3.39Å; T395-V433 HydrophobicContact CG2-CG2 4.28Å; T395-I523 CarbonylContact O-C 3.35Å; T395-I523 VanDerWaalsContact O-CA 3.32Å; T395-I523 WeakPolarHBondContact O-CA 3.27Å; T395-S524 PolarHBondContact N-O 3.48Å; T395-S524 PolarHBondContact O-N 2.96Å
396	N	95.9	Very high	87.4	Confident	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	139.3	170.1	-178.3	25.1	0	0	0	109.8	S399 F431 H432 W434 E493 G520 I523	N396-S399 WeakPolarHBondContact ND2-CA 3.33Å; N396-S399 VanDerWaalsContact ND2-CB 3.32Å; N396-S399 WeakPolarHBondContact ND2-CB 3.45Å; N396-S399 PolarHBondContact ND2-OG 2.87Å; N396-F431 CarbonylContact O-C 3.59Å; N396-F431 WeakPolarHBondContact O-CA 3.5Å; N396-F431 WeakPolarHBondContact O-CB 3.46Å; N396-H432 PolarHBondContact N-O 2.97Å; N396-H432 PolarHBondContact O-N 2.79Å; N396-W434 HydrophobicContact CB-CE3 4.46Å; N396-W434 HydrophobicContact CB-CH2 3.35Å; N396-W434 HydrophobicContact CB-CZ2 4.21Å; N396-W434 HydrophobicContact CB-CZ3 3.49Å; N396-W434 VanDerWaalsContact CB-CZ3 3.49Å; N396-E493 PolarHBondContact ND2-O 2.81Å; N396-G520 VanDerWaalsContact OD1-CA 3.24Å; N396-G520 WeakPolarHBondContact OD1-CA 3.4Å; N396-I523 HydrophobicContact CB-CG1 4.43Å; N396-I523 WeakPolarHBondContact OD1-CG1 3.33Å
397	F	87.1	Confident	86.5	Confident	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	143.2	175	-61.7	-89.2	0	0	0	110.6	T274 E275 I278 T395 N430 F431 G520 H521 C522	T274-F397 VanDerWaalsContact C-CD1 3.43Å; E275-F397 HydrophobicContact CB-CB 4.07Å; I278-F397 HydrophobicContact CB-CZ 4.3Å; I278-F397 HydrophobicContact CD1-CD2 4.46Å; I278-F397 HydrophobicContact CD1-CE2 3.9Å; I278-F397 HydrophobicContact CD1-CZ 4.19Å; I278-F397 HydrophobicContact CG1-CE1 4.24Å; I278-F397 HydrophobicContact CG1-CE2 3.99Å; I278-F397 HydrophobicContact CG1-CZ 3.76Å; I278-F397 HydrophobicContact CG2-CE2 4.45Å; I278-F397 HydrophobicContact CG2-CZ 3.94Å; T395-F397 HydrophobicContact CG2-CD2 4.32Å; T395-F397 HydrophobicContact CG2-CE1 4.17Å; T395-F397 HydrophobicContact CG2-CE2 3.73Å; T395-F397 HydrophobicContact CG2-CZ 3.64Å; F397-N430 WeakPolarHBondContact CA-O 3.39Å; F397-F431 HydrophobicContact CD1-CB 3.65Å; F397-F431 HydrophobicContact CE1-CB 3.85Å; F397-F431 HydrophobicContact CG-CB 4.39Å; F397-G520 PolarHBondContact O-N 2.94Å; F397-H521 HydrophobicContact CB-CB 4.4Å; F397-H521 WeakPolarHBondContact CB-O 3.49Å; F397-H521 PolarHBondContact N-O 2.87Å; F397-H521 PolarHBondContact O-N 2.79Å; F397-C522 HydrophobicContact CD2-CB 3.95Å; F397-C522 WeakPolarHBondContact CD2-O 3.47Å
398	Q	81.1	Confident	85.5	Confident	50 Å²	50	13.1 Å²	13.1	23%	0.234	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.3	54.2	-164.3	-45.3	-68.1	5.1	0	0	110.8	E275 A400 V428 W429 N430 A518 V519 G520	E275-Q398 WeakPolarHBondContact OE2-CG 3.37Å; E275-Q398 PolarHBondContact OE2-NE2 3.14Å; Q398-A400 PolarHBondContact O-N 2.82Å; Q398-V428 HydrophobicContact CB-CG1 3.87Å; Q398-W429 CarbonylContact C-O 3.53Å; Q398-W429 VanDerWaalsContact CA-O 3.25Å; Q398-W429 WeakPolarHBondContact CA-O 3.42Å; Q398-W429 PolarHBondContact N-O 2.83Å; Q398-N430 PolarHBondContact N-O 3.01Å; Q398-N430 VanDerWaalsContact N-O 3.12Å; Q398-A518 VanDerWaalsContact CB-O 3.32Å; Q398-A518 WeakPolarHBondContact CB-O 3.23Å; Q398-V519 CarbonylContact O-C 3.06Å; Q398-V519 WeakPolarHBondContact O-CA 3.45Å; Q398-V519 WeakPolarHBondContact O-CB 3.3Å; Q398-G520 PolarHBondContact O-N 2.89Å
399	S	82.9	Confident	84.3	Confident	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	122.9	179	-159.7	0	0	0	0	109.4	N396 V428 W429 H432	N396-S399 WeakPolarHBondContact ND2-CA 3.33Å; N396-S399 VanDerWaalsContact ND2-CB 3.32Å; N396-S399 WeakPolarHBondContact ND2-CB 3.45Å; N396-S399 PolarHBondContact ND2-OG 2.87Å; S399-V428 CarbonylContact O-C 3.45Å; S399-V428 WeakPolarHBondContact O-CA 3.48Å; S399-W429 PolarHBondContact N-O 3.4Å; S399-W429 PolarHBondContact O-N 2.91Å; S399-H432 VanDerWaalsContact CB-CB 3.46Å
400	A	79.8	Confident	83.3	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	158.1	171.3	0	0	0	0	0	110.8	Q398 S427 A492 E493 S496 V519	Q398-A400 PolarHBondContact O-N 2.82Å; A400-S427 CarbonylContact C-O 3.49Å; A400-A492 VanDerWaalsContact CB-O 3.28Å; A400-A492 WeakPolarHBondContact CB-O 3.37Å; A400-E493 PolarHBondContact N-O 2.83Å; A400-E493 VanDerWaalsContact N-O 3.13Å; A400-S496 VanDerWaalsContact CB-OG 3.31Å; A400-S496 WeakPolarHBondContact CB-OG 3.45Å; A400-V519 HydrophobicContact CB-CB 4.43Å; A400-V519 HydrophobicContact CB-CG1 4.05Å
401	H	72.6	Confident	82.1	Confident	22 Å²	22	14.8 Å²	14.8	10%	0.102	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	91	162.8	-176.2	-92.8	0	0	0	107.6	T403 D426 S427 Q459 F489	H401-T403 WeakPolarHBondContact ND1-CG2 3.31Å; H401-D426 WeakPolarHBondContact O-CA 3.17Å; H401-S427 PolarHBondContact N-O 3.29Å; H401-S427 PolarHBondContact O-N 3.17Å; H401-Q459 PolarHBondContact CD2-OE1 2.81Å; H401-F489 AromaticContact CD2-CZ 3.83Å
402	D	69.1	Low	80.9	Confident	4 Å²	4	16.7 Å²	16.7	2%	0.021	9%	0.089	C	C	.	.			trans	-75.2	121.1	175.2	171.2	-1.4	0	0	0	109.1	D404 V405 S406 L407 A492	D402-D404 PolarHBondContact OD1-N 3.39Å; D402-V405 WeakPolarHBondContact OD1-CA 3.49Å; D402-V405 PolarHBondContact OD1-N 2.87Å; D402-V405 WeakPolarHBondContact OD2-CA 3.38Å; D402-S406 PolarHBondContact OD1-N 3.17Å; D402-S406 PolarHBondContact OD2-N 3.13Å; D402-S406 VanDerWaalsContact OD2-N 3.13Å; D402-L407 WeakPolarHBondContact OD2-CA 3.49Å; D402-L407 PolarHBondContact OD2-N 3.18Å; D402-A492 HydrophobicContact CB-CB 3.54Å
403	T	65.3	Low	79.6	Confident	41 Å²	41	17.9 Å²	17.9	25%	0.252	9%	0.094	S	C	.	.	S	Bend	trans	-99.8	-5.2	-174.9	56.1	0	0	0	0	114.3	H401 S425 D426	H401-T403 WeakPolarHBondContact ND1-CG2 3.31Å; T403-S425 WeakPolarHBondContact OG1-CB 3.44Å; T403-S425 PolarHBondContact OG1-OG 3.26Å; T403-D426 WeakPolarHBondContact CB-OD1 3.26Å; T403-D426 PolarHBondContact N-OD1 2.92Å; T403-D426 PolarHBondContact OG1-OD1 2.83Å
404	D	69	Low	78.5	Confident	73 Å²	73	19 Å²	19	39%	0.39	10%	0.1	S	C	.	.	S	Bend	trans	-132.8	11.3	-178.6	83.3	-8.1	0	0	0	115.4	D402 S406 S561 K562	D402-D404 PolarHBondContact OD1-N 3.39Å; D404-S406 PolarHBondContact O-N 3.29Å; D404-S406 WeakPolarHBondContact OD1-CB 3.4Å; D404-S406 PolarHBondContact OD1-N 2.83Å; D404-S406 PolarHBondContact OD1-OG 3.17Å; D404-S561 WeakPolarHBondContact O-CB 3.26Å; D404-S561 PolarHBondContact O-OG 2.91Å; D404-K562 IonicContact OD1-NZ 2.7Å; D404-K562 PolarHBondContact OD1-NZ 3.24Å; D404-K562 WeakPolarHBondContact OD2-CE 3.4Å; D404-K562 IonicContact OD2-NZ 2.69Å; D404-K562 PolarHBondContact OD2-NZ 2.84Å
405	V	73.7	Confident	77.8	Confident	71 Å²	71	22.6 Å²	22.6	43%	0.43	12%	0.117	S	C	.	.	S	Bend	trans	56.7	35.2	179	-156.8	0	0	0	0	111.7	D402 L407 P488 G560 S561	D402-V405 WeakPolarHBondContact OD1-CA 3.49Å; D402-V405 PolarHBondContact OD1-N 2.87Å; D402-V405 WeakPolarHBondContact OD2-CA 3.38Å; V405-L407 VanDerWaalsContact C-N 3.3Å; V405-P488 HydrophobicContact CG1-CB 3.73Å; V405-G560 CarbonylContact O-C 3.54Å; V405-G560 WeakPolarHBondContact O-CA 3.46Å; V405-S561 PolarHBondContact O-N 3.03Å; V405-S561 PolarHBondContact O-OG 2.77Å
406	S	72.6	Confident	76.7	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.148	C	C	.	.			trans	-78	-17.4	175.8	52	0	0	0	0	113.5	D402 D404 T408 S561 K562	D402-S406 PolarHBondContact OD1-N 3.17Å; D402-S406 PolarHBondContact OD2-N 3.13Å; D402-S406 VanDerWaalsContact OD2-N 3.13Å; D404-S406 PolarHBondContact O-N 3.29Å; D404-S406 WeakPolarHBondContact OD1-CB 3.4Å; D404-S406 PolarHBondContact OD1-N 2.83Å; D404-S406 PolarHBondContact OD1-OG 3.17Å; S406-T408 WeakPolarHBondContact CB-OG1 3.47Å; S406-T408 PolarHBondContact O-N 3.1Å; S406-T408 PolarHBondContact OG-OG1 2.69Å; S406-T408 VanDerWaalsContact OG-OG1 3.05Å; S406-S561 WeakPolarHBondContact CA-OG 3.46Å; S406-S561 WeakPolarHBondContact CB-OG 3.48Å; S406-S561 PolarHBondContact N-OG 3.25Å; S406-K562 VanDerWaalsContact CB-CD 3.48Å; S406-K562 PolarHBondContact OG-NZ 3.03Å; S406-K562 VanDerWaalsContact OG-NZ 3.1Å
407	L	79.9	Confident	75.5	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	65.6	22.8	-174.8	-48.5	175.3	0	0	0	112.5	D402 V405 V481 P488 A492 A556	D402-L407 WeakPolarHBondContact OD2-CA 3.49Å; D402-L407 PolarHBondContact OD2-N 3.18Å; V405-L407 VanDerWaalsContact C-N 3.3Å; L407-V481 HydrophobicContact CD1-CG1 4.44Å; L407-V481 HydrophobicContact CD1-CG2 3.95Å; L407-P488 HydrophobicContact CD2-CB 3.9Å; L407-P488 WeakPolarHBondContact CD2-O 3.39Å; L407-A492 HydrophobicContact CD2-CB 4.26Å; L407-A556 VanDerWaalsContact CD1-C 3.5Å; L407-A556 HydrophobicContact CD1-CB 4.09Å; L407-A556 WeakPolarHBondContact CD1-O 3.47Å
408	T	78.3	Confident	74.4	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	168.8	173.9	38.8	0	0	0	0	108.9	S406 D497 I499 V565 Y566	S406-T408 WeakPolarHBondContact CB-OG1 3.47Å; S406-T408 PolarHBondContact O-N 3.1Å; S406-T408 PolarHBondContact OG-OG1 2.69Å; S406-T408 VanDerWaalsContact OG-OG1 3.05Å; T408-D497 WeakPolarHBondContact CA-O 3.21Å; T408-I499 HydrophobicContact CG2-CD1 4.45Å; T408-I499 HydrophobicContact CG2-CG1 3.76Å; T408-V565 HydrophobicContact CG2-CG1 4.15Å; T408-Y566 HydrophobicContact CG2-CE2 4.2Å
409	T	72.9	Confident	73.8	Confident	4 Å²	4	39.8 Å²	39.8	3%	0.025	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	104.3	171.3	-62.9	0	0	0	0	107.8	D426 V428 S496 D497 K498 I499	T409-D426 HydrophobicContact CG2-CB 4.07Å; T409-V428 HydrophobicContact CG2-CG2 3.98Å; T409-S496 PolarHBondContact OG1-OG 3.35Å; T409-D497 PolarHBondContact N-O 3.45Å; T409-K498 HydrophobicContact CG2-CG 4.18Å; T409-K498 CarbonylContact O-C 3.59Å; T409-K498 WeakPolarHBondContact O-CA 3.48Å; T409-K498 WeakPolarHBondContact O-CG 3.44Å; T409-I499 PolarHBondContact O-N 2.76Å
410	D	78.5	Confident	73.3	Confident	4 Å²	4	40.4 Å²	40.4	2%	0.021	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	137.6	-167.6	-76.3	-34	0	0	0	113	Y412 D426 I499 W501 K562	D410-Y412 HydrophobicContact CB-CD2 4.43Å; D410-Y412 HydrophobicContact CB-CE2 3.67Å; D410-Y412 PolarHBondContact OD2-OH 2.91Å; D410-D426 PolarHBondContact N-OD2 2.78Å; D410-I499 WeakPolarHBondContact OD1-CB 3.48Å; D410-W501 VanDerWaalsContact CG-NE1 3.32Å; D410-W501 PolarHBondContact OD1-NE1 3.17Å; D410-K562 IonicContact OD2-NZ 2.67Å; D410-K562 PolarHBondContact OD2-NZ 3.07Å
411	V	72.1	Confident	72.9	Confident	26 Å²	26	48.8 Å²	48.8	16%	0.158	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	109.4	176.8	-178.1	0	0	0	0	109.8	F413 K498 I499 Y500 W501	V411-F413 HydrophobicContact CG1-CE1 4.38Å; V411-F413 HydrophobicContact CG1-CE2 4.08Å; V411-F413 HydrophobicContact CG1-CZ 3.9Å; V411-K498 HydrophobicContact CG2-CG 4.43Å; V411-I499 PolarHBondContact N-O 3.25Å; V411-Y500 HydrophobicContact CB-CD1 3.69Å; V411-Y500 HydrophobicContact CB-CE1 4.12Å; V411-Y500 HydrophobicContact CB-CG 4.43Å; V411-Y500 HydrophobicContact CG1-CD1 3.88Å; V411-Y500 HydrophobicContact CG1-CE1 4.21Å; V411-Y500 HydrophobicContact CG2-CD1 4.21Å; V411-Y500 HydrophobicContact CG2-CE1 4.16Å; V411-Y500 WeakPolarHBondContact O-CA 3.44Å; V411-W501 PolarHBondContact O-N 2.82Å
412	Y	75.1	Confident	73.1	Confident	40 Å²	40	55 Å²	55	16%	0.157	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	130.3	-179.9	-61	-82.9	0	0	0	111.9	D410 I420 L423 N424 W501 F509	D410-Y412 HydrophobicContact CB-CD2 4.43Å; D410-Y412 HydrophobicContact CB-CE2 3.67Å; D410-Y412 PolarHBondContact OD2-OH 2.91Å; Y412-I420 PolarHBondContact O-N 3.02Å; Y412-L423 HydrophobicContact CD2-CB 3.63Å; Y412-L423 WeakPolarHBondContact CD2-O 3.43Å; Y412-L423 HydrophobicContact CE2-CB 4.42Å; Y412-L423 HydrophobicContact CG-CB 3.92Å; Y412-L423 HydrophobicContact CG-CD1 4.15Å; Y412-N424 WeakPolarHBondContact CB-OD1 3.36Å; Y412-N424 PolarHBondContact N-OD1 3.23Å; Y412-N424 PolarHBondContact O-ND2 3.44Å; Y412-W501 WeakPolarHBondContact CA-O 3.15Å; Y412-W501 HydrophobicContact CD1-CB 3.53Å; Y412-W501 AromaticContact CD1-CG 3.93Å; Y412-W501 HydrophobicContact CD1-CG 3.93Å; Y412-W501 HydrophobicContact CE1-CB 3.74Å; Y412-W501 AromaticContact CE1-CD1 3.61Å; Y412-W501 HydrophobicContact CE1-CD2 4.3Å; Y412-W501 AromaticContact CE1-CG 3.61Å; Y412-W501 HydrophobicContact CE1-CG 3.61Å; Y412-W501 HydrophobicContact CG-CB 4.4Å; Y412-W501 AromaticContact CZ-CD1 3.9Å; Y412-F509 AromaticContact CD1-CD1 3.69Å; Y412-F509 HydrophobicContact CD1-CD1 3.69Å; Y412-F509 HydrophobicContact CD1-CD2 4.5Å; Y412-F509 AromaticContact CD1-CE1 3.72Å; Y412-F509 HydrophobicContact CD1-CE1 3.72Å; Y412-F509 HydrophobicContact CD1-CG 4.09Å; Y412-F509 HydrophobicContact CD1-CZ 4.14Å; Y412-F509 HydrophobicContact CE1-CD1 4.36Å; Y412-F509 HydrophobicContact CE1-CG 4.34Å; Y412-F509 HydrophobicContact CG-CE1 4.38Å
413	F	69.8	Low	73.3	Confident	33 Å²	33	57.7 Å²	57.7	15%	0.145	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	155.7	170.7	-57.4	-78.1	0	0	0	111.6	V411 M417 E418 P419 I420 Y500 W501 R503 I512	V411-F413 HydrophobicContact CG1-CE1 4.38Å; V411-F413 HydrophobicContact CG1-CE2 4.08Å; V411-F413 HydrophobicContact CG1-CZ 3.9Å; F413-M417 HydrophobicContact CB-SD 4.35Å; F413-M417 HydrophobicContact CD1-CE 4.43Å; F413-M417 VanDerWaalsContact CD1-O 3.3Å; F413-M417 WeakPolarHBondContact CD1-O 3.37Å; F413-M417 HydrophobicContact CD2-CE 3.75Å; F413-M417 HydrophobicContact CD2-SD 4.36Å; F413-M417 HydrophobicContact CE2-CE 3.86Å; F413-M417 HydrophobicContact CG-CE 4.04Å; F413-M417 HydrophobicContact CG-SD 4.42Å; F413-M417 HydrophobicContact CZ-CE 4.28Å; F413-E418 CarbonylContact C-O 3.5Å; F413-E418 VanDerWaalsContact CA-O 3.31Å; F413-E418 WeakPolarHBondContact CA-O 3.43Å; F413-P419 HydrophobicContact CD1-CB 4.5Å; F413-P419 HydrophobicContact CD1-CG 4.26Å; F413-P419 HydrophobicContact CE1-CG 4.16Å; F413-I420 VanDerWaalsContact C-CD1 3.47Å; F413-I420 WeakPolarHBondContact O-CD1 3.46Å; F413-Y500 AromaticContact CE2-CD1 3.76Å; F413-Y500 HydrophobicContact CE2-CD1 3.76Å; F413-Y500 HydrophobicContact CE2-CG 4.47Å; F413-Y500 HydrophobicContact CZ-CD1 4.09Å; F413-W501 PolarHBondContact N-O 3.44Å; F413-R503 PolarHBondContact O-N 2.84Å; F413-I512 HydrophobicContact CD2-CD1 4.1Å; F413-I512 HydrophobicContact CE2-CD1 4.34Å
414	D	76.3	Confident	73.6	Confident	31 Å²	31	57.6 Å²	57.6	17%	0.166	29%	0.292	C	S	.	.			trans	-77.6	-178.3	170.5	89.4	-26	0	0	0	112.5	N416 M417 E418 I420 Q502	D414-N416 PolarHBondContact O-N 3.2Å; D414-N416 VanDerWaalsContact OD1-CA 3.28Å; D414-N416 WeakPolarHBondContact OD1-CA 3.42Å; D414-N416 WeakPolarHBondContact OD1-CB 3.28Å; D414-N416 PolarHBondContact OD1-N 2.79Å; D414-N416 PolarHBondContact OD2-ND2 2.86Å; D414-M417 PolarHBondContact O-N 3.38Å; D414-M417 VanDerWaalsContact O-N 3.14Å; D414-M417 PolarHBondContact OD1-N 2.96Å; D414-M417 VanDerWaalsContact OD1-N 3.09Å; D414-E418 PolarHBondContact N-O 2.9Å; D414-E418 PolarHBondContact OD1-N 2.85Å; D414-I420 HydrophobicContact CB-CD1 4.33Å; D414-I420 HydrophobicContact CB-CG1 4.15Å; D414-Q502 VanDerWaalsContact O-CG 3.28Å; D414-Q502 WeakPolarHBondContact O-CG 3.39Å; D414-Q502 PolarHBondContact O-NE2 2.88Å
415	E	83.6	Confident	73.4	Confident	74 Å²	74	58 Å²	58	35%	0.346	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-18.3	177	-62.5	90.7	144.9	0	0	113.7	Q502 R503 L505	E415-Q502 PolarHBondContact O-NE2 2.82Å; E415-R503 HydrophobicContact CG-CB 4.43Å; E415-R503 WeakPolarHBondContact OE1-CD 3.43Å; E415-R503 IonicContact OE1-NH1 3.22Å; E415-R503 IonicContact OE2-CZ 2.89Å; E415-R503 IonicContact OE2-NH1 2.69Å; E415-R503 PolarHBondContact OE2-NH1 2.85Å; E415-R503 VanDerWaalsContact OE2-NH1 3.07Å; E415-L505 HydrophobicContact CG-CD2 4.33Å
416	N	74.8	Confident	72.9	Confident	124 Å²	124	55.7 Å²	55.7	66%	0.663	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	1.4	-177.5	-51.1	-79.2	0	0	0	113.7	D414	D414-N416 PolarHBondContact O-N 3.2Å; D414-N416 VanDerWaalsContact OD1-CA 3.28Å; D414-N416 WeakPolarHBondContact OD1-CA 3.42Å; D414-N416 WeakPolarHBondContact OD1-CB 3.28Å; D414-N416 PolarHBondContact OD1-N 2.79Å; D414-N416 PolarHBondContact OD2-ND2 2.86Å
417	M	70.9	Confident	72.6	Confident	84 Å²	84	58 Å²	58	41%	0.414	30%	0.302	S	S	.	.	S	Bend	trans	72.5	18.7	-170.5	-64.4	-68.5	-57	0	0	115.6	F413 D414 Q502 I512	F413-M417 HydrophobicContact CB-SD 4.35Å; F413-M417 HydrophobicContact CD1-CE 4.43Å; F413-M417 VanDerWaalsContact CD1-O 3.3Å; F413-M417 WeakPolarHBondContact CD1-O 3.37Å; F413-M417 HydrophobicContact CD2-CE 3.75Å; F413-M417 HydrophobicContact CD2-SD 4.36Å; F413-M417 HydrophobicContact CE2-CE 3.86Å; F413-M417 HydrophobicContact CG-CE 4.04Å; F413-M417 HydrophobicContact CG-SD 4.42Å; F413-M417 HydrophobicContact CZ-CE 4.28Å; D414-M417 PolarHBondContact O-N 3.38Å; D414-M417 VanDerWaalsContact O-N 3.14Å; D414-M417 PolarHBondContact OD1-N 2.96Å; D414-M417 VanDerWaalsContact OD1-N 3.09Å; M417-Q502 VanDerWaalsContact SD-CD 3.58Å; M417-Q502 HydrophobicContact SD-CG 3.97Å; M417-I512 HydrophobicContact CE-CD1 3.62Å; M417-I512 HydrophobicContact SD-CD1 3.77Å
418	E	63.7	Low	71.8	Confident	130 Å²	130	60.2 Å²	60.2	61%	0.607	32%	0.315	S	S	*	.			trans	-85.4	139.1	172	-67.1	-65.6	162.1	0	0	111.1	F413 D414	F413-E418 CarbonylContact C-O 3.5Å; F413-E418 VanDerWaalsContact CA-O 3.31Å; F413-E418 WeakPolarHBondContact CA-O 3.43Å; D414-E418 PolarHBondContact N-O 2.9Å; D414-E418 PolarHBondContact OD1-N 2.85Å
419	P	68	Low	71.4	Confident	74 Å²	74	64.2 Å²	64.2	48%	0.481	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-66.2	134.3	-177	-20.8	32.5	0	0	0	113.7	F413 E421	F413-P419 HydrophobicContact CD1-CB 4.5Å; F413-P419 HydrophobicContact CD1-CG 4.26Å; F413-P419 HydrophobicContact CE1-CG 4.16Å; P419-E421 PolarHBondContact O-N 3.14Å
420	I	74.2	Confident	71.2	Confident	13 Å²	13	69.1 Å²	69.1	7%	0.067	36%	0.356	C	S	.	.			trans	-89.3	89.4	176.4	-54.5	167.6	0	0	0	109.5	Y412 F413 D414 H422 L423 N424 F509	Y412-I420 PolarHBondContact O-N 3.02Å; F413-I420 VanDerWaalsContact C-CD1 3.47Å; F413-I420 WeakPolarHBondContact O-CD1 3.46Å; D414-I420 HydrophobicContact CB-CD1 4.33Å; D414-I420 HydrophobicContact CB-CG1 4.15Å; I420-H422 VanDerWaalsContact C-N 3.26Å; I420-H422 WeakPolarHBondContact CG2-CE1 3.42Å; I420-H422 PolarHBondContact O-N 3.19Å; I420-L423 HydrophobicContact CB-CB 4.4Å; I420-L423 HydrophobicContact CB-CD1 4.22Å; I420-L423 HydrophobicContact CB-CG 4.4Å; I420-L423 HydrophobicContact CD1-CD1 4.06Å; I420-L423 HydrophobicContact CG2-CB 4.18Å; I420-L423 HydrophobicContact CG2-CD1 3.78Å; I420-L423 HydrophobicContact CG2-CG 3.75Å; I420-L423 PolarHBondContact O-N 3.23Å; I420-N424 PolarHBondContact O-N 3.43Å; I420-N424 PolarHBondContact O-ND2 2.85Å; I420-F509 HydrophobicContact CD1-CE1 3.85Å; I420-F509 HydrophobicContact CD1-CZ 3.83Å
421	E	70.2	Confident	71.5	Confident	177 Å²	177	70.6 Å²	70.6	83%	0.827	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-46.1	-43	-174.5	-63.8	-175.4	154.8	0	0	114.4	P419 L423 N424	P419-E421 PolarHBondContact O-N 3.14Å; E421-L423 VanDerWaalsContact C-N 3.26Å; E421-L423 PolarHBondContact O-N 3.04Å; E421-N424 PolarHBondContact O-N 2.94Å
422	H	77.1	Confident	72.5	Confident	153 Å²	153	69.5 Å²	69.5	71%	0.708	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-79	-1.4	-176.3	69.1	-96.5	0	0	0	115.1	I420	I420-H422 VanDerWaalsContact C-N 3.26Å; I420-H422 WeakPolarHBondContact CG2-CE1 3.42Å; I420-H422 PolarHBondContact O-N 3.19Å
423	L	74.3	Confident	73.5	Confident	59 Å²	59	67.6 Å²	67.6	31%	0.309	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-109.9	-11.9	171	-60.8	180	0	0	0	112.2	Y412 I420 E421 S425 F509	Y412-L423 HydrophobicContact CD2-CB 3.63Å; Y412-L423 WeakPolarHBondContact CD2-O 3.43Å; Y412-L423 HydrophobicContact CE2-CB 4.42Å; Y412-L423 HydrophobicContact CG-CB 3.92Å; Y412-L423 HydrophobicContact CG-CD1 4.15Å; I420-L423 HydrophobicContact CB-CB 4.4Å; I420-L423 HydrophobicContact CB-CD1 4.22Å; I420-L423 HydrophobicContact CB-CG 4.4Å; I420-L423 HydrophobicContact CD1-CD1 4.06Å; I420-L423 HydrophobicContact CG2-CB 4.18Å; I420-L423 HydrophobicContact CG2-CD1 3.78Å; I420-L423 HydrophobicContact CG2-CG 3.75Å; I420-L423 PolarHBondContact O-N 3.23Å; E421-L423 VanDerWaalsContact C-N 3.26Å; E421-L423 PolarHBondContact O-N 3.04Å; L423-S425 PolarHBondContact O-N 3Å; L423-F509 HydrophobicContact CD1-CE1 4.45Å; L423-F509 HydrophobicContact CD1-CE2 4.08Å; L423-F509 HydrophobicContact CD1-CZ 3.58Å
424	N	70	Confident	74.8	Confident	40 Å²	40	66 Å²	66	21%	0.214	34%	0.341	C	S	.	.			trans	-100.7	62.7	-175.2	-64.8	-20.2	0	0	0	110.1	Y412 I420 E421	Y412-N424 WeakPolarHBondContact CB-OD1 3.36Å; Y412-N424 PolarHBondContact N-OD1 3.23Å; Y412-N424 PolarHBondContact O-ND2 3.44Å; I420-N424 PolarHBondContact O-N 3.43Å; I420-N424 PolarHBondContact O-ND2 2.85Å; E421-N424 PolarHBondContact O-N 2.94Å
425	S	66.2	Low	75.9	Confident	80 Å²	80	64.6 Å²	64.6	56%	0.559	33%	0.333	S	S	*	.			trans	-79.4	-29.2	177	48.6	0	0	0	0	113.3	T403 L423	T403-S425 WeakPolarHBondContact OG1-CB 3.44Å; T403-S425 PolarHBondContact OG1-OG 3.26Å; L423-S425 PolarHBondContact O-N 3Å
426	D	63.5	Low	76.6	Confident	23 Å²	23	61 Å²	61	12%	0.123	32%	0.317	C	S	.	.			trans	-64	147.3	175	-65.9	-16	0	0	0	111.2	H401 T403 T409 D410	H401-D426 WeakPolarHBondContact O-CA 3.17Å; T403-D426 WeakPolarHBondContact CB-OD1 3.26Å; T403-D426 PolarHBondContact N-OD1 2.92Å; T403-D426 PolarHBondContact OG1-OD1 2.83Å; T409-D426 HydrophobicContact CG2-CB 4.07Å; D410-D426 PolarHBondContact N-OD2 2.78Å
427	S	64.4	Low	77.7	Confident	49 Å²	49	55.1 Å²	55.1	34%	0.343	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	156.5	178.1	59.4	0	0	0	0	112.1	A400 H401	A400-S427 CarbonylContact C-O 3.49Å; H401-S427 PolarHBondContact N-O 3.29Å; H401-S427 PolarHBondContact O-N 3.17Å
428	V	64.7	Low	79.1	Confident	47 Å²	47	52.2 Å²	52.2	29%	0.285	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	115	171.7	-177.6	0	0	0	0	108	Q398 S399 T409 V519	Q398-V428 HydrophobicContact CB-CG1 3.87Å; S399-V428 CarbonylContact O-C 3.45Å; S399-V428 WeakPolarHBondContact O-CA 3.48Å; T409-V428 HydrophobicContact CG2-CG2 3.98Å; V428-V519 HydrophobicContact CG1-CG1 4.27Å; V428-V519 HydrophobicContact CG2-CG1 4.12Å
429	W	70.2	Confident	80.7	Confident	84 Å²	84	46 Å²	46	32%	0.318	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	129.8	178.9	-66.3	74.7	0	0	0	109.9	W337 Q398 S399 F431	W337-W429 AromaticContact CD1-CH2 3.93Å; W337-W429 AromaticContact CD1-CZ3 3.88Å; W337-W429 AromaticContact NE1-CH2 3.59Å; W337-W429 AromaticContact NE1-CZ3 3.53Å; Q398-W429 CarbonylContact C-O 3.53Å; Q398-W429 VanDerWaalsContact CA-O 3.25Å; Q398-W429 WeakPolarHBondContact CA-O 3.42Å; Q398-W429 PolarHBondContact N-O 2.83Å; S399-W429 PolarHBondContact N-O 3.4Å; S399-W429 PolarHBondContact O-N 2.91Å; W429-F431 PolarHBondContact O-N 3.03Å
430	N	68.4	Low	82.1	Confident	106 Å²	106	42.9 Å²	42.9	57%	0.567	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-45.9	-42.1	175.4	-68.3	-35.8	0	0	0	112.2	F397 Q398	F397-N430 WeakPolarHBondContact CA-O 3.39Å; Q398-N430 PolarHBondContact N-O 3.01Å; Q398-N430 VanDerWaalsContact N-O 3.12Å
431	F	83.6	Confident	83.2	Confident	36 Å²	36	42.5 Å²	42.5	16%	0.158	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	154.4	162.7	71.2	-80.4	0	0	0	110.3	G273 W374 T395 N396 F397 W429 V433	G273-F431 WeakPolarHBondContact O-CD1 3.39Å; W374-F431 HydrophobicContact CE3-CE2 4.11Å; W374-F431 HydrophobicContact CE3-CZ 4.1Å; W374-F431 HydrophobicContact CZ3-CZ 4.17Å; T395-F431 HydrophobicContact CG2-CB 4.06Å; T395-F431 HydrophobicContact CG2-CD2 4.16Å; N396-F431 CarbonylContact O-C 3.59Å; N396-F431 WeakPolarHBondContact O-CA 3.5Å; N396-F431 WeakPolarHBondContact O-CB 3.46Å; F397-F431 HydrophobicContact CD1-CB 3.65Å; F397-F431 HydrophobicContact CE1-CB 3.85Å; F397-F431 HydrophobicContact CG-CB 4.39Å; W429-F431 PolarHBondContact O-N 3.03Å; F431-V433 HydrophobicContact CD2-CG2 3.81Å; F431-V433 HydrophobicContact CE2-CG2 3.93Å
432	H	93.2	Very high	84.3	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.009	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	161.4	167.2	-174.9	31.5	0	0	0	109.9	C373 T395 N396 S399 W434 D455 T457 Q459 E493	C373-H432 VanDerWaalsContact CB-CE1 3.44Å; C373-H432 WeakPolarHBondContact CB-CE1 3.07Å; C373-H432 WeakPolarHBondContact CB-ND1 3.25Å; T395-H432 CarbonylContact C-O 3.57Å; T395-H432 VanDerWaalsContact CA-O 3.32Å; T395-H432 WeakPolarHBondContact CA-O 3.39Å; N396-H432 PolarHBondContact N-O 2.97Å; N396-H432 PolarHBondContact O-N 2.79Å; S399-H432 VanDerWaalsContact CB-CB 3.46Å; H432-W434 AromaticContact CD2-CE3 3.61Å; H432-W434 AromaticContact CD2-CZ3 3.98Å; H432-D455 IonicContact CE1-OD1 3.96Å; H432-D455 IonicContact CE1-OD2 2.62Å; H432-D455 PolarHBondContact CE1-OD2 2.89Å; H432-D455 IonicContact NE2-OD1 3.61Å; H432-D455 IonicContact NE2-OD2 2.6Å; H432-D455 PolarHBondContact NE2-OD2 3.26Å; H432-T457 PolarHBondContact CE1-OG1 2.9Å; H432-Q459 PolarHBondContact NE2-NE2 3.46Å; H432-E493 IonicContact CD2-OE1 3.94Å; H432-E493 PolarHBondContact CD2-OE1 2.83Å; H432-E493 IonicContact NE2-OE1 3.89Å
433	V	95.9	Very high	85.2	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	118.2	-177.7	-166.9	0	0	0	0	111.5	I270 C373 W374 V394 T395 F431	I270-V433 HydrophobicContact CG2-CG1 3.72Å; I270-V433 HydrophobicContact CG2-CG2 4.11Å; C373-V433 HydrophobicContact CB-CB 4.34Å; W374-V433 HydrophobicContact CB-CB 4.42Å; W374-V433 HydrophobicContact CB-CG2 4.13Å; V394-V433 CarbonylContact O-C 3.47Å; V394-V433 VanDerWaalsContact O-CA 3.25Å; V394-V433 WeakPolarHBondContact O-CA 3.09Å; V394-V433 WeakPolarHBondContact O-CG1 3.35Å; T395-V433 HydrophobicContact CG2-CG2 4.28Å; F431-V433 HydrophobicContact CD2-CG2 3.81Å; F431-V433 HydrophobicContact CE2-CG2 3.93Å
434	W	98.4	Very high	86.2	Confident	1 Å²	1	32.7 Å²	32.7	0%	0.004	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	-160.6	176.1	62.9	81	0	0	0	111.2	S377 V394 N396 H432 D455 E493 V494 Y540	S377-W434 PolarHBondContact OG-O 3.3Å; V394-W434 HydrophobicContact CG1-CZ2 4.26Å; V394-W434 PolarHBondContact N-O 2.91Å; V394-W434 PolarHBondContact O-N 2.83Å; N396-W434 HydrophobicContact CB-CE3 4.46Å; N396-W434 HydrophobicContact CB-CH2 3.35Å; N396-W434 HydrophobicContact CB-CZ2 4.21Å; N396-W434 HydrophobicContact CB-CZ3 3.49Å; N396-W434 VanDerWaalsContact CB-CZ3 3.49Å; H432-W434 AromaticContact CD2-CE3 3.61Å; H432-W434 AromaticContact CD2-CZ3 3.98Å; W434-D455 HydrophobicContact CB-CB 3.88Å; W434-E493 HydrophobicContact CH2-CB 4.45Å; W434-E493 HydrophobicContact CZ3-CB 4.31Å; W434-V494 HydrophobicContact CH2-CG1 3.56Å; W434-V494 HydrophobicContact CZ2-CG1 3.96Å; W434-Y540 HydrophobicContact CZ2-CD1 4.25Å; W434-Y540 AromaticContact CZ2-CE1 3.64Å; W434-Y540 HydrophobicContact CZ2-CE1 3.64Å; W434-Y540 AromaticContact NE1-CE1 3.95Å; W434-Y540 AromaticContact NE1-CZ 3.65Å; W434-Y540 PolarHBondContact NE1-OH 3.05Å
435	N	98.7	Very high	87.2	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	135.1	179.8	-57.2	91.2	0	0	0	111.8	S377 T380 T381 R392 V454	S377-N435 WeakPolarHBondContact CA-OD1 3.24Å; S377-N435 PolarHBondContact O-ND2 2.89Å; S377-N435 PolarHBondContact OG-ND2 2.87Å; T380-N435 VanDerWaalsContact CB-OD1 3.28Å; T380-N435 WeakPolarHBondContact CB-OD1 3.32Å; T380-N435 HydrophobicContact CG2-CB 4.13Å; T380-N435 WeakPolarHBondContact CG2-OD1 3.38Å; T381-N435 PolarHBondContact N-ND2 2.93Å; T381-N435 PolarHBondContact OG1-ND2 2.73Å; R392-N435 WeakPolarHBondContact O-CA 3.36Å; N435-V454 HydrophobicContact CB-CB 4.45Å; N435-V454 WeakPolarHBondContact CB-O 3.25Å; N435-V454 PolarHBondContact N-O 3.19Å; N435-V454 PolarHBondContact O-N 3.31Å
436	D	98.7	Very high	88.3	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	130	159.7	-101.9	-1.6	0	0	0	107.5	A391 R392 V394 W451 Q452 Y540	A391-D436 CarbonylContact C-O 3.56Å; A391-D436 VanDerWaalsContact CA-O 3.28Å; A391-D436 WeakPolarHBondContact CA-O 3.48Å; R392-D436 HydrophobicContact CG-CB 3.51Å; R392-D436 IonicContact CZ-OD2 3.2Å; R392-D436 VanDerWaalsContact CZ-OD2 3.22Å; R392-D436 PolarHBondContact N-O 2.9Å; R392-D436 IonicContact NE-OD2 2.84Å; R392-D436 PolarHBondContact NE-OD2 3.04Å; R392-D436 IonicContact NH2-OD2 3.79Å; R392-D436 PolarHBondContact NH2-OD2 2.84Å; R392-D436 PolarHBondContact O-N 3.12Å; V394-D436 HydrophobicContact CG2-CB 3.72Å; D436-W451 HydrophobicContact CB-CD2 4.23Å; D436-W451 HydrophobicContact CB-CE3 3.65Å; D436-W451 HydrophobicContact CB-CZ3 4.16Å; D436-Q452 WeakPolarHBondContact CA-O 3.4Å; D436-Y540 PolarHBondContact OD1-OH 3.29Å
437	C	98.4	Very high	89.5	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	145.5	169.8	65.5	0	0	0	0	111.8	L384 I389 P390 A391 Q452 V454	L384-C437 HydrophobicContact CD1-CB 3.87Å; I389-C437 HydrophobicContact CG2-CB 4.22Å; P390-C437 CarbonylContact O-C 3.57Å; P390-C437 WeakPolarHBondContact O-CA 3.5Å; A391-C437 HydrophobicContact CB-CB 4.36Å; C437-Q452 PolarHBondContact N-O 3.39Å; C437-Q452 PolarHBondContact O-N 2.59Å; C437-V454 VanDerWaalsContact SG-CG2 3.55Å
438	W	98.7	Very high	91	Very high	23 Å²	23	30.2 Å²	30.2	9%	0.087	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	123.7	-173.1	-175.8	-93.8	0	0	0	112.2	F252 L253 P390 W451 V621	F252-W438 PolarHBondContact O-NE1 3.06Å; L253-W438 HydrophobicContact CD1-CD2 3.99Å; L253-W438 HydrophobicContact CD1-CG 4.32Å; L253-W438 HydrophobicContact CD1-CH2 4.47Å; L253-W438 HydrophobicContact CD1-CZ2 3.91Å; P390-W438 HydrophobicContact CB-CB 3.98Å; P390-W438 HydrophobicContact CG-CB 4.17Å; P390-W438 PolarHBondContact O-N 2.99Å; W438-W451 HydrophobicContact CB-CE3 4.07Å; W438-W451 HydrophobicContact CB-CH2 4.24Å; W438-W451 HydrophobicContact CB-CZ3 3.87Å; W438-W451 AromaticContact CE3-CD1 3.89Å; W438-W451 AromaticContact CE3-CD2 3.75Å; W438-W451 HydrophobicContact CE3-CD2 3.75Å; W438-W451 AromaticContact CE3-CE2 3.68Å; W438-W451 HydrophobicContact CE3-CE3 4.32Å; W438-W451 AromaticContact CE3-CG 3.89Å; W438-W451 HydrophobicContact CE3-CG 3.89Å; W438-W451 HydrophobicContact CE3-CZ2 4.19Å; W438-W451 AromaticContact CE3-NE1 3.74Å; W438-W451 AromaticContact CZ3-CD1 3.8Å; W438-W451 HydrophobicContact CZ3-CD2 4.43Å; W438-W451 HydrophobicContact CZ3-CG 4.22Å; W438-W451 AromaticContact CZ3-NE1 3.74Å; W438-V621 HydrophobicContact CH2-CG1 3.68Å; W438-V621 HydrophobicContact CZ2-CG1 3.51Å
439	M	98.4	Very high	92.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	156.2	171.3	64.4	-175.9	75.8	0	0	113.1	T250 V251 P313 V314 V317 G449 G450 Q452	T250-M439 CarbonylContact O-C 3.53Å; T250-M439 VanDerWaalsContact O-CA 3.24Å; T250-M439 WeakPolarHBondContact O-CA 3.33Å; V251-M439 HydrophobicContact CG1-CB 4.48Å; P313-M439 HydrophobicContact CB-CB 4.46Å; P313-M439 HydrophobicContact CB-CE 4.06Å; P313-M439 HydrophobicContact CB-SD 4.24Å; P313-M439 HydrophobicContact CG-CB 4.14Å; P313-M439 HydrophobicContact CG-SD 4.22Å; V314-M439 HydrophobicContact CB-SD 4.34Å; V314-M439 HydrophobicContact CG2-SD 3.58Å; V314-M439 VanDerWaalsContact CG2-SD 3.58Å; V317-M439 HydrophobicContact CB-CE 4.06Å; V317-M439 HydrophobicContact CG1-CE 4.44Å; V317-M439 HydrophobicContact CG2-CE 3.59Å; M439-G449 CarbonylContact O-C 3.53Å; M439-G449 WeakPolarHBondContact O-CA 3.28Å; M439-G450 PolarHBondContact N-O 3.19Å; M439-G450 VanDerWaalsContact N-O 3.1Å; M439-G450 PolarHBondContact O-N 3.39Å; M439-Q452 HydrophobicContact CE-CG 4.46Å; M439-Q452 HydrophobicContact CG-CG 3.63Å; M439-Q452 HydrophobicContact SD-CG 4.18Å
440	A	97.4	Very high	93.7	Very high	7 Å²	7	24.6 Å²	24.6	6%	0.058	15%	0.145	C	C	.	.			trans	-65.2	153.1	159.4	0	0	0	0	0	111.2	T250 P442 V621	T250-A440 HydrophobicContact CG2-CB 4.48Å; T250-A440 PolarHBondContact O-N 2.81Å; A440-P442 WeakPolarHBondContact O-CD 3.31Å; A440-V621 HydrophobicContact CB-CG2 4.18Å
441	R	96.9	Very high	95.1	Very high	6 Å²	6	20.9 Å²	20.9	2%	0.023	12%	0.123	C	C	.	.			trans	-125.8	70.6	179.7	-68	-62.6	-57.7	-87.4	1.1	111.2	D443 L444 N448 Q452 P470 K484	R441-D443 WeakPolarHBondContact CA-OD1 3.32Å; R441-D443 IonicContact CZ-OD1 3.97Å; R441-D443 IonicContact CZ-OD2 2.98Å; R441-D443 IonicContact NE-OD1 2.7Å; R441-D443 PolarHBondContact NE-OD1 2.59Å; R441-D443 IonicContact NE-OD2 2.82Å; R441-D443 IonicContact NH2-OD1 3.18Å; R441-D443 IonicContact NH2-OD2 2.77Å; R441-D443 PolarHBondContact NH2-OD2 2.9Å; R441-D443 PolarHBondContact O-N 3.11Å; R441-D443 VanDerWaalsContact O-N 3.13Å; R441-L444 HydrophobicContact CB-CB 4.09Å; R441-L444 HydrophobicContact CB-CD1 4.03Å; R441-L444 HydrophobicContact CB-CG 4.15Å; R441-L444 HydrophobicContact CG-CD1 4.26Å; R441-L444 PolarHBondContact O-N 2.7Å; R441-N448 WeakPolarHBondContact CG-O 3.26Å; R441-Q452 VanDerWaalsContact CG-OE1 3.27Å; R441-P470 PolarHBondContact NH1-O 2.98Å; R441-K484 PolarHBondContact NH2-O 3.3Å
442	P	94.3	Very high	95.8	Very high	107 Å²	107	19.2 Å²	19.2	70%	0.695	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-9.1	178.6	30.4	-36.5	0	0	0	113.3	A440 L444	A440-P442 WeakPolarHBondContact O-CD 3.31Å; P442-L444 VanDerWaalsContact C-N 3.34Å
443	D	95	Very high	96.1	Very high	53 Å²	53	19.1 Å²	19.1	28%	0.283	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-0.5	173.5	70.8	-58.4	0	0	0	113.9	R441 K484	R441-D443 WeakPolarHBondContact CA-OD1 3.32Å; R441-D443 IonicContact CZ-OD1 3.97Å; R441-D443 IonicContact CZ-OD2 2.98Å; R441-D443 IonicContact NE-OD1 2.7Å; R441-D443 PolarHBondContact NE-OD1 2.59Å; R441-D443 IonicContact NE-OD2 2.82Å; R441-D443 IonicContact NH2-OD1 3.18Å; R441-D443 IonicContact NH2-OD2 2.77Å; R441-D443 PolarHBondContact NH2-OD2 2.9Å; R441-D443 PolarHBondContact O-N 3.11Å; R441-D443 VanDerWaalsContact O-N 3.13Å; D443-K484 IonicContact OD2-NZ 3.74Å; D443-K484 PolarHBondContact OD2-NZ 2.8Å
444	L	95.1	Very high	96.2	Very high	22 Å²	22	19.1 Å²	19.1	12%	0.115	12%	0.115	C	C	.	.	S	Bend	trans	-126.1	168	179	-66.1	-173.4	0	0	0	110.9	R441 P442 N448 L483 K484	R441-L444 HydrophobicContact CB-CB 4.09Å; R441-L444 HydrophobicContact CB-CD1 4.03Å; R441-L444 HydrophobicContact CB-CG 4.15Å; R441-L444 HydrophobicContact CG-CD1 4.26Å; R441-L444 PolarHBondContact O-N 2.7Å; P442-L444 VanDerWaalsContact C-N 3.34Å; L444-N448 HydrophobicContact CB-CB 4.04Å; L444-N448 HydrophobicContact CD1-CB 3.74Å; L444-L483 HydrophobicContact CD2-CB 4.27Å; L444-L483 HydrophobicContact CD2-CD2 4.35Å; L444-K484 HydrophobicContact CD2-CG 3.91Å
445	P	92.1	Very high	96.1	Very high	69 Å²	69	19.2 Å²	19.2	45%	0.448	12%	0.116	S	C	.	.			trans	-57.8	148.3	167.1	-23.2	34.8	0	0	0	112	N448 L483	P445-N448 PolarHBondContact O-ND2 2.75Å; P445-L483 HydrophobicContact CG-CD2 4.33Å
446	P	89.1	Confident	96	Very high	71 Å²	71	19.2 Å²	19.2	46%	0.461	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	149.5	173.9	-26.6	35	0	0	0	113	M616	P446-M616 HydrophobicContact CB-CE 3.87Å; P446-M616 HydrophobicContact CB-SD 3.86Å
447	G	88.3	Confident	95.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.8	0.2	-174.6	0	0	0	0	0	114.8	N474 G620 L622	G447-N474 PolarHBondContact O-ND2 3.33Å; G447-G620 VanDerWaalsContact CA-O 3.24Å; G447-G620 WeakPolarHBondContact CA-O 3.34Å; G447-G620 PolarHBondContact N-O 3.25Å; G447-L622 WeakPolarHBondContact O-CD1 3.4Å
448	N	94.8	Very high	95.1	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	12%	0.124	C	C	.	.			trans	-105.8	0.7	178.7	-64.4	-79.3	0	0	0	114	R441 L444 P445 Q452 S472	R441-N448 WeakPolarHBondContact CG-O 3.26Å; L444-N448 HydrophobicContact CB-CB 4.04Å; L444-N448 HydrophobicContact CD1-CB 3.74Å; P445-N448 PolarHBondContact O-ND2 2.75Å; N448-Q452 PolarHBondContact O-NE2 3.11Å; N448-S472 WeakPolarHBondContact CA-OG 3.31Å; N448-S472 VanDerWaalsContact O-CB 3.28Å; N448-S472 WeakPolarHBondContact O-CB 3.42Å; N448-S472 PolarHBondContact O-OG 2.82Å
449	G	94.8	Very high	94.1	Very high	10 Å²	10	20.4 Å²	20.4	10%	0.103	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-74.5	176.2	167.5	0	0	0	0	0	113.3	M439 G620	M439-G449 CarbonylContact O-C 3.53Å; M439-G449 WeakPolarHBondContact O-CA 3.28Å; G449-G620 PolarHBondContact N-O 3.24Å
450	G	97.1	Very high	93.4	Very high	3 Å²	3	24.3 Å²	24.3	3%	0.031	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	100.9	-141.1	-175.2	0	0	0	0	0	110.5	M439 Q452	M439-G450 PolarHBondContact N-O 3.19Å; M439-G450 VanDerWaalsContact N-O 3.1Å; M439-G450 PolarHBondContact O-N 3.39Å; G450-Q452 PolarHBondContact O-N 3.11Å; G450-Q452 PolarHBondContact O-NE2 3.25Å
451	W	98.4	Very high	92.9	Very high	28 Å²	28	27.1 Å²	27.1	11%	0.106	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	128	176.9	-66.5	115.2	0	0	0	112.3	Y262 R392 D436 W438 V473	Y262-W451 HydrophobicContact CD1-CH2 4.24Å; Y262-W451 AromaticContact CD2-CH2 3.59Å; Y262-W451 HydrophobicContact CD2-CH2 3.59Å; Y262-W451 AromaticContact CD2-CZ2 3.71Å; Y262-W451 HydrophobicContact CD2-CZ2 3.71Å; Y262-W451 HydrophobicContact CE1-CH2 4.41Å; Y262-W451 AromaticContact CE2-CH2 3.81Å; Y262-W451 HydrophobicContact CE2-CH2 3.81Å; Y262-W451 AromaticContact CE2-CZ2 3.47Å; Y262-W451 HydrophobicContact CE2-CZ2 3.47Å; Y262-W451 VanDerWaalsContact CE2-CZ2 3.47Å; Y262-W451 AromaticContact CG-CH2 3.82Å; Y262-W451 HydrophobicContact CG-CH2 3.82Å; Y262-W451 HydrophobicContact CG-CZ2 4.36Å; Y262-W451 AromaticContact CZ-CZ2 3.91Å; R392-W451 HydrophobicContact CG-CH2 4.3Å; R392-W451 HydrophobicContact CG-CZ3 4.21Å; D436-W451 HydrophobicContact CB-CD2 4.23Å; D436-W451 HydrophobicContact CB-CE3 3.65Å; D436-W451 HydrophobicContact CB-CZ3 4.16Å; W438-W451 HydrophobicContact CB-CE3 4.07Å; W438-W451 HydrophobicContact CB-CH2 4.24Å; W438-W451 HydrophobicContact CB-CZ3 3.87Å; W438-W451 AromaticContact CE3-CD1 3.89Å; W438-W451 AromaticContact CE3-CD2 3.75Å; W438-W451 HydrophobicContact CE3-CD2 3.75Å; W438-W451 AromaticContact CE3-CE2 3.68Å; W438-W451 HydrophobicContact CE3-CE3 4.32Å; W438-W451 AromaticContact CE3-CG 3.89Å; W438-W451 HydrophobicContact CE3-CG 3.89Å; W438-W451 HydrophobicContact CE3-CZ2 4.19Å; W438-W451 AromaticContact CE3-NE1 3.74Å; W438-W451 AromaticContact CZ3-CD1 3.8Å; W438-W451 HydrophobicContact CZ3-CD2 4.43Å; W438-W451 HydrophobicContact CZ3-CG 4.22Å; W438-W451 AromaticContact CZ3-NE1 3.74Å; W451-V473 HydrophobicContact CB-CB 4.39Å; W451-V473 HydrophobicContact CB-CG2 4.04Å; W451-V473 WeakPolarHBondContact O-CB 3.3Å; W451-V473 WeakPolarHBondContact O-CG2 3.3Å; W451-V473 PolarHBondContact O-N 2.9Å; W451-V473 VanDerWaalsContact O-N 3.11Å
452	Q	98.7	Very high	92.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	129.9	172.2	-41.4	-65.1	-61.1	0	0	109	D436 C437 M439 R441 N448 G450 P470 A471 S472	D436-Q452 WeakPolarHBondContact CA-O 3.4Å; C437-Q452 PolarHBondContact N-O 3.39Å; C437-Q452 PolarHBondContact O-N 2.59Å; M439-Q452 HydrophobicContact CE-CG 4.46Å; M439-Q452 HydrophobicContact CG-CG 3.63Å; M439-Q452 HydrophobicContact SD-CG 4.18Å; R441-Q452 VanDerWaalsContact CG-OE1 3.27Å; N448-Q452 PolarHBondContact O-NE2 3.11Å; G450-Q452 PolarHBondContact O-N 3.11Å; G450-Q452 PolarHBondContact O-NE2 3.25Å; Q452-P470 HydrophobicContact CB-CB 3.64Å; Q452-P470 HydrophobicContact CG-CB 4.13Å; Q452-A471 CarbonylContact C-O 3.43Å; Q452-A471 WeakPolarHBondContact CA-O 3.28Å; Q452-S472 VanDerWaalsContact OE1-CA 3.32Å
453	A	98.6	Very high	91.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	136.8	173	0	0	0	0	0	110.7	A471 V473 I476 V490 Y540	A453-A471 HydrophobicContact CB-CB 4.44Å; A453-A471 PolarHBondContact N-O 3Å; A453-A471 PolarHBondContact O-N 2.9Å; A453-V473 HydrophobicContact CB-CG2 4.27Å; A453-I476 HydrophobicContact CB-CD1 3.95Å; A453-V490 HydrophobicContact CB-CG1 3.87Å; A453-Y540 HydrophobicContact CB-CE1 4.14Å; A453-Y540 WeakPolarHBondContact CB-OH 3.07Å
454	V	98.1	Very high	91.4	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	117.5	-175.1	-178.9	0	0	0	0	107.9	V317 N435 C437 P470	V317-V454 HydrophobicContact CG1-CB 4.21Å; V317-V454 HydrophobicContact CG1-CG1 3.82Å; V317-V454 HydrophobicContact CG1-CG2 3.3Å; N435-V454 HydrophobicContact CB-CB 4.45Å; N435-V454 WeakPolarHBondContact CB-O 3.25Å; N435-V454 PolarHBondContact N-O 3.19Å; N435-V454 PolarHBondContact O-N 3.31Å; C437-V454 VanDerWaalsContact SG-CG2 3.55Å; V454-P470 HydrophobicContact CG2-CB 4.13Å
455	D	97.5	Very high	91.1	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.011	18%	0.179	C	C	.	.			trans	-107.1	134.5	169.6	-169.9	16.2	0	0	0	110.9	S321 H432 W434 T457 Q459 C468	S321-D455 WeakPolarHBondContact CB-O 3.32Å; H432-D455 IonicContact CE1-OD1 3.96Å; H432-D455 IonicContact CE1-OD2 2.62Å; H432-D455 PolarHBondContact CE1-OD2 2.89Å; H432-D455 IonicContact NE2-OD1 3.61Å; H432-D455 IonicContact NE2-OD2 2.6Å; H432-D455 PolarHBondContact NE2-OD2 3.26Å; W434-D455 HydrophobicContact CB-CB 3.88Å; D455-T457 WeakPolarHBondContact OD1-CB 3.25Å; D455-T457 PolarHBondContact OD1-N 3.37Å; D455-T457 PolarHBondContact OD1-OG1 2.97Å; D455-T457 WeakPolarHBondContact OD2-CB 3.48Å; D455-Q459 PolarHBondContact OD2-NE2 2.87Å; D455-C468 HydrophobicContact CB-CB 3.95Å; D455-C468 PolarHBondContact O-N 3.31Å; D455-C468 VanDerWaalsContact O-N 3.11Å
456	S	96.8	Very high	91	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.168	C	C	.	.			trans	-109.8	0.8	177.2	-43.6	0	0	0	0	111.9	S321 T380	S321-S456 WeakPolarHBondContact CA-OG 3.49Å; T380-S456 VanDerWaalsContact OG1-CB 3.31Å; T380-S456 WeakPolarHBondContact OG1-CB 3.39Å; T380-S456 PolarHBondContact OG1-OG 3.19Å
457	T	92.2	Very high	91.2	Very high	8 Å²	8	27.9 Å²	27.9	5%	0.049	16%	0.155	C	C	.	.	S	Bend	trans	-72.2	131.6	169.4	-46.8	0	0	0	0	108.1	W337 C373 F376 H432 D455 Q459	W337-T457 HydrophobicContact CH2-CG2 4.01Å; W337-T457 HydrophobicContact CZ2-CG2 3.98Å; C373-T457 WeakPolarHBondContact CA-OG1 3.45Å; C373-T457 HydrophobicContact CB-CG2 4.32Å; F376-T457 HydrophobicContact CD2-CG2 4.01Å; F376-T457 HydrophobicContact CE2-CG2 4.17Å; H432-T457 PolarHBondContact CE1-OG1 2.9Å; D455-T457 WeakPolarHBondContact OD1-CB 3.25Å; D455-T457 PolarHBondContact OD1-N 3.37Å; D455-T457 PolarHBondContact OD1-OG1 2.97Å; D455-T457 WeakPolarHBondContact OD2-CB 3.48Å; T457-Q459 VanDerWaalsContact C-N 3.29Å; T457-Q459 HydrophobicContact CG2-CG 4.14Å; T457-Q459 PolarHBondContact O-N 3.1Å
458	P	85.5	Confident	91.5	Very high	18 Å²	18	28.3 Å²	28.3	12%	0.117	16%	0.158	C	C	.	.	S	Bend	trans	-73.5	87.6	176.4	29.2	-32.8	0	0	0	109.7	N325 Q327 F376 F466	N325-P458 HydrophobicContact CB-CB 4.38Å; N325-P458 HydrophobicContact CB-CG 4.2Å; Q327-P458 HydrophobicContact CG-CB 3.57Å; Q327-P458 HydrophobicContact CG-CG 4.08Å; F376-P458 HydrophobicContact CZ-CG 4.43Å; P458-F466 HydrophobicContact CB-CB 4.01Å; P458-F466 HydrophobicContact CB-CD1 3.89Å; P458-F466 HydrophobicContact CB-CG 4.06Å
459	Q	77.3	Confident	91.5	Very high	22 Å²	22	28.3 Å²	28.3	10%	0.103	16%	0.158	C	C	.	.			trans	-95.2	-87.8	173.4	-65.6	-160	105.9	0	0	108.7	H401 H432 D455 T457 F466 F489 E493	H401-Q459 PolarHBondContact CD2-OE1 2.81Å; H432-Q459 PolarHBondContact NE2-NE2 3.46Å; D455-Q459 PolarHBondContact OD2-NE2 2.87Å; T457-Q459 VanDerWaalsContact C-N 3.29Å; T457-Q459 HydrophobicContact CG2-CG 4.14Å; T457-Q459 PolarHBondContact O-N 3.1Å; Q459-F466 WeakPolarHBondContact O-CE1 3.49Å; Q459-F489 HydrophobicContact CB-CE1 4.38Å; Q459-F489 HydrophobicContact CB-CE2 4.47Å; Q459-F489 HydrophobicContact CB-CZ 3.69Å; Q459-F489 HydrophobicContact CG-CZ 4.38Å; Q459-E493 PolarHBondContact NE2-OE1 2.77Å
460	E	83.6	Confident	91.7	Very high	82 Å²	82	27.8 Å²	27.8	38%	0.383	15%	0.153	S	C	.	.	S	Bend	trans	-108.4	167	176.4	-80	-57.2	149.6	0	0	114.4	F489	E460-F489 HydrophobicContact CB-CD2 4.19Å; E460-F489 HydrophobicContact CB-CE2 3.98Å; E460-F489 HydrophobicContact CG-CD2 4.26Å; E460-F489 HydrophobicContact CG-CE2 3.86Å
461	T	86.2	Confident	91.7	Very high	66 Å²	66	27.7 Å²	27.7	41%	0.405	15%	0.151	S	C	.	.	B	Isolated β-bridge	trans	-96.7	112.7	-177.8	68.8	0	0	0	0	113.9	Q463 T465 F466	T461-Q463 PolarHBondContact O-N 3.26Å; T461-T465 CarbonylContact C-O 3.57Å; T461-T465 WeakPolarHBondContact CA-O 3.39Å; T461-F466 HydrophobicContact CG2-CD1 3.81Å; T461-F466 HydrophobicContact CG2-CD2 3.87Å; T461-F466 HydrophobicContact CG2-CE1 3.65Å; T461-F466 HydrophobicContact CG2-CE2 3.72Å; T461-F466 HydrophobicContact CG2-CG 3.93Å; T461-F466 HydrophobicContact CG2-CZ 3.61Å
462	S	87	Confident	91.7	Very high	11 Å²	11	26.3 Å²	26.3	8%	0.077	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	104.7	172.6	-176.3	0	0	0	0	111.4	R318 G464 T465 R467 D486	R318-S462 PolarHBondContact NH2-OG 2.75Å; S462-G464 VanDerWaalsContact C-N 3.32Å; S462-T465 PolarHBondContact N-O 2.81Å; S462-R467 WeakPolarHBondContact CB-O 3.3Å; S462-R467 PolarHBondContact O-NE 2.94Å; S462-R467 VanDerWaalsContact O-NE 3.09Å; S462-R467 PolarHBondContact O-NH2 3.08Å; S462-D486 VanDerWaalsContact CB-OD1 3.3Å; S462-D486 WeakPolarHBondContact CB-OD1 3.21Å; S462-D486 WeakPolarHBondContact CB-OD2 3.28Å; S462-D486 PolarHBondContact OG-OD1 3.35Å; S462-D486 PolarHBondContact OG-OD2 3Å; S462-D486 VanDerWaalsContact OG-OD2 3.12Å
463	Q	83.5	Confident	91.7	Very high	156 Å²	156	26.7 Å²	26.7	73%	0.729	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.2	33.5	-176.7	-53.7	170.9	-35.8	0	0	113.2	T461	T461-Q463 PolarHBondContact O-N 3.26Å
464	G	85	Confident	91.5	Very high	57 Å²	57	28 Å²	28	59%	0.588	16%	0.156	S	C	*	.	S	Bend	trans	81.6	25.4	178.6	0	0	0	0	0	115.1	S462	S462-G464 VanDerWaalsContact C-N 3.32Å
465	T	87.9	Confident	91.4	Very high	23 Å²	23	28 Å²	28	14%	0.141	16%	0.155	C	C	.	.	S	Bend	trans	-138.6	137.9	171.4	-47.5	0	0	0	0	108.4	A322 D328 T461 S462 R467	A322-T465 HydrophobicContact CB-CG2 4.17Å; D328-T465 HydrophobicContact CB-CG2 4.31Å; D328-T465 VanDerWaalsContact OD2-CA 3.31Å; D328-T465 WeakPolarHBondContact OD2-CA 3.43Å; T461-T465 CarbonylContact C-O 3.57Å; T461-T465 WeakPolarHBondContact CA-O 3.39Å; S462-T465 PolarHBondContact N-O 2.81Å; T465-R467 PolarHBondContact O-N 2.88Å; T465-R467 PolarHBondContact OG1-NH2 3.23Å
466	F	90.1	Very high	91.3	Very high	51 Å²	51	27.9 Å²	27.9	22%	0.224	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-69.6	99.8	174	-74.4	-80.8	0	0	0	110.9	N325 Q327 D328 P458 Q459 T461	N325-F466 PolarHBondContact ND2-O 2.85Å; Q327-F466 HydrophobicContact CB-CB 4.28Å; Q327-F466 HydrophobicContact CB-CD2 3.46Å; Q327-F466 VanDerWaalsContact CB-CD2 3.46Å; Q327-F466 HydrophobicContact CB-CE2 4.04Å; Q327-F466 HydrophobicContact CB-CG 4.06Å; Q327-F466 HydrophobicContact CG-CB 4.36Å; Q327-F466 HydrophobicContact CG-CD2 3.82Å; Q327-F466 HydrophobicContact CG-CE2 4.27Å; Q327-F466 HydrophobicContact CG-CG 4.05Å; D328-F466 WeakPolarHBondContact OD2-CD2 3.33Å; D328-F466 PolarHBondContact OD2-N 2.89Å; P458-F466 HydrophobicContact CB-CB 4.01Å; P458-F466 HydrophobicContact CB-CD1 3.89Å; P458-F466 HydrophobicContact CB-CG 4.06Å; Q459-F466 WeakPolarHBondContact O-CE1 3.49Å; T461-F466 HydrophobicContact CG2-CD1 3.81Å; T461-F466 HydrophobicContact CG2-CD2 3.87Å; T461-F466 HydrophobicContact CG2-CE1 3.65Å; T461-F466 HydrophobicContact CG2-CE2 3.72Å; T461-F466 HydrophobicContact CG2-CG 3.93Å; T461-F466 HydrophobicContact CG2-CZ 3.61Å
467	R	93	Very high	91.2	Very high	47 Å²	47	29.7 Å²	29.7	18%	0.177	16%	0.161	C	C	.	.			trans	-167.4	150.7	178.8	65.9	-169.5	165.1	-151.9	-17.7	109.5	A322 S462 T465	A322-R467 HydrophobicContact CB-CB 4.02Å; S462-R467 WeakPolarHBondContact CB-O 3.3Å; S462-R467 PolarHBondContact O-NE 2.94Å; S462-R467 VanDerWaalsContact O-NE 3.09Å; S462-R467 PolarHBondContact O-NH2 3.08Å; T465-R467 PolarHBondContact O-N 2.88Å; T465-R467 PolarHBondContact OG1-NH2 3.23Å
468	C	95.5	Very high	91.2	Very high	9 Å²	9	30.2 Å²	30.2	6%	0.061	17%	0.165	C	C	.	.			trans	-128.4	144.3	170.5	-171.6	0	0	0	0	111.7	S321 D455 V490	S321-C468 PolarHBondContact OG-O 3.48Å; D455-C468 HydrophobicContact CB-CB 3.95Å; D455-C468 PolarHBondContact O-N 3.31Å; D455-C468 VanDerWaalsContact O-N 3.11Å; C468-V490 WeakPolarHBondContact SG-CG2 3.32Å
469	G	95.4	Very high	91.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.16	C	C	.	.			trans	84.3	-172.1	168.6	0	0	0	0	0	115.5	R318 D486	R318-G469 WeakPolarHBondContact CG-O 3.45Å; R318-G469 PolarHBondContact NH1-O 2.8Å; G469-D486 PolarHBondContact N-OD2 3.26Å
470	P	97.8	Very high	92.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.159	C	C	.	.	P	Polyproline II helix	cis	-71.3	123.1	-1.5	26.8	-33.1	0	0	0	113.8	V314 V317 R441 Q452 V454 H485	V314-P470 HydrophobicContact CB-CG 4.49Å; V314-P470 HydrophobicContact CG1-CG 3.83Å; V317-P470 HydrophobicContact CG1-CB 4.26Å; V317-P470 HydrophobicContact CG1-CG 4.43Å; R441-P470 PolarHBondContact NH1-O 2.98Å; Q452-P470 HydrophobicContact CB-CB 3.64Å; Q452-P470 HydrophobicContact CG-CB 4.13Å; V454-P470 HydrophobicContact CG2-CB 4.13Å; P470-H485 CarbonylContact C-O 3.59Å; P470-H485 PolarHBondContact O-N 3.46Å
471	A	98	Very high	92.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	130.9	171.7	0	0	0	0	0	109.5	Q452 A453 V473 I476 H485 V490	Q452-A471 CarbonylContact C-O 3.43Å; Q452-A471 WeakPolarHBondContact CA-O 3.28Å; A453-A471 HydrophobicContact CB-CB 4.44Å; A453-A471 PolarHBondContact N-O 3Å; A453-A471 PolarHBondContact O-N 2.9Å; A471-V473 PolarHBondContact O-N 3.37Å; A471-I476 HydrophobicContact CB-CD1 3.96Å; A471-I476 HydrophobicContact CB-CG1 4.42Å; A471-H485 VanDerWaalsContact CA-O 3.25Å; A471-H485 WeakPolarHBondContact CA-O 3.46Å; A471-H485 VanDerWaalsContact CB-O 3.24Å; A471-H485 WeakPolarHBondContact CB-O 3.43Å; A471-H485 PolarHBondContact N-O 3.04Å; A471-V490 HydrophobicContact CB-CB 4.46Å; A471-V490 HydrophobicContact CB-CG2 4.07Å
472	S	98.3	Very high	92.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	125.1	179.3	176.8	0	0	0	0	110.8	N448 Q452 N474 A475 I476	N448-S472 WeakPolarHBondContact CA-OG 3.31Å; N448-S472 VanDerWaalsContact O-CB 3.28Å; N448-S472 WeakPolarHBondContact O-CB 3.42Å; N448-S472 PolarHBondContact O-OG 2.82Å; Q452-S472 VanDerWaalsContact OE1-CA 3.32Å; S472-N474 PolarHBondContact O-N 3.39Å; S472-N474 PolarHBondContact OG-N 2.84Å; S472-A475 WeakPolarHBondContact O-CA 3.33Å; S472-A475 WeakPolarHBondContact O-CB 3.35Å; S472-A475 PolarHBondContact O-N 3.01Å; S472-I476 WeakPolarHBondContact O-CG1 3.38Å; S472-I476 PolarHBondContact O-N 2.75Å
473	V	98	Very high	93.1	Very high	7 Å²	7	28.3 Å²	28.3	4%	0.042	15%	0.146	C	C	.	.	H	α-helix	trans	-61.4	-30.9	179.1	177.1	0	0	0	0	111.2	W451 A453 A471 R477 L539 Y540	W451-V473 HydrophobicContact CB-CB 4.39Å; W451-V473 HydrophobicContact CB-CG2 4.04Å; W451-V473 WeakPolarHBondContact O-CB 3.3Å; W451-V473 WeakPolarHBondContact O-CG2 3.3Å; W451-V473 PolarHBondContact O-N 2.9Å; W451-V473 VanDerWaalsContact O-N 3.11Å; A453-V473 HydrophobicContact CB-CG2 4.27Å; A471-V473 PolarHBondContact O-N 3.37Å; V473-R477 VanDerWaalsContact O-CB 3.31Å; V473-R477 WeakPolarHBondContact O-CB 3.44Å; V473-R477 PolarHBondContact O-N 2.62Å; V473-L539 HydrophobicContact CG1-CB 4.09Å; V473-Y540 HydrophobicContact CG1-CD1 4.39Å; V473-Y540 HydrophobicContact CG1-CD2 3.78Å; V473-Y540 HydrophobicContact CG1-CE1 4.45Å; V473-Y540 HydrophobicContact CG1-CE2 3.81Å; V473-Y540 HydrophobicContact CG1-CG 4.07Å; V473-Y540 HydrophobicContact CG2-CE1 4.18Å; V473-Y540 HydrophobicContact CG2-CE2 3.99Å
474	N	95	Very high	93.5	Very high	29 Å²	29	25.3 Å²	25.3	16%	0.155	13%	0.13	C	C	.	.	H	α-helix	trans	-71.8	-32.9	173.5	-169.1	51.8	0	0	0	113.1	G447 S472 S478	G447-N474 PolarHBondContact O-ND2 3.33Å; S472-N474 PolarHBondContact O-N 3.39Å; S472-N474 PolarHBondContact OG-N 2.84Å; N474-S478 WeakPolarHBondContact O-CB 3.42Å; N474-S478 PolarHBondContact O-N 3.44Å; N474-S478 VanDerWaalsContact O-N 3.1Å; N474-S478 PolarHBondContact O-OG 2.95Å
475	A	95.6	Very high	93.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-69.8	-43.1	173.7	0	0	0	0	0	111.6	S472 S478 G479 H480 L483 T487	S472-A475 WeakPolarHBondContact O-CA 3.33Å; S472-A475 WeakPolarHBondContact O-CB 3.35Å; S472-A475 PolarHBondContact O-N 3.01Å; A475-S478 PolarHBondContact O-N 3.2Å; A475-G479 PolarHBondContact O-N 2.84Å; A475-G479 VanDerWaalsContact O-N 3.15Å; A475-H480 HydrophobicContact CB-CB 4.24Å; A475-H480 PolarHBondContact O-N 3.09Å; A475-L483 HydrophobicContact CB-CB 4.4Å; A475-L483 HydrophobicContact CB-CD1 3.93Å; A475-T487 HydrophobicContact CB-CG2 4.06Å
476	I	96.5	Very high	94.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-53.6	-59	171.1	-64.7	168.5	0	0	0	108.8	A453 A471 S472 S478 G479 T487 V490 F491 V494 Y540	A453-I476 HydrophobicContact CB-CD1 3.95Å; A471-I476 HydrophobicContact CB-CD1 3.96Å; A471-I476 HydrophobicContact CB-CG1 4.42Å; S472-I476 WeakPolarHBondContact O-CG1 3.38Å; S472-I476 PolarHBondContact O-N 2.75Å; I476-S478 PolarHBondContact O-N 2.83Å; I476-S478 VanDerWaalsContact O-N 3.07Å; I476-G479 PolarHBondContact O-N 3.39Å; I476-T487 HydrophobicContact CG1-CG2 3.82Å; I476-V490 HydrophobicContact CD1-CB 3.8Å; I476-V490 HydrophobicContact CD1-CG1 3.53Å; I476-V490 HydrophobicContact CG1-CB 4.47Å; I476-F491 HydrophobicContact CG2-CD2 4.16Å; I476-F491 WeakPolarHBondContact O-CD2 3.43Å; I476-F491 WeakPolarHBondContact O-CE2 3.24Å; I476-V494 HydrophobicContact CG2-CG2 3.8Å; I476-Y540 HydrophobicContact CD1-CE1 4.24Å; I476-Y540 HydrophobicContact CG2-CD1 4.3Å
477	R	94.8	Very high	94.4	Very high	37 Å²	37	22 Å²	22	14%	0.14	10%	0.1	C	C	.	.	H	α-helix	trans	-51.5	-38	179.9	-167.5	-151.7	-179.3	106.1	30	114.3	V473 H538 L539 Y540 K541 H542	V473-R477 VanDerWaalsContact O-CB 3.31Å; V473-R477 WeakPolarHBondContact O-CB 3.44Å; V473-R477 PolarHBondContact O-N 2.62Å; R477-H538 PolarHBondContact NH1-O 2.83Å; R477-H538 PolarHBondContact NH2-O 3.35Å; R477-L539 WeakPolarHBondContact CB-O 3.42Å; R477-L539 WeakPolarHBondContact CG-O 3.24Å; R477-Y540 VanDerWaalsContact CA-O 3.23Å; R477-Y540 WeakPolarHBondContact CA-O 3.47Å; R477-Y540 PolarHBondContact N-O 3.47Å; R477-K541 PolarHBondContact NH2-O 3.34Å; R477-H542 PolarHBondContact NE-NE2 2.8Å; R477-H542 PolarHBondContact O-CD2 3.43Å
478	S	91.3	Very high	94.4	Very high	19 Å²	19	21.4 Å²	21.4	13%	0.133	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-5	-177	-51.4	0	0	0	0	113.9	N474 A475 I476 H480	N474-S478 WeakPolarHBondContact O-CB 3.42Å; N474-S478 PolarHBondContact O-N 3.44Å; N474-S478 VanDerWaalsContact O-N 3.1Å; N474-S478 PolarHBondContact O-OG 2.95Å; A475-S478 PolarHBondContact O-N 3.2Å; I476-S478 PolarHBondContact O-N 2.83Å; I476-S478 VanDerWaalsContact O-N 3.07Å; S478-H480 VanDerWaalsContact C-N 3.25Å; S478-H480 PolarHBondContact O-N 2.71Å
479	G	90.6	Very high	94.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	15.8	-172.3	0	0	0	0	0	114.4	A475 I476 V481 A552 A556	A475-G479 PolarHBondContact O-N 2.84Å; A475-G479 VanDerWaalsContact O-N 3.15Å; I476-G479 PolarHBondContact O-N 3.39Å; G479-V481 PolarHBondContact O-N 2.92Å; G479-A552 WeakPolarHBondContact CA-O 3.25Å; G479-A556 WeakPolarHBondContact O-CA 3.24Å; G479-A556 PolarHBondContact O-N 2.84Å
480	H	91.9	Very high	94.2	Very high	17 Å²	17	22.2 Å²	22.2	8%	0.079	10%	0.104	C	C	.	.			trans	-80.2	51.3	-178.6	-62.8	165.9	0	0	0	111.9	A475 S478 Y482 L483	A475-H480 HydrophobicContact CB-CB 4.24Å; A475-H480 PolarHBondContact O-N 3.09Å; S478-H480 VanDerWaalsContact C-N 3.25Å; S478-H480 PolarHBondContact O-N 2.71Å; H480-Y482 HydrophobicContact CB-CE1 4Å; H480-Y482 PolarHBondContact O-N 2.98Å; H480-Y482 VanDerWaalsContact O-N 3.12Å; H480-L483 HydrophobicContact CB-CD1 3.94Å; H480-L483 HydrophobicContact CB-CG 4.28Å; H480-L483 WeakPolarHBondContact O-CB 3.32Å; H480-L483 PolarHBondContact O-N 3.09Å
481	V	92.1	Very high	94	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.018	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-18.6	-169.7	-60.2	0	0	0	0	114.4	L407 G479 L483 P488 F491 A556 Y559	L407-V481 HydrophobicContact CD1-CG1 4.44Å; L407-V481 HydrophobicContact CD1-CG2 3.95Å; G479-V481 PolarHBondContact O-N 2.92Å; V481-L483 PolarHBondContact O-N 3.49Å; V481-P488 HydrophobicContact CB-CB 4.19Å; V481-P488 HydrophobicContact CB-CG 4.02Å; V481-P488 VanDerWaalsContact O-CD 3.26Å; V481-P488 WeakPolarHBondContact O-CD 3.15Å; V481-P488 VanDerWaalsContact O-CG 3.32Å; V481-P488 WeakPolarHBondContact O-CG 3.4Å; V481-F491 HydrophobicContact CG1-CB 3.65Å; V481-F491 HydrophobicContact CG1-CD1 4.24Å; V481-F491 HydrophobicContact CG1-CD2 4.06Å; V481-F491 HydrophobicContact CG1-CG 3.7Å; V481-A556 HydrophobicContact CG1-CB 3.69Å; V481-A556 HydrophobicContact CG2-CB 4.26Å; V481-A556 WeakPolarHBondContact CG2-O 3.09Å; V481-Y559 HydrophobicContact CG2-CD2 4.36Å; V481-Y559 HydrophobicContact CG2-CG 4.47Å
482	Y	90.3	Very high	93.7	Very high	120 Å²	120	22.2 Å²	22.2	47%	0.471	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-10.8	172.8	59.8	-94.1	0	0	0	113.8	H480 Y559	H480-Y482 HydrophobicContact CB-CE1 4Å; H480-Y482 PolarHBondContact O-N 2.98Å; H480-Y482 VanDerWaalsContact O-N 3.12Å; Y482-Y559 HydrophobicContact CD1-CD1 4.37Å; Y482-Y559 AromaticContact CD1-CD2 3.8Å; Y482-Y559 HydrophobicContact CD1-CD2 3.8Å; Y482-Y559 HydrophobicContact CD1-CE1 4.08Å; Y482-Y559 AromaticContact CD1-CE2 3.49Å; Y482-Y559 HydrophobicContact CD1-CE2 3.49Å; Y482-Y559 VanDerWaalsContact CD1-CE2 3.49Å; Y482-Y559 HydrophobicContact CD1-CG 4.24Å; Y482-Y559 AromaticContact CD1-CZ 3.64Å; Y482-Y559 AromaticContact CE1-CE2 3.91Å; Y482-Y559 HydrophobicContact CE1-CE2 3.91Å; Y482-Y559 HydrophobicContact CG-CE1 4.44Å
483	L	93.6	Very high	93.3	Very high	19 Å²	19	22.2 Å²	22.2	10%	0.099	10%	0.104	C	C	.	.	S	Bend	trans	-80.8	140.8	174.8	-62.9	-179.9	0	0	0	111.5	L444 P445 A475 H480 V481 T487	L444-L483 HydrophobicContact CD2-CB 4.27Å; L444-L483 HydrophobicContact CD2-CD2 4.35Å; P445-L483 HydrophobicContact CG-CD2 4.33Å; A475-L483 HydrophobicContact CB-CB 4.4Å; A475-L483 HydrophobicContact CB-CD1 3.93Å; H480-L483 HydrophobicContact CB-CD1 3.94Å; H480-L483 HydrophobicContact CB-CG 4.28Å; H480-L483 WeakPolarHBondContact O-CB 3.32Å; H480-L483 PolarHBondContact O-N 3.09Å; V481-L483 PolarHBondContact O-N 3.49Å; L483-T487 VanDerWaalsContact O-CB 3.31Å; L483-T487 WeakPolarHBondContact O-CB 3.39Å; L483-T487 PolarHBondContact O-OG1 2.89Å
484	K	92.9	Very high	93.1	Very high	93 Å²	93	21.9 Å²	21.9	40%	0.404	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	149	-179.7	67	-170.6	-173	71.2	0	112.6	R441 D443 L444	R441-K484 PolarHBondContact NH2-O 3.3Å; D443-K484 IonicContact OD2-NZ 3.74Å; D443-K484 PolarHBondContact OD2-NZ 2.8Å; L444-K484 HydrophobicContact CD2-CG 3.91Å
485	H	93.6	Very high	92.9	Very high	28 Å²	28	20.8 Å²	20.8	13%	0.13	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	cis	-111.9	139.4	4.2	-70.3	-96.3	0	0	0	110.5	P470 A471 T487	P470-H485 CarbonylContact C-O 3.59Å; P470-H485 PolarHBondContact O-N 3.46Å; A471-H485 VanDerWaalsContact CA-O 3.25Å; A471-H485 WeakPolarHBondContact CA-O 3.46Å; A471-H485 VanDerWaalsContact CB-O 3.24Å; A471-H485 WeakPolarHBondContact CB-O 3.43Å; A471-H485 PolarHBondContact N-O 3.04Å; H485-T487 PolarHBondContact O-N 2.84Å
486	D	94.4	Very high	92.3	Very high	35 Å²	35	20.9 Å²	20.9	19%	0.187	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	12.8	167.2	-43.5	-39.9	0	0	0	116.3	R318 S462 G469 P488 F489 V490	R318-D486 IonicContact CZ-OD2 3.87Å; R318-D486 IonicContact NH1-OD2 2.95Å; R318-D486 PolarHBondContact NH1-OD2 3.13Å; S462-D486 VanDerWaalsContact CB-OD1 3.3Å; S462-D486 WeakPolarHBondContact CB-OD1 3.21Å; S462-D486 WeakPolarHBondContact CB-OD2 3.28Å; S462-D486 PolarHBondContact OG-OD1 3.35Å; S462-D486 PolarHBondContact OG-OD2 3Å; S462-D486 VanDerWaalsContact OG-OD2 3.12Å; G469-D486 PolarHBondContact N-OD2 3.26Å; D486-P488 VanDerWaalsContact C-N 3.31Å; D486-P488 WeakPolarHBondContact O-CD 3.4Å; D486-F489 WeakPolarHBondContact O-CB 3.48Å; D486-F489 PolarHBondContact O-N 3Å; D486-V490 PolarHBondContact O-N 3.04Å
487	T	94.7	Very high	91.6	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-48.1	-35.6	174.1	-42.9	0	0	0	0	115.2	A475 I476 L483 H485 F491	A475-T487 HydrophobicContact CB-CG2 4.06Å; I476-T487 HydrophobicContact CG1-CG2 3.82Å; L483-T487 VanDerWaalsContact O-CB 3.31Å; L483-T487 WeakPolarHBondContact O-CB 3.39Å; L483-T487 PolarHBondContact O-OG1 2.89Å; H485-T487 PolarHBondContact O-N 2.84Å; T487-F491 WeakPolarHBondContact O-CB 3.42Å; T487-F491 PolarHBondContact O-N 2.9Å
488	P	92.3	Very high	90.6	Very high	33 Å²	33	21.5 Å²	21.5	21%	0.214	10%	0.101	C	C	.	.	H	α-helix	trans	-60	-46.5	174.8	-20.3	31.4	0	0	0	112.4	V405 L407 V481 D486 F491 A492	V405-P488 HydrophobicContact CG1-CB 3.73Å; L407-P488 HydrophobicContact CD2-CB 3.9Å; L407-P488 WeakPolarHBondContact CD2-O 3.39Å; V481-P488 HydrophobicContact CB-CB 4.19Å; V481-P488 HydrophobicContact CB-CG 4.02Å; V481-P488 VanDerWaalsContact O-CD 3.26Å; V481-P488 WeakPolarHBondContact O-CD 3.15Å; V481-P488 VanDerWaalsContact O-CG 3.32Å; V481-P488 WeakPolarHBondContact O-CG 3.4Å; D486-P488 VanDerWaalsContact C-N 3.31Å; D486-P488 WeakPolarHBondContact O-CD 3.4Å; P488-F491 WeakPolarHBondContact O-CB 3.46Å; P488-F491 PolarHBondContact O-N 3.35Å; P488-A492 PolarHBondContact O-N 3Å; P488-A492 VanDerWaalsContact O-N 3.1Å
489	F	91.1	Very high	90.1	Very high	24 Å²	24	20.6 Å²	20.6	11%	0.105	10%	0.095	C	C	.	.	H	α-helix	trans	-62.9	-53.4	-178.4	179.2	-92.8	0	0	0	111	H401 Q459 E460 D486 F491 A492 E493	H401-F489 AromaticContact CD2-CZ 3.83Å; Q459-F489 HydrophobicContact CB-CE1 4.38Å; Q459-F489 HydrophobicContact CB-CE2 4.47Å; Q459-F489 HydrophobicContact CB-CZ 3.69Å; Q459-F489 HydrophobicContact CG-CZ 4.38Å; E460-F489 HydrophobicContact CB-CD2 4.19Å; E460-F489 HydrophobicContact CB-CE2 3.98Å; E460-F489 HydrophobicContact CG-CD2 4.26Å; E460-F489 HydrophobicContact CG-CE2 3.86Å; D486-F489 WeakPolarHBondContact O-CB 3.48Å; D486-F489 PolarHBondContact O-N 3Å; F489-F491 PolarHBondContact O-N 3.12Å; F489-A492 WeakPolarHBondContact O-CB 3.34Å; F489-A492 PolarHBondContact O-N 2.86Å; F489-E493 HydrophobicContact CD1-CG 4.25Å; F489-E493 HydrophobicContact CE1-CG 3.93Å; F489-E493 HydrophobicContact CZ-CG 4.37Å; F489-E493 PolarHBondContact O-N 2.76Å; F489-E493 VanDerWaalsContact O-N 3.11Å
490	V	94.7	Very high	89.2	Confident	2 Å²	2	22.3 Å²	22.3	1%	0.012	10%	0.101	C	C	.	.	H	α-helix	trans	-65.9	-25.4	-179.8	-164.7	0	0	0	0	112.2	A453 C468 A471 I476 D486 E493 V494 Y540	A453-V490 HydrophobicContact CB-CG1 3.87Å; C468-V490 WeakPolarHBondContact SG-CG2 3.32Å; A471-V490 HydrophobicContact CB-CB 4.46Å; A471-V490 HydrophobicContact CB-CG2 4.07Å; I476-V490 HydrophobicContact CD1-CB 3.8Å; I476-V490 HydrophobicContact CD1-CG1 3.53Å; I476-V490 HydrophobicContact CG1-CB 4.47Å; D486-V490 PolarHBondContact O-N 3.04Å; V490-E493 WeakPolarHBondContact CA-OE2 3.37Å; V490-V494 WeakPolarHBondContact O-CG2 3.29Å; V490-Y540 HydrophobicContact CG1-CE1 4.5Å
491	F	94.9	Very high	88.6	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-66.3	-44.8	171.1	-174.7	-88.6	0	0	0	112.2	I476 V481 T487 P488 F489 V494 N495 V553 A556	I476-F491 HydrophobicContact CG2-CD2 4.16Å; I476-F491 WeakPolarHBondContact O-CD2 3.43Å; I476-F491 WeakPolarHBondContact O-CE2 3.24Å; V481-F491 HydrophobicContact CG1-CB 3.65Å; V481-F491 HydrophobicContact CG1-CD1 4.24Å; V481-F491 HydrophobicContact CG1-CD2 4.06Å; V481-F491 HydrophobicContact CG1-CG 3.7Å; T487-F491 WeakPolarHBondContact O-CB 3.42Å; T487-F491 PolarHBondContact O-N 2.9Å; P488-F491 WeakPolarHBondContact O-CB 3.46Å; P488-F491 PolarHBondContact O-N 3.35Å; F489-F491 PolarHBondContact O-N 3.12Å; F491-V494 PolarHBondContact O-N 2.81Å; F491-N495 HydrophobicContact CD1-CB 4.45Å; F491-N495 HydrophobicContact CE1-CB 4.01Å; F491-N495 HydrophobicContact CE2-CB 4.23Å; F491-N495 HydrophobicContact CZ-CB 3.9Å; F491-N495 PolarHBondContact O-N 3.11Å; F491-V553 HydrophobicContact CE1-CB 4.33Å; F491-V553 HydrophobicContact CE1-CG1 4.39Å; F491-V553 HydrophobicContact CE1-CG2 3.99Å; F491-V553 HydrophobicContact CZ-CB 4.16Å; F491-V553 HydrophobicContact CZ-CG2 3.66Å; F491-A556 HydrophobicContact CD1-CB 3.65Å; F491-A556 HydrophobicContact CD2-CB 4.38Å; F491-A556 HydrophobicContact CE1-CB 3.3Å; F491-A556 HydrophobicContact CE2-CB 4.08Å; F491-A556 HydrophobicContact CG-CB 4.18Å; F491-A556 HydrophobicContact CZ-CB 3.54Å
492	A	90.8	Very high	87.9	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60.3	-46.1	175.6	0	0	0	0	0	110.9	A400 D402 L407 P488 F489 V494 N495 S496	A400-A492 VanDerWaalsContact CB-O 3.28Å; A400-A492 WeakPolarHBondContact CB-O 3.37Å; D402-A492 HydrophobicContact CB-CB 3.54Å; L407-A492 HydrophobicContact CD2-CB 4.26Å; P488-A492 PolarHBondContact O-N 3Å; P488-A492 VanDerWaalsContact O-N 3.1Å; F489-A492 WeakPolarHBondContact O-CB 3.34Å; F489-A492 PolarHBondContact O-N 2.86Å; A492-V494 PolarHBondContact O-N 2.85Å; A492-N495 PolarHBondContact O-N 3.48Å; A492-S496 PolarHBondContact O-N 3.38Å; A492-S496 PolarHBondContact O-OG 3.15Å; A492-S496 VanDerWaalsContact O-OG 3.14Å
493	E	91.4	Very high	87.5	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-49.1	-34	179	-65.8	-172.2	109.3	0	0	113.6	N396 A400 H432 W434 Q459 F489 V490	N396-E493 PolarHBondContact ND2-O 2.81Å; A400-E493 PolarHBondContact N-O 2.83Å; A400-E493 VanDerWaalsContact N-O 3.13Å; H432-E493 IonicContact CD2-OE1 3.94Å; H432-E493 PolarHBondContact CD2-OE1 2.83Å; H432-E493 IonicContact NE2-OE1 3.89Å; W434-E493 HydrophobicContact CH2-CB 4.45Å; W434-E493 HydrophobicContact CZ3-CB 4.31Å; Q459-E493 PolarHBondContact NE2-OE1 2.77Å; F489-E493 HydrophobicContact CD1-CG 4.25Å; F489-E493 HydrophobicContact CE1-CG 3.93Å; F489-E493 HydrophobicContact CZ-CG 4.37Å; F489-E493 PolarHBondContact O-N 2.76Å; F489-E493 VanDerWaalsContact O-N 3.11Å; V490-E493 WeakPolarHBondContact CA-OE2 3.37Å
494	V	93.3	Very high	86.9	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-110.9	-12.2	-176.6	-57.8	0	0	0	0	115.7	W434 I476 V490 F491 A492 G520 I523 Y540 K541	W434-V494 HydrophobicContact CH2-CG1 3.56Å; W434-V494 HydrophobicContact CZ2-CG1 3.96Å; I476-V494 HydrophobicContact CG2-CG2 3.8Å; V490-V494 WeakPolarHBondContact O-CG2 3.29Å; F491-V494 PolarHBondContact O-N 2.81Å; A492-V494 PolarHBondContact O-N 2.85Å; V494-G520 WeakPolarHBondContact O-CA 3.4Å; V494-I523 HydrophobicContact CB-CD1 4.02Å; V494-I523 HydrophobicContact CG1-CD1 3.66Å; V494-Y540 HydrophobicContact CG1-CD1 3.91Å; V494-Y540 HydrophobicContact CG2-CD1 4.31Å; V494-K541 WeakPolarHBondContact O-CE 3.43Å; V494-K541 PolarHBondContact O-NZ 2.7Å
495	N	90	Very high	86.5	Confident	6 Å²	6	29 Å²	29	3%	0.032	14%	0.14	C	C	.	.	H	α-helix	trans	-153.9	17.5	-167.1	-135.6	24.9	0	0	0	116.8	F491 A492 K541 V553	F491-N495 HydrophobicContact CD1-CB 4.45Å; F491-N495 HydrophobicContact CE1-CB 4.01Å; F491-N495 HydrophobicContact CE2-CB 4.23Å; F491-N495 HydrophobicContact CZ-CB 3.9Å; F491-N495 PolarHBondContact O-N 3.11Å; A492-N495 PolarHBondContact O-N 3.48Å; N495-K541 WeakPolarHBondContact OD1-CD 3.44Å; N495-V553 HydrophobicContact CB-CG2 4.22Å; N495-V553 WeakPolarHBondContact ND2-CG2 3.05Å; N495-V553 WeakPolarHBondContact O-CG2 3.29Å
496	S	82.8	Confident	86.3	Confident	2 Å²	2	33.3 Å²	33.3	1%	0.014	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-70.3	127.7	171.3	56.6	0	0	0	0	112.3	A400 T409 A492 K498 V519	A400-S496 VanDerWaalsContact CB-OG 3.31Å; A400-S496 WeakPolarHBondContact CB-OG 3.45Å; T409-S496 PolarHBondContact OG1-OG 3.35Å; A492-S496 PolarHBondContact O-N 3.38Å; A492-S496 PolarHBondContact O-OG 3.15Å; A492-S496 VanDerWaalsContact O-OG 3.14Å; S496-K498 PolarHBondContact O-N 3.49Å; S496-V519 WeakPolarHBondContact O-CG2 3.39Å
497	D	82.4	Confident	85.8	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	135.9	161.9	-73	21.4	0	0	0	107.9	T408 T409 I499 S514 K516 R550 Y566	T408-D497 WeakPolarHBondContact CA-O 3.21Å; T409-D497 PolarHBondContact N-O 3.45Å; D497-I499 HydrophobicContact CB-CD1 3.69Å; D497-I499 HydrophobicContact CB-CG1 4.5Å; D497-S514 PolarHBondContact OD2-OG 3.47Å; D497-K516 VanDerWaalsContact OD2-CG 3.31Å; D497-K516 WeakPolarHBondContact OD2-CG 3.32Å; D497-K516 IonicContact OD2-NZ 3.08Å; D497-K516 PolarHBondContact OD2-NZ 3.19Å; D497-R550 IonicContact OD1-NH1 2.65Å; D497-R550 PolarHBondContact OD1-NH1 3.48Å; D497-R550 IonicContact OD2-NH1 2.81Å; D497-Y566 WeakPolarHBondContact CB-OH 3.36Å; D497-Y566 WeakPolarHBondContact OD2-CE1 3.4Å; D497-Y566 PolarHBondContact OD2-OH 2.97Å
498	K	74.2	Confident	85.5	Confident	48 Å²	48	37.3 Å²	37.3	21%	0.209	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	119.4	172.1	-174.3	-179	179.7	-163.2	0	109.7	T409 V411 S496 Y500 S514 E515 A518	T409-K498 HydrophobicContact CG2-CG 4.18Å; T409-K498 CarbonylContact O-C 3.59Å; T409-K498 WeakPolarHBondContact O-CA 3.48Å; T409-K498 WeakPolarHBondContact O-CG 3.44Å; V411-K498 HydrophobicContact CG2-CG 4.43Å; S496-K498 PolarHBondContact O-N 3.49Å; K498-Y500 HydrophobicContact CD-CE2 4.16Å; K498-Y500 WeakPolarHBondContact CD-OH 3.45Å; K498-Y500 VanDerWaalsContact CE-OH 3.23Å; K498-Y500 WeakPolarHBondContact CE-OH 3.4Å; K498-Y500 HydrophobicContact CG-CE2 4.05Å; K498-Y500 PolarHBondContact NZ-OH 3.26Å; K498-S514 WeakPolarHBondContact O-CA 3.25Å; K498-E515 HydrophobicContact CB-CB 4.31Å; K498-E515 PolarHBondContact N-O 2.88Å; K498-E515 PolarHBondContact O-N 3.25Å; K498-A518 HydrophobicContact CB-CB 3.63Å; K498-A518 HydrophobicContact CD-CB 4.12Å
499	I	79.7	Confident	85	Confident	1 Å²	1	39 Å²	39	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	133.6	-172.6	-48.6	-58.8	0	0	0	109.8	T408 T409 D410 V411 D497 W501 Q511 V565	T408-I499 HydrophobicContact CG2-CD1 4.45Å; T408-I499 HydrophobicContact CG2-CG1 3.76Å; T409-I499 PolarHBondContact O-N 2.76Å; D410-I499 WeakPolarHBondContact OD1-CB 3.48Å; V411-I499 PolarHBondContact N-O 3.25Å; D497-I499 HydrophobicContact CB-CD1 3.69Å; D497-I499 HydrophobicContact CB-CG1 4.5Å; I499-W501 HydrophobicContact CG2-CD2 4.31Å; I499-W501 HydrophobicContact CG2-CZ2 3.75Å; I499-Q511 HydrophobicContact CG2-CG 3.76Å; I499-V565 HydrophobicContact CD1-CG1 4.46Å; I499-V565 HydrophobicContact CG1-CG1 4.22Å
500	Y	71.9	Confident	84.4	Confident	35 Å²	35	38.9 Å²	38.9	14%	0.137	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126	-179	-60.3	-96.4	0	0	0	109.7	V411 F413 K498 I512 Y513 E515	V411-Y500 HydrophobicContact CB-CD1 3.69Å; V411-Y500 HydrophobicContact CB-CE1 4.12Å; V411-Y500 HydrophobicContact CB-CG 4.43Å; V411-Y500 HydrophobicContact CG1-CD1 3.88Å; V411-Y500 HydrophobicContact CG1-CE1 4.21Å; V411-Y500 HydrophobicContact CG2-CD1 4.21Å; V411-Y500 HydrophobicContact CG2-CE1 4.16Å; V411-Y500 WeakPolarHBondContact O-CA 3.44Å; F413-Y500 AromaticContact CE2-CD1 3.76Å; F413-Y500 HydrophobicContact CE2-CD1 3.76Å; F413-Y500 HydrophobicContact CE2-CG 4.47Å; F413-Y500 HydrophobicContact CZ-CD1 4.09Å; K498-Y500 HydrophobicContact CD-CE2 4.16Å; K498-Y500 WeakPolarHBondContact CD-OH 3.45Å; K498-Y500 VanDerWaalsContact CE-OH 3.23Å; K498-Y500 WeakPolarHBondContact CE-OH 3.4Å; K498-Y500 HydrophobicContact CG-CE2 4.05Å; K498-Y500 PolarHBondContact NZ-OH 3.26Å; Y500-I512 VanDerWaalsContact O-CG1 3.23Å; Y500-I512 WeakPolarHBondContact O-CG1 3.19Å; Y500-I512 PolarHBondContact O-N 3.45Å; Y500-Y513 AromaticContact CD2-CD1 3.5Å; Y500-Y513 HydrophobicContact CD2-CD1 3.5Å; Y500-Y513 HydrophobicContact CD2-CE1 4.36Å; Y500-Y513 HydrophobicContact CD2-CG 4.2Å; Y500-Y513 AromaticContact CE2-CD1 3.61Å; Y500-Y513 HydrophobicContact CE2-CD1 3.61Å; Y500-Y513 HydrophobicContact CE2-CE1 4.05Å; Y500-Y513 HydrophobicContact CG-CD1 4.37Å; Y500-Y513 PolarHBondContact N-O 2.78Å; Y500-Y513 PolarHBondContact O-N 2.99Å; Y500-E515 HydrophobicContact CE2-CB 3.92Å; Y500-E515 WeakPolarHBondContact CE2-OE2 3.42Å; Y500-E515 PolarHBondContact OH-OE2 2.76Å
501	W	79.6	Confident	83.7	Confident	42 Å²	42	43.3 Å²	43.3	16%	0.159	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	136.7	-175.4	-57	92.2	0	0	0	110.1	D410 V411 Y412 F413 I499 F509 G510 Q511 V565	D410-W501 VanDerWaalsContact CG-NE1 3.32Å; D410-W501 PolarHBondContact OD1-NE1 3.17Å; V411-W501 PolarHBondContact O-N 2.82Å; Y412-W501 WeakPolarHBondContact CA-O 3.15Å; Y412-W501 HydrophobicContact CD1-CB 3.53Å; Y412-W501 AromaticContact CD1-CG 3.93Å; Y412-W501 HydrophobicContact CD1-CG 3.93Å; Y412-W501 HydrophobicContact CE1-CB 3.74Å; Y412-W501 AromaticContact CE1-CD1 3.61Å; Y412-W501 HydrophobicContact CE1-CD2 4.3Å; Y412-W501 AromaticContact CE1-CG 3.61Å; Y412-W501 HydrophobicContact CE1-CG 3.61Å; Y412-W501 HydrophobicContact CG-CB 4.4Å; Y412-W501 AromaticContact CZ-CD1 3.9Å; F413-W501 PolarHBondContact N-O 3.44Å; I499-W501 HydrophobicContact CG2-CD2 4.31Å; I499-W501 HydrophobicContact CG2-CZ2 3.75Å; W501-F509 HydrophobicContact CB-CB 4.47Å; W501-F509 HydrophobicContact CB-CD1 4.18Å; W501-F509 HydrophobicContact CE3-CB 4.44Å; W501-G510 CarbonylContact C-O 3.55Å; W501-G510 WeakPolarHBondContact CA-O 3.35Å; W501-Q511 HydrophobicContact CE3-CB 3.93Å; W501-Q511 HydrophobicContact CH2-CB 4.27Å; W501-Q511 HydrophobicContact CZ3-CB 3.78Å; W501-V565 HydrophobicContact CZ2-CG2 4.36Å
502	Q	77	Confident	82.8	Confident	49 Å²	49	47 Å²	47	23%	0.229	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	139.9	171.8	-164	-176.9	6.6	0	0	110.2	D414 E415 M417 F509 G510 I512	D414-Q502 VanDerWaalsContact O-CG 3.28Å; D414-Q502 WeakPolarHBondContact O-CG 3.39Å; D414-Q502 PolarHBondContact O-NE2 2.88Å; E415-Q502 PolarHBondContact O-NE2 2.82Å; M417-Q502 VanDerWaalsContact SD-CD 3.58Å; M417-Q502 HydrophobicContact SD-CG 3.97Å; Q502-F509 WeakPolarHBondContact O-CA 3.32Å; Q502-G510 PolarHBondContact N-O 3.47Å; Q502-G510 PolarHBondContact O-N 3Å; Q502-I512 HydrophobicContact CB-CD1 4.18Å; Q502-I512 HydrophobicContact CB-CG1 4.37Å; Q502-I512 HydrophobicContact CB-CG2 3.63Å
503	R	81.6	Confident	81.8	Confident	66 Å²	66	53.4 Å²	53.4	25%	0.249	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	130.8	170.6	-163.3	-173.4	-70.9	138	-7.3	110.6	F413 E415 T508 F509	F413-R503 PolarHBondContact O-N 2.84Å; E415-R503 HydrophobicContact CG-CB 4.43Å; E415-R503 WeakPolarHBondContact OE1-CD 3.43Å; E415-R503 IonicContact OE1-NH1 3.22Å; E415-R503 IonicContact OE2-CZ 2.89Å; E415-R503 IonicContact OE2-NH1 2.69Å; E415-R503 PolarHBondContact OE2-NH1 2.85Å; E415-R503 VanDerWaalsContact OE2-NH1 3.07Å; R503-T508 CarbonylContact C-O 3.49Å; R503-T508 WeakPolarHBondContact CA-O 3.32Å; R503-T508 WeakPolarHBondContact CG-O 3.38Å; R503-F509 HydrophobicContact CB-CD1 4.1Å; R503-F509 HydrophobicContact CB-CE1 3.67Å; R503-F509 HydrophobicContact CB-CZ 4.11Å; R503-F509 HydrophobicContact CG-CE1 4.23Å; R503-F509 HydrophobicContact CG-CZ 4.23Å
504	N	81.8	Confident	80.9	Confident	66 Å²	66	54.7 Å²	54.7	35%	0.353	28%	0.283	S	S	.	.			trans	-83.1	158.7	171.7	-64.7	-45.2	0	0	0	110.9	D506 G507 T508 G510	N504-D506 VanDerWaalsContact CB-OD1 3.29Å; N504-D506 WeakPolarHBondContact CB-OD1 3.24Å; N504-D506 PolarHBondContact O-N 2.94Å; N504-G507 PolarHBondContact O-N 2.91Å; N504-T508 PolarHBondContact N-O 3.41Å; N504-T508 PolarHBondContact ND2-OG1 3.33Å; N504-G510 PolarHBondContact ND2-N 3.04Å
505	L	84.8	Confident	80	Confident	170 Å²	170	57.9 Å²	57.9	89%	0.89	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-10.3	179.1	-65.3	172.8	0	0	0	115.1	E415	E415-L505 HydrophobicContact CG-CD2 4.33Å
506	D	89.1	Confident	79.4	Confident	119 Å²	119	61.9 Å²	61.9	64%	0.636	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	0.1	173.9	65	4.1	0	0	0	113.5	N504 T508	N504-D506 VanDerWaalsContact CB-OD1 3.29Å; N504-D506 WeakPolarHBondContact CB-OD1 3.24Å; N504-D506 PolarHBondContact O-N 2.94Å; D506-T508 WeakPolarHBondContact OD1-CB 3.25Å; D506-T508 WeakPolarHBondContact OD1-CG2 3.29Å; D506-T508 PolarHBondContact OD1-N 3.17Å; D506-T508 PolarHBondContact OD1-OG1 3.03Å
507	G	83.5	Confident	79.2	Confident	47 Å²	47	65.9 Å²	65.9	49%	0.485	33%	0.331	S	S	.	.	S	Bend	trans	87.3	-2.5	-177.5	0	0	0	0	0	115.1	N504	N504-G507 PolarHBondContact O-N 2.91Å
508	T	88.5	Confident	78.8	Confident	71 Å²	71	66.6 Å²	66.6	44%	0.436	34%	0.338	S	S	.	.			trans	-76.7	172	171.2	66.8	0	0	0	0	111.4	R503 N504 D506	R503-T508 CarbonylContact C-O 3.49Å; R503-T508 WeakPolarHBondContact CA-O 3.32Å; R503-T508 WeakPolarHBondContact CG-O 3.38Å; N504-T508 PolarHBondContact N-O 3.41Å; N504-T508 PolarHBondContact ND2-OG1 3.33Å; D506-T508 WeakPolarHBondContact OD1-CB 3.25Å; D506-T508 WeakPolarHBondContact OD1-CG2 3.29Å; D506-T508 PolarHBondContact OD1-N 3.17Å; D506-T508 PolarHBondContact OD1-OG1 3.03Å
509	F	82.6	Confident	79.3	Confident	69 Å²	69	64.4 Å²	64.4	30%	0.303	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	134.7	173	-76.6	-84.3	0	0	0	111.1	Y412 I420 L423 W501 Q502 R503	Y412-F509 AromaticContact CD1-CD1 3.69Å; Y412-F509 HydrophobicContact CD1-CD1 3.69Å; Y412-F509 HydrophobicContact CD1-CD2 4.5Å; Y412-F509 AromaticContact CD1-CE1 3.72Å; Y412-F509 HydrophobicContact CD1-CE1 3.72Å; Y412-F509 HydrophobicContact CD1-CG 4.09Å; Y412-F509 HydrophobicContact CD1-CZ 4.14Å; Y412-F509 HydrophobicContact CE1-CD1 4.36Å; Y412-F509 HydrophobicContact CE1-CG 4.34Å; Y412-F509 HydrophobicContact CG-CE1 4.38Å; I420-F509 HydrophobicContact CD1-CE1 3.85Å; I420-F509 HydrophobicContact CD1-CZ 3.83Å; L423-F509 HydrophobicContact CD1-CE1 4.45Å; L423-F509 HydrophobicContact CD1-CE2 4.08Å; L423-F509 HydrophobicContact CD1-CZ 3.58Å; W501-F509 HydrophobicContact CB-CB 4.47Å; W501-F509 HydrophobicContact CB-CD1 4.18Å; W501-F509 HydrophobicContact CE3-CB 4.44Å; Q502-F509 WeakPolarHBondContact O-CA 3.32Å; R503-F509 HydrophobicContact CB-CD1 4.1Å; R503-F509 HydrophobicContact CB-CE1 3.67Å; R503-F509 HydrophobicContact CB-CZ 4.11Å; R503-F509 HydrophobicContact CG-CE1 4.23Å; R503-F509 HydrophobicContact CG-CZ 4.23Å
510	G	77	Confident	79.6	Confident	22 Å²	22	64.4 Å²	64.4	23%	0.227	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	138.2	171	0	0	0	0	0	111.1	W501 Q502 N504 I512	W501-G510 CarbonylContact C-O 3.55Å; W501-G510 WeakPolarHBondContact CA-O 3.35Å; Q502-G510 PolarHBondContact N-O 3.47Å; Q502-G510 PolarHBondContact O-N 3Å; N504-G510 PolarHBondContact ND2-N 3.04Å; G510-I512 PolarHBondContact O-N 2.83Å
511	Q	80.9	Confident	80.2	Confident	95 Å²	95	64.9 Å²	64.9	44%	0.444	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	123.4	170.8	-175.1	-177.4	22	0	0	109.2	I499 W501	I499-Q511 HydrophobicContact CG2-CG 3.76Å; W501-Q511 HydrophobicContact CE3-CB 3.93Å; W501-Q511 HydrophobicContact CH2-CB 4.27Å; W501-Q511 HydrophobicContact CZ3-CB 3.78Å
512	I	76.6	Confident	80.8	Confident	77 Å²	77	64.6 Å²	64.6	40%	0.395	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-27.4	179.3	55.5	159.6	0	0	0	113.1	F413 M417 Y500 Q502 G510	F413-I512 HydrophobicContact CD2-CD1 4.1Å; F413-I512 HydrophobicContact CE2-CD1 4.34Å; M417-I512 HydrophobicContact CE-CD1 3.62Å; M417-I512 HydrophobicContact SD-CD1 3.77Å; Y500-I512 VanDerWaalsContact O-CG1 3.23Å; Y500-I512 WeakPolarHBondContact O-CG1 3.19Å; Y500-I512 PolarHBondContact O-N 3.45Å; Q502-I512 HydrophobicContact CB-CD1 4.18Å; Q502-I512 HydrophobicContact CB-CG1 4.37Å; Q502-I512 HydrophobicContact CB-CG2 3.63Å; G510-I512 PolarHBondContact O-N 2.83Å
513	Y	68.7	Low	81.8	Confident	135 Å²	135	62.2 Å²	62.2	53%	0.529	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	160.3	179.2	-175.2	-127.2	0	0	0	112.2	Y500 E515	Y500-Y513 AromaticContact CD2-CD1 3.5Å; Y500-Y513 HydrophobicContact CD2-CD1 3.5Å; Y500-Y513 HydrophobicContact CD2-CE1 4.36Å; Y500-Y513 HydrophobicContact CD2-CG 4.2Å; Y500-Y513 AromaticContact CE2-CD1 3.61Å; Y500-Y513 HydrophobicContact CE2-CD1 3.61Å; Y500-Y513 HydrophobicContact CE2-CE1 4.05Å; Y500-Y513 HydrophobicContact CG-CD1 4.37Å; Y500-Y513 PolarHBondContact N-O 2.78Å; Y500-Y513 PolarHBondContact O-N 2.99Å; Y513-E515 HydrophobicContact CE1-CB 3.85Å; Y513-E515 HydrophobicContact CE1-CG 4.38Å
514	S	73.6	Confident	82.5	Confident	28 Å²	28	59.1 Å²	59.1	20%	0.196	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	124.2	177.9	165.5	0	0	0	0	108.6	D497 K498	D497-S514 PolarHBondContact OD2-OG 3.47Å; K498-S514 WeakPolarHBondContact O-CA 3.25Å
515	E	73.9	Confident	83.3	Confident	67 Å²	67	56.1 Å²	56.1	31%	0.313	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	86.3	-175.5	-172.8	177.9	-169.9	0	0	109.3	K498 Y500 Y513 K517 A518	K498-E515 HydrophobicContact CB-CB 4.31Å; K498-E515 PolarHBondContact N-O 2.88Å; K498-E515 PolarHBondContact O-N 3.25Å; Y500-E515 HydrophobicContact CE2-CB 3.92Å; Y500-E515 WeakPolarHBondContact CE2-OE2 3.42Å; Y500-E515 PolarHBondContact OH-OE2 2.76Å; Y513-E515 HydrophobicContact CE1-CB 3.85Å; Y513-E515 HydrophobicContact CE1-CG 4.38Å; E515-K517 PolarHBondContact O-N 3.37Å; E515-K517 VanDerWaalsContact O-N 3.12Å; E515-A518 HydrophobicContact CG-CB 4.08Å; E515-A518 PolarHBondContact O-N 3.38Å
516	K	77.1	Confident	84	Confident	89 Å²	89	48.7 Å²	48.7	39%	0.387	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-4	-168.2	-47	-166.3	163.8	-81.4	0	115.9	D497	D497-K516 VanDerWaalsContact OD2-CG 3.31Å; D497-K516 WeakPolarHBondContact OD2-CG 3.32Å; D497-K516 IonicContact OD2-NZ 3.08Å; D497-K516 PolarHBondContact OD2-NZ 3.19Å
517	K	78.8	Confident	84.4	Confident	86 Å²	86	43.8 Å²	43.8	37%	0.374	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.8	21.7	-176.9	-43.9	-165.4	-170	175.2	0	112.4	E515 V519 H521 E544 E545	E515-K517 PolarHBondContact O-N 3.37Å; E515-K517 VanDerWaalsContact O-N 3.12Å; K517-V519 VanDerWaalsContact C-N 3.32Å; K517-V519 PolarHBondContact O-N 3.2Å; K517-H521 PolarHBondContact O-CE1 3.29Å; K517-H521 PolarHBondContact O-NE2 2.79Å; K517-E544 HydrophobicContact CD-CB 4.17Å; K517-E544 HydrophobicContact CD-CG 4.37Å; K517-E544 WeakPolarHBondContact CG-OE2 3.07Å; K517-E545 VanDerWaalsContact CE-CG 3.45Å; K517-E545 WeakPolarHBondContact CE-OE1 3.31Å; K517-E545 VanDerWaalsContact NZ-CG 3.28Å; K517-E545 IonicContact NZ-OE1 3.87Å; K517-E545 PolarHBondContact NZ-OE1 2.85Å; K517-E545 IonicContact NZ-OE2 3.57Å; K517-E545 PolarHBondContact NZ-OE2 2.91Å
518	A	74.1	Confident	85	Confident	17 Å²	17	44.1 Å²	44.1	14%	0.14	23%	0.226	C	C	.	.	S	Bend	trans	-69.1	-28.4	-173.1	0	0	0	0	0	113.4	Q398 K498 E515	Q398-A518 VanDerWaalsContact CB-O 3.32Å; Q398-A518 WeakPolarHBondContact CB-O 3.23Å; K498-A518 HydrophobicContact CB-CB 3.63Å; K498-A518 HydrophobicContact CD-CB 4.12Å; E515-A518 HydrophobicContact CG-CB 4.08Å; E515-A518 PolarHBondContact O-N 3.38Å
519	V	83.6	Confident	85.2	Confident	2 Å²	2	44 Å²	44	1%	0.012	24%	0.239	C	C	.	.	S	Bend	trans	-130.7	165.2	-163.5	-55.2	0	0	0	0	113.7	Q398 A400 V428 S496 K517 K541	Q398-V519 CarbonylContact O-C 3.06Å; Q398-V519 WeakPolarHBondContact O-CA 3.45Å; Q398-V519 WeakPolarHBondContact O-CB 3.3Å; A400-V519 HydrophobicContact CB-CB 4.43Å; A400-V519 HydrophobicContact CB-CG1 4.05Å; V428-V519 HydrophobicContact CG1-CG1 4.27Å; V428-V519 HydrophobicContact CG2-CG1 4.12Å; S496-V519 WeakPolarHBondContact O-CG2 3.39Å; K517-V519 VanDerWaalsContact C-N 3.32Å; K517-V519 PolarHBondContact O-N 3.2Å; V519-K541 PolarHBondContact O-NZ 2.79Å
520	G	86.4	Confident	85.7	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.242	C	C	.	.			trans	78.9	36.9	167.9	0	0	0	0	0	115.6	N396 F397 Q398 V494 K541	N396-G520 VanDerWaalsContact OD1-CA 3.24Å; N396-G520 WeakPolarHBondContact OD1-CA 3.4Å; F397-G520 PolarHBondContact O-N 2.94Å; Q398-G520 PolarHBondContact O-N 2.89Å; V494-G520 WeakPolarHBondContact O-CA 3.4Å; G520-K541 WeakPolarHBondContact O-CE 3.37Å
521	H	84.6	Confident	86.2	Confident	46 Å²	46	46 Å²	46	21%	0.213	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	146.3	-172.3	-71.6	-72.1	0	0	0	113.3	E275 F397 K517 I523	E275-H521 HydrophobicContact CB-CB 4.18Å; F397-H521 HydrophobicContact CB-CB 4.4Å; F397-H521 WeakPolarHBondContact CB-O 3.49Å; F397-H521 PolarHBondContact N-O 2.87Å; F397-H521 PolarHBondContact O-N 2.79Å; K517-H521 PolarHBondContact O-CE1 3.29Å; K517-H521 PolarHBondContact O-NE2 2.79Å; H521-I523 VanDerWaalsContact C-N 3.25Å; H521-I523 PolarHBondContact O-N 2.91Å; H521-I523 VanDerWaalsContact O-N 3.11Å
522	C	91.9	Very high	86.9	Confident	35 Å²	35	48.2 Å²	48.2	24%	0.236	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	46	45.3	170	-64.7	0	0	0	0	113.8	I278 F397 S524 T537	I278-C522 HydrophobicContact CD1-CB 4.02Å; F397-C522 HydrophobicContact CD2-CB 3.95Å; F397-C522 WeakPolarHBondContact CD2-O 3.47Å; C522-S524 PolarHBondContact O-N 3.16Å; C522-S524 PolarHBondContact O-OG 3.22Å; C522-T537 WeakPolarHBondContact CA-OG1 3.16Å
523	I	97.9	Very high	87.9	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	115.2	-176.8	-54.5	175	0	0	0	108	V394 T395 N396 V494 H521 D535 I536 T537 Y540	V394-I523 HydrophobicContact CG1-CG2 3.48Å; V394-I523 VanDerWaalsContact CG1-CG2 3.48Å; T395-I523 CarbonylContact O-C 3.35Å; T395-I523 VanDerWaalsContact O-CA 3.32Å; T395-I523 WeakPolarHBondContact O-CA 3.27Å; N396-I523 HydrophobicContact CB-CG1 4.43Å; N396-I523 WeakPolarHBondContact OD1-CG1 3.33Å; V494-I523 HydrophobicContact CB-CD1 4.02Å; V494-I523 HydrophobicContact CG1-CD1 3.66Å; H521-I523 VanDerWaalsContact C-N 3.25Å; H521-I523 PolarHBondContact O-N 2.91Å; H521-I523 VanDerWaalsContact O-N 3.11Å; I523-D535 CarbonylContact O-C 3.51Å; I523-I536 HydrophobicContact CB-CG1 4.45Å; I523-I536 HydrophobicContact CG2-CD1 4.36Å; I523-I536 HydrophobicContact CG2-CG1 3.98Å; I523-I536 VanDerWaalsContact O-CG1 3.28Å; I523-I536 WeakPolarHBondContact O-CG1 3.26Å; I523-I536 PolarHBondContact O-N 3.14Å; I523-T537 HydrophobicContact CD1-CG2 4.32Å; I523-T537 HydrophobicContact CG1-CG2 4.31Å; I523-T537 PolarHBondContact N-OG1 2.91Å; I523-T537 PolarHBondContact O-N 3.01Å; I523-Y540 HydrophobicContact CD1-CG 4.01Å; I523-Y540 HydrophobicContact CG2-CD2 4.18Å; I523-Y540 HydrophobicContact CG2-CE2 4.44Å
524	S	98	Very high	89.3	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142.4	-160.1	-65.9	0	0	0	0	112.5	V394 T395 C522 R533 D534	V394-S524 WeakPolarHBondContact CA-O 3.39Å; T395-S524 PolarHBondContact N-O 3.48Å; T395-S524 PolarHBondContact O-N 2.96Å; C522-S524 PolarHBondContact O-N 3.16Å; C522-S524 PolarHBondContact O-OG 3.22Å; S524-R533 WeakPolarHBondContact OG-CD 3.47Å; S524-R533 PolarHBondContact OG-NH1 3.48Å; S524-D534 WeakPolarHBondContact CA-O 3.48Å
525	T	98.6	Very high	90.4	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.018	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	175.4	165.9	-163.6	0	0	0	0	110.7	Y271 S393 D534 I536	Y271-T525 WeakPolarHBondContact CE2-O 3.43Å; S393-T525 PolarHBondContact O-OG1 3.27Å; T525-D534 HydrophobicContact CG2-CB 4.22Å; T525-D534 PolarHBondContact N-O 3.06Å; T525-D534 VanDerWaalsContact N-O 3.11Å; T525-D534 PolarHBondContact O-N 3.48Å; T525-I536 HydrophobicContact CG2-CD1 4.03Å; T525-I536 HydrophobicContact CG2-CG1 4.47Å; T525-I536 HydrophobicContact CG2-CG2 4.01Å
526	K	97.9	Very high	91.6	Very high	14 Å²	14	43 Å²	43	6%	0.061	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	132.3	175.7	-175.1	-174.8	160.9	-63.2	0	109.2	E261 R269 S530	E261-K526 WeakPolarHBondContact OE1-CD 3.23Å; E261-K526 WeakPolarHBondContact OE1-CE 3.34Å; E261-K526 IonicContact OE1-NZ 3.34Å; E261-K526 PolarHBondContact OE1-NZ 3.5Å; E261-K526 IonicContact OE2-NZ 3.49Å; E261-K526 PolarHBondContact OE2-NZ 2.96Å; R269-K526 HydrophobicContact CB-CB 4.11Å; R269-K526 HydrophobicContact CB-CD 4.19Å; R269-K526 HydrophobicContact CB-CG 4.1Å; R269-K526 HydrophobicContact CG-CD 4.02Å; R269-K526 HydrophobicContact CG-CG 4.13Å; K526-S530 WeakPolarHBondContact CE-O 3.35Å; K526-S530 WeakPolarHBondContact CG-O 3.45Å; K526-S530 PolarHBondContact NZ-O 2.79Å
527	A	97.3	Very high	92.5	Very high	17 Å²	17	40.1 Å²	40.1	14%	0.14	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-64.8	147.8	175.5	0	0	0	0	0	112.4	G529 S530 E532 D534	A527-G529 PolarHBondContact O-N 3.11Å; A527-S530 WeakPolarHBondContact CB-OG 3.48Å; A527-S530 PolarHBondContact O-N 2.69Å; A527-E532 HydrophobicContact CB-CB 4.46Å; A527-E532 WeakPolarHBondContact CB-O 3.47Å; A527-E532 PolarHBondContact N-O 2.82Å; A527-D534 HydrophobicContact CB-CB 4.24Å
528	V	97.8	Very high	93.3	Very high	54 Å²	54	41 Å²	41	33%	0.327	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	130.7	175.6	-179.3	0	0	0	0	109.7	E257 Q258 E261 Y262 S530	E257-V528 HydrophobicContact CB-CG1 3.8Å; E257-V528 WeakPolarHBondContact O-CG1 3.36Å; Q258-V528 HydrophobicContact CG-CG1 4.47Å; Q258-V528 HydrophobicContact CG-CG2 3.97Å; E261-V528 HydrophobicContact CB-CG1 4.11Å; Y262-V528 HydrophobicContact CE2-CG2 4.17Å; Y262-V528 WeakPolarHBondContact OH-CG2 3.31Å; V528-S530 PolarHBondContact O-N 3.05Å
529	G	92.5	Very high	94.3	Very high	68 Å²	68	42.5 Å²	42.5	70%	0.701	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.2	5.5	175.8	0	0	0	0	0	116.3	A527	A527-G529 PolarHBondContact O-N 3.11Å
530	S	92.6	Very high	95	Very high	51 Å²	51	42.4 Å²	42.4	36%	0.357	24%	0.237	S	C	.	.	S	Bend	trans	-146.1	165.5	-178.9	61.9	0	0	0	0	112.7	K526 A527 V528 E532	K526-S530 WeakPolarHBondContact CE-O 3.35Å; K526-S530 WeakPolarHBondContact CG-O 3.45Å; K526-S530 PolarHBondContact NZ-O 2.79Å; A527-S530 WeakPolarHBondContact CB-OG 3.48Å; A527-S530 PolarHBondContact O-N 2.69Å; V528-S530 PolarHBondContact O-N 3.05Å; S530-E532 VanDerWaalsContact C-N 3.31Å
531	D	88	Confident	95.4	Very high	83 Å²	83	42.7 Å²	42.7	44%	0.444	24%	0.239	S	C	.	.	S	Bend	trans	-88.8	3.3	-179.9	-108.5	-19.1	0	0	0	113.6	R269	R269-D531 WeakPolarHBondContact CG-OD1 3.28Å; R269-D531 IonicContact CZ-OD1 3.4Å; R269-D531 IonicContact CZ-OD2 3.71Å; R269-D531 IonicContact NE-OD1 3.99Å; R269-D531 PolarHBondContact NE-OD1 3.42Å; R269-D531 IonicContact NE-OD2 2.7Å; R269-D531 PolarHBondContact NE-OD2 3.22Å; R269-D531 IonicContact NH2-OD1 2.65Å; R269-D531 IonicContact NH2-OD2 3.87Å; R269-D531 PolarHBondContact NH2-OD2 3.39Å
532	E	95.8	Very high	95.8	Very high	140 Å²	140	42 Å²	42	65%	0.654	24%	0.235	S	C	*	.	S	Bend	trans	-78	164	-177	-65.6	-60	154.6	0	0	113	Y271 A527 S530	Y271-E532 PolarHBondContact OH-O 3.4Å; Y271-E532 VanDerWaalsContact OH-O 3.12Å; A527-E532 HydrophobicContact CB-CB 4.46Å; A527-E532 WeakPolarHBondContact CB-O 3.47Å; A527-E532 PolarHBondContact N-O 2.82Å; S530-E532 VanDerWaalsContact C-N 3.31Å
533	R	96.4	Very high	95.7	Very high	89 Å²	89	44.6 Å²	44.6	34%	0.336	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	122.4	177.4	-169.7	-168.7	79.2	97.6	2.6	110.9	Y271 S524 D535	Y271-R533 HydrophobicContact CD1-CB 4.49Å; Y271-R533 HydrophobicContact CD1-CG 4.14Å; Y271-R533 HydrophobicContact CE1-CB 3.76Å; Y271-R533 HydrophobicContact CE1-CG 3.85Å; Y271-R533 HydrophobicContact CE2-CG 4.26Å; Y271-R533 HydrophobicContact CG-CG 4.47Å; Y271-R533 WeakPolarHBondContact OH-CA 3.44Å; Y271-R533 PolarHBondContact OH-N 3.15Å; S524-R533 WeakPolarHBondContact OG-CD 3.47Å; S524-R533 PolarHBondContact OG-NH1 3.48Å; R533-D535 IonicContact CZ-OD2 2.72Å; R533-D535 IonicContact NH1-OD2 2.73Å; R533-D535 PolarHBondContact NH1-OD2 3.08Å; R533-D535 IonicContact NH2-OD2 2.72Å; R533-D535 PolarHBondContact NH2-OD2 2.8Å
534	D	97.8	Very high	95.1	Very high	61 Å²	61	47.1 Å²	47.1	33%	0.326	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	142.6	164.5	-174	24.6	0	0	0	110.2	S524 T525 A527 I536	S524-D534 WeakPolarHBondContact CA-O 3.48Å; T525-D534 HydrophobicContact CG2-CB 4.22Å; T525-D534 PolarHBondContact N-O 3.06Å; T525-D534 VanDerWaalsContact N-O 3.11Å; T525-D534 PolarHBondContact O-N 3.48Å; A527-D534 HydrophobicContact CB-CB 4.24Å; D534-I536 WeakPolarHBondContact OD2-CG2 3.24Å
535	D	97.6	Very high	94.4	Very high	48 Å²	48	54.5 Å²	54.5	26%	0.257	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	95.2	-177.5	-160.6	-52.5	0	0	0	111.1	I523 R533 T537 H538	I523-D535 CarbonylContact O-C 3.51Å; R533-D535 IonicContact CZ-OD2 2.72Å; R533-D535 IonicContact NH1-OD2 2.73Å; R533-D535 PolarHBondContact NH1-OD2 3.08Å; R533-D535 IonicContact NH2-OD2 2.72Å; R533-D535 PolarHBondContact NH2-OD2 2.8Å; D535-T537 WeakPolarHBondContact OD1-CB 3.18Å; D535-T537 PolarHBondContact OD1-N 2.9Å; D535-T537 PolarHBondContact OD1-OG1 2.7Å; D535-H538 PolarHBondContact O-CE1 2.88Å; D535-H538 PolarHBondContact O-ND1 3.13Å
536	I	98.1	Very high	93.8	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	30%	0.304	C	S	.	.			trans	-95	13.7	-174.2	61.6	168.1	0	0	0	113	V394 I523 T525 D534 H538 L539 Y540	V394-I536 HydrophobicContact CG1-CD1 3.99Å; V394-I536 HydrophobicContact CG2-CD1 3.86Å; I523-I536 HydrophobicContact CB-CG1 4.45Å; I523-I536 HydrophobicContact CG2-CD1 4.36Å; I523-I536 HydrophobicContact CG2-CG1 3.98Å; I523-I536 VanDerWaalsContact O-CG1 3.28Å; I523-I536 WeakPolarHBondContact O-CG1 3.26Å; I523-I536 PolarHBondContact O-N 3.14Å; T525-I536 HydrophobicContact CG2-CD1 4.03Å; T525-I536 HydrophobicContact CG2-CG1 4.47Å; T525-I536 HydrophobicContact CG2-CG2 4.01Å; D534-I536 WeakPolarHBondContact OD2-CG2 3.24Å; I536-H538 PolarHBondContact O-N 2.89Å; I536-H538 VanDerWaalsContact O-N 3.11Å; I536-L539 HydrophobicContact CB-CD1 3.92Å; I536-L539 HydrophobicContact CB-CG 4.16Å; I536-L539 HydrophobicContact CG2-CD1 4.04Å; I536-L539 WeakPolarHBondContact O-CB 3.35Å; I536-L539 PolarHBondContact O-N 2.9Å; I536-Y540 HydrophobicContact CD1-CE2 4.25Å
537	T	96.9	Very high	93.2	Very high	27 Å²	27	57.7 Å²	57.7	17%	0.166	32%	0.315	C	S	.	.	H	α-helix	trans	-50.7	-38.5	173.5	-46.7	0	0	0	0	111.3	C522 I523 D535 L539 Y540 K541	C522-T537 WeakPolarHBondContact CA-OG1 3.16Å; I523-T537 HydrophobicContact CD1-CG2 4.32Å; I523-T537 HydrophobicContact CG1-CG2 4.31Å; I523-T537 PolarHBondContact N-OG1 2.91Å; I523-T537 PolarHBondContact O-N 3.01Å; D535-T537 WeakPolarHBondContact OD1-CB 3.18Å; D535-T537 PolarHBondContact OD1-N 2.9Å; D535-T537 PolarHBondContact OD1-OG1 2.7Å; T537-L539 PolarHBondContact O-N 2.7Å; T537-Y540 PolarHBondContact O-N 2.96Å; T537-Y540 VanDerWaalsContact O-N 3.16Å; T537-K541 HydrophobicContact CG2-CG 4.2Å; T537-K541 PolarHBondContact O-N 3.23Å
538	H	95.4	Very high	92.6	Very high	106 Å²	106	58.5 Å²	58.5	49%	0.491	32%	0.316	S	S	.	.	H	α-helix	trans	-69.3	-6	178.5	77.1	-87.5	0	0	0	115	R477 D535 I536	R477-H538 PolarHBondContact NH1-O 2.83Å; R477-H538 PolarHBondContact NH2-O 3.35Å; D535-H538 PolarHBondContact O-CE1 2.88Å; D535-H538 PolarHBondContact O-ND1 3.13Å; I536-H538 PolarHBondContact O-N 2.89Å; I536-H538 VanDerWaalsContact O-N 3.11Å
539	L	96.2	Very high	92.3	Very high	48 Å²	48	56.4 Å²	56.4	25%	0.251	30%	0.303	S	S	.	.	H	α-helix	trans	-90.2	-41.4	168.9	-58.8	-175.1	0	0	0	111	V473 R477 I536 T537	V473-L539 HydrophobicContact CG1-CB 4.09Å; R477-L539 WeakPolarHBondContact CB-O 3.42Å; R477-L539 WeakPolarHBondContact CG-O 3.24Å; I536-L539 HydrophobicContact CB-CD1 3.92Å; I536-L539 HydrophobicContact CB-CG 4.16Å; I536-L539 HydrophobicContact CG2-CD1 4.04Å; I536-L539 WeakPolarHBondContact O-CB 3.35Å; I536-L539 PolarHBondContact O-N 2.9Å; T537-L539 PolarHBondContact O-N 2.7Å
540	Y	97.1	Very high	92	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-81	-31.3	-174.1	-86.8	-99.8	0	0	0	114	W434 D436 A453 V473 I476 R477 V490 V494 I523 I536 T537	W434-Y540 HydrophobicContact CZ2-CD1 4.25Å; W434-Y540 AromaticContact CZ2-CE1 3.64Å; W434-Y540 HydrophobicContact CZ2-CE1 3.64Å; W434-Y540 AromaticContact NE1-CE1 3.95Å; W434-Y540 AromaticContact NE1-CZ 3.65Å; W434-Y540 PolarHBondContact NE1-OH 3.05Å; D436-Y540 PolarHBondContact OD1-OH 3.29Å; A453-Y540 HydrophobicContact CB-CE1 4.14Å; A453-Y540 WeakPolarHBondContact CB-OH 3.07Å; V473-Y540 HydrophobicContact CG1-CD1 4.39Å; V473-Y540 HydrophobicContact CG1-CD2 3.78Å; V473-Y540 HydrophobicContact CG1-CE1 4.45Å; V473-Y540 HydrophobicContact CG1-CE2 3.81Å; V473-Y540 HydrophobicContact CG1-CG 4.07Å; V473-Y540 HydrophobicContact CG2-CE1 4.18Å; V473-Y540 HydrophobicContact CG2-CE2 3.99Å; I476-Y540 HydrophobicContact CD1-CE1 4.24Å; I476-Y540 HydrophobicContact CG2-CD1 4.3Å; R477-Y540 VanDerWaalsContact CA-O 3.23Å; R477-Y540 WeakPolarHBondContact CA-O 3.47Å; R477-Y540 PolarHBondContact N-O 3.47Å; V490-Y540 HydrophobicContact CG1-CE1 4.5Å; V494-Y540 HydrophobicContact CG1-CD1 3.91Å; V494-Y540 HydrophobicContact CG2-CD1 4.31Å; I523-Y540 HydrophobicContact CD1-CG 4.01Å; I523-Y540 HydrophobicContact CG2-CD2 4.18Å; I523-Y540 HydrophobicContact CG2-CE2 4.44Å; I536-Y540 HydrophobicContact CD1-CE2 4.25Å; T537-Y540 PolarHBondContact O-N 2.96Å; T537-Y540 VanDerWaalsContact O-N 3.16Å
541	K	94.4	Very high	91.7	Very high	6 Å²	6	52.4 Å²	52.4	3%	0.026	26%	0.259	C	S	.	.	S	Bend	trans	-141.6	172.4	174.3	58.5	175.6	167.2	177.8	0	114.2	R477 V494 N495 V519 G520 T537 E544	R477-K541 PolarHBondContact NH2-O 3.34Å; V494-K541 WeakPolarHBondContact O-CE 3.43Å; V494-K541 PolarHBondContact O-NZ 2.7Å; N495-K541 WeakPolarHBondContact OD1-CD 3.44Å; V519-K541 PolarHBondContact O-NZ 2.79Å; G520-K541 WeakPolarHBondContact O-CE 3.37Å; T537-K541 HydrophobicContact CG2-CG 4.2Å; T537-K541 PolarHBondContact O-N 3.23Å; K541-E544 VanDerWaalsContact CE-OE1 3.3Å; K541-E544 WeakPolarHBondContact CE-OE1 3.41Å; K541-E544 IonicContact NZ-OE1 3.57Å; K541-E544 PolarHBondContact NZ-OE1 2.68Å
542	H	92.6	Very high	91.8	Very high	31 Å²	31	48.6 Å²	48.6	14%	0.144	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-81.9	163.9	168.7	-76.4	-99.9	0	0	0	110.3	R477 E548 E549	R477-H542 PolarHBondContact NE-NE2 2.8Å; R477-H542 PolarHBondContact O-CD2 3.43Å; H542-E548 HydrophobicContact CB-CB 4.18Å; H542-E548 VanDerWaalsContact ND1-CB 3.26Å; H542-E548 WeakPolarHBondContact ND1-CB 3.45Å; H542-E549 HydrophobicContact CB-CB 3.92Å
543	P	90.4	Very high	91.4	Very high	90 Å²	90	41.9 Å²	41.9	58%	0.584	21%	0.208	S	C	*	.	P	Polyproline II helix	trans	-60.2	140.8	177.1	-21.3	33.8	0	0	0	111.4	S546 E549	P543-S546 VanDerWaalsContact O-CB 3.23Å; P543-S546 WeakPolarHBondContact O-CB 3.41Å; P543-S546 PolarHBondContact O-N 2.8Å; P543-S546 VanDerWaalsContact O-N 3.12Å; P543-E549 WeakPolarHBondContact O-CB 3.31Å
544	E	85.3	Confident	90.8	Very high	53 Å²	53	39.2 Å²	39.2	25%	0.248	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	139.7	172.9	-61.2	-65	155.3	0	0	111.5	K517 K541 S546	K517-E544 HydrophobicContact CD-CB 4.17Å; K517-E544 HydrophobicContact CD-CG 4.37Å; K517-E544 WeakPolarHBondContact CG-OE2 3.07Å; K541-E544 VanDerWaalsContact CE-OE1 3.3Å; K541-E544 WeakPolarHBondContact CE-OE1 3.41Å; K541-E544 IonicContact NZ-OE1 3.57Å; K541-E544 PolarHBondContact NZ-OE1 2.68Å; E544-S546 PolarHBondContact O-N 3.22Å
545	E	83.3	Confident	90.2	Very high	154 Å²	154	37 Å²	37	72%	0.72	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.8	8	-177	-53.2	174	147	0	0	115.4	K517	K517-E545 VanDerWaalsContact CE-CG 3.45Å; K517-E545 WeakPolarHBondContact CE-OE1 3.31Å; K517-E545 VanDerWaalsContact NZ-CG 3.28Å; K517-E545 IonicContact NZ-OE1 3.87Å; K517-E545 PolarHBondContact NZ-OE1 2.85Å; K517-E545 IonicContact NZ-OE2 3.57Å; K517-E545 PolarHBondContact NZ-OE2 2.91Å
546	S	86.8	Confident	89.7	Confident	20 Å²	20	34.7 Å²	34.7	14%	0.14	18%	0.175	C	C	.	.			trans	-82.7	143	172	119.5	0	0	0	0	110.9	P543 E544 E548 E549 R550	P543-S546 VanDerWaalsContact O-CB 3.23Å; P543-S546 WeakPolarHBondContact O-CB 3.41Å; P543-S546 PolarHBondContact O-N 2.8Å; P543-S546 VanDerWaalsContact O-N 3.12Å; E544-S546 PolarHBondContact O-N 3.22Å; S546-E548 VanDerWaalsContact CB-OE2 3.27Å; S546-E548 WeakPolarHBondContact CB-OE2 3.18Å; S546-E548 PolarHBondContact O-N 2.79Å; S546-E548 VanDerWaalsContact O-N 3.14Å; S546-E548 WeakPolarHBondContact OG-CB 3.42Å; S546-E548 PolarHBondContact OG-N 2.85Å; S546-E548 PolarHBondContact OG-OE2 3.13Å; S546-E549 WeakPolarHBondContact O-CB 3.44Å; S546-E549 PolarHBondContact O-N 2.8Å; S546-E549 PolarHBondContact OG-N 3.14Å; S546-R550 PolarHBondContact O-N 3.17Å
547	E	84.1	Confident	89	Confident	65 Å²	65	34.7 Å²	34.7	30%	0.304	18%	0.175	S	C	.	.	H	α-helix	trans	-57.4	-31.3	177.6	-176.7	69.1	165.6	0	0	111.5	R550 I551 R671	E547-R550 PolarHBondContact O-N 3.19Å; E547-I551 HydrophobicContact CG-CD1 3.96Å; E547-I551 WeakPolarHBondContact O-CB 3.22Å; E547-I551 WeakPolarHBondContact O-CD1 3.24Å; E547-I551 WeakPolarHBondContact O-CG1 3.5Å; E547-I551 PolarHBondContact O-N 3.43Å; E547-R671 WeakPolarHBondContact OE1-CB 3.19Å; E547-R671 IonicContact OE1-CZ 3.87Å; E547-R671 IonicContact OE1-NH1 3.32Å; E547-R671 PolarHBondContact OE1-NH1 2.94Å; E547-R671 IonicContact OE2-CZ 3.38Å; E547-R671 IonicContact OE2-NH1 3.11Å; E547-R671 PolarHBondContact OE2-NH1 3.06Å
548	E	86.5	Confident	88.3	Confident	34 Å²	34	37.6 Å²	37.6	16%	0.159	18%	0.183	C	C	.	.	H	α-helix	trans	-67.4	-37.6	174.6	-51.7	91.3	150.4	0	0	113.6	H542 S546 A552 H610 K630	H542-E548 HydrophobicContact CB-CB 4.18Å; H542-E548 VanDerWaalsContact ND1-CB 3.26Å; H542-E548 WeakPolarHBondContact ND1-CB 3.45Å; S546-E548 VanDerWaalsContact CB-OE2 3.27Å; S546-E548 WeakPolarHBondContact CB-OE2 3.18Å; S546-E548 PolarHBondContact O-N 2.79Å; S546-E548 VanDerWaalsContact O-N 3.14Å; S546-E548 WeakPolarHBondContact OG-CB 3.42Å; S546-E548 PolarHBondContact OG-N 2.85Å; S546-E548 PolarHBondContact OG-OE2 3.13Å; E548-A552 PolarHBondContact O-N 3.36Å; E548-A552 VanDerWaalsContact O-N 3.11Å; E548-H610 HydrophobicContact CG-CB 4.15Å; E548-H610 WeakPolarHBondContact CG-ND1 3.16Å; E548-H610 IonicContact OE1-CE1 2.66Å; E548-H610 PolarHBondContact OE1-CE1 3.44Å; E548-H610 IonicContact OE1-CG 2.76Å; E548-H610 IonicContact OE1-ND1 2.9Å; E548-H610 PolarHBondContact OE1-ND1 3.09Å; E548-H610 IonicContact OE2-CE1 3.69Å; E548-H610 IonicContact OE2-ND1 2.71Å; E548-K630 WeakPolarHBondContact OE1-CE 3.28Å; E548-K630 IonicContact OE1-NZ 2.62Å; E548-K630 IonicContact OE2-NZ 2.8Å
549	E	90	Very high	87.7	Confident	9 Å²	9	39.1 Å²	39.1	4%	0.042	19%	0.186	C	C	.	.	H	α-helix	trans	-61.5	-49.6	168.1	162.6	-83.4	117.3	0	0	109.9	H542 P543 S546 I551 A552 V553	H542-E549 HydrophobicContact CB-CB 3.92Å; P543-E549 WeakPolarHBondContact O-CB 3.31Å; S546-E549 WeakPolarHBondContact O-CB 3.44Å; S546-E549 PolarHBondContact O-N 2.8Å; S546-E549 PolarHBondContact OG-N 3.14Å; E549-I551 PolarHBondContact O-N 3.11Å; E549-A552 WeakPolarHBondContact O-CB 3.48Å; E549-A552 PolarHBondContact O-N 2.88Å; E549-V553 PolarHBondContact O-N 2.83Å; E549-V553 VanDerWaalsContact O-N 3.1Å
550	R	87.4	Confident	86.9	Confident	28 Å²	28	37.5 Å²	37.5	11%	0.106	18%	0.18	C	C	.	.	H	α-helix	trans	-66.6	-29.8	-172.7	-156.4	46.9	-88	152.5	-8.7	112.1	D497 S546 E547 V553 E554 R671	D497-R550 IonicContact OD1-NH1 2.65Å; D497-R550 PolarHBondContact OD1-NH1 3.48Å; D497-R550 IonicContact OD2-NH1 2.81Å; S546-R550 PolarHBondContact O-N 3.17Å; E547-R550 PolarHBondContact O-N 3.19Å; R550-V553 VanDerWaalsContact NH2-CB 3.31Å; R550-V553 VanDerWaalsContact NH2-CG1 3.3Å; R550-E554 WeakPolarHBondContact CG-OE1 3.46Å; R550-E554 IonicContact CZ-OE1 3.55Å; R550-E554 IonicContact NE-OE1 2.77Å; R550-E554 PolarHBondContact NE-OE1 2.99Å; R550-E554 IonicContact NH2-OE1 3.49Å; R550-E554 WeakPolarHBondContact O-CB 3.47Å; R550-E554 WeakPolarHBondContact O-CG 3.45Å; R550-E554 PolarHBondContact O-N 2.72Å; R550-E554 VanDerWaalsContact O-OE1 3.1Å; R550-R671 PolarHBondContact O-NH2 3.25Å
551	I	85.6	Confident	85.8	Confident	8 Å²	8	40.6 Å²	40.6	4%	0.041	20%	0.202	C	C	.	.	H	α-helix	trans	-69.9	-43	168.9	-76.5	161.7	0	0	0	112	E547 E549 E554 T555 G670 V678	E547-I551 HydrophobicContact CG-CD1 3.96Å; E547-I551 WeakPolarHBondContact O-CB 3.22Å; E547-I551 WeakPolarHBondContact O-CD1 3.24Å; E547-I551 WeakPolarHBondContact O-CG1 3.5Å; E547-I551 PolarHBondContact O-N 3.43Å; E549-I551 PolarHBondContact O-N 3.11Å; I551-E554 PolarHBondContact O-N 3.24Å; I551-T555 VanDerWaalsContact O-CB 3.3Å; I551-T555 WeakPolarHBondContact O-CB 3.5Å; I551-T555 PolarHBondContact O-N 3.05Å; I551-T555 PolarHBondContact O-OG1 3.22Å; I551-G670 VanDerWaalsContact CD1-CA 3.49Å; I551-V678 HydrophobicContact CG1-CG1 4.43Å; I551-V678 HydrophobicContact CG2-CG1 3.7Å
552	A	89.2	Confident	84.8	Confident	2 Å²	2	42.4 Å²	42.4	2%	0.017	21%	0.21	C	C	.	.	H	α-helix	trans	-63	-48.5	-177.3	0	0	0	0	0	112	G479 E548 E549 T555 A556	G479-A552 WeakPolarHBondContact CA-O 3.25Å; E548-A552 PolarHBondContact O-N 3.36Å; E548-A552 VanDerWaalsContact O-N 3.11Å; E549-A552 WeakPolarHBondContact O-CB 3.48Å; E549-A552 PolarHBondContact O-N 2.88Å; A552-T555 PolarHBondContact O-N 3.12Å; A552-A556 WeakPolarHBondContact O-CB 3.15Å; A552-A556 PolarHBondContact O-N 2.72Å
553	V	88.1	Confident	83.7	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-69.4	-35.7	179.1	179.2	0	0	0	0	111.9	F491 N495 E549 R550 A556 C557	F491-V553 HydrophobicContact CE1-CB 4.33Å; F491-V553 HydrophobicContact CE1-CG1 4.39Å; F491-V553 HydrophobicContact CE1-CG2 3.99Å; F491-V553 HydrophobicContact CZ-CB 4.16Å; F491-V553 HydrophobicContact CZ-CG2 3.66Å; N495-V553 HydrophobicContact CB-CG2 4.22Å; N495-V553 WeakPolarHBondContact ND2-CG2 3.05Å; N495-V553 WeakPolarHBondContact O-CG2 3.29Å; E549-V553 PolarHBondContact O-N 2.83Å; E549-V553 VanDerWaalsContact O-N 3.1Å; R550-V553 VanDerWaalsContact NH2-CB 3.31Å; R550-V553 VanDerWaalsContact NH2-CG1 3.3Å; V553-A556 PolarHBondContact O-N 3.12Å; V553-C557 WeakPolarHBondContact O-CB 3.39Å; V553-C557 PolarHBondContact O-N 2.86Å; V553-C557 PolarHBondContact O-SG 2.63Å
554	E	83.9	Confident	82.7	Confident	33 Å²	33	44.7 Å²	44.7	15%	0.154	22%	0.221	C	C	.	.	H	α-helix	trans	-64.7	-38.9	171	-86.6	153.4	-133.2	0	0	112.8	R550 I551 A556 R558 Y566 R671 V678	R550-E554 WeakPolarHBondContact CG-OE1 3.46Å; R550-E554 IonicContact CZ-OE1 3.55Å; R550-E554 IonicContact NE-OE1 2.77Å; R550-E554 PolarHBondContact NE-OE1 2.99Å; R550-E554 IonicContact NH2-OE1 3.49Å; R550-E554 WeakPolarHBondContact O-CB 3.47Å; R550-E554 WeakPolarHBondContact O-CG 3.45Å; R550-E554 PolarHBondContact O-N 2.72Å; R550-E554 VanDerWaalsContact O-OE1 3.1Å; I551-E554 PolarHBondContact O-N 3.24Å; E554-A556 VanDerWaalsContact C-N 3.35Å; E554-R558 WeakPolarHBondContact O-CD 3.12Å; E554-R558 VanDerWaalsContact O-CG 3.27Å; E554-R558 WeakPolarHBondContact O-CG 3.34Å; E554-R558 PolarHBondContact O-N 3.41Å; E554-Y566 HydrophobicContact CG-CD1 4.45Å; E554-Y566 HydrophobicContact CG-CG 4.38Å; E554-R671 IonicContact OE1-CZ 3.07Å; E554-R671 IonicContact OE1-NE 3.93Å; E554-R671 IonicContact OE1-NH2 3.8Å; E554-R671 PolarHBondContact OE1-NH2 2.85Å; E554-R671 IonicContact OE2-CZ 4Å; E554-R671 IonicContact OE2-NE 3.39Å; E554-R671 PolarHBondContact OE2-NE 2.92Å; E554-R671 IonicContact OE2-NH2 2.93Å; E554-R671 PolarHBondContact OE2-NH2 3.47Å; E554-V678 HydrophobicContact CB-CG2 4.16Å
555	T	85.1	Confident	81.9	Confident	13 Å²	13	43.3 Å²	43.3	8%	0.08	22%	0.216	C	C	.	.	H	α-helix	trans	-64.2	-42.8	175.1	-56.8	0	0	0	0	110.3	I551 A552 Y559	I551-T555 VanDerWaalsContact O-CB 3.3Å; I551-T555 WeakPolarHBondContact O-CB 3.5Å; I551-T555 PolarHBondContact O-N 3.05Å; I551-T555 PolarHBondContact O-OG1 3.22Å; A552-T555 PolarHBondContact O-N 3.12Å; T555-Y559 WeakPolarHBondContact O-CD2 3.23Å
556	A	87.3	Confident	81.2	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.9	-53.9	178.2	0	0	0	0	0	112	L407 G479 V481 F491 A552 V553 E554 R558 Y559 G560	L407-A556 VanDerWaalsContact CD1-C 3.5Å; L407-A556 HydrophobicContact CD1-CB 4.09Å; L407-A556 WeakPolarHBondContact CD1-O 3.47Å; G479-A556 WeakPolarHBondContact O-CA 3.24Å; G479-A556 PolarHBondContact O-N 2.84Å; V481-A556 HydrophobicContact CG1-CB 3.69Å; V481-A556 HydrophobicContact CG2-CB 4.26Å; V481-A556 WeakPolarHBondContact CG2-O 3.09Å; F491-A556 HydrophobicContact CD1-CB 3.65Å; F491-A556 HydrophobicContact CD2-CB 4.38Å; F491-A556 HydrophobicContact CE1-CB 3.3Å; F491-A556 HydrophobicContact CE2-CB 4.08Å; F491-A556 HydrophobicContact CG-CB 4.18Å; F491-A556 HydrophobicContact CZ-CB 3.54Å; A552-A556 WeakPolarHBondContact O-CB 3.15Å; A552-A556 PolarHBondContact O-N 2.72Å; V553-A556 PolarHBondContact O-N 3.12Å; E554-A556 VanDerWaalsContact C-N 3.35Å; A556-R558 PolarHBondContact O-N 3.34Å; A556-Y559 PolarHBondContact O-N 3.31Å; A556-G560 PolarHBondContact O-N 2.86Å
557	C	84.3	Confident	79.9	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.014	22%	0.218	C	C	.	.	H	α-helix	trans	-62.9	-27.9	-173.4	-62.8	0	0	0	0	113.4	V553 Y559 G560 P563 Y566	V553-C557 WeakPolarHBondContact O-CB 3.39Å; V553-C557 PolarHBondContact O-N 2.86Å; V553-C557 PolarHBondContact O-SG 2.63Å; C557-Y559 PolarHBondContact O-N 2.97Å; C557-Y559 VanDerWaalsContact O-N 3.08Å; C557-G560 PolarHBondContact O-N 2.73Å; C557-P563 WeakPolarHBondContact O-CA 3.48Å; C557-Y566 HydrophobicContact CB-CD2 3.76Å; C557-Y566 HydrophobicContact CB-CE2 3.71Å; C557-Y566 WeakPolarHBondContact SG-CE2 3.41Å
558	R	81.6	Confident	78.7	Confident	87 Å²	87	42.8 Å²	42.8	33%	0.328	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-20.4	169.4	-76.3	163.3	169.3	-114.6	2.8	114.3	E554 A556 E572	E554-R558 WeakPolarHBondContact O-CD 3.12Å; E554-R558 VanDerWaalsContact O-CG 3.27Å; E554-R558 WeakPolarHBondContact O-CG 3.34Å; E554-R558 PolarHBondContact O-N 3.41Å; A556-R558 PolarHBondContact O-N 3.34Å; R558-E572 IonicContact CZ-OE1 2.69Å; R558-E572 IonicContact NH1-OE1 3.74Å; R558-E572 PolarHBondContact NH1-OE1 2.95Å; R558-E572 IonicContact NH2-OE1 3.49Å; R558-E572 PolarHBondContact NH2-OE1 3Å; R558-E572 VanDerWaalsContact NH2-OE1 3.11Å
559	Y	83.6	Confident	77.5	Confident	138 Å²	138	42.6 Å²	42.6	54%	0.541	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	2.6	176.2	-59.1	-81	0	0	0	113.5	V481 Y482 T555 A556 C557	V481-Y559 HydrophobicContact CG2-CD2 4.36Å; V481-Y559 HydrophobicContact CG2-CG 4.47Å; Y482-Y559 HydrophobicContact CD1-CD1 4.37Å; Y482-Y559 AromaticContact CD1-CD2 3.8Å; Y482-Y559 HydrophobicContact CD1-CD2 3.8Å; Y482-Y559 HydrophobicContact CD1-CE1 4.08Å; Y482-Y559 AromaticContact CD1-CE2 3.49Å; Y482-Y559 HydrophobicContact CD1-CE2 3.49Å; Y482-Y559 VanDerWaalsContact CD1-CE2 3.49Å; Y482-Y559 HydrophobicContact CD1-CG 4.24Å; Y482-Y559 AromaticContact CD1-CZ 3.64Å; Y482-Y559 AromaticContact CE1-CE2 3.91Å; Y482-Y559 HydrophobicContact CE1-CE2 3.91Å; Y482-Y559 HydrophobicContact CG-CE1 4.44Å; T555-Y559 WeakPolarHBondContact O-CD2 3.23Å; A556-Y559 PolarHBondContact O-N 3.31Å; C557-Y559 PolarHBondContact O-N 2.97Å; C557-Y559 VanDerWaalsContact O-N 3.08Å
560	G	79.5	Confident	76.6	Confident	14 Å²	14	46.4 Å²	46.4	14%	0.144	26%	0.263	C	S	.	.	S	Bend	trans	-82.7	179.6	174	0	0	0	0	0	112.9	V405 A556 C557 K562	V405-G560 CarbonylContact O-C 3.54Å; V405-G560 WeakPolarHBondContact O-CA 3.46Å; A556-G560 PolarHBondContact O-N 2.86Å; C557-G560 PolarHBondContact O-N 2.73Å; G560-K562 VanDerWaalsContact C-N 3.28Å; G560-K562 PolarHBondContact O-N 3.19Å
561	S	73.9	Confident	76.2	Confident	66 Å²	66	46.6 Å²	46.6	46%	0.462	27%	0.271	S	S	.	.	S	Bend	trans	-72	-18.1	179.4	65.6	0	0	0	0	114	D404 V405 S406 P563	D404-S561 WeakPolarHBondContact O-CB 3.26Å; D404-S561 PolarHBondContact O-OG 2.91Å; V405-S561 PolarHBondContact O-N 3.03Å; V405-S561 PolarHBondContact O-OG 2.77Å; S406-S561 WeakPolarHBondContact CA-OG 3.46Å; S406-S561 WeakPolarHBondContact CB-OG 3.48Å; S406-S561 PolarHBondContact N-OG 3.25Å; S561-P563 WeakPolarHBondContact O-CD 3.42Å
562	K	71.9	Confident	75.9	Confident	44 Å²	44	51.7 Å²	51.7	19%	0.191	30%	0.295	C	S	.	.			trans	-125.1	65	-178	-54.2	179.5	-169.1	130	0	112.1	D404 S406 D410 G560 D564 V565	D404-K562 IonicContact OD1-NZ 2.7Å; D404-K562 PolarHBondContact OD1-NZ 3.24Å; D404-K562 WeakPolarHBondContact OD2-CE 3.4Å; D404-K562 IonicContact OD2-NZ 2.69Å; D404-K562 PolarHBondContact OD2-NZ 2.84Å; S406-K562 VanDerWaalsContact CB-CD 3.48Å; S406-K562 PolarHBondContact OG-NZ 3.03Å; S406-K562 VanDerWaalsContact OG-NZ 3.1Å; D410-K562 IonicContact OD2-NZ 2.67Å; D410-K562 PolarHBondContact OD2-NZ 3.07Å; G560-K562 VanDerWaalsContact C-N 3.28Å; G560-K562 PolarHBondContact O-N 3.19Å; K562-D564 VanDerWaalsContact C-N 3.25Å; K562-D564 PolarHBondContact O-N 2.96Å; K562-D564 VanDerWaalsContact O-N 3.17Å; K562-V565 HydrophobicContact CB-CG2 3.62Å; K562-V565 WeakPolarHBondContact O-CG2 3.47Å; K562-V565 PolarHBondContact O-N 2.93Å
563	P	69.8	Low	75.7	Confident	53 Å²	53	52.4 Å²	52.4	34%	0.344	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-65.8	-20.8	-170.6	27.4	-36.4	0	0	0	115.2	C557 S561	C557-P563 WeakPolarHBondContact O-CA 3.48Å; S561-P563 WeakPolarHBondContact O-CD 3.42Å
564	D	69.6	Low	75.5	Confident	115 Å²	115	52.7 Å²	52.7	62%	0.615	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-88.4	4.1	-179.2	-65.3	-70.5	0	0	0	114.7	K562 Y566 T568	K562-D564 VanDerWaalsContact C-N 3.25Å; K562-D564 PolarHBondContact O-N 2.96Å; K562-D564 VanDerWaalsContact O-N 3.17Å; D564-Y566 PolarHBondContact O-N 2.91Å; D564-T568 VanDerWaalsContact OD1-CG2 3.24Å; D564-T568 WeakPolarHBondContact OD1-CG2 3.43Å; D564-T568 PolarHBondContact OD1-OG1 2.96Å
565	V	68.8	Low	75.6	Confident	24 Å²	24	52.5 Å²	52.5	15%	0.145	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-64.2	-26.5	178.7	173.5	0	0	0	0	112.5	T408 I499 W501 K562	T408-V565 HydrophobicContact CG2-CG1 4.15Å; I499-V565 HydrophobicContact CD1-CG1 4.46Å; I499-V565 HydrophobicContact CG1-CG1 4.22Å; W501-V565 HydrophobicContact CZ2-CG2 4.36Å; K562-V565 HydrophobicContact CB-CG2 3.62Å; K562-V565 WeakPolarHBondContact O-CG2 3.47Å; K562-V565 PolarHBondContact O-N 2.93Å
566	Y	68.2	Low	75.5	Confident	26 Å²	26	52.7 Å²	52.7	10%	0.102	30%	0.303	C	S	.	.	S	Bend	trans	-111.1	146.2	171.7	-53.9	-97.2	0	0	0	107.9	T408 D497 E554 C557 D564 T568	T408-Y566 HydrophobicContact CG2-CE2 4.2Å; D497-Y566 WeakPolarHBondContact CB-OH 3.36Å; D497-Y566 WeakPolarHBondContact OD2-CE1 3.4Å; D497-Y566 PolarHBondContact OD2-OH 2.97Å; E554-Y566 HydrophobicContact CG-CD1 4.45Å; E554-Y566 HydrophobicContact CG-CG 4.38Å; C557-Y566 HydrophobicContact CB-CD2 3.76Å; C557-Y566 HydrophobicContact CB-CE2 3.71Å; C557-Y566 WeakPolarHBondContact SG-CE2 3.41Å; D564-Y566 PolarHBondContact O-N 2.91Å; Y566-T568 PolarHBondContact O-N 3.15Å
567	C	59	Low	75.5	Confident	117 Å²	117	56 Å²	56	79%	0.791	32%	0.319	S	S	*	.			trans	-51.9	111.3	-175.5	-60.4	0	0	0	0	111.6
568	T	59.3	Low	75.6	Confident	85 Å²	85	57 Å²	57	52%	0.521	32%	0.324	S	S	.	.			trans	-58.2	143.6	172.2	25.6	0	0	0	0	109.9	D564 Y566 A570	D564-T568 VanDerWaalsContact OD1-CG2 3.24Å; D564-T568 WeakPolarHBondContact OD1-CG2 3.43Å; D564-T568 PolarHBondContact OD1-OG1 2.96Å; Y566-T568 PolarHBondContact O-N 3.15Å; T568-A570 PolarHBondContact O-N 3.3Å
569	P	62.2	Low	75.9	Confident	30 Å²	30	56.2 Å²	56.2	20%	0.195	32%	0.324	C	S	.	.			trans	-66.1	131.8	-171.5	29.4	-37.4	0	0	0	110.5	A571 E572 T675 Q677	P569-A571 PolarHBondContact O-N 2.83Å; P569-A571 VanDerWaalsContact O-N 3.12Å; P569-E572 HydrophobicContact CB-CG 4.14Å; P569-E572 HydrophobicContact CG-CG 3.6Å; P569-E572 WeakPolarHBondContact CG-OE1 3.23Å; P569-T675 CarbonylContact C-O 3.51Å; P569-T675 VanDerWaalsContact CA-O 3.24Å; P569-T675 WeakPolarHBondContact CA-O 3.45Å; P569-Q677 HydrophobicContact CB-CB 4.23Å
570	A	70.6	Confident	75.9	Confident	89 Å²	89	53.4 Å²	53.4	74%	0.736	32%	0.317	S	S	*	.	S	Bend	trans	-63.1	-22.3	-177.6	0	0	0	0	0	113	T568 T675	T568-A570 PolarHBondContact O-N 3.3Å; A570-T675 PolarHBondContact N-O 2.95Å
571	A	78.2	Confident	76	Confident	33 Å²	33	57.5 Å²	57.5	27%	0.273	34%	0.336	S	S	.	.			trans	-160.4	152.1	163.9	0	0	0	0	0	109.3	P569 D573 T675	P569-A571 PolarHBondContact O-N 2.83Å; P569-A571 VanDerWaalsContact O-N 3.12Å; A571-D573 HydrophobicContact CB-CB 4.38Å; A571-D573 VanDerWaalsContact CB-OD2 3.23Å; A571-D573 WeakPolarHBondContact CB-OD2 3.27Å; A571-T675 HydrophobicContact CB-CG2 4.06Å; A571-T675 WeakPolarHBondContact O-CB 3.41Å; A571-T675 PolarHBondContact O-OG1 2.74Å
572	E	79.8	Confident	76.4	Confident	114 Å²	114	58.4 Å²	58.4	53%	0.533	36%	0.356	S	S	.	.			trans	-107.4	80.1	168.5	-59.5	-151.9	129.2	0	0	109	R558 P569 Q677	R558-E572 IonicContact CZ-OE1 2.69Å; R558-E572 IonicContact NH1-OE1 3.74Å; R558-E572 PolarHBondContact NH1-OE1 2.95Å; R558-E572 IonicContact NH2-OE1 3.49Å; R558-E572 PolarHBondContact NH2-OE1 3Å; R558-E572 VanDerWaalsContact NH2-OE1 3.11Å; P569-E572 HydrophobicContact CB-CG 4.14Å; P569-E572 HydrophobicContact CG-CG 3.6Å; P569-E572 WeakPolarHBondContact CG-OE1 3.23Å; E572-Q677 HydrophobicContact CB-CG 4.37Å; E572-Q677 HydrophobicContact CG-CG 4.19Å
573	D	85.5	Confident	76.7	Confident	17 Å²	17	61 Å²	61	9%	0.091	37%	0.368	C	S	.	.			trans	-119.1	-3.5	-168.8	54.2	31.4	0	0	0	114.7	A571 Q600 S601 R605 Q677	A571-D573 HydrophobicContact CB-CB 4.38Å; A571-D573 VanDerWaalsContact CB-OD2 3.23Å; A571-D573 WeakPolarHBondContact CB-OD2 3.27Å; D573-Q600 WeakPolarHBondContact O-CB 3.46Å; D573-Q600 PolarHBondContact O-N 2.86Å; D573-S601 VanDerWaalsContact OD2-CB 3.23Å; D573-S601 WeakPolarHBondContact OD2-CB 3.26Å; D573-R605 IonicContact OD1-CZ 3.52Å; D573-R605 IonicContact OD1-NE 3.98Å; D573-R605 PolarHBondContact OD1-NE 3.2Å; D573-R605 IonicContact OD1-NH2 3.94Å; D573-R605 IonicContact OD2-CZ 2.7Å; D573-R605 IonicContact OD2-NE 3.38Å; D573-R605 PolarHBondContact OD2-NE 3.46Å; D573-R605 IonicContact OD2-NH2 2.85Å; D573-R605 PolarHBondContact OD2-NH2 3.33Å; D573-Q677 VanDerWaalsContact N-OE1 3.09Å
574	V	84.5	Confident	77.5	Confident	6 Å²	6	59.3 Å²	59.3	4%	0.036	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	138.9	171.9	-178.3	0	0	0	0	110.5	V597 K598 R605 L635 V672 Q677 L679	V574-V597 HydrophobicContact CG1-CG1 3.72Å; V574-K598 VanDerWaalsContact CA-O 3.26Å; V574-K598 WeakPolarHBondContact CA-O 3.36Å; V574-R605 HydrophobicContact CG2-CB 3.97Å; V574-R605 HydrophobicContact CG2-CG 3.79Å; V574-L635 HydrophobicContact CG1-CD1 3.83Å; V574-L635 HydrophobicContact CG2-CD1 4.08Å; V574-V672 HydrophobicContact CB-CG2 3.97Å; V574-V672 HydrophobicContact CG1-CG2 4.39Å; V574-V672 HydrophobicContact CG2-CG1 4.29Å; V574-V672 HydrophobicContact CG2-CG2 3.89Å; V574-Q677 PolarHBondContact O-NE2 2.89Å; V574-Q677 PolarHBondContact O-OE1 3.35Å; V574-L679 HydrophobicContact CB-CD1 4.44Å; V574-L679 HydrophobicContact CB-CD2 4.14Å; V574-L679 HydrophobicContact CG1-CD1 3.75Å; V574-L679 HydrophobicContact CG1-CD2 4.1Å; V574-L679 WeakPolarHBondContact O-CD2 3.5Å
575	S	85.4	Confident	78.5	Confident	29 Å²	29	54.3 Å²	54.3	20%	0.203	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	152.7	167.9	75	0	0	0	0	111.7	V597 K598	S575-V597 WeakPolarHBondContact O-CA 3.41Å; S575-K598 PolarHBondContact N-O 2.81Å; S575-K598 PolarHBondContact O-N 2.87Å
576	V	83.4	Confident	79.5	Confident	17 Å²	17	59.6 Å²	59.6	10%	0.103	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	127.1	174.8	61	0	0	0	0	111.3	I595 V596 V597 L609 L668 L679 N681	V576-I595 HydrophobicContact CG2-CG2 3.98Å; V576-V596 WeakPolarHBondContact CA-O 3.34Å; V576-V597 HydrophobicContact CG2-CG2 4.31Å; V576-L609 HydrophobicContact CG2-CD1 4.16Å; V576-L668 HydrophobicContact CG2-CD1 3.97Å; V576-L679 HydrophobicContact CG1-CB 3.95Å; V576-N681 HydrophobicContact CG1-CB 4.23Å; V576-N681 PolarHBondContact O-ND2 2.8Å
577	E	87.2	Confident	80.4	Confident	71 Å²	71	59.4 Å²	59.4	33%	0.332	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	156.6	-179.1	-70.1	161.2	-150.7	0	0	108.9	V596 K598	E577-V596 HydrophobicContact CB-CB 4.38Å; E577-V596 PolarHBondContact N-O 3.28Å; E577-V596 PolarHBondContact O-N 2.63Å; E577-K598 WeakPolarHBondContact OE1-CE 3.45Å; E577-K598 IonicContact OE1-NZ 3.83Å; E577-K598 PolarHBondContact OE1-NZ 3.22Å; E577-K598 VanDerWaalsContact OE1-NZ 3.08Å; E577-K598 WeakPolarHBondContact OE2-CE 3.46Å; E577-K598 IonicContact OE2-NZ 3.8Å; E577-K598 PolarHBondContact OE2-NZ 3.07Å
578	V	85.4	Confident	81.8	Confident	21 Å²	21	54.4 Å²	54.4	13%	0.127	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	122	168.6	-175.8	0	0	0	0	108.4	L593 I595 L666 L668 T683	V578-L593 HydrophobicContact CG1-CB 4.1Å; V578-L593 HydrophobicContact CG1-CD1 4.21Å; V578-I595 HydrophobicContact CG2-CG1 4.46Å; V578-L666 HydrophobicContact CG1-CD2 4.19Å; V578-L666 HydrophobicContact CG2-CD2 4.18Å; V578-L668 HydrophobicContact CG2-CD1 3.62Å; V578-L668 HydrophobicContact CG2-CG 4.49Å; V578-T683 HydrophobicContact CB-CG2 3.99Å; V578-T683 WeakPolarHBondContact CB-OG1 3.45Å; V578-T683 HydrophobicContact CG1-CG2 4.12Å
579	K	88.1	Confident	83.3	Confident	72 Å²	72	54.9 Å²	54.9	31%	0.313	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	142.9	175.7	-61.2	-172.1	-174	177.2	0	110.1	S594 V596 E642	K579-S594 PolarHBondContact N-O 3.31Å; K579-S594 PolarHBondContact O-N 2.57Å; K579-V596 HydrophobicContact CD-CG2 3.74Å; K579-V596 HydrophobicContact CG-CG2 3.93Å; K579-E642 IonicContact NZ-OE1 3.27Å; K579-E642 PolarHBondContact NZ-OE1 3.14Å; K579-E642 IonicContact NZ-OE2 3.24Å; K579-E642 PolarHBondContact NZ-OE2 3.01Å
580	I	84.6	Confident	84.8	Confident	78 Å²	78	57.3 Å²	57.3	40%	0.4	33%	0.331	S	S	.	.			trans	-108.9	112.9	176.2	-54.1	-176.7	0	0	0	106.8	L593 F685	I580-L593 HydrophobicContact CB-CD2 4.48Å; I580-L593 HydrophobicContact CG1-CD2 3.92Å; I580-L593 HydrophobicContact CG2-CD2 4.43Å; I580-F685 HydrophobicContact CD1-CB 3.96Å
581	D	80.3	Confident	85.8	Confident	100 Å²	100	53.1 Å²	53.1	54%	0.535	30%	0.296	S	S	.	.			trans	-79.8	132.4	-174.1	-64.7	-64.2	0	0	0	112.6	E583 G584 S594	D581-E583 PolarHBondContact O-N 3.12Å; D581-G584 PolarHBondContact O-N 3.41Å; D581-S594 WeakPolarHBondContact OD2-CB 3.38Å; D581-S594 PolarHBondContact OD2-OG 3.46Å
582	G	82.5	Confident	86.5	Confident	86 Å²	86	57.2 Å²	57.2	89%	0.887	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	-113.3	178.1	0	0	0	0	0	113.2
583	E	78.3	Confident	87.1	Confident	97 Å²	97	51.9 Å²	51.9	45%	0.453	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-4.4	179.4	-64.3	-160.8	119.9	0	0	114.2	D581 R586 R688	D581-E583 PolarHBondContact O-N 3.12Å; E583-R586 IonicContact OE2-CZ 2.8Å; E583-R586 IonicContact OE2-NE 2.73Å; E583-R586 IonicContact OE2-NH2 3.87Å; E583-R586 PolarHBondContact OE2-NH2 3.1Å; E583-R688 WeakPolarHBondContact O-CD 3.36Å; E583-R688 PolarHBondContact O-NE 3.07Å; E583-R688 IonicContact OE1-CZ 3.52Å; E583-R688 VanDerWaalsContact OE1-CZ 3.32Å; E583-R688 IonicContact OE1-NH1 3.2Å; E583-R688 PolarHBondContact OE1-NH1 2.91Å; E583-R688 IonicContact OE1-NH2 2.68Å; E583-R688 PolarHBondContact OE1-NH2 3.39Å; E583-R688 IonicContact OE2-NH1 2.76Å; E583-R688 PolarHBondContact OE2-NH1 2.79Å
584	G	85.7	Confident	87.5	Confident	18 Å²	18	51.7 Å²	51.7	19%	0.186	28%	0.283	C	S	.	.			trans	82.5	178.6	-173.2	0	0	0	0	0	115.4	D581	D581-G584 PolarHBondContact O-N 3.41Å
585	P	90.6	Very high	87.8	Confident	10 Å²	10	51.4 Å²	51.4	7%	0.065	28%	0.281	C	S	.	.			trans	-66.8	144.4	-173.4	27.7	-35.3	0	0	0	112.1	A591 F685 L687 R688	P585-A591 HydrophobicContact CB-CB 3.7Å; P585-A591 HydrophobicContact CG-CB 4.32Å; P585-F685 HydrophobicContact CG-CD2 3.69Å; P585-F685 HydrophobicContact CG-CE2 4.03Å; P585-L687 HydrophobicContact CB-CD2 3.91Å; P585-L687 HydrophobicContact CG-CD2 4.04Å; P585-L687 WeakPolarHBondContact O-CA 3.36Å; P585-R688 PolarHBondContact O-N 2.91Å
586	R	90.2	Very high	88.1	Confident	135 Å²	135	50 Å²	50	51%	0.509	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-108	140.7	-177.9	-68	-177.8	174.7	-161.4	-2.8	111.6	E583 N589 R688	E583-R586 IonicContact OE2-CZ 2.8Å; E583-R586 IonicContact OE2-NE 2.73Å; E583-R586 IonicContact OE2-NH2 3.87Å; E583-R586 PolarHBondContact OE2-NH2 3.1Å; R586-N589 PolarHBondContact O-N 2.73Å; R586-R688 CarbonylContact C-O 3.54Å; R586-R688 WeakPolarHBondContact CA-O 3.27Å; R586-R688 HydrophobicContact CG-CB 4.17Å
587	M	88.4	Confident	88.4	Confident	22 Å²	22	49.2 Å²	49.2	11%	0.108	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	137	177	-179.8	54.3	158	0	0	110.5	N589 Y654 L658 L687 R688 T689 L716 L774	M587-N589 VanDerWaalsContact C-N 3.32Å; M587-Y654 HydrophobicContact SD-CE2 4.36Å; M587-L658 HydrophobicContact CE-CD1 3.67Å; M587-L658 HydrophobicContact SD-CD1 3.67Å; M587-L687 HydrophobicContact CB-CB 4.23Å; M587-L687 HydrophobicContact SD-CD1 4.05Å; M587-R688 PolarHBondContact N-O 3.29Å; M587-T689 HydrophobicContact CB-CG2 4.49Å; M587-L716 HydrophobicContact CE-CD2 4.17Å; M587-L716 HydrophobicContact CG-CD2 3.93Å; M587-L716 HydrophobicContact SD-CD2 4.24Å; M587-L774 HydrophobicContact CE-CD1 4.1Å; M587-L774 HydrophobicContact CG-CD1 3.63Å
588	G	87.3	Confident	88.5	Confident	12 Å²	12	47.9 Å²	47.9	12%	0.124	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.4	-16.3	-176.2	0	0	0	0	0	115.4
589	N	90.8	Very high	88.7	Confident	95 Å²	95	47.1 Å²	47.1	51%	0.508	26%	0.255	S	S	.	.	S	Bend	trans	-109	164.5	179.1	-69.2	-46.7	0	0	0	112.1	R586 M587 A591 Y654	R586-N589 PolarHBondContact O-N 2.73Å; M587-N589 VanDerWaalsContact C-N 3.32Å; N589-A591 PolarHBondContact O-N 2.84Å; N589-Y654 PolarHBondContact O-OH 3.31Å
590	D	93.4	Very high	88.6	Confident	82 Å²	82	50.7 Å²	50.7	44%	0.439	27%	0.273	S	S	.	.			trans	-61	127.6	170.7	-64.4	-13.1	0	0	0	110.2	V648 P650 Y651	D590-V648 HydrophobicContact CB-CG1 4.07Å; D590-P650 WeakPolarHBondContact OD1-CA 3.4Å; D590-Y651 PolarHBondContact OD1-N 3.31Å
591	A	92.2	Very high	88.7	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	124.6	179.9	0	0	0	0	0	109.5	P585 N589 V648 L649 Y654 F685 L687	P585-A591 HydrophobicContact CB-CB 3.7Å; P585-A591 HydrophobicContact CG-CB 4.32Å; N589-A591 PolarHBondContact O-N 2.84Å; A591-V648 WeakPolarHBondContact O-CA 3.23Å; A591-L649 HydrophobicContact CB-CB 4.36Å; A591-L649 PolarHBondContact N-O 3.31Å; A591-L649 PolarHBondContact O-N 2.6Å; A591-Y654 HydrophobicContact CB-CE1 4.31Å; A591-F685 HydrophobicContact CB-CE2 4.36Å; A591-L687 HydrophobicContact CB-CD2 4Å
592	K	93.3	Very high	88.9	Confident	119 Å²	119	46.3 Å²	46.3	52%	0.517	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	138.1	-179.2	-60.7	-164.8	172.4	-158.8	0	111	E646 W647 V648	K592-E646 IonicContact NZ-OE2 2.89Å; K592-W647 WeakPolarHBondContact CA-O 3.47Å; K592-V648 HydrophobicContact CG-CG1 4.47Å; K592-V648 HydrophobicContact CG-CG2 4.29Å
593	L	92.7	Very high	89.2	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	151.7	176.2	-62.8	175.2	0	0	0	109.5	V578 I580 W647 L666 F685	V578-L593 HydrophobicContact CG1-CB 4.1Å; V578-L593 HydrophobicContact CG1-CD1 4.21Å; I580-L593 HydrophobicContact CB-CD2 4.48Å; I580-L593 HydrophobicContact CG1-CD2 3.92Å; I580-L593 HydrophobicContact CG2-CD2 4.43Å; L593-W647 HydrophobicContact CB-CE3 3.91Å; L593-W647 HydrophobicContact CD1-CE3 3.75Å; L593-W647 HydrophobicContact CD1-CH2 4.49Å; L593-W647 HydrophobicContact CD1-CZ3 3.66Å; L593-W647 HydrophobicContact CG-CE3 3.91Å; L593-W647 HydrophobicContact CG-CZ3 4.08Å; L593-W647 PolarHBondContact N-O 2.82Å; L593-W647 PolarHBondContact O-N 2.81Å; L593-L666 HydrophobicContact CD1-CD2 3.81Å; L593-F685 HydrophobicContact CD1-CD1 3.8Å; L593-F685 HydrophobicContact CD1-CE1 3.68Å; L593-F685 HydrophobicContact CD1-CE2 4.45Å; L593-F685 HydrophobicContact CD1-CG 4.26Å; L593-F685 HydrophobicContact CD1-CZ 4.01Å
594	S	93	Very high	89.7	Confident	13 Å²	13	45.9 Å²	45.9	9%	0.091	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	101.5	179.3	-76.7	0	0	0	0	109.8	K579 D581 V596	K579-S594 PolarHBondContact N-O 3.31Å; K579-S594 PolarHBondContact O-N 2.57Å; D581-S594 WeakPolarHBondContact OD2-CB 3.38Å; D581-S594 PolarHBondContact OD2-OG 3.46Å; S594-V596 PolarHBondContact O-N 2.73Å
595	I	91.4	Very high	89.9	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	121.5	173.3	-57.6	173.3	0	0	0	107.4	V576 V578 V597 L609 I631 I644 I645 W647 L668	V576-I595 HydrophobicContact CG2-CG2 3.98Å; V578-I595 HydrophobicContact CG2-CG1 4.46Å; I595-V597 HydrophobicContact CG2-CG2 4.32Å; I595-L609 HydrophobicContact CG2-CD1 4.14Å; I595-I631 HydrophobicContact CD1-CD1 4.19Å; I595-I644 CarbonylContact O-C 3.59Å; I595-I645 HydrophobicContact CB-CB 4.3Å; I595-I645 PolarHBondContact N-O 2.96Å; I595-I645 PolarHBondContact O-N 2.82Å; I595-W647 HydrophobicContact CD1-CB 3.81Å; I595-W647 HydrophobicContact CD1-CG 4.06Å; I595-W647 HydrophobicContact CG1-CB 4.02Å; I595-L668 HydrophobicContact CD1-CD1 3.95Å; I595-L668 HydrophobicContact CD1-CD2 3.82Å; I595-L668 HydrophobicContact CG1-CD1 4.06Å; I595-L668 HydrophobicContact CG2-CD1 3.7Å
596	V	91.1	Very high	89.9	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123.4	-178.2	172.4	0	0	0	0	109.5	V576 E577 K579 S594 K598 E642 I644	V576-V596 WeakPolarHBondContact CA-O 3.34Å; E577-V596 HydrophobicContact CB-CB 4.38Å; E577-V596 PolarHBondContact N-O 3.28Å; E577-V596 PolarHBondContact O-N 2.63Å; K579-V596 HydrophobicContact CD-CG2 3.74Å; K579-V596 HydrophobicContact CG-CG2 3.93Å; S594-V596 PolarHBondContact O-N 2.73Å; V596-K598 HydrophobicContact CG1-CD 4.43Å; V596-K598 VanDerWaalsContact CG1-CE 3.44Å; V596-K598 HydrophobicContact CG1-CG 4.04Å; V596-E642 HydrophobicContact CG1-CB 3.85Å; V596-E642 HydrophobicContact CG1-CG 4.02Å; V596-I644 HydrophobicContact CG2-CG1 4.25Å
597	V	89.5	Confident	89.6	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132.9	175.9	-165.4	0	0	0	0	108.9	V574 S575 V576 I595 L609 V633 L635 K643 I645	V574-V597 HydrophobicContact CG1-CG1 3.72Å; S575-V597 WeakPolarHBondContact O-CA 3.41Å; V576-V597 HydrophobicContact CG2-CG2 4.31Å; I595-V597 HydrophobicContact CG2-CG2 4.32Å; V597-L609 HydrophobicContact CG2-CD1 3.81Å; V597-V633 HydrophobicContact CB-CG1 4.48Å; V597-V633 HydrophobicContact CG2-CG1 4.37Å; V597-L635 HydrophobicContact CB-CD2 4.09Å; V597-L635 HydrophobicContact CG1-CD1 3.68Å; V597-L635 HydrophobicContact CG1-CD2 3.93Å; V597-L635 HydrophobicContact CG1-CG 4.41Å; V597-K643 PolarHBondContact N-O 2.87Å; V597-K643 WeakPolarHBondContact O-CB 3.36Å; V597-K643 PolarHBondContact O-N 3.4Å; V597-I645 HydrophobicContact CG2-CD1 4.16Å
598	K	89.3	Confident	89.5	Confident	44 Å²	44	45.4 Å²	45.4	19%	0.191	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	140	-176.3	-50	-178.9	-160.5	-177.7	0	109.7	V574 S575 E577 V596 E642	V574-K598 VanDerWaalsContact CA-O 3.26Å; V574-K598 WeakPolarHBondContact CA-O 3.36Å; S575-K598 PolarHBondContact N-O 2.81Å; S575-K598 PolarHBondContact O-N 2.87Å; E577-K598 WeakPolarHBondContact OE1-CE 3.45Å; E577-K598 IonicContact OE1-NZ 3.83Å; E577-K598 PolarHBondContact OE1-NZ 3.22Å; E577-K598 VanDerWaalsContact OE1-NZ 3.08Å; E577-K598 WeakPolarHBondContact OE2-CE 3.46Å; E577-K598 IonicContact OE2-NZ 3.8Å; E577-K598 PolarHBondContact OE2-NZ 3.07Å; V596-K598 HydrophobicContact CG1-CD 4.43Å; V596-K598 VanDerWaalsContact CG1-CE 3.44Å; V596-K598 HydrophobicContact CG1-CG 4.04Å; K598-E642 HydrophobicContact CD-CG 4.16Å; K598-E642 WeakPolarHBondContact CE-OE1 3.22Å; K598-E642 HydrophobicContact CG-CG 4.28Å; K598-E642 IonicContact NZ-OE1 3.25Å; K598-E642 PolarHBondContact NZ-OE1 2.72Å
599	N	89.1	Confident	89.2	Confident	5 Å²	5	44.9 Å²	44.9	3%	0.027	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	110.8	174.5	175.9	22.8	0	0	0	109.7	S601 Q603 R605 L635 L636	N599-S601 VanDerWaalsContact C-N 3.3Å; N599-S601 WeakPolarHBondContact OD1-CB 3.49Å; N599-S601 PolarHBondContact OD1-N 2.96Å; N599-S601 PolarHBondContact OD1-OG 3.09Å; N599-Q603 PolarHBondContact ND2-O 3.07Å; N599-R605 WeakPolarHBondContact OD1-CG 3.41Å; N599-L635 HydrophobicContact CB-CB 3.89Å; N599-L635 HydrophobicContact CB-CD1 4.18Å; N599-L636 PolarHBondContact ND2-O 2.9Å
600	Q	86.5	Confident	88.6	Confident	146 Å²	146	41 Å²	41	68%	0.682	21%	0.212	S	C	*	.			trans	-88.3	2.7	-178.7	-54	-177.7	21.9	0	0	112.4	D573	D573-Q600 WeakPolarHBondContact O-CB 3.46Å; D573-Q600 PolarHBondContact O-N 2.86Å
601	S	86.1	Confident	88.1	Confident	12 Å²	12	37.2 Å²	37.2	8%	0.084	19%	0.192	C	C	.	.	S	Bend	trans	-97.2	155	-178.2	79	0	0	0	0	113.9	D573 N599 Q603 R605 N638	D573-S601 VanDerWaalsContact OD2-CB 3.23Å; D573-S601 WeakPolarHBondContact OD2-CB 3.26Å; N599-S601 VanDerWaalsContact C-N 3.3Å; N599-S601 WeakPolarHBondContact OD1-CB 3.49Å; N599-S601 PolarHBondContact OD1-N 2.96Å; N599-S601 PolarHBondContact OD1-OG 3.09Å; S601-Q603 PolarHBondContact O-N 2.99Å; S601-Q603 VanDerWaalsContact O-N 3.13Å; S601-Q603 PolarHBondContact OG-N 3.16Å; S601-Q603 PolarHBondContact OG-O 3.18Å; S601-R605 PolarHBondContact OG-NE 3.48Å; S601-N638 PolarHBondContact O-N 2.86Å; S601-N638 PolarHBondContact O-OD1 2.81Å
602	S	86.3	Confident	87.7	Confident	74 Å²	74	39 Å²	39	52%	0.517	20%	0.2	S	C	.	.	S	Bend	trans	-79	20.7	172.9	61	0	0	0	0	114.1	N638	S602-N638 WeakPolarHBondContact CA-OD1 3.26Å; S602-N638 WeakPolarHBondContact CB-OD1 3.37Å; S602-N638 PolarHBondContact N-OD1 2.85Å
603	Q	88.4	Confident	87.3	Confident	108 Å²	108	33.3 Å²	33.3	51%	0.505	18%	0.176	S	C	.	.	S	Bend	trans	-135.4	156.5	-178.3	-67.4	-61.8	-67	0	0	110	N599 S601	N599-Q603 PolarHBondContact ND2-O 3.07Å; S601-Q603 PolarHBondContact O-N 2.99Å; S601-Q603 VanDerWaalsContact O-N 3.13Å; S601-Q603 PolarHBondContact OG-N 3.16Å; S601-Q603 PolarHBondContact OG-O 3.18Å
604	P	88.9	Confident	86.8	Confident	66 Å²	66	33.6 Å²	33.6	43%	0.429	18%	0.178	S	C	.	.			trans	-68.1	157.9	172.3	30.6	-34.7	0	0	0	110.7	L635	P604-L635 WeakPolarHBondContact CA-O 3.42Å
605	R	89.4	Confident	86.4	Confident	27 Å²	27	33 Å²	33	10%	0.102	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	142.7	176.5	-63.1	-69.6	178.4	-110.1	7.8	110.6	D573 V574 N599 S601 L635 V672 E674	D573-R605 IonicContact OD1-CZ 3.52Å; D573-R605 IonicContact OD1-NE 3.98Å; D573-R605 PolarHBondContact OD1-NE 3.2Å; D573-R605 IonicContact OD1-NH2 3.94Å; D573-R605 IonicContact OD2-CZ 2.7Å; D573-R605 IonicContact OD2-NE 3.38Å; D573-R605 PolarHBondContact OD2-NE 3.46Å; D573-R605 IonicContact OD2-NH2 2.85Å; D573-R605 PolarHBondContact OD2-NH2 3.33Å; V574-R605 HydrophobicContact CG2-CB 3.97Å; V574-R605 HydrophobicContact CG2-CG 3.79Å; N599-R605 WeakPolarHBondContact OD1-CG 3.41Å; S601-R605 PolarHBondContact OG-NE 3.48Å; R605-L635 HydrophobicContact CB-CB 4.19Å; R605-L635 HydrophobicContact CB-CD1 4.11Å; R605-L635 PolarHBondContact N-O 3.18Å; R605-L635 PolarHBondContact O-N 3.15Å; R605-V672 HydrophobicContact CB-CG1 4.24Å; R605-V672 HydrophobicContact CG-CG1 4.41Å; R605-E674 WeakPolarHBondContact CA-OE2 3.44Å
606	Q	89.6	Confident	85.9	Confident	86 Å²	86	33.4 Å²	33.4	40%	0.402	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	138	172.6	-65.9	-173.2	-24.4	0	0	109.8	V633 E634 V672 S673 E674	Q606-V633 WeakPolarHBondContact CA-O 3.3Å; Q606-E634 HydrophobicContact CG-CG 4.23Å; Q606-E634 PolarHBondContact NE2-OE1 2.86Å; Q606-V672 CarbonylContact O-C 3.59Å; Q606-V672 WeakPolarHBondContact O-CA 3.23Å; Q606-S673 WeakPolarHBondContact O-CB 3.35Å; Q606-S673 PolarHBondContact O-N 2.68Å; Q606-S673 PolarHBondContact O-OG 3.42Å; Q606-E674 VanDerWaalsContact N-CD 3.34Å; Q606-E674 PolarHBondContact N-OE1 2.99Å; Q606-E674 PolarHBondContact N-OE2 3.45Å
607	T	83.9	Confident	85.2	Confident	4 Å²	4	34.2 Å²	34.2	3%	0.025	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	155.5	174.2	-178.4	0	0	0	0	110.4	L609 V633 R671 L679	T607-L609 HydrophobicContact CG2-CD2 4.39Å; T607-L609 HydrophobicContact CG2-CG 4.48Å; T607-V633 HydrophobicContact CG2-CB 3.88Å; T607-V633 HydrophobicContact CG2-CG2 4.45Å; T607-V633 PolarHBondContact N-O 3.11Å; T607-V633 PolarHBondContact O-N 2.94Å; T607-R671 WeakPolarHBondContact CA-O 3.4Å; T607-R671 PolarHBondContact OG1-O 2.76Å; T607-R671 VanDerWaalsContact OG1-O 3.07Å; T607-L679 HydrophobicContact CG2-CD1 4.19Å
608	T	86.3	Confident	84.3	Confident	58 Å²	58	39 Å²	39	36%	0.356	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	120	165.2	-62.2	0	0	0	0	108.1	H610 K630 I631 G670	T608-H610 PolarHBondContact O-CD2 2.86Å; T608-K630 HydrophobicContact CG2-CB 4.15Å; T608-I631 WeakPolarHBondContact CA-O 3.44Å; T608-G670 VanDerWaalsContact O-CA 3.23Å; T608-G670 WeakPolarHBondContact O-CA 3.48Å
609	L	81.1	Confident	83.2	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	117.6	174.9	-62.5	-177.7	0	0	0	110	V576 I595 V597 T607 I631 V633 S669 L679	V576-L609 HydrophobicContact CG2-CD1 4.16Å; I595-L609 HydrophobicContact CG2-CD1 4.14Å; V597-L609 HydrophobicContact CG2-CD1 3.81Å; T607-L609 HydrophobicContact CG2-CD2 4.39Å; T607-L609 HydrophobicContact CG2-CG 4.48Å; L609-I631 HydrophobicContact CB-CB 4.34Å; L609-I631 PolarHBondContact N-O 3.33Å; L609-I631 PolarHBondContact O-N 3.23Å; L609-V633 HydrophobicContact CD1-CG2 4.12Å; L609-V633 HydrophobicContact CG-CG2 4.11Å; L609-S669 CarbonylContact C-O 3.32Å; L609-S669 WeakPolarHBondContact CA-O 3.03Å; L609-L679 HydrophobicContact CD2-CD1 4.16Å
610	H	79.8	Confident	82	Confident	13 Å²	13	38.8 Å²	38.8	6%	0.06	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	114.1	171.9	-64.9	-121.7	0	0	0	108	E548 T608 K630 L668 S669	E548-H610 HydrophobicContact CG-CB 4.15Å; E548-H610 WeakPolarHBondContact CG-ND1 3.16Å; E548-H610 IonicContact OE1-CE1 2.66Å; E548-H610 PolarHBondContact OE1-CE1 3.44Å; E548-H610 IonicContact OE1-CG 2.76Å; E548-H610 IonicContact OE1-ND1 2.9Å; E548-H610 PolarHBondContact OE1-ND1 3.09Å; E548-H610 IonicContact OE2-CE1 3.69Å; E548-H610 IonicContact OE2-ND1 2.71Å; T608-H610 PolarHBondContact O-CD2 2.86Å; H610-K630 WeakPolarHBondContact CE1-CE 3.5Å; H610-K630 PolarHBondContact CE1-NZ 3.43Å; H610-K630 VanDerWaalsContact CE1-NZ 3.28Å; H610-K630 VanDerWaalsContact ND1-CE 3.34Å; H610-K630 WeakPolarHBondContact ND1-CE 3.42Å; H610-L668 WeakPolarHBondContact O-CA 3.34Å; H610-S669 PolarHBondContact N-O 3.36Å; H610-S669 PolarHBondContact O-N 3.35Å
611	S	82.8	Confident	81.3	Confident	4 Å²	4	32 Å²	32	3%	0.028	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	133.2	-179.2	176.5	0	0	0	0	109.8	K628 D629 W647 L666	S611-K628 CarbonylContact O-C 3.55Å; S611-K628 WeakPolarHBondContact O-CA 3.31Å; S611-D629 PolarHBondContact N-O 2.89Å; S611-D629 PolarHBondContact O-N 3.35Å; S611-W647 PolarHBondContact OG-NE1 2.98Å; S611-W647 VanDerWaalsContact OG-NE1 3.09Å; S611-L666 VanDerWaalsContact OG-CD1 3.26Å; S611-L666 WeakPolarHBondContact OG-CD1 3.43Å
612	Q	82.4	Confident	80.7	Confident	36 Å²	36	33.1 Å²	33.1	17%	0.168	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	126.5	169.4	176	177.3	-74.9	0	0	109	A625 K628 T667	Q612-A625 HydrophobicContact CG-CB 4.16Å; Q612-K628 HydrophobicContact CB-CG 4.37Å; Q612-K628 HydrophobicContact CG-CD 4.43Å; Q612-K628 HydrophobicContact CG-CG 4.18Å; Q612-T667 PolarHBondContact N-O 3.13Å; Q612-T667 PolarHBondContact O-N 3.22Å
613	V	85.8	Confident	80.2	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	134	171.8	56.3	0	0	0	0	110.7	A625 I626 K627 W647 L649 L664 M665 L666 F685	V613-A625 CarbonylContact O-C 3.59Å; V613-A625 WeakPolarHBondContact O-CA 3.32Å; V613-I626 HydrophobicContact CG1-CB 4.39Å; V613-I626 PolarHBondContact O-N 2.89Å; V613-K627 HydrophobicContact CG1-CB 3.85Å; V613-K627 PolarHBondContact N-O 3.27Å; V613-K627 VanDerWaalsContact N-O 3.08Å; V613-W647 HydrophobicContact CB-CH2 4.03Å; V613-W647 HydrophobicContact CB-CZ2 3.82Å; V613-W647 HydrophobicContact CG1-CH2 4.03Å; V613-W647 HydrophobicContact CG1-CZ2 3.68Å; V613-W647 HydrophobicContact CG2-CH2 4.09Å; V613-W647 HydrophobicContact CG2-CZ2 4.39Å; V613-L649 HydrophobicContact CG1-CD1 4.09Å; V613-L649 HydrophobicContact CG1-CD2 4.11Å; V613-L649 HydrophobicContact CG2-CD2 4.23Å; V613-L664 HydrophobicContact CG2-CB 4.16Å; V613-L664 HydrophobicContact CG2-CD2 3.87Å; V613-M665 WeakPolarHBondContact CA-O 3.5Å; V613-L666 HydrophobicContact CB-CD1 4.48Å; V613-F685 HydrophobicContact CG2-CE1 4.38Å; V613-F685 HydrophobicContact CG2-CZ 4.37Å
614	A	82.2	Confident	79.3	Confident	7 Å²	7	32.6 Å²	32.6	6%	0.058	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	152.8	177.6	0	0	0	0	0	111.8	L622 N624 L664 M665	A614-L622 HydrophobicContact CB-CD2 4.38Å; A614-N624 CarbonylContact C-O 3.52Å; A614-N624 WeakPolarHBondContact CA-O 3.02Å; A614-N624 WeakPolarHBondContact CB-O 3.26Å; A614-L664 CarbonylContact O-C 3.59Å; A614-L664 VanDerWaalsContact O-CA 3.28Å; A614-L664 WeakPolarHBondContact O-CA 3.42Å; A614-M665 PolarHBondContact N-O 3.1Å; A614-M665 PolarHBondContact O-N 2.87Å
615	V	85	Confident	79	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	140.7	168.6	178.7	0	0	0	0	109.4	K623 N624 I626 Q657 V659	V615-K623 HydrophobicContact CB-CB 4.27Å; V615-K623 HydrophobicContact CG1-CB 4.4Å; V615-K623 PolarHBondContact O-N 2.78Å; V615-N624 PolarHBondContact N-O 3.1Å; V615-I626 HydrophobicContact CG2-CD1 3.41Å; V615-I626 VanDerWaalsContact CG2-CD1 3.41Å; V615-I626 HydrophobicContact CG2-CG1 3.78Å; V615-Q657 HydrophobicContact CG2-CB 4.04Å; V615-V659 HydrophobicContact CG1-CB 4.42Å; V615-V659 HydrophobicContact CG1-CG1 4.23Å; V615-V659 HydrophobicContact CG1-CG2 3.69Å
616	M	81.3	Confident	78.8	Confident	9 Å²	9	31.3 Å²	31.3	4%	0.044	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	136.6	178.6	-164.8	175.3	72.5	0	0	110	P446 V621 L622 V659 A663 M665 T684	P446-M616 HydrophobicContact CB-CE 3.87Å; P446-M616 HydrophobicContact CB-SD 3.86Å; M616-V621 CarbonylContact C-O 3.53Å; M616-V621 VanDerWaalsContact CA-O 3.32Å; M616-V621 WeakPolarHBondContact CA-O 3.49Å; M616-V621 VanDerWaalsContact CG-O 3.24Å; M616-V621 WeakPolarHBondContact CG-O 3.3Å; M616-L622 HydrophobicContact CB-CD2 4.07Å; M616-L622 HydrophobicContact CG-CD2 3.93Å; M616-L622 HydrophobicContact SD-CD2 4.24Å; M616-V659 WeakPolarHBondContact O-CG2 3.5Å; M616-A663 HydrophobicContact CE-CB 4.48Å; M616-A663 PolarHBondContact N-O 2.82Å; M616-M665 HydrophobicContact SD-CB 4.49Å; M616-T684 HydrophobicContact CE-CG2 3.57Å
617	Y	76.3	Confident	78.6	Confident	16 Å²	16	29.4 Å²	29.4	6%	0.063	16%	0.155	C	C	.	.			trans	-72.5	159.6	168.4	-60	-92.7	0	0	0	109.8	D254 T619 G620 V621 K623 V659	D254-Y617 HydrophobicContact CB-CE1 4.42Å; D254-Y617 PolarHBondContact OD1-OH 3.28Å; D254-Y617 PolarHBondContact OD2-OH 3.1Å; D254-Y617 VanDerWaalsContact OD2-OH 3.1Å; Y617-T619 WeakPolarHBondContact CB-OG1 3.34Å; Y617-T619 PolarHBondContact O-N 2.58Å; Y617-T619 VanDerWaalsContact O-N 3.08Å; Y617-G620 PolarHBondContact O-N 3.2Å; Y617-V621 HydrophobicContact CD2-CB 3.97Å; Y617-V621 HydrophobicContact CD2-CG1 4.1Å; Y617-V621 WeakPolarHBondContact CD2-O 3.42Å; Y617-V621 HydrophobicContact CE2-CG1 4.44Å; Y617-V621 PolarHBondContact N-O 2.54Å; Y617-K623 HydrophobicContact CD2-CB 4.5Å; Y617-K623 HydrophobicContact CE2-CB 3.68Å; Y617-K623 HydrophobicContact CE2-CD 4.44Å; Y617-K623 HydrophobicContact CE2-CG 4.13Å; Y617-K623 VanDerWaalsContact OH-CD 3.27Å; Y617-K623 WeakPolarHBondContact OH-CD 3.45Å; Y617-K623 VanDerWaalsContact OH-CE 3.28Å; Y617-K623 WeakPolarHBondContact OH-CE 3.19Å; Y617-K623 WeakPolarHBondContact OH-CG 3.38Å; Y617-K623 PolarHBondContact OH-NZ 3.1Å; Y617-V659 HydrophobicContact CD1-CB 3.99Å; Y617-V659 HydrophobicContact CD1-CG1 4.21Å; Y617-V659 HydrophobicContact CD1-CG2 3.67Å; Y617-V659 HydrophobicContact CE1-CB 4Å; Y617-V659 HydrophobicContact CE1-CG1 3.72Å; Y617-V659 HydrophobicContact CE1-CG2 4.05Å; Y617-V659 HydrophobicContact CG-CG2 3.99Å
618	Y	69	Low	78.6	Confident	102 Å²	102	35.1 Å²	35.1	40%	0.4	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-25	177.1	81.6	-87	0	0	0	113	E247 E248 G620	E247-Y618 PolarHBondContact O-OH 2.88Å; E248-Y618 WeakPolarHBondContact CA-OH 3.25Å; Y618-G620 PolarHBondContact O-N 3.45Å
619	T	67.1	Low	78.6	Confident	35 Å²	35	34.6 Å²	34.6	22%	0.215	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-3.7	173.7	56.9	0	0	0	0	114.7	Y617 V621	Y617-T619 WeakPolarHBondContact CB-OG1 3.34Å; Y617-T619 PolarHBondContact O-N 2.58Å; Y617-T619 VanDerWaalsContact O-N 3.08Å; T619-V621 VanDerWaalsContact C-N 3.29Å; T619-V621 PolarHBondContact O-N 3.05Å; T619-V621 WeakPolarHBondContact OG1-CG2 3.22Å
620	G	64.9	Low	78.8	Confident	8 Å²	8	40.8 Å²	40.8	8%	0.082	20%	0.202	C	C	.	.	S	Bend	trans	77.8	10.4	-176.4	0	0	0	0	0	114.4	G447 G449 Y617 Y618	G447-G620 VanDerWaalsContact CA-O 3.24Å; G447-G620 WeakPolarHBondContact CA-O 3.34Å; G447-G620 PolarHBondContact N-O 3.25Å; G449-G620 PolarHBondContact N-O 3.24Å; Y617-G620 PolarHBondContact O-N 3.2Å; Y618-G620 PolarHBondContact O-N 3.45Å
621	V	70.6	Confident	79.2	Confident	5 Å²	5	41.6 Å²	41.6	3%	0.03	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-81	139.5	171.6	179	0	0	0	0	109.7	W438 A440 M616 Y617 T619	W438-V621 HydrophobicContact CH2-CG1 3.68Å; W438-V621 HydrophobicContact CZ2-CG1 3.51Å; A440-V621 HydrophobicContact CB-CG2 4.18Å; M616-V621 CarbonylContact C-O 3.53Å; M616-V621 VanDerWaalsContact CA-O 3.32Å; M616-V621 WeakPolarHBondContact CA-O 3.49Å; M616-V621 VanDerWaalsContact CG-O 3.24Å; M616-V621 WeakPolarHBondContact CG-O 3.3Å; Y617-V621 HydrophobicContact CD2-CB 3.97Å; Y617-V621 HydrophobicContact CD2-CG1 4.1Å; Y617-V621 WeakPolarHBondContact CD2-O 3.42Å; Y617-V621 HydrophobicContact CE2-CG1 4.44Å; Y617-V621 PolarHBondContact N-O 2.54Å; T619-V621 VanDerWaalsContact C-N 3.29Å; T619-V621 PolarHBondContact O-N 3.05Å; T619-V621 WeakPolarHBondContact OG1-CG2 3.22Å
622	L	74.1	Confident	79.6	Confident	34 Å²	34	46.4 Å²	46.4	18%	0.178	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	140.2	174.4	-60.1	177.4	0	0	0	111.1	G447 A614 M616 M665	G447-L622 WeakPolarHBondContact O-CD1 3.4Å; A614-L622 HydrophobicContact CB-CD2 4.38Å; M616-L622 HydrophobicContact CB-CD2 4.07Å; M616-L622 HydrophobicContact CG-CD2 3.93Å; M616-L622 HydrophobicContact SD-CD2 4.24Å; L622-M665 HydrophobicContact CD1-CE 3.82Å; L622-M665 HydrophobicContact CD2-CB 4.16Å; L622-M665 HydrophobicContact CD2-CE 3.96Å; L622-M665 HydrophobicContact CG-CE 4.46Å
623	K	74.7	Confident	80	Confident	74 Å²	74	44.8 Å²	44.8	32%	0.322	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-83.4	172.7	-167.7	177.4	-162.2	123.7	0	111.3	D254 V615 Y617 V659	D254-K623 IonicContact OD1-NZ 3.35Å; D254-K623 IonicContact OD2-NZ 2.8Å; D254-K623 PolarHBondContact OD2-NZ 3.2Å; V615-K623 HydrophobicContact CB-CB 4.27Å; V615-K623 HydrophobicContact CG1-CB 4.4Å; V615-K623 PolarHBondContact O-N 2.78Å; Y617-K623 HydrophobicContact CD2-CB 4.5Å; Y617-K623 HydrophobicContact CE2-CB 3.68Å; Y617-K623 HydrophobicContact CE2-CD 4.44Å; Y617-K623 HydrophobicContact CE2-CG 4.13Å; Y617-K623 VanDerWaalsContact OH-CD 3.27Å; Y617-K623 WeakPolarHBondContact OH-CD 3.45Å; Y617-K623 VanDerWaalsContact OH-CE 3.28Å; Y617-K623 WeakPolarHBondContact OH-CE 3.19Å; Y617-K623 WeakPolarHBondContact OH-CG 3.38Å; Y617-K623 PolarHBondContact OH-NZ 3.1Å; K623-V659 HydrophobicContact CD-CG1 3.7Å
624	N	70.9	Confident	80.2	Confident	97 Å²	97	50.8 Å²	50.8	52%	0.519	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	149.6	-175.5	-80.7	-46	0	0	0	111.5	A614 V615	A614-N624 CarbonylContact C-O 3.52Å; A614-N624 WeakPolarHBondContact CA-O 3.02Å; A614-N624 WeakPolarHBondContact CB-O 3.26Å; V615-N624 PolarHBondContact N-O 3.1Å
625	A	81.1	Confident	80.5	Confident	48 Å²	48	50.7 Å²	50.7	40%	0.397	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	120.4	170.6	0	0	0	0	0	110.5	Q612 V613	Q612-A625 HydrophobicContact CG-CB 4.16Å; V613-A625 CarbonylContact O-C 3.59Å; V613-A625 WeakPolarHBondContact O-CA 3.32Å
626	I	85.8	Confident	80.6	Confident	18 Å²	18	55.7 Å²	55.7	9%	0.092	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-41	-177.3	-63.4	156.5	0	0	0	111.6	V613 V615 L649 H653 Q657 L664	V613-I626 HydrophobicContact CG1-CB 4.39Å; V613-I626 PolarHBondContact O-N 2.89Å; V615-I626 HydrophobicContact CG2-CD1 3.41Å; V615-I626 VanDerWaalsContact CG2-CD1 3.41Å; V615-I626 HydrophobicContact CG2-CG1 3.78Å; I626-L649 HydrophobicContact CD1-CD2 4.4Å; I626-L649 HydrophobicContact CG2-CD1 3.88Å; I626-H653 HydrophobicContact CG2-CB 3.66Å; I626-Q657 HydrophobicContact CG1-CB 4.44Å; I626-L664 HydrophobicContact CD1-CD2 3.58Å
627	K	85.4	Confident	80.6	Confident	47 Å²	47	58 Å²	58	20%	0.204	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	146.5	-171.8	-167.4	-176.2	-177.7	-131.5	0	110.2	V613 D629 V648 L649	V613-K627 HydrophobicContact CG1-CB 3.85Å; V613-K627 PolarHBondContact N-O 3.27Å; V613-K627 VanDerWaalsContact N-O 3.08Å; K627-D629 WeakPolarHBondContact CD-OD2 3.41Å; K627-D629 WeakPolarHBondContact CE-OD1 3.42Å; K627-D629 VanDerWaalsContact CE-OD2 3.24Å; K627-D629 WeakPolarHBondContact CE-OD2 3.43Å; K627-D629 IonicContact NZ-OD1 2.94Å; K627-D629 PolarHBondContact NZ-OD1 3.05Å; K627-D629 IonicContact NZ-OD2 2.68Å; K627-D629 PolarHBondContact NZ-OD2 3.43Å; K627-V648 PolarHBondContact NZ-O 3.12Å; K627-L649 HydrophobicContact CB-CD1 3.95Å; K627-L649 HydrophobicContact CD-CD1 3.83Å
628	K	84.3	Confident	80.2	Confident	124 Å²	124	62.3 Å²	62.3	54%	0.539	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	136.6	166.8	-49.1	-165.1	-167.4	-156.1	0	109.6	S611 Q612	S611-K628 CarbonylContact O-C 3.55Å; S611-K628 WeakPolarHBondContact O-CA 3.31Å; Q612-K628 HydrophobicContact CB-CG 4.37Å; Q612-K628 HydrophobicContact CG-CD 4.43Å; Q612-K628 HydrophobicContact CG-CG 4.18Å
629	D	85.6	Confident	79.6	Confident	47 Å²	47	60.4 Å²	60.4	25%	0.251	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	158	178.8	-58.6	-70.2	0	0	0	110.7	S611 K627 I631	S611-D629 PolarHBondContact N-O 2.89Å; S611-D629 PolarHBondContact O-N 3.35Å; K627-D629 WeakPolarHBondContact CD-OD2 3.41Å; K627-D629 WeakPolarHBondContact CE-OD1 3.42Å; K627-D629 VanDerWaalsContact CE-OD2 3.24Å; K627-D629 WeakPolarHBondContact CE-OD2 3.43Å; K627-D629 IonicContact NZ-OD1 2.94Å; K627-D629 PolarHBondContact NZ-OD1 3.05Å; K627-D629 IonicContact NZ-OD2 2.68Å; K627-D629 PolarHBondContact NZ-OD2 3.43Å; D629-I631 HydrophobicContact CB-CG1 4.45Å
630	K	85.4	Confident	79	Confident	131 Å²	131	67 Å²	67	57%	0.57	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.3	125.7	167	-62.4	-168.5	-179.5	-164.3	0	109	E548 T608 H610	E548-K630 WeakPolarHBondContact OE1-CE 3.28Å; E548-K630 IonicContact OE1-NZ 2.62Å; E548-K630 IonicContact OE2-NZ 2.8Å; T608-K630 HydrophobicContact CG2-CB 4.15Å; H610-K630 WeakPolarHBondContact CE1-CE 3.5Å; H610-K630 PolarHBondContact CE1-NZ 3.43Å; H610-K630 VanDerWaalsContact CE1-NZ 3.28Å; H610-K630 VanDerWaalsContact ND1-CE 3.34Å; H610-K630 WeakPolarHBondContact ND1-CE 3.42Å
631	I	89.6	Confident	78.8	Confident	29 Å²	29	70.7 Å²	70.7	15%	0.149	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	105.5	-169.2	-53.6	174.9	0	0	0	108.3	I595 T608 L609 D629 V633 I645	I595-I631 HydrophobicContact CD1-CD1 4.19Å; T608-I631 WeakPolarHBondContact CA-O 3.44Å; L609-I631 HydrophobicContact CB-CB 4.34Å; L609-I631 PolarHBondContact N-O 3.33Å; L609-I631 PolarHBondContact O-N 3.23Å; D629-I631 HydrophobicContact CB-CG1 4.45Å; I631-V633 HydrophobicContact CG2-CG2 4.16Å; I631-I645 HydrophobicContact CG2-CD1 4.16Å; I631-I645 HydrophobicContact CG2-CG2 4.16Å
632	P	90.4	Very high	79	Confident	105 Å²	105	73.7 Å²	73.7	68%	0.682	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	135.2	175.1	29.8	-33.3	0	0	0	110.9
633	V	89.9	Confident	79.6	Confident	3 Å²	3	75.5 Å²	75.5	2%	0.018	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	110.1	-174.3	-168.1	0	0	0	0	111	V597 Q606 T607 L609 I631 L635 K643 I645	V597-V633 HydrophobicContact CB-CG1 4.48Å; V597-V633 HydrophobicContact CG2-CG1 4.37Å; Q606-V633 WeakPolarHBondContact CA-O 3.3Å; T607-V633 HydrophobicContact CG2-CB 3.88Å; T607-V633 HydrophobicContact CG2-CG2 4.45Å; T607-V633 PolarHBondContact N-O 3.11Å; T607-V633 PolarHBondContact O-N 2.94Å; L609-V633 HydrophobicContact CD1-CG2 4.12Å; L609-V633 HydrophobicContact CG-CG2 4.11Å; I631-V633 HydrophobicContact CG2-CG2 4.16Å; V633-L635 HydrophobicContact CG1-CD2 3.87Å; V633-L635 HydrophobicContact CG1-CG 4.2Å; V633-K643 HydrophobicContact CG1-CD 3.89Å; V633-I645 HydrophobicContact CB-CD1 4.48Å; V633-I645 HydrophobicContact CG1-CD1 4.08Å; V633-I645 HydrophobicContact CG2-CD1 3.54Å
634	E	91.1	Very high	80.4	Confident	127 Å²	127	76.7 Å²	76.7	59%	0.593	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	139.4	166.7	-50.6	-174.1	129	0	0	110.8	Q606 K643	Q606-E634 HydrophobicContact CG-CG 4.23Å; Q606-E634 PolarHBondContact NE2-OE1 2.86Å; E634-K643 VanDerWaalsContact O-CD 3.31Å; E634-K643 WeakPolarHBondContact O-CD 3.4Å; E634-K643 PolarHBondContact O-NZ 3.28Å
635	L	88.1	Confident	81.3	Confident	5 Å²	5	73.5 Å²	73.5	3%	0.026	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	137.7	-177	-55.6	165.8	0	0	0	109.4	V574 V597 N599 P604 R605 V633 K643	V574-L635 HydrophobicContact CG1-CD1 3.83Å; V574-L635 HydrophobicContact CG2-CD1 4.08Å; V597-L635 HydrophobicContact CB-CD2 4.09Å; V597-L635 HydrophobicContact CG1-CD1 3.68Å; V597-L635 HydrophobicContact CG1-CD2 3.93Å; V597-L635 HydrophobicContact CG1-CG 4.41Å; N599-L635 HydrophobicContact CB-CB 3.89Å; N599-L635 HydrophobicContact CB-CD1 4.18Å; P604-L635 WeakPolarHBondContact CA-O 3.42Å; R605-L635 HydrophobicContact CB-CB 4.19Å; R605-L635 HydrophobicContact CB-CD1 4.11Å; R605-L635 PolarHBondContact N-O 3.18Å; R605-L635 PolarHBondContact O-N 3.15Å; V633-L635 HydrophobicContact CG1-CD2 3.87Å; V633-L635 HydrophobicContact CG1-CG 4.2Å; L635-K643 HydrophobicContact CD2-CB 3.8Å; L635-K643 HydrophobicContact CD2-CD 3.73Å; L635-K643 HydrophobicContact CD2-CG 4.36Å
636	L	86.3	Confident	81.9	Confident	105 Å²	105	78.2 Å²	78.2	55%	0.55	40%	0.397	S	S	.	.			trans	-90.7	163	-178.7	-55.1	174.4	0	0	0	112	N599 E639	N599-L636 PolarHBondContact ND2-O 2.9Å; L636-E639 HydrophobicContact CB-CG 3.92Å; L636-E639 WeakPolarHBondContact CB-OE2 3.45Å; L636-E639 PolarHBondContact N-OE2 2.69Å
637	P	82.6	Confident	82.3	Confident	58 Å²	58	77.6 Å²	77.6	38%	0.377	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	140.6	176.3	-22.8	32.9	0	0	0	114.2	E639	P637-E639 PolarHBondContact O-N 3.25Å; P637-E639 VanDerWaalsContact O-N 3.15Å
638	N	67.2	Low	82.7	Confident	107 Å²	107	77.5 Å²	77.5	57%	0.572	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	35	171.1	-61.5	-36.9	0	0	0	114.3	S601 S602 D640	S601-N638 PolarHBondContact O-N 2.86Å; S601-N638 PolarHBondContact O-OD1 2.81Å; S602-N638 WeakPolarHBondContact CA-OD1 3.26Å; S602-N638 WeakPolarHBondContact CB-OD1 3.37Å; S602-N638 PolarHBondContact N-OD1 2.85Å; N638-D640 PolarHBondContact O-N 2.85Å; N638-D640 VanDerWaalsContact O-N 3.17Å
639	E	56.8	Low	83.1	Confident	62 Å²	62	71.6 Å²	71.6	29%	0.29	37%	0.371	S	S	.	.			trans	-78.2	101.6	176.7	-76.5	-157.1	97.2	0	0	111.2	L636 P637 T641	L636-E639 HydrophobicContact CB-CG 3.92Å; L636-E639 WeakPolarHBondContact CB-OE2 3.45Å; L636-E639 PolarHBondContact N-OE2 2.69Å; P637-E639 PolarHBondContact O-N 3.25Å; P637-E639 VanDerWaalsContact O-N 3.15Å; E639-T641 WeakPolarHBondContact CB-OG1 3.47Å; E639-T641 WeakPolarHBondContact CG-OG1 3.4Å; E639-T641 PolarHBondContact O-N 2.88Å; E639-T641 WeakPolarHBondContact OE1-CB 3.36Å; E639-T641 PolarHBondContact OE1-OG1 3.25Å
640	D	55.2	Low	83.5	Confident	172 Å²	172	71.1 Å²	71.1	92%	0.92	37%	0.371	S	S	*	.			trans	-57	-17.5	153.6	-71.9	-45.1	0	0	0	111.3	N638 E642	N638-D640 PolarHBondContact O-N 2.85Å; N638-D640 VanDerWaalsContact O-N 3.17Å; D640-E642 PolarHBondContact O-N 2.68Å
641	T	60.7	Low	83.7	Confident	86 Å²	86	65.6 Å²	65.6	53%	0.528	35%	0.346	S	S	.	.	S	Bend	trans	-69.9	104.3	169.6	9.9	0	0	0	0	111.9	E639 K643	E639-T641 WeakPolarHBondContact CB-OG1 3.47Å; E639-T641 WeakPolarHBondContact CG-OG1 3.4Å; E639-T641 PolarHBondContact O-N 2.88Å; E639-T641 WeakPolarHBondContact OE1-CB 3.36Å; E639-T641 PolarHBondContact OE1-OG1 3.25Å; T641-K643 PolarHBondContact O-N 2.91Å
642	E	74.4	Confident	83.8	Confident	68 Å²	68	71.7 Å²	71.7	32%	0.318	37%	0.374	S	S	.	.			trans	-54.4	120.5	165.6	-66.3	-168.5	150.5	0	0	111.1	K579 V596 K598 D640 I644	K579-E642 IonicContact NZ-OE1 3.27Å; K579-E642 PolarHBondContact NZ-OE1 3.14Å; K579-E642 IonicContact NZ-OE2 3.24Å; K579-E642 PolarHBondContact NZ-OE2 3.01Å; V596-E642 HydrophobicContact CG1-CB 3.85Å; V596-E642 HydrophobicContact CG1-CG 4.02Å; K598-E642 HydrophobicContact CD-CG 4.16Å; K598-E642 WeakPolarHBondContact CE-OE1 3.22Å; K598-E642 HydrophobicContact CG-CG 4.28Å; K598-E642 IonicContact NZ-OE1 3.25Å; K598-E642 PolarHBondContact NZ-OE1 2.72Å; D640-E642 PolarHBondContact O-N 2.68Å; E642-I644 HydrophobicContact CB-CG1 4.45Å; E642-I644 PolarHBondContact O-N 2.82Å
643	K	86.9	Confident	83.7	Confident	73 Å²	73	71 Å²	71	32%	0.317	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	103.9	172	-172.6	171.5	-176.1	179.1	0	109.5	V597 V633 E634 L635 T641	V597-K643 PolarHBondContact N-O 2.87Å; V597-K643 WeakPolarHBondContact O-CB 3.36Å; V597-K643 PolarHBondContact O-N 3.4Å; V633-K643 HydrophobicContact CG1-CD 3.89Å; E634-K643 VanDerWaalsContact O-CD 3.31Å; E634-K643 WeakPolarHBondContact O-CD 3.4Å; E634-K643 PolarHBondContact O-NZ 3.28Å; L635-K643 HydrophobicContact CD2-CB 3.8Å; L635-K643 HydrophobicContact CD2-CD 3.73Å; L635-K643 HydrophobicContact CD2-CG 4.36Å; T641-K643 PolarHBondContact O-N 2.91Å
644	I	89.8	Confident	83.6	Confident	98 Å²	98	70.8 Å²	70.8	50%	0.503	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	132.6	178.1	-46.4	-174.6	0	0	0	109.9	I595 V596 E642	I595-I644 CarbonylContact O-C 3.59Å; V596-I644 HydrophobicContact CG2-CG1 4.25Å; E642-I644 HydrophobicContact CB-CG1 4.45Å; E642-I644 PolarHBondContact O-N 2.82Å
645	I	91.7	Very high	83.4	Confident	30 Å²	30	67.3 Å²	67.3	15%	0.154	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	116.1	175.8	-54.2	170.5	0	0	0	107.7	I595 V597 I631 V633 W647	I595-I645 HydrophobicContact CB-CB 4.3Å; I595-I645 PolarHBondContact N-O 2.96Å; I595-I645 PolarHBondContact O-N 2.82Å; V597-I645 HydrophobicContact CG2-CD1 4.16Å; I631-I645 HydrophobicContact CG2-CD1 4.16Å; I631-I645 HydrophobicContact CG2-CG2 4.16Å; V633-I645 HydrophobicContact CB-CD1 4.48Å; V633-I645 HydrophobicContact CG1-CD1 4.08Å; V633-I645 HydrophobicContact CG2-CD1 3.54Å; I645-W647 PolarHBondContact O-N 3.45Å; I645-W647 VanDerWaalsContact O-N 3.16Å
646	E	92.6	Very high	83.2	Confident	147 Å²	147	73 Å²	73	69%	0.687	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	109.6	171.9	-72.9	-168.3	-151.5	0	0	110	K592	K592-E646 IonicContact NZ-OE2 2.89Å
647	W	93.6	Very high	83	Confident	6 Å²	6	71 Å²	71	2%	0.023	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	131.6	171.2	-179.7	92.6	0	0	0	109.9	K592 L593 I595 S611 V613 I645 L649 L666 F685	K592-W647 WeakPolarHBondContact CA-O 3.47Å; L593-W647 HydrophobicContact CB-CE3 3.91Å; L593-W647 HydrophobicContact CD1-CE3 3.75Å; L593-W647 HydrophobicContact CD1-CH2 4.49Å; L593-W647 HydrophobicContact CD1-CZ3 3.66Å; L593-W647 HydrophobicContact CG-CE3 3.91Å; L593-W647 HydrophobicContact CG-CZ3 4.08Å; L593-W647 PolarHBondContact N-O 2.82Å; L593-W647 PolarHBondContact O-N 2.81Å; I595-W647 HydrophobicContact CD1-CB 3.81Å; I595-W647 HydrophobicContact CD1-CG 4.06Å; I595-W647 HydrophobicContact CG1-CB 4.02Å; S611-W647 PolarHBondContact OG-NE1 2.98Å; S611-W647 VanDerWaalsContact OG-NE1 3.09Å; V613-W647 HydrophobicContact CB-CH2 4.03Å; V613-W647 HydrophobicContact CB-CZ2 3.82Å; V613-W647 HydrophobicContact CG1-CH2 4.03Å; V613-W647 HydrophobicContact CG1-CZ2 3.68Å; V613-W647 HydrophobicContact CG2-CH2 4.09Å; V613-W647 HydrophobicContact CG2-CZ2 4.39Å; I645-W647 PolarHBondContact O-N 3.45Å; I645-W647 VanDerWaalsContact O-N 3.16Å; W647-L649 HydrophobicContact CH2-CB 3.47Å; W647-L649 VanDerWaalsContact CH2-CB 3.47Å; W647-L649 HydrophobicContact CH2-CD2 4.06Å; W647-L649 HydrophobicContact CH2-CG 4.3Å; W647-L649 HydrophobicContact CZ2-CB 4.07Å; W647-L649 HydrophobicContact CZ3-CB 3.71Å; W647-L666 HydrophobicContact CD2-CD2 4.37Å; W647-L666 HydrophobicContact CZ2-CD1 3.97Å; W647-F685 HydrophobicContact CH2-CZ 4.14Å; W647-F685 HydrophobicContact CZ3-CZ 4.11Å
648	V	93.8	Very high	83	Confident	44 Å²	44	70.1 Å²	70.1	27%	0.267	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	127.4	-177.6	-170.9	0	0	0	0	111.1	D590 A591 K592 K627	D590-V648 HydrophobicContact CB-CG1 4.07Å; A591-V648 WeakPolarHBondContact O-CA 3.23Å; K592-V648 HydrophobicContact CG-CG1 4.47Å; K592-V648 HydrophobicContact CG-CG2 4.29Å; K627-V648 PolarHBondContact NZ-O 3.12Å
649	L	93.6	Very high	83.4	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	103.8	169	175.7	68.9	0	0	0	109.2	A591 V613 I626 K627 W647 H653 Y654 L664	A591-L649 HydrophobicContact CB-CB 4.36Å; A591-L649 PolarHBondContact N-O 3.31Å; A591-L649 PolarHBondContact O-N 2.6Å; V613-L649 HydrophobicContact CG1-CD1 4.09Å; V613-L649 HydrophobicContact CG1-CD2 4.11Å; V613-L649 HydrophobicContact CG2-CD2 4.23Å; I626-L649 HydrophobicContact CD1-CD2 4.4Å; I626-L649 HydrophobicContact CG2-CD1 3.88Å; K627-L649 HydrophobicContact CB-CD1 3.95Å; K627-L649 HydrophobicContact CD-CD1 3.83Å; W647-L649 HydrophobicContact CH2-CB 3.47Å; W647-L649 VanDerWaalsContact CH2-CB 3.47Å; W647-L649 HydrophobicContact CH2-CD2 4.06Å; W647-L649 HydrophobicContact CH2-CG 4.3Å; W647-L649 HydrophobicContact CZ2-CB 4.07Å; W647-L649 HydrophobicContact CZ3-CB 3.71Å; L649-H653 HydrophobicContact CD1-CB 4.04Å; L649-Y654 HydrophobicContact CD2-CD1 3.94Å; L649-Y654 HydrophobicContact CG-CD1 4.05Å; L649-L664 HydrophobicContact CD2-CD2 3.83Å
650	P	93.8	Very high	83.8	Confident	37 Å²	37	66.4 Å²	66.4	24%	0.24	34%	0.337	C	S	.	.			trans	-66.6	145.6	-176.9	-20.1	30.5	0	0	0	113.4	D590 Q652 H653	D590-P650 WeakPolarHBondContact OD1-CA 3.4Å; P650-Q652 PolarHBondContact O-N 2.76Å; P650-H653 PolarHBondContact O-N 3.37Å
651	Y	90.2	Very high	84.7	Confident	16 Å²	16	62.5 Å²	62.5	6%	0.063	31%	0.313	C	S	.	.	H	α-helix	trans	-49	-39.4	-178.3	173.1	-112.4	0	0	0	112.5	D590 H653 Y654 Q655 L716 R718	D590-Y651 PolarHBondContact OD1-N 3.31Å; Y651-H653 PolarHBondContact O-N 3.04Å; Y651-H653 VanDerWaalsContact O-N 3.12Å; Y651-Y654 HydrophobicContact CD2-CD2 4.4Å; Y651-Y654 HydrophobicContact CD2-CE1 4.39Å; Y651-Y654 AromaticContact CD2-CE2 3.63Å; Y651-Y654 HydrophobicContact CD2-CE2 3.63Å; Y651-Y654 AromaticContact CD2-CZ 3.64Å; Y651-Y654 HydrophobicContact CE2-CE2 4.08Å; Y651-Y654 PolarHBondContact O-N 2.77Å; Y651-Y654 VanDerWaalsContact O-N 3.17Å; Y651-Q655 HydrophobicContact CD1-CB 4.19Å; Y651-Q655 HydrophobicContact CD2-CB 3.98Å; Y651-Q655 HydrophobicContact CE1-CB 3.76Å; Y651-Q655 HydrophobicContact CE1-CG 4.45Å; Y651-Q655 HydrophobicContact CE2-CB 3.53Å; Y651-Q655 HydrophobicContact CG-CB 4.3Å; Y651-Q655 VanDerWaalsContact CZ-CB 3.4Å; Y651-Q655 VanDerWaalsContact O-CB 3.27Å; Y651-Q655 WeakPolarHBondContact O-CB 3.5Å; Y651-Q655 WeakPolarHBondContact O-CG 3.32Å; Y651-Q655 PolarHBondContact O-N 2.87Å; Y651-L716 HydrophobicContact CE2-CD2 4.33Å; Y651-R718 PolarHBondContact OH-NE 3.4Å
652	Q	90.3	Very high	85.7	Confident	156 Å²	156	58.9 Å²	58.9	73%	0.729	29%	0.292	S	S	*	.	H	α-helix	trans	-58.1	-28.7	-176.6	-60.7	-174.5	14.7	0	0	114.3	P650 Q655	P650-Q652 PolarHBondContact O-N 2.76Å; Q652-Q655 PolarHBondContact O-NE2 2.65Å
653	H	88.5	Confident	86.1	Confident	90 Å²	90	56 Å²	56	42%	0.417	28%	0.281	S	S	.	.	H	α-helix	trans	-77.4	-39.1	179.1	-68.3	-94.2	0	0	0	112.7	I626 L649 P650 Y651 Q657	I626-H653 HydrophobicContact CG2-CB 3.66Å; L649-H653 HydrophobicContact CD1-CB 4.04Å; P650-H653 PolarHBondContact O-N 3.37Å; Y651-H653 PolarHBondContact O-N 3.04Å; Y651-H653 VanDerWaalsContact O-N 3.12Å; H653-Q657 PolarHBondContact O-NE2 2.82Å
654	Y	88.7	Confident	86	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-98.7	-21.4	-171.3	73.4	-112.4	0	0	0	114.1	M587 N589 A591 L649 Y651 N656 Q657 L658 L687	M587-Y654 HydrophobicContact SD-CE2 4.36Å; N589-Y654 PolarHBondContact O-OH 3.31Å; A591-Y654 HydrophobicContact CB-CE1 4.31Å; L649-Y654 HydrophobicContact CD2-CD1 3.94Å; L649-Y654 HydrophobicContact CG-CD1 4.05Å; Y651-Y654 HydrophobicContact CD2-CD2 4.4Å; Y651-Y654 HydrophobicContact CD2-CE1 4.39Å; Y651-Y654 AromaticContact CD2-CE2 3.63Å; Y651-Y654 HydrophobicContact CD2-CE2 3.63Å; Y651-Y654 AromaticContact CD2-CZ 3.64Å; Y651-Y654 HydrophobicContact CE2-CE2 4.08Å; Y651-Y654 PolarHBondContact O-N 2.77Å; Y651-Y654 VanDerWaalsContact O-N 3.17Å; Y654-N656 PolarHBondContact O-N 2.86Å; Y654-Q657 PolarHBondContact O-N 2.89Å; Y654-L658 HydrophobicContact CD2-CD1 3.62Å; Y654-L658 HydrophobicContact CD2-CD2 3.99Å; Y654-L658 HydrophobicContact CD2-CG 3.81Å; Y654-L658 HydrophobicContact CE2-CD1 3.8Å; Y654-L658 HydrophobicContact CE2-CG 4.46Å; Y654-L658 PolarHBondContact O-N 3.38Å; Y654-L687 HydrophobicContact CD2-CD1 3.85Å; Y654-L687 HydrophobicContact CE1-CD1 4.33Å; Y654-L687 HydrophobicContact CE2-CD1 3.23Å; Y654-L687 VanDerWaalsContact CZ-CD1 3.49Å
655	Q	86.1	Confident	85.6	Confident	54 Å²	54	48.1 Å²	48.1	25%	0.252	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-16.9	-170.1	60.8	171.3	-28.3	0	0	117.8	Y651 Q652 R718	Y651-Q655 HydrophobicContact CD1-CB 4.19Å; Y651-Q655 HydrophobicContact CD2-CB 3.98Å; Y651-Q655 HydrophobicContact CE1-CB 3.76Å; Y651-Q655 HydrophobicContact CE1-CG 4.45Å; Y651-Q655 HydrophobicContact CE2-CB 3.53Å; Y651-Q655 HydrophobicContact CG-CB 4.3Å; Y651-Q655 VanDerWaalsContact CZ-CB 3.4Å; Y651-Q655 VanDerWaalsContact O-CB 3.27Å; Y651-Q655 WeakPolarHBondContact O-CB 3.5Å; Y651-Q655 WeakPolarHBondContact O-CG 3.32Å; Y651-Q655 PolarHBondContact O-N 2.87Å; Q652-Q655 PolarHBondContact O-NE2 2.65Å; Q655-R718 PolarHBondContact O-NH1 2.96Å; Q655-R718 PolarHBondContact O-NH2 2.65Å
656	N	84.1	Confident	85.1	Confident	124 Å²	124	46.7 Å²	46.7	66%	0.663	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.3	8.1	179.7	-63.6	-21	0	0	0	112.6	Y654 R718	Y654-N656 PolarHBondContact O-N 2.86Å; N656-R718 PolarHBondContact OD1-NH1 2.98Å; N656-R718 PolarHBondContact OD1-NH2 2.95Å
657	Q	82.7	Confident	84.4	Confident	64 Å²	64	40.9 Å²	40.9	30%	0.299	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-18.8	-177.3	-59.9	-165.3	61.9	0	0	113.2	V615 I626 H653 Y654	V615-Q657 HydrophobicContact CG2-CB 4.04Å; I626-Q657 HydrophobicContact CG1-CB 4.44Å; H653-Q657 PolarHBondContact O-NE2 2.82Å; Y654-Q657 PolarHBondContact O-N 2.89Å
658	L	81.4	Confident	83.5	Confident	39 Å²	39	40.7 Å²	40.7	20%	0.204	21%	0.209	C	C	.	.			trans	-58.3	149.4	-179.5	-65.3	174.2	0	0	0	112.3	M587 Y654 A662 L664 L687	M587-L658 HydrophobicContact CE-CD1 3.67Å; M587-L658 HydrophobicContact SD-CD1 3.67Å; Y654-L658 HydrophobicContact CD2-CD1 3.62Å; Y654-L658 HydrophobicContact CD2-CD2 3.99Å; Y654-L658 HydrophobicContact CD2-CG 3.81Å; Y654-L658 HydrophobicContact CE2-CD1 3.8Å; Y654-L658 HydrophobicContact CE2-CG 4.46Å; Y654-L658 PolarHBondContact O-N 3.38Å; L658-A662 HydrophobicContact CD1-CB 4.16Å; L658-A662 HydrophobicContact CD2-CB 4.25Å; L658-L664 HydrophobicContact CD2-CD1 4.13Å; L658-L687 HydrophobicContact CD1-CD1 3.75Å; L658-L687 HydrophobicContact CD2-CD1 3.95Å; L658-L687 HydrophobicContact CG-CD1 4.49Å
659	V	75.8	Confident	82.7	Confident	22 Å²	22	39.6 Å²	39.6	13%	0.133	20%	0.204	C	C	.	.			trans	-123	-171	167.8	-57.3	0	0	0	0	108.8	V615 M616 Y617 K623 A662	V615-V659 HydrophobicContact CG1-CB 4.42Å; V615-V659 HydrophobicContact CG1-CG1 4.23Å; V615-V659 HydrophobicContact CG1-CG2 3.69Å; M616-V659 WeakPolarHBondContact O-CG2 3.5Å; Y617-V659 HydrophobicContact CD1-CB 3.99Å; Y617-V659 HydrophobicContact CD1-CG1 4.21Å; Y617-V659 HydrophobicContact CD1-CG2 3.67Å; Y617-V659 HydrophobicContact CE1-CB 4Å; Y617-V659 HydrophobicContact CE1-CG1 3.72Å; Y617-V659 HydrophobicContact CE1-CG2 4.05Å; Y617-V659 HydrophobicContact CG-CG2 3.99Å; K623-V659 HydrophobicContact CD-CG1 3.7Å; V659-A662 WeakPolarHBondContact O-CA 3.3Å; V659-A662 PolarHBondContact O-N 3.03Å
660	D	67.1	Low	81.8	Confident	68 Å²	68	39.6 Å²	39.6	36%	0.364	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-56.6	143.9	-169.9	-54.1	-76.3	0	0	0	113.8	A662	D660-A662 PolarHBondContact O-N 2.75Å
661	Q	73.2	Confident	81.1	Confident	90 Å²	90	39.2 Å²	39.2	42%	0.421	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	60.5	-0.6	-169.6	-46.5	-175.5	13.6	0	0	115.4	A663	Q661-A663 VanDerWaalsContact C-N 3.33Å; Q661-A663 PolarHBondContact O-N 3.42Å
662	A	81	Confident	80.7	Confident	10 Å²	10	38.5 Å²	38.5	8%	0.083	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	50.8	47.9	179	0	0	0	0	0	113.2	L658 V659 D660 L664 R686 L687	L658-A662 HydrophobicContact CD1-CB 4.16Å; L658-A662 HydrophobicContact CD2-CB 4.25Å; V659-A662 WeakPolarHBondContact O-CA 3.3Å; V659-A662 PolarHBondContact O-N 3.03Å; D660-A662 PolarHBondContact O-N 2.75Å; A662-L664 WeakPolarHBondContact O-CD1 3.44Å; A662-R686 WeakPolarHBondContact O-CA 3.43Å; A662-L687 HydrophobicContact CB-CB 4.01Å; A662-L687 HydrophobicContact CB-CD1 4.3Å; A662-L687 HydrophobicContact CB-CG 4.39Å; A662-L687 PolarHBondContact O-N 3.05Å
663	A	83	Confident	80.3	Confident	9 Å²	9	33.8 Å²	33.8	7%	0.074	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	144.6	178.4	0	0	0	0	0	112.5	M616 Q661	M616-A663 HydrophobicContact CE-CB 4.48Å; M616-A663 PolarHBondContact N-O 2.82Å; Q661-A663 VanDerWaalsContact C-N 3.33Å; Q661-A663 PolarHBondContact O-N 3.42Å
664	L	85.1	Confident	80.2	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	147.8	179.3	-60.9	94.2	0	0	0	110.1	V613 A614 I626 L649 L658 A662 T684 F685 L687	V613-L664 HydrophobicContact CG2-CB 4.16Å; V613-L664 HydrophobicContact CG2-CD2 3.87Å; A614-L664 CarbonylContact O-C 3.59Å; A614-L664 VanDerWaalsContact O-CA 3.28Å; A614-L664 WeakPolarHBondContact O-CA 3.42Å; I626-L664 HydrophobicContact CD1-CD2 3.58Å; L649-L664 HydrophobicContact CD2-CD2 3.83Å; L658-L664 HydrophobicContact CD2-CD1 4.13Å; A662-L664 WeakPolarHBondContact O-CD1 3.44Å; L664-T684 WeakPolarHBondContact O-CA 3.49Å; L664-F685 HydrophobicContact CB-CD1 4.25Å; L664-F685 HydrophobicContact CB-CE1 3.72Å; L664-F685 HydrophobicContact CB-CE2 4.05Å; L664-F685 HydrophobicContact CB-CZ 3.62Å; L664-F685 HydrophobicContact CD1-CD2 4.42Å; L664-F685 HydrophobicContact CD1-CE2 3.91Å; L664-F685 HydrophobicContact CD1-CZ 4.25Å; L664-F685 HydrophobicContact CD2-CE2 4.41Å; L664-F685 HydrophobicContact CD2-CZ 4.04Å; L664-F685 HydrophobicContact CG-CE2 4.36Å; L664-F685 HydrophobicContact CG-CZ 4.2Å; L664-F685 PolarHBondContact N-O 2.8Å; L664-F685 PolarHBondContact O-N 2.69Å; L664-F685 VanDerWaalsContact O-O 3.07Å; L664-L687 HydrophobicContact CD1-CD1 4.28Å; L664-L687 HydrophobicContact CD1-CD2 4.37Å; L664-L687 HydrophobicContact CD1-CG 3.91Å
665	M	82.3	Confident	79.8	Confident	4 Å²	4	33.5 Å²	33.5	2%	0.02	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	122.2	170.3	-170.2	173.8	78.6	0	0	110.3	V613 A614 M616 L622 Q682	V613-M665 WeakPolarHBondContact CA-O 3.5Å; A614-M665 PolarHBondContact N-O 3.1Å; A614-M665 PolarHBondContact O-N 2.87Å; M616-M665 HydrophobicContact SD-CB 4.49Å; L622-M665 HydrophobicContact CD1-CE 3.82Å; L622-M665 HydrophobicContact CD2-CB 4.16Å; L622-M665 HydrophobicContact CD2-CE 3.96Å; L622-M665 HydrophobicContact CG-CE 4.46Å; M665-Q682 HydrophobicContact CE-CG 4.49Å; M665-Q682 HydrophobicContact SD-CB 4.34Å; M665-Q682 HydrophobicContact SD-CG 4.49Å
666	L	81.4	Confident	79.4	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	117.6	168.5	173.1	59.2	0	0	0	108.8	V578 L593 S611 V613 W647 L668 Q682 T683 F685	V578-L666 HydrophobicContact CG1-CD2 4.19Å; V578-L666 HydrophobicContact CG2-CD2 4.18Å; L593-L666 HydrophobicContact CD1-CD2 3.81Å; S611-L666 VanDerWaalsContact OG-CD1 3.26Å; S611-L666 WeakPolarHBondContact OG-CD1 3.43Å; V613-L666 HydrophobicContact CB-CD1 4.48Å; W647-L666 HydrophobicContact CD2-CD2 4.37Å; W647-L666 HydrophobicContact CZ2-CD1 3.97Å; L666-L668 HydrophobicContact CD1-CD2 3.87Å; L666-L668 HydrophobicContact CD1-CG 4.5Å; L666-L668 HydrophobicContact CD2-CD2 4.38Å; L666-L668 HydrophobicContact CG-CD2 4.14Å; L666-L668 HydrophobicContact CG-CG 4.29Å; L666-Q682 WeakPolarHBondContact O-CA 3.42Å; L666-T683 PolarHBondContact N-O 3.24Å; L666-T683 PolarHBondContact O-N 3.31Å; L666-F685 HydrophobicContact CB-CE1 4.16Å
667	T	76.5	Confident	79.1	Confident	26 Å²	26	30.8 Å²	30.8	16%	0.16	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	132.7	168	-55.2	0	0	0	0	109	Q612 N681 Q682	Q612-T667 PolarHBondContact N-O 3.13Å; Q612-T667 PolarHBondContact O-N 3.22Å; T667-N681 WeakPolarHBondContact CA-O 3.33Å; T667-Q682 HydrophobicContact CG2-CG 3.94Å
668	L	75.8	Confident	78.7	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	136.3	170.4	-57.8	179.4	0	0	0	108.8	V576 V578 I595 H610 L666 A680 N681	V576-L668 HydrophobicContact CG2-CD1 3.97Å; V578-L668 HydrophobicContact CG2-CD1 3.62Å; V578-L668 HydrophobicContact CG2-CG 4.49Å; I595-L668 HydrophobicContact CD1-CD1 3.95Å; I595-L668 HydrophobicContact CD1-CD2 3.82Å; I595-L668 HydrophobicContact CG1-CD1 4.06Å; I595-L668 HydrophobicContact CG2-CD1 3.7Å; H610-L668 WeakPolarHBondContact O-CA 3.34Å; L666-L668 HydrophobicContact CD1-CD2 3.87Å; L666-L668 HydrophobicContact CD1-CG 4.5Å; L666-L668 HydrophobicContact CD2-CD2 4.38Å; L666-L668 HydrophobicContact CG-CD2 4.14Å; L666-L668 HydrophobicContact CG-CG 4.29Å; L668-A680 WeakPolarHBondContact O-CA 3.19Å; L668-N681 HydrophobicContact CB-CB 4.36Å; L668-N681 PolarHBondContact N-O 3.33Å; L668-N681 PolarHBondContact O-N 3.24Å
669	S	76.3	Confident	78.2	Confident	22 Å²	22	27 Å²	27	15%	0.154	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	154.4	170.6	53.3	0	0	0	0	110.1	L609 H610 L679	L609-S669 CarbonylContact C-O 3.32Å; L609-S669 WeakPolarHBondContact CA-O 3.03Å; H610-S669 PolarHBondContact N-O 3.36Å; H610-S669 PolarHBondContact O-N 3.35Å; S669-L679 CarbonylContact C-O 3.56Å; S669-L679 VanDerWaalsContact CA-O 3.25Å; S669-L679 WeakPolarHBondContact CA-O 3.43Å
670	G	73.8	Confident	77.9	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.5	168	174.1	0	0	0	0	0	112.5	I551 T608 L679	I551-G670 VanDerWaalsContact CD1-CA 3.49Å; T608-G670 VanDerWaalsContact O-CA 3.23Å; T608-G670 WeakPolarHBondContact O-CA 3.48Å; G670-L679 PolarHBondContact N-O 2.77Å; G670-L679 PolarHBondContact O-N 2.86Å
671	R	79.8	Confident	78.3	Confident	29 Å²	29	27 Å²	27	11%	0.109	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	135.1	174.2	-162.9	-176.5	-66.3	107	-1.4	111.4	E547 R550 E554 T607 Q677	E547-R671 WeakPolarHBondContact OE1-CB 3.19Å; E547-R671 IonicContact OE1-CZ 3.87Å; E547-R671 IonicContact OE1-NH1 3.32Å; E547-R671 PolarHBondContact OE1-NH1 2.94Å; E547-R671 IonicContact OE2-CZ 3.38Å; E547-R671 IonicContact OE2-NH1 3.11Å; E547-R671 PolarHBondContact OE2-NH1 3.06Å; R550-R671 PolarHBondContact O-NH2 3.25Å; E554-R671 IonicContact OE1-CZ 3.07Å; E554-R671 IonicContact OE1-NE 3.93Å; E554-R671 IonicContact OE1-NH2 3.8Å; E554-R671 PolarHBondContact OE1-NH2 2.85Å; E554-R671 IonicContact OE2-CZ 4Å; E554-R671 IonicContact OE2-NE 3.39Å; E554-R671 PolarHBondContact OE2-NE 2.92Å; E554-R671 IonicContact OE2-NH2 2.93Å; E554-R671 PolarHBondContact OE2-NH2 3.47Å; T607-R671 WeakPolarHBondContact CA-O 3.4Å; T607-R671 PolarHBondContact OG1-O 2.76Å; T607-R671 VanDerWaalsContact OG1-O 3.07Å; R671-Q677 WeakPolarHBondContact CA-O 3.2Å
672	V	81.3	Confident	78.4	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	121.2	173.2	-178.6	0	0	0	0	109.4	V574 R605 Q606 E674 T675 K676 Q677 L679	V574-V672 HydrophobicContact CB-CG2 3.97Å; V574-V672 HydrophobicContact CG1-CG2 4.39Å; V574-V672 HydrophobicContact CG2-CG1 4.29Å; V574-V672 HydrophobicContact CG2-CG2 3.89Å; R605-V672 HydrophobicContact CB-CG1 4.24Å; R605-V672 HydrophobicContact CG-CG1 4.41Å; Q606-V672 CarbonylContact O-C 3.59Å; Q606-V672 WeakPolarHBondContact O-CA 3.23Å; V672-E674 VanDerWaalsContact C-N 3.35Å; V672-E674 PolarHBondContact O-N 3.11Å; V672-T675 WeakPolarHBondContact CB-OG1 3.34Å; V672-T675 VanDerWaalsContact CG1-OG1 3.29Å; V672-T675 WeakPolarHBondContact CG1-OG1 3.4Å; V672-K676 VanDerWaalsContact O-CA 3.26Å; V672-K676 WeakPolarHBondContact O-CA 3.31Å; V672-K676 PolarHBondContact O-N 3.47Å; V672-Q677 HydrophobicContact CB-CB 4.11Å; V672-Q677 HydrophobicContact CG2-CB 4.03Å; V672-Q677 PolarHBondContact N-O 3.18Å; V672-L679 HydrophobicContact CG2-CD1 3.9Å; V672-L679 HydrophobicContact CG2-CD2 4.42Å; V672-L679 HydrophobicContact CG2-CG 4.09Å
673	S	83.6	Confident	78.3	Confident	58 Å²	58	26.1 Å²	26.1	41%	0.406	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-41.5	-171.2	-69.2	0	0	0	0	113.3	Q606 K676	Q606-S673 WeakPolarHBondContact O-CB 3.35Å; Q606-S673 PolarHBondContact O-N 2.68Å; Q606-S673 PolarHBondContact O-OG 3.42Å; S673-K676 WeakPolarHBondContact O-CE 3.33Å; S673-K676 PolarHBondContact O-NZ 3.38Å
674	E	85.3	Confident	78.2	Confident	79 Å²	79	28.6 Å²	28.6	37%	0.369	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-46.8	-173.6	-57.1	78.4	-174.9	0	0	112.2	R605 Q606 V672	R605-E674 WeakPolarHBondContact CA-OE2 3.44Å; Q606-E674 VanDerWaalsContact N-CD 3.34Å; Q606-E674 PolarHBondContact N-OE1 2.99Å; Q606-E674 PolarHBondContact N-OE2 3.45Å; V672-E674 VanDerWaalsContact C-N 3.35Å; V672-E674 PolarHBondContact O-N 3.11Å
675	T	80.3	Confident	78.3	Confident	5 Å²	5	29 Å²	29	3%	0.031	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-16.6	-172.8	59.7	0	0	0	0	114	P569 A570 A571 V672 Q677	P569-T675 CarbonylContact C-O 3.51Å; P569-T675 VanDerWaalsContact CA-O 3.24Å; P569-T675 WeakPolarHBondContact CA-O 3.45Å; A570-T675 PolarHBondContact N-O 2.95Å; A571-T675 HydrophobicContact CB-CG2 4.06Å; A571-T675 WeakPolarHBondContact O-CB 3.41Å; A571-T675 PolarHBondContact O-OG1 2.74Å; V672-T675 WeakPolarHBondContact CB-OG1 3.34Å; V672-T675 VanDerWaalsContact CG1-OG1 3.29Å; V672-T675 WeakPolarHBondContact CG1-OG1 3.4Å; T675-Q677 PolarHBondContact O-N 2.93Å; T675-Q677 VanDerWaalsContact OG1-CB 3.31Å; T675-Q677 WeakPolarHBondContact OG1-CB 3.19Å; T675-Q677 PolarHBondContact OG1-N 3.37Å
676	K	78.3	Confident	78.5	Confident	105 Å²	105	35.1 Å²	35.1	46%	0.457	18%	0.184	S	C	.	.			trans	60.4	18.1	-165.9	-47.9	-51.1	-178.8	-165.1	0	114.2	V672 S673 V678	V672-K676 VanDerWaalsContact O-CA 3.26Å; V672-K676 WeakPolarHBondContact O-CA 3.31Å; V672-K676 PolarHBondContact O-N 3.47Å; S673-K676 WeakPolarHBondContact O-CE 3.33Å; S673-K676 PolarHBondContact O-NZ 3.38Å; K676-V678 PolarHBondContact O-N 2.98Å
677	Q	77.2	Confident	78.8	Confident	16 Å²	16	35.2 Å²	35.2	8%	0.075	19%	0.185	C	C	.	.			trans	-60.6	126.2	169.5	-173	-171.1	-0.1	0	0	110	P569 E572 D573 V574 R671 V672 T675 L679	P569-Q677 HydrophobicContact CB-CB 4.23Å; E572-Q677 HydrophobicContact CB-CG 4.37Å; E572-Q677 HydrophobicContact CG-CG 4.19Å; D573-Q677 VanDerWaalsContact N-OE1 3.09Å; V574-Q677 PolarHBondContact O-NE2 2.89Å; V574-Q677 PolarHBondContact O-OE1 3.35Å; R671-Q677 WeakPolarHBondContact CA-O 3.2Å; V672-Q677 HydrophobicContact CB-CB 4.11Å; V672-Q677 HydrophobicContact CG2-CB 4.03Å; V672-Q677 PolarHBondContact N-O 3.18Å; T675-Q677 PolarHBondContact O-N 2.93Å; T675-Q677 VanDerWaalsContact OG1-CB 3.31Å; T675-Q677 WeakPolarHBondContact OG1-CB 3.19Å; T675-Q677 PolarHBondContact OG1-N 3.37Å; Q677-L679 HydrophobicContact CG-CD2 4.31Å
678	V	73.4	Confident	79.3	Confident	16 Å²	16	37.9 Å²	37.9	10%	0.097	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	135.6	169.6	172.3	0	0	0	0	108.8	I551 E554 K676	I551-V678 HydrophobicContact CG1-CG1 4.43Å; I551-V678 HydrophobicContact CG2-CG1 3.7Å; E554-V678 HydrophobicContact CB-CG2 4.16Å; K676-V678 PolarHBondContact O-N 2.98Å
679	L	72.7	Confident	79.9	Confident	7 Å²	7	38.8 Å²	38.8	4%	0.037	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.2	174.3	-56.9	175.8	0	0	0	108.2	V574 V576 T607 L609 S669 G670 V672 Q677	V574-L679 HydrophobicContact CB-CD1 4.44Å; V574-L679 HydrophobicContact CB-CD2 4.14Å; V574-L679 HydrophobicContact CG1-CD1 3.75Å; V574-L679 HydrophobicContact CG1-CD2 4.1Å; V574-L679 WeakPolarHBondContact O-CD2 3.5Å; V576-L679 HydrophobicContact CG1-CB 3.95Å; T607-L679 HydrophobicContact CG2-CD1 4.19Å; L609-L679 HydrophobicContact CD2-CD1 4.16Å; S669-L679 CarbonylContact C-O 3.56Å; S669-L679 VanDerWaalsContact CA-O 3.25Å; S669-L679 WeakPolarHBondContact CA-O 3.43Å; G670-L679 PolarHBondContact N-O 2.77Å; G670-L679 PolarHBondContact O-N 2.86Å; V672-L679 HydrophobicContact CG2-CD1 3.9Å; V672-L679 HydrophobicContact CG2-CD2 4.42Å; V672-L679 HydrophobicContact CG2-CG 4.09Å; Q677-L679 HydrophobicContact CG-CD2 4.31Å
680	A	68.5	Low	80.5	Confident	54 Å²	54	39.7 Å²	39.7	45%	0.446	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	137.7	174.7	0	0	0	0	0	110.1	L668	L668-A680 WeakPolarHBondContact O-CA 3.19Å
681	N	76.3	Confident	81.3	Confident	37 Å²	37	44 Å²	44	20%	0.198	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	138.8	175	-174.5	-72.6	0	0	0	110.3	V576 T667 L668 T683	V576-N681 HydrophobicContact CG1-CB 4.23Å; V576-N681 PolarHBondContact O-ND2 2.8Å; T667-N681 WeakPolarHBondContact CA-O 3.33Å; L668-N681 HydrophobicContact CB-CB 4.36Å; L668-N681 PolarHBondContact N-O 3.33Å; L668-N681 PolarHBondContact O-N 3.24Å; N681-T683 PolarHBondContact OD1-OG1 2.71Å
682	Q	74	Confident	82	Confident	56 Å²	56	42.9 Å²	42.9	26%	0.262	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	123.6	168.8	-74.7	-179.8	-29.4	0	0	109.2	M665 L666 T667	M665-Q682 HydrophobicContact CE-CG 4.49Å; M665-Q682 HydrophobicContact SD-CB 4.34Å; M665-Q682 HydrophobicContact SD-CG 4.49Å; L666-Q682 WeakPolarHBondContact O-CA 3.42Å; T667-Q682 HydrophobicContact CG2-CG 3.94Å
683	T	79.4	Confident	82.7	Confident	25 Å²	25	49.4 Å²	49.4	15%	0.153	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	121.2	179.5	-68.6	0	0	0	0	110.1	V578 L666 N681	V578-T683 HydrophobicContact CB-CG2 3.99Å; V578-T683 WeakPolarHBondContact CB-OG1 3.45Å; V578-T683 HydrophobicContact CG1-CG2 4.12Å; L666-T683 PolarHBondContact N-O 3.24Å; L666-T683 PolarHBondContact O-N 3.31Å; N681-T683 PolarHBondContact OD1-OG1 2.71Å
684	T	81.8	Confident	83.3	Confident	61 Å²	61	47.5 Å²	47.5	37%	0.374	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	138.3	171.2	-66.7	0	0	0	0	110.1	M616 L664	M616-T684 HydrophobicContact CE-CG2 3.57Å; L664-T684 WeakPolarHBondContact O-CA 3.49Å
685	F	86.4	Confident	83.8	Confident	9 Å²	9	47.1 Å²	47.1	4%	0.039	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	163.8	171.3	67.1	-80.1	0	0	0	110.4	I580 P585 A591 L593 V613 W647 L664 L666	I580-F685 HydrophobicContact CD1-CB 3.96Å; P585-F685 HydrophobicContact CG-CD2 3.69Å; P585-F685 HydrophobicContact CG-CE2 4.03Å; A591-F685 HydrophobicContact CB-CE2 4.36Å; L593-F685 HydrophobicContact CD1-CD1 3.8Å; L593-F685 HydrophobicContact CD1-CE1 3.68Å; L593-F685 HydrophobicContact CD1-CE2 4.45Å; L593-F685 HydrophobicContact CD1-CG 4.26Å; L593-F685 HydrophobicContact CD1-CZ 4.01Å; V613-F685 HydrophobicContact CG2-CE1 4.38Å; V613-F685 HydrophobicContact CG2-CZ 4.37Å; W647-F685 HydrophobicContact CH2-CZ 4.14Å; W647-F685 HydrophobicContact CZ3-CZ 4.11Å; L664-F685 HydrophobicContact CB-CD1 4.25Å; L664-F685 HydrophobicContact CB-CE1 3.72Å; L664-F685 HydrophobicContact CB-CE2 4.05Å; L664-F685 HydrophobicContact CB-CZ 3.62Å; L664-F685 HydrophobicContact CD1-CD2 4.42Å; L664-F685 HydrophobicContact CD1-CE2 3.91Å; L664-F685 HydrophobicContact CD1-CZ 4.25Å; L664-F685 HydrophobicContact CD2-CE2 4.41Å; L664-F685 HydrophobicContact CD2-CZ 4.04Å; L664-F685 HydrophobicContact CG-CE2 4.36Å; L664-F685 HydrophobicContact CG-CZ 4.2Å; L664-F685 PolarHBondContact N-O 2.8Å; L664-F685 PolarHBondContact O-N 2.69Å; L664-F685 VanDerWaalsContact O-O 3.07Å; L666-F685 HydrophobicContact CB-CE1 4.16Å
686	R	87.2	Confident	84.5	Confident	132 Å²	132	49.1 Å²	49.1	50%	0.498	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	155.2	172.6	73.4	177.8	-175.2	92.8	-6.8	110.9	A662	A662-R686 WeakPolarHBondContact O-CA 3.43Å
687	L	88	Confident	85.2	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-79.9	126.1	169.4	-57.1	175.6	0	0	0	109.5	P585 M587 A591 Y654 L658 A662 L664 T689	P585-L687 HydrophobicContact CB-CD2 3.91Å; P585-L687 HydrophobicContact CG-CD2 4.04Å; P585-L687 WeakPolarHBondContact O-CA 3.36Å; M587-L687 HydrophobicContact CB-CB 4.23Å; M587-L687 HydrophobicContact SD-CD1 4.05Å; A591-L687 HydrophobicContact CB-CD2 4Å; Y654-L687 HydrophobicContact CD2-CD1 3.85Å; Y654-L687 HydrophobicContact CE1-CD1 4.33Å; Y654-L687 HydrophobicContact CE2-CD1 3.23Å; Y654-L687 VanDerWaalsContact CZ-CD1 3.49Å; L658-L687 HydrophobicContact CD1-CD1 3.75Å; L658-L687 HydrophobicContact CD2-CD1 3.95Å; L658-L687 HydrophobicContact CG-CD1 4.49Å; A662-L687 HydrophobicContact CB-CB 4.01Å; A662-L687 HydrophobicContact CB-CD1 4.3Å; A662-L687 HydrophobicContact CB-CG 4.39Å; A662-L687 PolarHBondContact O-N 3.05Å; L664-L687 HydrophobicContact CD1-CD1 4.28Å; L664-L687 HydrophobicContact CD1-CD2 4.37Å; L664-L687 HydrophobicContact CD1-CG 3.91Å; L687-T689 PolarHBondContact O-N 2.89Å
688	R	87.1	Confident	85.7	Confident	82 Å²	82	50 Å²	50	31%	0.309	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-73	120	171.2	-88	-168.1	175.1	-149.4	16.5	110.7	E583 P585 R586 M587	E583-R688 WeakPolarHBondContact O-CD 3.36Å; E583-R688 PolarHBondContact O-NE 3.07Å; E583-R688 IonicContact OE1-CZ 3.52Å; E583-R688 VanDerWaalsContact OE1-CZ 3.32Å; E583-R688 IonicContact OE1-NH1 3.2Å; E583-R688 PolarHBondContact OE1-NH1 2.91Å; E583-R688 IonicContact OE1-NH2 2.68Å; E583-R688 PolarHBondContact OE1-NH2 3.39Å; E583-R688 IonicContact OE2-NH1 2.76Å; E583-R688 PolarHBondContact OE2-NH1 2.79Å; P585-R688 PolarHBondContact O-N 2.91Å; R586-R688 CarbonylContact C-O 3.54Å; R586-R688 WeakPolarHBondContact CA-O 3.27Å; R586-R688 HydrophobicContact CG-CB 4.17Å; M587-R688 PolarHBondContact N-O 3.29Å
689	T	88.1	Confident	86.5	Confident	21 Å²	21	57 Å²	57	13%	0.129	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-68.3	154.9	160	43.4	0	0	0	0	110.4	M587 L687 L774 T775 Q776 V777	M587-T689 HydrophobicContact CB-CG2 4.49Å; L687-T689 PolarHBondContact O-N 2.89Å; T689-L774 HydrophobicContact CG2-CD1 4.04Å; T689-T775 WeakPolarHBondContact CG2-O 3.46Å; T689-Q776 PolarHBondContact OG1-O 2.9Å; T689-V777 HydrophobicContact CG2-CG2 4.28Å
690	P	88.1	Confident	87.4	Confident	40 Å²	40	56.9 Å²	56.9	26%	0.26	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-81.2	146.9	172.5	33.7	-34.7	0	0	0	111.2	F712 P715 V777	P690-F712 HydrophobicContact CG-CE2 4.02Å; P690-P715 HydrophobicContact CG-CB 4.04Å; P690-P715 HydrophobicContact CG-CG 3.8Å; P690-V777 WeakPolarHBondContact O-CG1 3.41Å
691	D	90.6	Very high	88.7	Confident	92 Å²	92	54.9 Å²	54.9	49%	0.492	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-82.3	154.2	178.4	-48.6	-52.7	0	0	0	112.2	H778	D691-H778 CarbonylContact C-O 3.58Å; D691-H778 VanDerWaalsContact CA-O 3.23Å; D691-H778 WeakPolarHBondContact CA-O 3.4Å; D691-H778 WeakPolarHBondContact CB-O 3.43Å
692	L	93.9	Very high	89.5	Confident	5 Å²	5	54.7 Å²	54.7	3%	0.026	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-75.1	121.7	169.8	-61.6	176.5	0	0	0	110	I694 I710 F712 F725 A767 L769 V777 H778 G779	L692-I694 PolarHBondContact O-N 2.9Å; L692-I710 HydrophobicContact CB-CG2 4.48Å; L692-F712 HydrophobicContact CD2-CB 3.65Å; L692-F712 HydrophobicContact CD2-CD2 3.7Å; L692-F712 HydrophobicContact CD2-CG 3.96Å; L692-F725 HydrophobicContact CD2-CE1 4.39Å; L692-F725 HydrophobicContact CD2-CZ 4.35Å; L692-A767 HydrophobicContact CD1-CB 3.66Å; L692-L769 HydrophobicContact CD1-CB 4.37Å; L692-L769 HydrophobicContact CD2-CB 4.27Å; L692-L769 HydrophobicContact CD2-CD1 4.34Å; L692-V777 HydrophobicContact CD2-CG1 3.72Å; L692-V777 HydrophobicContact CG-CG1 3.8Å; L692-H778 PolarHBondContact N-O 2.9Å; L692-G779 WeakPolarHBondContact O-CA 3.35Å
693	Q	96.1	Very high	90.4	Very high	136 Å²	136	54.2 Å²	54.2	64%	0.636	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	100.7	177.1	-68.6	-174.7	-7.3	0	0	110	T711	Q693-T711 PolarHBondContact N-O 2.95Å; Q693-T711 PolarHBondContact O-N 2.81Å
694	I	96.6	Very high	91.1	Very high	18 Å²	18	57.7 Å²	57.7	9%	0.092	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	118.4	176.4	-52.8	-178.5	0	0	0	108.8	L692 A708 K709 I710 L765 A767 G779 A781	L692-I694 PolarHBondContact O-N 2.9Å; I694-A708 HydrophobicContact CG2-CB 4.14Å; I694-K709 CarbonylContact C-O 3.48Å; I694-K709 WeakPolarHBondContact CA-O 3.44Å; I694-I710 HydrophobicContact CG1-CG1 4.38Å; I694-I710 HydrophobicContact CG1-CG2 4.49Å; I694-L765 HydrophobicContact CG2-CD2 3.7Å; I694-L765 HydrophobicContact CG2-CG 4.18Å; I694-A767 HydrophobicContact CD1-CB 3.75Å; I694-G779 WeakPolarHBondContact CD1-O 3.5Å; I694-A781 HydrophobicContact CB-CB 3.83Å; I694-A781 HydrophobicContact CG2-CB 3.57Å
695	T	96.3	Very high	91.6	Very high	71 Å²	71	58.7 Å²	58.7	44%	0.436	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	107.8	179.2	-54.4	0	0	0	0	110.2	L697 A708 K709	T695-L697 HydrophobicContact CG2-CD2 4.45Å; T695-A708 CarbonylContact O-C 3.47Å; T695-A708 WeakPolarHBondContact O-CA 3.36Å; T695-K709 PolarHBondContact N-O 3.09Å; T695-K709 PolarHBondContact O-N 2.84Å
696	P	93.9	Very high	92	Very high	48 Å²	48	58.8 Å²	58.8	31%	0.312	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	142.2	173.1	-22.4	34.2	0	0	0	112	M706 A781 I783	P696-M706 HydrophobicContact CB-CE 4.21Å; P696-A781 HydrophobicContact CG-CB 3.92Å; P696-I783 HydrophobicContact CB-CD1 4.23Å; P696-I783 HydrophobicContact CB-CG1 4.25Å; P696-I783 HydrophobicContact CG-CD1 3.91Å; P696-I783 HydrophobicContact CG-CG1 3.68Å
697	L	93.9	Very high	92.4	Very high	71 Å²	71	53.4 Å²	53.4	37%	0.372	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	112.5	-177.9	-58.3	-179.7	0	0	0	110.3	T695 S707 K709 T752	T695-L697 HydrophobicContact CG2-CD2 4.45Å; L697-S707 WeakPolarHBondContact CB-OG 3.43Å; L697-S707 PolarHBondContact N-O 3.07Å; L697-K709 HydrophobicContact CD1-CB 4.24Å; L697-K709 HydrophobicContact CG-CB 4.49Å; L697-T752 HydrophobicContact CD1-CG2 4.2Å
698	G	88	Confident	92.7	Very high	68 Å²	68	53.3 Å²	53.3	70%	0.701	31%	0.314	S	S	*	.	S	Bend	trans	87.6	177.5	-176.1	0	0	0	0	0	113.7
699	E	89.7	Confident	93.2	Very high	162 Å²	162	53.1 Å²	53.1	76%	0.757	32%	0.316	S	S	*	.			trans	-77.7	135.5	175.6	-65.2	-174.8	165.3	0	0	111
700	A	92.8	Very high	93.6	Very high	6 Å²	6	52.1 Å²	52.1	5%	0.05	31%	0.31	C	S	.	.			trans	-86.8	121.8	174.5	0	0	0	0	0	110.1	M706 P757 I783 V785 N786	A700-M706 HydrophobicContact CB-CE 3.89Å; A700-M706 HydrophobicContact CB-SD 3.4Å; A700-M706 WeakPolarHBondContact CB-SD 3.49Å; A700-P757 HydrophobicContact CB-CG 4.49Å; A700-I783 HydrophobicContact CB-CG2 3.43Å; A700-I783 VanDerWaalsContact CB-CG2 3.43Å; A700-V785 HydrophobicContact CB-CB 4.44Å; A700-V785 HydrophobicContact CB-CG2 4.09Å; A700-N786 PolarHBondContact O-N 2.65Å
701	V	94.5	Very high	94	Very high	12 Å²	12	51 Å²	51	7%	0.073	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-138.1	139.4	178.6	-173	0	0	0	0	109.1	G703 K704 N786 E787	V701-G703 PolarHBondContact O-N 2.76Å; V701-K704 HydrophobicContact CB-CB 4.21Å; V701-K704 HydrophobicContact CB-CD 3.84Å; V701-K704 HydrophobicContact CB-CG 4.16Å; V701-K704 HydrophobicContact CG1-CD 3.88Å; V701-K704 HydrophobicContact CG1-CG 4.31Å; V701-K704 HydrophobicContact CG2-CD 4.29Å; V701-K704 PolarHBondContact O-N 2.62Å; V701-K704 VanDerWaalsContact O-N 3.12Å; V701-N786 WeakPolarHBondContact CA-O 3.19Å; V701-N786 HydrophobicContact CG2-CB 4.34Å; V701-E787 WeakPolarHBondContact CG1-O 3.25Å
702	V	94.2	Very high	94.3	Very high	33 Å²	33	46.7 Å²	46.7	20%	0.2	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	130.4	177.6	178.1	0	0	0	0	110.6	K704 P757 P760 V785 N786 Q788	V702-K704 PolarHBondContact O-N 3.18Å; V702-P757 WeakPolarHBondContact CA-O 3.43Å; V702-P760 HydrophobicContact CG2-CB 3.82Å; V702-P760 HydrophobicContact CG2-CG 4.28Å; V702-V785 HydrophobicContact CG2-CG1 3.86Å; V702-N786 PolarHBondContact N-O 3.45Å; V702-Q788 PolarHBondContact O-NE2 2.93Å
703	G	91.8	Very high	94.4	Very high	45 Å²	45	49.4 Å²	49.4	46%	0.464	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	0.4	177.6	0	0	0	0	0	116.2	V701 P757	V701-G703 PolarHBondContact O-N 2.76Å; G703-P757 PolarHBondContact N-O 3.38Å
704	K	93.8	Very high	94.3	Very high	98 Å²	98	43 Å²	43	43%	0.426	27%	0.265	S	S	.	.	S	Bend	trans	-103.3	137.7	174.3	-57	-178.4	-165.1	155	0	109.2	V701 V702 P757 Q788	V701-K704 HydrophobicContact CB-CB 4.21Å; V701-K704 HydrophobicContact CB-CD 3.84Å; V701-K704 HydrophobicContact CB-CG 4.16Å; V701-K704 HydrophobicContact CG1-CD 3.88Å; V701-K704 HydrophobicContact CG1-CG 4.31Å; V701-K704 HydrophobicContact CG2-CD 4.29Å; V701-K704 PolarHBondContact O-N 2.62Å; V701-K704 VanDerWaalsContact O-N 3.12Å; V702-K704 PolarHBondContact O-N 3.18Å; K704-P757 VanDerWaalsContact O-CD 3.26Å; K704-P757 WeakPolarHBondContact O-CD 3.24Å; K704-Q788 PolarHBondContact NZ-OXT 3.25Å
705	A	93.1	Very high	94	Very high	83 Å²	83	43 Å²	43	69%	0.686	27%	0.267	S	S	*	.			trans	-70.4	133.5	178.4	0	0	0	0	0	111	I756	A705-I756 HydrophobicContact CB-CG1 4.08Å
706	M	93.9	Very high	93.8	Very high	10 Å²	10	39.7 Å²	39.7	5%	0.049	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	-177.7	172.3	71.1	175.5	-65.8	0	0	110.2	P696 A700 F755 P757 I783	P696-M706 HydrophobicContact CB-CE 4.21Å; A700-M706 HydrophobicContact CB-CE 3.89Å; A700-M706 HydrophobicContact CB-SD 3.4Å; A700-M706 WeakPolarHBondContact CB-SD 3.49Å; M706-F755 HydrophobicContact CE-CE2 4.16Å; M706-F755 HydrophobicContact CE-CZ 3.96Å; M706-F755 HydrophobicContact CG-CD2 3.87Å; M706-F755 HydrophobicContact CG-CE1 4.49Å; M706-F755 HydrophobicContact CG-CE2 3.5Å; M706-F755 VanDerWaalsContact CG-CE2 3.5Å; M706-F755 HydrophobicContact CG-CZ 3.84Å; M706-F755 PolarHBondContact N-O 2.82Å; M706-F755 PolarHBondContact O-N 3.47Å; M706-F755 VanDerWaalsContact O-N 3.16Å; M706-F755 HydrophobicContact SD-CD2 4.23Å; M706-F755 HydrophobicContact SD-CE2 3.39Å; M706-F755 WeakPolarHBondContact SD-CE2 3.39Å; M706-F755 HydrophobicContact SD-CZ 3.83Å; M706-P757 HydrophobicContact CG-CG 4.13Å; M706-P757 HydrophobicContact SD-CG 3.66Å; M706-I783 HydrophobicContact CE-CD1 4.15Å; M706-I783 HydrophobicContact CE-CG2 4.08Å; M706-I783 HydrophobicContact SD-CG2 4.22Å
707	S	95.4	Very high	93.5	Very high	19 Å²	19	41.6 Å²	41.6	13%	0.133	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	165.6	172.3	51.5	0	0	0	0	112.5	L697 E753	L697-S707 WeakPolarHBondContact CB-OG 3.43Å; L697-S707 PolarHBondContact N-O 3.07Å; S707-E753 CarbonylContact C-O 3.51Å; S707-E753 WeakPolarHBondContact CA-O 3.28Å; S707-E753 WeakPolarHBondContact CB-O 3.4Å
708	A	95.9	Very high	93.3	Very high	0 Å²	0	42 Å²	42	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	135	169.3	0	0	0	0	0	110.4	I694 T695 E753 F755 L765	I694-A708 HydrophobicContact CG2-CB 4.14Å; T695-A708 CarbonylContact O-C 3.47Å; T695-A708 WeakPolarHBondContact O-CA 3.36Å; A708-E753 PolarHBondContact N-O 2.93Å; A708-E753 PolarHBondContact O-N 3.07Å; A708-F755 HydrophobicContact CB-CE1 3.85Å; A708-F755 HydrophobicContact CB-CZ 4.22Å; A708-L765 HydrophobicContact CB-CD2 3.38Å
709	K	96.9	Very high	93.6	Very high	77 Å²	77	41.8 Å²	41.8	34%	0.335	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	115.3	175.2	-169.9	-164.2	-179.5	-155.9	0	109.4	I694 T695 L697 T711 T750 V751	I694-K709 CarbonylContact C-O 3.48Å; I694-K709 WeakPolarHBondContact CA-O 3.44Å; T695-K709 PolarHBondContact N-O 3.09Å; T695-K709 PolarHBondContact O-N 2.84Å; L697-K709 HydrophobicContact CD1-CB 4.24Å; L697-K709 HydrophobicContact CG-CB 4.49Å; K709-T711 WeakPolarHBondContact CE-OG1 3.44Å; K709-T750 HydrophobicContact CD-CG2 4.19Å; K709-T750 WeakPolarHBondContact CE-OG1 3.36Å; K709-T750 HydrophobicContact CG-CG2 3.86Å; K709-V751 CarbonylContact C-O 3.6Å; K709-V751 WeakPolarHBondContact CA-O 3.35Å
710	I	97	Very high	93.7	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	118.5	173.2	-53.6	178.6	0	0	0	107.7	L692 I694 F725 V727 T750 V751 E753 A767	L692-I710 HydrophobicContact CB-CG2 4.48Å; I694-I710 HydrophobicContact CG1-CG1 4.38Å; I694-I710 HydrophobicContact CG1-CG2 4.49Å; I710-F725 HydrophobicContact CB-CD2 4.5Å; I710-F725 HydrophobicContact CB-CE2 4.4Å; I710-F725 HydrophobicContact CG2-CD2 3.84Å; I710-F725 HydrophobicContact CG2-CE2 3.71Å; I710-V727 HydrophobicContact CD1-CB 4.45Å; I710-V727 HydrophobicContact CD1-CG1 3.87Å; I710-V727 HydrophobicContact CD1-CG2 3.64Å; I710-T750 WeakPolarHBondContact O-CA 3.39Å; I710-V751 PolarHBondContact N-O 3.4Å; I710-V751 PolarHBondContact O-N 3.14Å; I710-E753 HydrophobicContact CD1-CB 4.48Å; I710-E753 HydrophobicContact CD1-CG 3.74Å; I710-E753 HydrophobicContact CG1-CG 4.47Å; I710-A767 HydrophobicContact CD1-CB 4.12Å; I710-A767 HydrophobicContact CG2-CB 4.48Å
711	T	96.8	Very high	93.7	Very high	15 Å²	15	39.1 Å²	39.1	9%	0.092	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	133.8	-177.1	-51.9	0	0	0	0	110.4	Q693 K709 T748 V749	Q693-T711 PolarHBondContact N-O 2.95Å; Q693-T711 PolarHBondContact O-N 2.81Å; K709-T711 WeakPolarHBondContact CE-OG1 3.44Å; T711-T748 HydrophobicContact CG2-CG2 3.73Å; T711-V749 WeakPolarHBondContact CA-O 3.32Å
712	F	96.4	Very high	93.6	Very high	3 Å²	3	44.5 Å²	44.5	1%	0.013	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	142.4	178.6	171.6	-105.9	0	0	0	110.2	P690 L692 N714 L720 F725 T748 V749 L769 L774 V777	P690-F712 HydrophobicContact CG-CE2 4.02Å; L692-F712 HydrophobicContact CD2-CB 3.65Å; L692-F712 HydrophobicContact CD2-CD2 3.7Å; L692-F712 HydrophobicContact CD2-CG 3.96Å; F712-N714 HydrophobicContact CE1-CB 4.07Å; F712-L720 HydrophobicContact CE1-CD1 3.67Å; F712-L720 HydrophobicContact CZ-CD1 3.86Å; F712-F725 HydrophobicContact CB-CE1 4.45Å; F712-F725 HydrophobicContact CB-CZ 3.85Å; F712-T748 CarbonylContact O-C 3.59Å; F712-T748 VanDerWaalsContact O-CA 3.27Å; F712-T748 WeakPolarHBondContact O-CA 3.31Å; F712-T748 WeakPolarHBondContact O-CG2 3.47Å; F712-V749 HydrophobicContact CB-CG1 3.96Å; F712-V749 HydrophobicContact CD1-CG1 4.06Å; F712-V749 PolarHBondContact N-O 2.88Å; F712-V749 PolarHBondContact O-N 2.85Å; F712-L769 HydrophobicContact CD1-CD1 3.57Å; F712-L769 HydrophobicContact CD2-CD1 3.69Å; F712-L769 HydrophobicContact CE1-CD1 3.5Å; F712-L769 VanDerWaalsContact CE1-CD1 3.5Å; F712-L769 HydrophobicContact CE2-CD1 3.59Å; F712-L769 HydrophobicContact CG-CD1 3.67Å; F712-L769 HydrophobicContact CZ-CD1 3.5Å; F712-L774 HydrophobicContact CE2-CD2 4.19Å; F712-L774 HydrophobicContact CZ-CD2 3.69Å; F712-V777 HydrophobicContact CD2-CG1 4.03Å; F712-V777 HydrophobicContact CE2-CG1 3.87Å; F712-V777 HydrophobicContact CE2-CG2 4.31Å
713	T	95.1	Very high	93.6	Very high	62 Å²	62	43 Å²	43	38%	0.38	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	124.1	170.8	-58.6	0	0	0	0	108.9	P715 A747 T748	T713-P715 WeakPolarHBondContact O-CD 3.28Å; T713-A747 WeakPolarHBondContact CA-O 3.09Å; T713-T748 PolarHBondContact OG1-OG1 3.3Å
714	N	94.4	Very high	93.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.231	C	C	.	.			trans	-61.5	115.3	177.1	175.2	9.1	0	0	0	110	F712 L716 R718 L720 V743 G744 G745 Q746 A747	F712-N714 HydrophobicContact CE1-CB 4.07Å; N714-L716 PolarHBondContact O-N 3.43Å; N714-L716 WeakPolarHBondContact OD1-CB 3.31Å; N714-L716 PolarHBondContact OD1-N 2.66Å; N714-R718 PolarHBondContact ND2-O 2.87Å; N714-L720 HydrophobicContact CB-CD1 4.13Å; N714-L720 HydrophobicContact CB-CG 4.4Å; N714-V743 HydrophobicContact CB-CG1 4.04Å; N714-V743 PolarHBondContact ND2-O 3.08Å; N714-G744 WeakPolarHBondContact CB-O 3.47Å; N714-G744 PolarHBondContact ND2-O 2.89Å; N714-G745 WeakPolarHBondContact ND2-CA 3.32Å; N714-Q746 VanDerWaalsContact O-CA 3.29Å; N714-Q746 WeakPolarHBondContact O-CA 3.48Å; N714-Q746 PolarHBondContact O-N 3.28Å; N714-Q746 PolarHBondContact O-NE2 2.95Å; N714-A747 PolarHBondContact N-O 3.07Å
715	P	91	Very high	93.8	Very high	19 Å²	19	37.2 Å²	37.2	12%	0.123	21%	0.211	C	C	.	.			trans	-75.4	-12.6	-178	33.8	-37.5	0	0	0	112.9	P690 T713 Q746 L774	P690-P715 HydrophobicContact CG-CB 4.04Å; P690-P715 HydrophobicContact CG-CG 3.8Å; T713-P715 WeakPolarHBondContact O-CD 3.28Å; P715-Q746 PolarHBondContact O-NE2 2.84Å; P715-L774 HydrophobicContact CG-CD1 4.11Å; P715-L774 HydrophobicContact CG-CD2 3.7Å
716	L	90.8	Very high	93.8	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.01	20%	0.196	C	C	.	.	S	Bend	trans	-91.5	157.7	-175.4	-47.4	-174.2	0	0	0	111.9	M587 Y651 N714 R718 L720 G745 Q746 Q773	M587-L716 HydrophobicContact CE-CD2 4.17Å; M587-L716 HydrophobicContact CG-CD2 3.93Å; M587-L716 HydrophobicContact SD-CD2 4.24Å; Y651-L716 HydrophobicContact CE2-CD2 4.33Å; N714-L716 PolarHBondContact O-N 3.43Å; N714-L716 WeakPolarHBondContact OD1-CB 3.31Å; N714-L716 PolarHBondContact OD1-N 2.66Å; L716-R718 VanDerWaalsContact C-N 3.26Å; L716-R718 HydrophobicContact CB-CG 3.9Å; L716-R718 HydrophobicContact CD1-CG 3.84Å; L716-L720 HydrophobicContact CD1-CD2 3.77Å; L716-L720 HydrophobicContact CG-CD2 4.34Å; L716-G745 CarbonylContact O-C 3.45Å; L716-G745 WeakPolarHBondContact O-CA 3.26Å; L716-Q746 PolarHBondContact O-N 2.78Å; L716-Q746 PolarHBondContact O-NE2 3.35Å; L716-Q773 HydrophobicContact CD1-CB 4.41Å
717	S	88.8	Confident	93.9	Very high	88 Å²	88	37.7 Å²	37.7	62%	0.615	19%	0.194	S	C	*	.	S	Bend	trans	-78.5	-9.8	168.9	54.7	0	0	0	0	113.4
718	R	89.4	Confident	93.8	Very high	78 Å²	78	41.2 Å²	41.2	29%	0.294	21%	0.209	S	C	.	.	S	Bend	trans	-100.3	157	178.2	68.5	-178.4	67.9	-175.6	-4.2	112.1	Y651 Q655 N656 N714 L716	Y651-R718 PolarHBondContact OH-NE 3.4Å; Q655-R718 PolarHBondContact O-NH1 2.96Å; Q655-R718 PolarHBondContact O-NH2 2.65Å; N656-R718 PolarHBondContact OD1-NH1 2.98Å; N656-R718 PolarHBondContact OD1-NH2 2.95Å; N714-R718 PolarHBondContact ND2-O 2.87Å; L716-R718 VanDerWaalsContact C-N 3.26Å; L716-R718 HydrophobicContact CB-CG 3.9Å; L716-R718 HydrophobicContact CD1-CG 3.84Å
719	V	93.4	Very high	93.7	Very high	65 Å²	65	41.3 Å²	41.3	39%	0.394	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-66.1	128.6	172.2	-178.3	0	0	0	0	109.8	K721 D742 V743 Q773	V719-K721 HydrophobicContact CG1-CG 4.42Å; V719-D742 HydrophobicContact CG1-CB 4.02Å; V719-V743 WeakPolarHBondContact CA-O 3.42Å; V719-Q773 PolarHBondContact O-NE2 3.15Å
720	L	93.1	Very high	93.2	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	137.5	161.3	-51.1	179.7	0	0	0	107.7	F712 N714 L716 V723 D742 V743 Q773 L774	F712-L720 HydrophobicContact CE1-CD1 3.67Å; F712-L720 HydrophobicContact CZ-CD1 3.86Å; N714-L720 HydrophobicContact CB-CD1 4.13Å; N714-L720 HydrophobicContact CB-CG 4.4Å; L716-L720 HydrophobicContact CD1-CD2 3.77Å; L716-L720 HydrophobicContact CG-CD2 4.34Å; L720-V723 HydrophobicContact CB-CG2 3.5Å; L720-V723 HydrophobicContact CD1-CG2 4.44Å; L720-D742 CarbonylContact O-C 3.55Å; L720-D742 WeakPolarHBondContact O-CA 3.29Å; L720-V743 HydrophobicContact CB-CB 4.38Å; L720-V743 PolarHBondContact N-O 3.43Å; L720-V743 PolarHBondContact O-N 3.01Å; L720-Q773 HydrophobicContact CD2-CB 3.61Å; L720-L774 HydrophobicContact CD1-CB 4.4Å; L720-L774 HydrophobicContact CD1-CD2 4.04Å; L720-L774 HydrophobicContact CD2-CB 3.83Å
721	K	92.6	Very high	92.7	Very high	111 Å²	111	44.5 Å²	44.5	48%	0.483	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	151.3	-175.4	-74.3	-169.9	166.3	-162.3	0	111.2	V719 V723 D742	V719-K721 HydrophobicContact CG1-CG 4.42Å; K721-V723 PolarHBondContact O-N 3.3Å; K721-V723 VanDerWaalsContact O-N 3.09Å; K721-D742 VanDerWaalsContact CA-OD1 3.3Å; K721-D742 WeakPolarHBondContact CA-OD1 3.48Å
722	D	92.1	Very high	92.4	Very high	126 Å²	126	44 Å²	44	67%	0.674	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	51.3	36.9	171.7	-52.3	-61.7	0	0	0	112.2	V724 D742	D722-V724 PolarHBondContact O-N 3.41Å; D722-D742 PolarHBondContact N-OD1 3.17Å
723	V	94	Very high	92.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	133.4	-171.3	-178.3	0	0	0	0	110	L720 K721 F725 I740 G741 V743 L769 C771	L720-V723 HydrophobicContact CB-CG2 3.5Å; L720-V723 HydrophobicContact CD1-CG2 4.44Å; K721-V723 PolarHBondContact O-N 3.3Å; K721-V723 VanDerWaalsContact O-N 3.09Å; V723-F725 HydrophobicContact CG1-CD1 4.44Å; V723-F725 HydrophobicContact CG1-CE1 4.21Å; V723-I740 HydrophobicContact CB-CB 4.13Å; V723-I740 HydrophobicContact CG1-CB 4.24Å; V723-I740 HydrophobicContact CG1-CG1 4.3Å; V723-I740 WeakPolarHBondContact O-CA 3.37Å; V723-I740 VanDerWaalsContact O-CB 3.3Å; V723-I740 WeakPolarHBondContact O-CB 3.37Å; V723-I740 PolarHBondContact O-N 2.8Å; V723-G741 VanDerWaalsContact CB-O 3.26Å; V723-G741 WeakPolarHBondContact CB-O 3.45Å; V723-G741 WeakPolarHBondContact CG2-O 3.4Å; V723-G741 PolarHBondContact N-O 2.8Å; V723-G741 PolarHBondContact O-N 2.99Å; V723-G741 VanDerWaalsContact O-N 3.11Å; V723-V743 HydrophobicContact CB-CG2 4.16Å; V723-V743 HydrophobicContact CG1-CG2 4.47Å; V723-V743 HydrophobicContact CG2-CB 4.34Å; V723-V743 HydrophobicContact CG2-CG2 3.9Å; V723-L769 HydrophobicContact CG1-CD1 4.06Å; V723-L769 HydrophobicContact CG1-CD2 3.89Å; V723-L769 HydrophobicContact CG1-CG 3.71Å; V723-C771 HydrophobicContact CG2-CB 3.93Å
724	V	93.6	Very high	91.7	Very high	22 Å²	22	51.4 Å²	51.4	13%	0.133	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	137.6	176	178.3	0	0	0	0	109.2	D722 E737 V739 L769 D770	D722-V724 PolarHBondContact O-N 3.41Å; V724-E737 HydrophobicContact CG1-CB 3.82Å; V724-E737 HydrophobicContact CG1-CG 4.24Å; V724-V739 HydrophobicContact CG2-CG2 4.45Å; V724-L769 WeakPolarHBondContact O-CA 3.41Å; V724-D770 PolarHBondContact N-O 2.72Å; V724-D770 PolarHBondContact O-N 3.42Å
725	F	95.1	Very high	91.5	Very high	1 Å²	1	53.6 Å²	53.6	0%	0.004	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	134.9	163.7	-66	-4.3	0	0	0	109.4	L692 I710 F712 V723 V727 E737 V738 I740 V749 V751 S768 L769	L692-F725 HydrophobicContact CD2-CE1 4.39Å; L692-F725 HydrophobicContact CD2-CZ 4.35Å; I710-F725 HydrophobicContact CB-CD2 4.5Å; I710-F725 HydrophobicContact CB-CE2 4.4Å; I710-F725 HydrophobicContact CG2-CD2 3.84Å; I710-F725 HydrophobicContact CG2-CE2 3.71Å; F712-F725 HydrophobicContact CB-CE1 4.45Å; F712-F725 HydrophobicContact CB-CZ 3.85Å; V723-F725 HydrophobicContact CG1-CD1 4.44Å; V723-F725 HydrophobicContact CG1-CE1 4.21Å; F725-V727 HydrophobicContact CB-CG2 4.23Å; F725-E737 CarbonylContact O-C 3.52Å; F725-E737 WeakPolarHBondContact O-CA 3.31Å; F725-V738 HydrophobicContact CB-CB 4.4Å; F725-V738 PolarHBondContact N-O 3.48Å; F725-V738 PolarHBondContact O-N 2.77Å; F725-I740 HydrophobicContact CD1-CD1 4.33Å; F725-I740 HydrophobicContact CD1-CG1 3.84Å; F725-I740 HydrophobicContact CD2-CD1 3.92Å; F725-I740 HydrophobicContact CD2-CG1 4.34Å; F725-I740 HydrophobicContact CE1-CD1 4.43Å; F725-I740 HydrophobicContact CE1-CG1 3.91Å; F725-I740 HydrophobicContact CE2-CD1 4.06Å; F725-I740 HydrophobicContact CE2-CG1 4.42Å; F725-I740 HydrophobicContact CG-CD1 4.06Å; F725-I740 HydrophobicContact CG-CG1 4.05Å; F725-I740 HydrophobicContact CZ-CD1 4.31Å; F725-I740 HydrophobicContact CZ-CG1 4.22Å; F725-V749 HydrophobicContact CZ-CG1 3.84Å; F725-V751 HydrophobicContact CD2-CG2 4.39Å; F725-V751 HydrophobicContact CE2-CG2 4.18Å; F725-S768 CarbonylContact C-O 3.59Å; F725-S768 VanDerWaalsContact CA-O 3.26Å; F725-S768 WeakPolarHBondContact CA-O 3.33Å; F725-L769 HydrophobicContact CD1-CB 4.04Å; F725-L769 HydrophobicContact CD1-CD1 4.35Å; F725-L769 HydrophobicContact CD1-CG 4.01Å; F725-L769 HydrophobicContact CE1-CB 4.17Å; F725-L769 HydrophobicContact CE1-CD1 3.69Å; F725-L769 HydrophobicContact CE1-CG 3.85Å
726	R	94.1	Very high	91.3	Very high	101 Å²	101	56.4 Å²	56.4	38%	0.381	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	126.1	166.8	-56.8	-167.1	172.7	94.1	19.3	108.5	H736 E737 A767 S768 D770	R726-H736 WeakPolarHBondContact CA-O 3.26Å; R726-E737 HydrophobicContact CG-CG 4.24Å; R726-E737 IonicContact CZ-OE1 3.65Å; R726-E737 IonicContact NE-OE1 3.44Å; R726-E737 PolarHBondContact NE-OE1 2.93Å; R726-E737 IonicContact NH2-OE1 2.62Å; R726-E737 PolarHBondContact NH2-OE1 3.28Å; R726-A767 CarbonylContact O-C 3.42Å; R726-A767 WeakPolarHBondContact O-CA 3.08Å; R726-S768 PolarHBondContact N-O 3.02Å; R726-S768 PolarHBondContact O-N 3.01Å; R726-D770 IonicContact CZ-OD2 3.93Å; R726-D770 IonicContact NH1-OD2 2.68Å; R726-D770 PolarHBondContact NH1-OD2 3.43Å; R726-D770 IonicContact NH2-OD2 3.69Å; R726-D770 PolarHBondContact NH2-OD2 3.04Å
727	V	94.8	Very high	91.5	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.006	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128	-170.2	-169.8	0	0	0	0	110.9	I710 F725 G735 H736 V738 E753 L765 A767	I710-V727 HydrophobicContact CD1-CB 4.45Å; I710-V727 HydrophobicContact CD1-CG1 3.87Å; I710-V727 HydrophobicContact CD1-CG2 3.64Å; F725-V727 HydrophobicContact CB-CG2 4.23Å; V727-G735 WeakPolarHBondContact O-CA 3.49Å; V727-H736 PolarHBondContact N-O 2.94Å; V727-H736 PolarHBondContact O-N 3.32Å; V727-H736 VanDerWaalsContact O-N 3.14Å; V727-V738 HydrophobicContact CG2-CG2 4.34Å; V727-E753 HydrophobicContact CG1-CG 4.46Å; V727-L765 HydrophobicContact CG1-CD1 3.82Å; V727-A767 HydrophobicContact CG2-CB 4.19Å
728	E	94.3	Very high	91.7	Very high	93 Å²	93	58.5 Å²	58.5	44%	0.435	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	150.5	-178.7	-177.8	165.5	-158	0	0	112	V766	E728-V766 PolarHBondContact N-O 3.08Å; E728-V766 PolarHBondContact O-N 3.48Å; E728-V766 VanDerWaalsContact O-O 3.1Å
729	G	93.2	Very high	91.9	Very high	2 Å²	2	60.3 Å²	60.3	2%	0.021	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	120.1	162.6	0	0	0	0	0	112.4	G731 L732 Q733 K764	G729-G731 PolarHBondContact O-N 3.11Å; G729-G731 VanDerWaalsContact O-N 3.14Å; G729-L732 WeakPolarHBondContact O-CA 3.35Å; G729-L732 WeakPolarHBondContact O-CB 3.39Å; G729-L732 PolarHBondContact O-N 2.7Å; G729-Q733 CarbonylContact C-O 3.57Å; G729-Q733 PolarHBondContact N-O 2.85Å; G729-Q733 PolarHBondContact O-N 3.29Å; G729-K764 VanDerWaalsContact CA-O 3.26Å; G729-K764 WeakPolarHBondContact CA-O 3.24Å
730	L	87.6	Confident	92	Very high	133 Å²	133	59.1 Å²	59.1	70%	0.696	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	117.5	-179.4	-62.4	178.9	0	0	0	110.9	L732 R763	L730-L732 VanDerWaalsContact C-N 3.31Å; L730-R763 WeakPolarHBondContact O-CD 3.23Å
731	G	86	Confident	92	Very high	12 Å²	12	60 Å²	60	12%	0.124	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	4.8	-173.5	0	0	0	0	0	115	G729 P757 T758 Q759	G729-G731 PolarHBondContact O-N 3.11Å; G729-G731 VanDerWaalsContact O-N 3.14Å; G731-P757 WeakPolarHBondContact O-CA 3.49Å; G731-T758 PolarHBondContact O-N 2.77Å; G731-T758 PolarHBondContact O-OG1 3.38Å; G731-Q759 PolarHBondContact O-N 2.93Å
732	L	91	Very high	92.1	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.021	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-54.6	178.1	-57.6	178.2	0	0	0	112	G729 L730 F755 P757 R763 L765 I783 V785	G729-L732 WeakPolarHBondContact O-CA 3.35Å; G729-L732 WeakPolarHBondContact O-CB 3.39Å; G729-L732 PolarHBondContact O-N 2.7Å; L730-L732 VanDerWaalsContact C-N 3.31Å; L732-F755 HydrophobicContact CB-CD2 3.95Å; L732-F755 HydrophobicContact CB-CE2 4.01Å; L732-F755 HydrophobicContact CD1-CE2 4.35Å; L732-F755 HydrophobicContact CD2-CE2 4.22Å; L732-F755 HydrophobicContact CG-CE2 4.44Å; L732-P757 HydrophobicContact CD2-CB 3.98Å; L732-P757 HydrophobicContact CD2-CG 4.04Å; L732-R763 HydrophobicContact CD1-CB 3.88Å; L732-R763 HydrophobicContact CD2-CB 3.85Å; L732-R763 HydrophobicContact CD2-CG 4.09Å; L732-R763 HydrophobicContact CG-CB 3.84Å; L732-R763 HydrophobicContact CG-CG 4.39Å; L732-L765 HydrophobicContact CD1-CB 3.93Å; L732-I783 HydrophobicContact CD1-CB 4.44Å; L732-I783 HydrophobicContact CD1-CD1 4.02Å; L732-V785 HydrophobicContact CD2-CG2 3.63Å
733	Q	89.6	Confident	92.3	Very high	34 Å²	34	53.8 Å²	53.8	16%	0.159	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	155.5	176	56.6	178.2	-23	0	0	111.8	G729 H736 F755 L765	G729-Q733 CarbonylContact C-O 3.57Å; G729-Q733 PolarHBondContact N-O 2.85Å; G729-Q733 PolarHBondContact O-N 3.29Å; Q733-H736 PolarHBondContact OE1-CE1 3.35Å; Q733-F755 HydrophobicContact CB-CB 3.93Å; Q733-F755 HydrophobicContact CG-CB 4.25Å; Q733-F755 HydrophobicContact CG-CG 4.44Å; Q733-L765 HydrophobicContact CG-CD1 4.41Å
734	K	87.8	Confident	92.3	Very high	187 Å²	187	55.1 Å²	55.1	81%	0.813	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	151.6	172	-65.7	-170.3	174.4	-168.1	0	110.8	H736	K734-H736 PolarHBondContact O-N 3.2Å
735	G	89	Confident	92.2	Very high	47 Å²	47	55.7 Å²	55.7	49%	0.485	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	129.8	169.5	0	0	0	0	0	112.4	V727	V727-G735 WeakPolarHBondContact O-CA 3.49Å
736	H	87.9	Confident	92.1	Very high	77 Å²	77	61.2 Å²	61.2	36%	0.356	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	168.3	171.8	73.7	-77.6	0	0	0	111.7	R726 V727 Q733 K734 E753	R726-H736 WeakPolarHBondContact CA-O 3.26Å; V727-H736 PolarHBondContact N-O 2.94Å; V727-H736 PolarHBondContact O-N 3.32Å; V727-H736 VanDerWaalsContact O-N 3.14Å; Q733-H736 PolarHBondContact OE1-CE1 3.35Å; K734-H736 PolarHBondContact O-N 3.2Å; H736-E753 IonicContact CE1-OE2 2.68Å; H736-E753 IonicContact NE2-OE2 3.67Å
737	E	93.6	Very high	92.1	Very high	109 Å²	109	58.2 Å²	58.2	51%	0.509	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	139.5	179.5	-57.8	-160.1	132	0	0	112	V724 F725 R726	V724-E737 HydrophobicContact CG1-CB 3.82Å; V724-E737 HydrophobicContact CG1-CG 4.24Å; F725-E737 CarbonylContact O-C 3.52Å; F725-E737 WeakPolarHBondContact O-CA 3.31Å; R726-E737 HydrophobicContact CG-CG 4.24Å; R726-E737 IonicContact CZ-OE1 3.65Å; R726-E737 IonicContact NE-OE1 3.44Å; R726-E737 PolarHBondContact NE-OE1 2.93Å; R726-E737 IonicContact NH2-OE1 2.62Å; R726-E737 PolarHBondContact NH2-OE1 3.28Å
738	V	93.4	Very high	92.2	Very high	25 Å²	25	62.4 Å²	62.4	15%	0.152	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	109.3	175.4	-173.7	0	0	0	0	108.3	F725 V727 I740 V751	F725-V738 HydrophobicContact CB-CB 4.4Å; F725-V738 PolarHBondContact N-O 3.48Å; F725-V738 PolarHBondContact O-N 2.77Å; V727-V738 HydrophobicContact CG2-CG2 4.34Å; V738-I740 HydrophobicContact CG1-CD1 4.2Å; V738-I740 PolarHBondContact O-N 2.91Å; V738-V751 HydrophobicContact CG1-CG1 4.28Å
739	V	94.4	Very high	92.3	Very high	116 Å²	116	59.4 Å²	59.4	70%	0.703	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	120.7	-178.2	-177.9	0	0	0	0	110	V724	V724-V739 HydrophobicContact CG2-CG2 4.45Å
740	I	94.3	Very high	92.4	Very high	40 Å²	40	62.4 Å²	62.4	21%	0.205	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-37.6	178.8	-48.4	-58.1	0	0	0	111.2	V723 F725 V738 V743 V749 V751	V723-I740 HydrophobicContact CB-CB 4.13Å; V723-I740 HydrophobicContact CG1-CB 4.24Å; V723-I740 HydrophobicContact CG1-CG1 4.3Å; V723-I740 WeakPolarHBondContact O-CA 3.37Å; V723-I740 VanDerWaalsContact O-CB 3.3Å; V723-I740 WeakPolarHBondContact O-CB 3.37Å; V723-I740 PolarHBondContact O-N 2.8Å; F725-I740 HydrophobicContact CD1-CD1 4.33Å; F725-I740 HydrophobicContact CD1-CG1 3.84Å; F725-I740 HydrophobicContact CD2-CD1 3.92Å; F725-I740 HydrophobicContact CD2-CG1 4.34Å; F725-I740 HydrophobicContact CE1-CD1 4.43Å; F725-I740 HydrophobicContact CE1-CG1 3.91Å; F725-I740 HydrophobicContact CE2-CD1 4.06Å; F725-I740 HydrophobicContact CE2-CG1 4.42Å; F725-I740 HydrophobicContact CG-CD1 4.06Å; F725-I740 HydrophobicContact CG-CG1 4.05Å; F725-I740 HydrophobicContact CZ-CD1 4.31Å; F725-I740 HydrophobicContact CZ-CG1 4.22Å; V738-I740 HydrophobicContact CG1-CD1 4.2Å; V738-I740 PolarHBondContact O-N 2.91Å; I740-V743 HydrophobicContact CG2-CG2 3.76Å; I740-V749 HydrophobicContact CG2-CB 4.47Å; I740-V749 HydrophobicContact CG2-CG1 4.37Å; I740-V749 HydrophobicContact CG2-CG2 3.75Å; I740-V751 HydrophobicContact CD1-CG2 3.57Å
741	G	93.1	Very high	92.8	Very high	20 Å²	20	57.5 Å²	57.5	21%	0.206	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	83	-149.2	-174.8	0	0	0	0	0	113.1	V723 V743	V723-G741 VanDerWaalsContact CB-O 3.26Å; V723-G741 WeakPolarHBondContact CB-O 3.45Å; V723-G741 WeakPolarHBondContact CG2-O 3.4Å; V723-G741 PolarHBondContact N-O 2.8Å; V723-G741 PolarHBondContact O-N 2.99Å; V723-G741 VanDerWaalsContact O-N 3.11Å; G741-V743 PolarHBondContact O-N 3.03Å
742	D	95.4	Very high	93.2	Very high	98 Å²	98	59.8 Å²	59.8	52%	0.524	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	121.1	-175.9	-85	24.9	0	0	0	112.2	V719 L720 K721 D722	V719-D742 HydrophobicContact CG1-CB 4.02Å; L720-D742 CarbonylContact O-C 3.55Å; L720-D742 WeakPolarHBondContact O-CA 3.29Å; K721-D742 VanDerWaalsContact CA-OD1 3.3Å; K721-D742 WeakPolarHBondContact CA-OD1 3.48Å; D722-D742 PolarHBondContact N-OD1 3.17Å
743	V	95.3	Very high	93.4	Very high	7 Å²	7	60.8 Å²	60.8	4%	0.042	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	116.3	177.2	-177	0	0	0	0	109.9	N714 V719 L720 V723 I740 G741 A747	N714-V743 HydrophobicContact CB-CG1 4.04Å; N714-V743 PolarHBondContact ND2-O 3.08Å; V719-V743 WeakPolarHBondContact CA-O 3.42Å; L720-V743 HydrophobicContact CB-CB 4.38Å; L720-V743 PolarHBondContact N-O 3.43Å; L720-V743 PolarHBondContact O-N 3.01Å; V723-V743 HydrophobicContact CB-CG2 4.16Å; V723-V743 HydrophobicContact CG1-CG2 4.47Å; V723-V743 HydrophobicContact CG2-CB 4.34Å; V723-V743 HydrophobicContact CG2-CG2 3.9Å; I740-V743 HydrophobicContact CG2-CG2 3.76Å; G741-V743 PolarHBondContact O-N 3.03Å; V743-A747 HydrophobicContact CG1-CB 4.25Å
744	G	94.2	Very high	93.6	Very high	29 Å²	29	65.7 Å²	65.7	30%	0.299	38%	0.378	S	S	.	.			trans	-58.3	156.6	-177.9	0	0	0	0	0	114.5	N714 Q746 A747	N714-G744 WeakPolarHBondContact CB-O 3.47Å; N714-G744 PolarHBondContact ND2-O 2.89Å; G744-Q746 PolarHBondContact O-N 2.92Å; G744-A747 VanDerWaalsContact O-CB 3.22Å; G744-A747 WeakPolarHBondContact O-CB 3.49Å; G744-A747 PolarHBondContact O-N 3.24Å
745	G	92.8	Very high	93.9	Very high	34 Å²	34	57.2 Å²	57.2	35%	0.351	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	130.5	173.3	0	0	0	0	0	111.5	N714 L716 A747	N714-G745 WeakPolarHBondContact ND2-CA 3.32Å; L716-G745 CarbonylContact O-C 3.45Å; L716-G745 WeakPolarHBondContact O-CA 3.26Å; G745-A747 PolarHBondContact O-N 2.81Å
746	Q	92.8	Very high	94.2	Very high	116 Å²	116	59.4 Å²	59.4	54%	0.542	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	10.9	-173.4	-54.2	-62.1	-67.9	0	0	115.8	N714 P715 L716 G744	N714-Q746 VanDerWaalsContact O-CA 3.29Å; N714-Q746 WeakPolarHBondContact O-CA 3.48Å; N714-Q746 PolarHBondContact O-N 3.28Å; N714-Q746 PolarHBondContact O-NE2 2.95Å; P715-Q746 PolarHBondContact O-NE2 2.84Å; L716-Q746 PolarHBondContact O-N 2.78Å; L716-Q746 PolarHBondContact O-NE2 3.35Å; G744-Q746 PolarHBondContact O-N 2.92Å
747	A	94.8	Very high	94.5	Very high	38 Å²	38	55.8 Å²	55.8	31%	0.314	32%	0.324	S	S	.	.			trans	-78.5	141.4	-180	0	0	0	0	0	112	T713 N714 V743 G744 G745	T713-A747 WeakPolarHBondContact CA-O 3.09Å; N714-A747 PolarHBondContact N-O 3.07Å; V743-A747 HydrophobicContact CG1-CB 4.25Å; G744-A747 VanDerWaalsContact O-CB 3.22Å; G744-A747 WeakPolarHBondContact O-CB 3.49Å; G744-A747 PolarHBondContact O-N 3.24Å; G745-A747 PolarHBondContact O-N 2.81Å
748	T	95.9	Very high	94.5	Very high	89 Å²	89	55.3 Å²	55.3	55%	0.546	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	129.6	168.9	-56.3	0	0	0	0	110.2	T711 F712 T713	T711-T748 HydrophobicContact CG2-CG2 3.73Å; F712-T748 CarbonylContact O-C 3.59Å; F712-T748 VanDerWaalsContact O-CA 3.27Å; F712-T748 WeakPolarHBondContact O-CA 3.31Å; F712-T748 WeakPolarHBondContact O-CG2 3.47Å; T713-T748 PolarHBondContact OG1-OG1 3.3Å
749	V	95.8	Very high	94.3	Very high	30 Å²	30	58.6 Å²	58.6	18%	0.182	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	153.6	168.1	67.5	0	0	0	0	110.4	T711 F712 F725 I740	T711-V749 WeakPolarHBondContact CA-O 3.32Å; F712-V749 HydrophobicContact CB-CG1 3.96Å; F712-V749 HydrophobicContact CD1-CG1 4.06Å; F712-V749 PolarHBondContact N-O 2.88Å; F712-V749 PolarHBondContact O-N 2.85Å; F725-V749 HydrophobicContact CZ-CG1 3.84Å; I740-V749 HydrophobicContact CG2-CB 4.47Å; I740-V749 HydrophobicContact CG2-CG1 4.37Å; I740-V749 HydrophobicContact CG2-CG2 3.75Å
750	T	95.9	Very high	94.2	Very high	66 Å²	66	55.2 Å²	55.2	41%	0.405	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	130.6	180	-80.5	0	0	0	0	108.2	K709 I710	K709-T750 HydrophobicContact CD-CG2 4.19Å; K709-T750 WeakPolarHBondContact CE-OG1 3.36Å; K709-T750 HydrophobicContact CG-CG2 3.86Å; I710-T750 WeakPolarHBondContact O-CA 3.39Å
751	V	95.2	Very high	94.1	Very high	29 Å²	29	54.3 Å²	54.3	18%	0.176	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	147.5	169.6	-174.3	0	0	0	0	108.5	K709 I710 F725 V738 I740 E753	K709-V751 CarbonylContact C-O 3.6Å; K709-V751 WeakPolarHBondContact CA-O 3.35Å; I710-V751 PolarHBondContact N-O 3.4Å; I710-V751 PolarHBondContact O-N 3.14Å; F725-V751 HydrophobicContact CD2-CG2 4.39Å; F725-V751 HydrophobicContact CE2-CG2 4.18Å; V738-V751 HydrophobicContact CG1-CG1 4.28Å; I740-V751 HydrophobicContact CD1-CG2 3.57Å; V751-E753 HydrophobicContact CG1-CG 4.47Å; V751-E753 WeakPolarHBondContact CG1-OE1 3.42Å
752	T	95.8	Very high	94.2	Very high	61 Å²	61	58.5 Å²	58.5	37%	0.374	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	106.2	171.9	-57.9	0	0	0	0	108.3	L697 H754	L697-T752 HydrophobicContact CD1-CG2 4.2Å; T752-H754 PolarHBondContact O-CD2 2.91Å
753	E	94.3	Very high	94.1	Very high	25 Å²	25	56.6 Å²	56.6	12%	0.117	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	140.9	177.6	-74.6	-51.2	130.9	0	0	111.5	S707 A708 I710 V727 H736 V751	S707-E753 CarbonylContact C-O 3.51Å; S707-E753 WeakPolarHBondContact CA-O 3.28Å; S707-E753 WeakPolarHBondContact CB-O 3.4Å; A708-E753 PolarHBondContact N-O 2.93Å; A708-E753 PolarHBondContact O-N 3.07Å; I710-E753 HydrophobicContact CD1-CB 4.48Å; I710-E753 HydrophobicContact CD1-CG 3.74Å; I710-E753 HydrophobicContact CG1-CG 4.47Å; V727-E753 HydrophobicContact CG1-CG 4.46Å; H736-E753 IonicContact CE1-OE2 2.68Å; H736-E753 IonicContact NE2-OE2 3.67Å; V751-E753 HydrophobicContact CG1-CG 4.47Å; V751-E753 WeakPolarHBondContact CG1-OE1 3.42Å
754	H	94.3	Very high	94	Very high	136 Å²	136	61.2 Å²	61.2	63%	0.63	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.4	122.1	-173.9	-74.1	-85.3	0	0	0	110.9	T752	T752-H754 PolarHBondContact O-CD2 2.91Å
755	F	94.1	Very high	94.1	Very high	10 Å²	10	59.8 Å²	59.8	4%	0.044	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	166.6	-174.1	55.4	-86.6	0	0	0	112.6	M706 A708 L732 Q733 L765 I783	M706-F755 HydrophobicContact CE-CE2 4.16Å; M706-F755 HydrophobicContact CE-CZ 3.96Å; M706-F755 HydrophobicContact CG-CD2 3.87Å; M706-F755 HydrophobicContact CG-CE1 4.49Å; M706-F755 HydrophobicContact CG-CE2 3.5Å; M706-F755 VanDerWaalsContact CG-CE2 3.5Å; M706-F755 HydrophobicContact CG-CZ 3.84Å; M706-F755 PolarHBondContact N-O 2.82Å; M706-F755 PolarHBondContact O-N 3.47Å; M706-F755 VanDerWaalsContact O-N 3.16Å; M706-F755 HydrophobicContact SD-CD2 4.23Å; M706-F755 HydrophobicContact SD-CE2 3.39Å; M706-F755 WeakPolarHBondContact SD-CE2 3.39Å; M706-F755 HydrophobicContact SD-CZ 3.83Å; A708-F755 HydrophobicContact CB-CE1 3.85Å; A708-F755 HydrophobicContact CB-CZ 4.22Å; L732-F755 HydrophobicContact CB-CD2 3.95Å; L732-F755 HydrophobicContact CB-CE2 4.01Å; L732-F755 HydrophobicContact CD1-CE2 4.35Å; L732-F755 HydrophobicContact CD2-CE2 4.22Å; L732-F755 HydrophobicContact CG-CE2 4.44Å; Q733-F755 HydrophobicContact CB-CB 3.93Å; Q733-F755 HydrophobicContact CG-CB 4.25Å; Q733-F755 HydrophobicContact CG-CG 4.44Å; F755-L765 HydrophobicContact CE1-CD2 3.8Å; F755-L765 HydrophobicContact CZ-CD2 3.86Å; F755-I783 HydrophobicContact CE2-CD1 4.39Å; F755-I783 HydrophobicContact CZ-CD1 3.99Å
756	I	95.2	Very high	94.2	Very high	93 Å²	93	61.5 Å²	61.5	48%	0.477	34%	0.341	S	S	.	.			trans	-124.4	108.5	-176.8	-56.9	174.6	0	0	0	108.2	A705 T758	A705-I756 HydrophobicContact CB-CG1 4.08Å; I756-T758 PolarHBondContact O-N 3.41Å
757	P	94.6	Very high	94.3	Very high	0 Å²	0	56 Å²	56	0%	0	32%	0.315	C	S	.	.			trans	-58.3	133.3	177.2	-25.1	36	0	0	0	112.1	A700 V702 G703 K704 M706 G731 L732 V785	A700-P757 HydrophobicContact CB-CG 4.49Å; V702-P757 WeakPolarHBondContact CA-O 3.43Å; G703-P757 PolarHBondContact N-O 3.38Å; K704-P757 VanDerWaalsContact O-CD 3.26Å; K704-P757 WeakPolarHBondContact O-CD 3.24Å; M706-P757 HydrophobicContact CG-CG 4.13Å; M706-P757 HydrophobicContact SD-CG 3.66Å; G731-P757 WeakPolarHBondContact O-CA 3.49Å; L732-P757 HydrophobicContact CD2-CB 3.98Å; L732-P757 HydrophobicContact CD2-CG 4.04Å; P757-V785 HydrophobicContact CB-CB 4.49Å; P757-V785 HydrophobicContact CB-CG1 3.54Å; P757-V785 HydrophobicContact CB-CG2 4.06Å; P757-V785 HydrophobicContact CG-CG1 4.29Å; P757-V785 HydrophobicContact CG-CG2 4.45Å
758	T	92.6	Very high	94.3	Very high	99 Å²	99	56.3 Å²	56.3	61%	0.607	32%	0.315	S	S	*	.			trans	-109.4	-13.1	-178	52.2	0	0	0	0	113.2	G731 I756	G731-T758 PolarHBondContact O-N 2.77Å; G731-T758 PolarHBondContact O-OG1 3.38Å; I756-T758 PolarHBondContact O-N 3.41Å
759	Q	89.9	Confident	94.2	Very high	94 Å²	94	52.4 Å²	52.4	44%	0.439	29%	0.291	S	S	.	.	S	Bend	trans	-135.2	136.1	177.4	-56.4	-175	3.4	0	0	111.4	G731 R763 V785	G731-Q759 PolarHBondContact O-N 2.93Å; Q759-R763 VanDerWaalsContact CB-NH2 3.33Å; Q759-R763 VanDerWaalsContact OE1-CZ 3.27Å; Q759-R763 VanDerWaalsContact OE1-NH2 3.13Å; Q759-V785 WeakPolarHBondContact O-CG1 3.47Å
760	P	92.9	Very high	93.7	Very high	46 Å²	46	54.2 Å²	54.2	30%	0.299	30%	0.299	S	S	.	.			trans	-74.9	175	176.5	33.4	-35.1	0	0	0	111.6	V702 R763 V785 E787	V702-P760 HydrophobicContact CG2-CB 3.82Å; V702-P760 HydrophobicContact CG2-CG 4.28Å; P760-R763 PolarHBondContact O-NE 3.5Å; P760-R763 VanDerWaalsContact O-NE 3.09Å; P760-R763 PolarHBondContact O-NH2 3.12Å; P760-V785 CarbonylContact C-O 3.5Å; P760-V785 WeakPolarHBondContact CA-O 3.32Å; P760-E787 HydrophobicContact CB-CG 3.58Å; P760-E787 HydrophobicContact CG-CG 3.95Å
761	G	91.9	Very high	93.3	Very high	20 Å²	20	51.4 Å²	51.4	21%	0.206	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	96	-176.4	179.3	0	0	0	0	0	113.6	R763 M784 V785	G761-R763 PolarHBondContact O-N 2.87Å; G761-M784 VanDerWaalsContact C-CE 3.49Å; G761-V785 PolarHBondContact N-O 3.17Å; G761-V785 PolarHBondContact O-N 3.47Å
762	P	94	Very high	92.7	Very high	108 Å²	108	59.8 Å²	59.8	70%	0.701	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	126.4	175.2	28.9	-33.8	0	0	0	110.4
763	R	93.3	Very high	92.1	Very high	58 Å²	58	59.4 Å²	59.4	22%	0.219	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	157.7	179.5	-56.4	-61.9	162.9	168.9	-5.6	110.1	L730 L732 Q759 P760 G761 I783 V785	L730-R763 WeakPolarHBondContact O-CD 3.23Å; L732-R763 HydrophobicContact CD1-CB 3.88Å; L732-R763 HydrophobicContact CD2-CB 3.85Å; L732-R763 HydrophobicContact CD2-CG 4.09Å; L732-R763 HydrophobicContact CG-CB 3.84Å; L732-R763 HydrophobicContact CG-CG 4.39Å; Q759-R763 VanDerWaalsContact CB-NH2 3.33Å; Q759-R763 VanDerWaalsContact OE1-CZ 3.27Å; Q759-R763 VanDerWaalsContact OE1-NH2 3.13Å; P760-R763 PolarHBondContact O-NE 3.5Å; P760-R763 VanDerWaalsContact O-NE 3.09Å; P760-R763 PolarHBondContact O-NH2 3.12Å; G761-R763 PolarHBondContact O-N 2.87Å; R763-I783 PolarHBondContact N-O 3.36Å; R763-I783 PolarHBondContact O-N 3.13Å; R763-V785 HydrophobicContact CB-CG2 4.14Å; R763-V785 HydrophobicContact CG-CB 4.41Å; R763-V785 HydrophobicContact CG-CG2 3.6Å
764	K	94.8	Very high	91.6	Very high	104 Å²	104	58.3 Å²	58.3	45%	0.452	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.3	173.6	-74.5	179.5	178	-62.5	0	109.4	G729 V766 V780 A781 D782	G729-K764 VanDerWaalsContact CA-O 3.26Å; G729-K764 WeakPolarHBondContact CA-O 3.24Å; K764-V766 HydrophobicContact CB-CG2 4.44Å; K764-V780 HydrophobicContact CB-CG2 3.99Å; K764-V780 HydrophobicContact CD-CG2 4.03Å; K764-V780 HydrophobicContact CG-CG2 4.01Å; K764-A781 WeakPolarHBondContact CA-O 3.49Å; K764-D782 WeakPolarHBondContact CE-OD1 3.41Å; K764-D782 WeakPolarHBondContact CG-OD1 3.37Å; K764-D782 IonicContact NZ-OD1 3.97Å; K764-D782 PolarHBondContact NZ-OD1 2.93Å; K764-D782 IonicContact NZ-OD2 2.73Å; K764-D782 PolarHBondContact NZ-OD2 2.69Å
765	L	95.1	Very high	90.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	122.6	162.8	175.8	63.8	0	0	0	107.1	I694 A708 V727 L732 Q733 F755 V780 A781 I783	I694-L765 HydrophobicContact CG2-CD2 3.7Å; I694-L765 HydrophobicContact CG2-CG 4.18Å; A708-L765 HydrophobicContact CB-CD2 3.38Å; V727-L765 HydrophobicContact CG1-CD1 3.82Å; L732-L765 HydrophobicContact CD1-CB 3.93Å; Q733-L765 HydrophobicContact CG-CD1 4.41Å; F755-L765 HydrophobicContact CE1-CD2 3.8Å; F755-L765 HydrophobicContact CZ-CD2 3.86Å; L765-V780 CarbonylContact O-C 3.55Å; L765-V780 VanDerWaalsContact O-CA 3.31Å; L765-V780 WeakPolarHBondContact O-CA 3.23Å; L765-A781 PolarHBondContact N-O 3.25Å; L765-A781 PolarHBondContact O-N 2.89Å; L765-I783 HydrophobicContact CB-CD1 3.8Å; L765-I783 HydrophobicContact CD2-CD1 4.23Å
766	V	96.1	Very high	90.1	Very high	70 Å²	70	59.4 Å²	59.4	42%	0.424	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143.6	-178.4	-178.3	0	0	0	0	108.7	E728 K764 G779 V780	E728-V766 PolarHBondContact N-O 3.08Å; E728-V766 PolarHBondContact O-N 3.48Å; E728-V766 VanDerWaalsContact O-O 3.1Å; K764-V766 HydrophobicContact CB-CG2 4.44Å; V766-G779 WeakPolarHBondContact CA-O 3.29Å; V766-V780 HydrophobicContact CG2-CB 4.5Å; V766-V780 HydrophobicContact CG2-CG2 4.08Å
767	A	95	Very high	89.8	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.008	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	153.5	166.7	0	0	0	0	0	110.9	L692 I694 I710 R726 V727 H778 G779	L692-A767 HydrophobicContact CD1-CB 3.66Å; I694-A767 HydrophobicContact CD1-CB 3.75Å; I710-A767 HydrophobicContact CD1-CB 4.12Å; I710-A767 HydrophobicContact CG2-CB 4.48Å; R726-A767 CarbonylContact O-C 3.42Å; R726-A767 WeakPolarHBondContact O-CA 3.08Å; V727-A767 HydrophobicContact CG2-CB 4.19Å; A767-H778 CarbonylContact O-C 3.52Å; A767-H778 WeakPolarHBondContact O-CA 3.46Å; A767-G779 PolarHBondContact N-O 2.99Å; A767-G779 PolarHBondContact O-N 2.8Å
768	S	94.1	Very high	89.7	Confident	44 Å²	44	60.2 Å²	60.2	31%	0.308	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	156.6	167.3	59	0	0	0	0	110.5	F725 R726 V777	F725-S768 CarbonylContact C-O 3.59Å; F725-S768 VanDerWaalsContact CA-O 3.26Å; F725-S768 WeakPolarHBondContact CA-O 3.33Å; R726-S768 PolarHBondContact N-O 3.02Å; R726-S768 PolarHBondContact O-N 3.01Å; S768-V777 WeakPolarHBondContact CA-O 3.23Å
769	L	92.8	Very high	89.7	Confident	7 Å²	7	55.8 Å²	55.8	4%	0.037	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128.7	176.5	179.1	170.6	0	0	0	108.7	L692 F712 V723 V724 F725 C771 V777	L692-L769 HydrophobicContact CD1-CB 4.37Å; L692-L769 HydrophobicContact CD2-CB 4.27Å; L692-L769 HydrophobicContact CD2-CD1 4.34Å; F712-L769 HydrophobicContact CD1-CD1 3.57Å; F712-L769 HydrophobicContact CD2-CD1 3.69Å; F712-L769 HydrophobicContact CE1-CD1 3.5Å; F712-L769 VanDerWaalsContact CE1-CD1 3.5Å; F712-L769 HydrophobicContact CE2-CD1 3.59Å; F712-L769 HydrophobicContact CG-CD1 3.67Å; F712-L769 HydrophobicContact CZ-CD1 3.5Å; V723-L769 HydrophobicContact CG1-CD1 4.06Å; V723-L769 HydrophobicContact CG1-CD2 3.89Å; V723-L769 HydrophobicContact CG1-CG 3.71Å; V724-L769 WeakPolarHBondContact O-CA 3.41Å; F725-L769 HydrophobicContact CD1-CB 4.04Å; F725-L769 HydrophobicContact CD1-CD1 4.35Å; F725-L769 HydrophobicContact CD1-CG 4.01Å; F725-L769 HydrophobicContact CE1-CB 4.17Å; F725-L769 HydrophobicContact CE1-CD1 3.69Å; F725-L769 HydrophobicContact CE1-CG 3.85Å; L769-C771 HydrophobicContact CD2-CB 4.29Å; L769-V777 HydrophobicContact CB-CB 3.94Å; L769-V777 HydrophobicContact CB-CG1 3.65Å; L769-V777 HydrophobicContact CD1-CG1 4Å; L769-V777 HydrophobicContact CG-CG1 4.39Å; L769-V777 PolarHBondContact N-O 2.8Å
770	D	86.9	Confident	90	Very high	68 Å²	68	54.9 Å²	54.9	36%	0.364	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	125.4	175.3	-171.2	-0	0	0	0	110.3	V724 R726	V724-D770 PolarHBondContact N-O 2.72Å; V724-D770 PolarHBondContact O-N 3.42Å; R726-D770 IonicContact CZ-OD2 3.93Å; R726-D770 IonicContact NH1-OD2 2.68Å; R726-D770 PolarHBondContact NH1-OD2 3.43Å; R726-D770 IonicContact NH2-OD2 3.69Å; R726-D770 PolarHBondContact NH2-OD2 3.04Å
771	C	87.1	Confident	90.1	Very high	6 Å²	6	53.1 Å²	53.1	4%	0.041	28%	0.281	C	S	.	.			trans	-165.5	153.6	164.9	74.6	0	0	0	0	110.9	V723 L769 Q773 L774	V723-C771 HydrophobicContact CG2-CB 3.93Å; L769-C771 HydrophobicContact CD2-CB 4.29Å; C771-Q773 VanDerWaalsContact C-N 3.25Å; C771-Q773 PolarHBondContact O-N 3.22Å; C771-L774 CarbonylContact O-C 3.58Å; C771-L774 PolarHBondContact O-N 2.65Å; C771-L774 PolarHBondContact SG-N 2.81Å; C771-L774 VanDerWaalsContact SG-N 3.43Å; C771-L774 PolarHBondContact SG-O 2.8Å
772	K	81.9	Confident	90.2	Very high	206 Å²	206	57.2 Å²	57.2	90%	0.896	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-20.2	-176.4	-64.3	-171.2	177.3	-173.1	0	114.9
773	Q	84	Confident	90.2	Very high	52 Å²	52	52.5 Å²	52.5	24%	0.243	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-15.2	-178.8	-67.2	97.5	-59.1	0	0	113.7	L716 V719 L720 C771	L716-Q773 HydrophobicContact CD1-CB 4.41Å; V719-Q773 PolarHBondContact O-NE2 3.15Å; L720-Q773 HydrophobicContact CD2-CB 3.61Å; C771-Q773 VanDerWaalsContact C-N 3.25Å; C771-Q773 PolarHBondContact O-N 3.22Å
774	L	84.1	Confident	90.2	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.01	28%	0.282	C	S	.	.			trans	-158	98.3	-174.3	-173.9	71.8	0	0	0	110.5	M587 T689 F712 P715 L720 C771 V777	M587-L774 HydrophobicContact CE-CD1 4.1Å; M587-L774 HydrophobicContact CG-CD1 3.63Å; T689-L774 HydrophobicContact CG2-CD1 4.04Å; F712-L774 HydrophobicContact CE2-CD2 4.19Å; F712-L774 HydrophobicContact CZ-CD2 3.69Å; P715-L774 HydrophobicContact CG-CD1 4.11Å; P715-L774 HydrophobicContact CG-CD2 3.7Å; L720-L774 HydrophobicContact CD1-CB 4.4Å; L720-L774 HydrophobicContact CD1-CD2 4.04Å; L720-L774 HydrophobicContact CD2-CB 3.83Å; C771-L774 CarbonylContact O-C 3.58Å; C771-L774 PolarHBondContact O-N 2.65Å; C771-L774 PolarHBondContact SG-N 2.81Å; C771-L774 VanDerWaalsContact SG-N 3.43Å; C771-L774 PolarHBondContact SG-O 2.8Å; L774-V777 HydrophobicContact CD2-CG2 3.74Å; L774-V777 HydrophobicContact CG-CG2 3.85Å
775	T	78.4	Confident	90.2	Very high	56 Å²	56	50.2 Å²	50.2	34%	0.344	26%	0.261	S	S	.	.			trans	-84.7	175.3	174.2	58	0	0	0	0	111.7	T689 V777	T689-T775 WeakPolarHBondContact CG2-O 3.46Å; T775-V777 VanDerWaalsContact C-N 3.32Å; T775-V777 PolarHBondContact O-N 2.62Å
776	Q	78.4	Confident	90.1	Very high	114 Å²	114	53.8 Å²	53.8	53%	0.533	28%	0.28	S	S	.	.			trans	59.5	34.2	166.3	-56.4	-63.5	-27.3	0	0	114.9	T689	T689-Q776 PolarHBondContact OG1-O 2.9Å
777	V	88.9	Confident	89.8	Confident	3 Å²	3	58 Å²	58	2%	0.018	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	123.9	171.2	167.3	0	0	0	0	109.1	T689 P690 L692 F712 S768 L769 L774 T775	T689-V777 HydrophobicContact CG2-CG2 4.28Å; P690-V777 WeakPolarHBondContact O-CG1 3.41Å; L692-V777 HydrophobicContact CD2-CG1 3.72Å; L692-V777 HydrophobicContact CG-CG1 3.8Å; F712-V777 HydrophobicContact CD2-CG1 4.03Å; F712-V777 HydrophobicContact CE2-CG1 3.87Å; F712-V777 HydrophobicContact CE2-CG2 4.31Å; S768-V777 WeakPolarHBondContact CA-O 3.23Å; L769-V777 HydrophobicContact CB-CB 3.94Å; L769-V777 HydrophobicContact CB-CG1 3.65Å; L769-V777 HydrophobicContact CD1-CG1 4Å; L769-V777 HydrophobicContact CG-CG1 4.39Å; L769-V777 PolarHBondContact N-O 2.8Å; L774-V777 HydrophobicContact CD2-CG2 3.74Å; L774-V777 HydrophobicContact CG-CG2 3.85Å; T775-V777 VanDerWaalsContact C-N 3.32Å; T775-V777 PolarHBondContact O-N 2.62Å
778	H	92.4	Very high	88.7	Confident	106 Å²	106	66.3 Å²	66.3	49%	0.491	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	166.3	-175.8	66.1	-69.7	0	0	0	110.8	D691 L692 A767	D691-H778 CarbonylContact C-O 3.58Å; D691-H778 VanDerWaalsContact CA-O 3.23Å; D691-H778 WeakPolarHBondContact CA-O 3.4Å; D691-H778 WeakPolarHBondContact CB-O 3.43Å; L692-H778 PolarHBondContact N-O 2.9Å; A767-H778 CarbonylContact O-C 3.52Å; A767-H778 WeakPolarHBondContact O-CA 3.46Å
779	G	92.5	Very high	88.4	Confident	6 Å²	6	67.4 Å²	67.4	6%	0.062	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	162.2	173.7	0	0	0	0	0	112.4	L692 I694 V766 A767	L692-G779 WeakPolarHBondContact O-CA 3.35Å; I694-G779 WeakPolarHBondContact CD1-O 3.5Å; V766-G779 WeakPolarHBondContact CA-O 3.29Å; A767-G779 PolarHBondContact N-O 2.99Å; A767-G779 PolarHBondContact O-N 2.8Å
780	V	95.2	Very high	88.2	Confident	76 Å²	76	70.6 Å²	70.6	46%	0.461	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	141.4	-176.9	61	0	0	0	0	110.9	K764 L765 V766	K764-V780 HydrophobicContact CB-CG2 3.99Å; K764-V780 HydrophobicContact CD-CG2 4.03Å; K764-V780 HydrophobicContact CG-CG2 4.01Å; L765-V780 CarbonylContact O-C 3.55Å; L765-V780 VanDerWaalsContact O-CA 3.31Å; L765-V780 WeakPolarHBondContact O-CA 3.23Å; V766-V780 HydrophobicContact CG2-CB 4.5Å; V766-V780 HydrophobicContact CG2-CG2 4.08Å
781	A	95.4	Very high	88.3	Confident	9 Å²	9	70.7 Å²	70.7	7%	0.074	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	131.3	164.4	0	0	0	0	0	110.3	I694 P696 K764 L765 I783	I694-A781 HydrophobicContact CB-CB 3.83Å; I694-A781 HydrophobicContact CG2-CB 3.57Å; P696-A781 HydrophobicContact CG-CB 3.92Å; K764-A781 WeakPolarHBondContact CA-O 3.49Å; L765-A781 PolarHBondContact N-O 3.25Å; L765-A781 PolarHBondContact O-N 2.89Å; A781-I783 HydrophobicContact CB-CG1 4.48Å
782	D	93.7	Very high	88.4	Confident	106 Å²	106	74.5 Å²	74.5	57%	0.567	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	128.7	165.4	-77	-71.8	0	0	0	109.9	K764	K764-D782 WeakPolarHBondContact CE-OD1 3.41Å; K764-D782 WeakPolarHBondContact CG-OD1 3.37Å; K764-D782 IonicContact NZ-OD1 3.97Å; K764-D782 PolarHBondContact NZ-OD1 2.93Å; K764-D782 IonicContact NZ-OD2 2.73Å; K764-D782 PolarHBondContact NZ-OD2 2.69Å
783	I	93.3	Very high	88.8	Confident	9 Å²	9	66.3 Å²	66.3	5%	0.046	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	115.9	-175.6	-61.7	-175.6	0	0	0	108.2	P696 A700 M706 L732 F755 R763 L765 A781 V785	P696-I783 HydrophobicContact CB-CD1 4.23Å; P696-I783 HydrophobicContact CB-CG1 4.25Å; P696-I783 HydrophobicContact CG-CD1 3.91Å; P696-I783 HydrophobicContact CG-CG1 3.68Å; A700-I783 HydrophobicContact CB-CG2 3.43Å; A700-I783 VanDerWaalsContact CB-CG2 3.43Å; M706-I783 HydrophobicContact CE-CD1 4.15Å; M706-I783 HydrophobicContact CE-CG2 4.08Å; M706-I783 HydrophobicContact SD-CG2 4.22Å; L732-I783 HydrophobicContact CD1-CB 4.44Å; L732-I783 HydrophobicContact CD1-CD1 4.02Å; F755-I783 HydrophobicContact CE2-CD1 4.39Å; F755-I783 HydrophobicContact CZ-CD1 3.99Å; R763-I783 PolarHBondContact N-O 3.36Å; R763-I783 PolarHBondContact O-N 3.13Å; L765-I783 HydrophobicContact CB-CD1 3.8Å; L765-I783 HydrophobicContact CD2-CD1 4.23Å; A781-I783 HydrophobicContact CB-CG1 4.48Å; I783-V785 HydrophobicContact CG2-CG2 4.11Å; I783-V785 PolarHBondContact O-N 2.84Å
784	M	94.6	Very high	89.1	Confident	112 Å²	112	67.3 Å²	67.3	55%	0.552	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	103.7	175.3	-175.8	61.9	-122.5	0	0	109.3	G761	G761-M784 VanDerWaalsContact C-CE 3.49Å
785	V	94.7	Very high	89.4	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.006	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	117.8	-179.8	-172.6	0	0	0	0	110.1	A700 V702 L732 P757 Q759 P760 G761 R763 I783	A700-V785 HydrophobicContact CB-CB 4.44Å; A700-V785 HydrophobicContact CB-CG2 4.09Å; V702-V785 HydrophobicContact CG2-CG1 3.86Å; L732-V785 HydrophobicContact CD2-CG2 3.63Å; P757-V785 HydrophobicContact CB-CB 4.49Å; P757-V785 HydrophobicContact CB-CG1 3.54Å; P757-V785 HydrophobicContact CB-CG2 4.06Å; P757-V785 HydrophobicContact CG-CG1 4.29Å; P757-V785 HydrophobicContact CG-CG2 4.45Å; Q759-V785 WeakPolarHBondContact O-CG1 3.47Å; P760-V785 CarbonylContact C-O 3.5Å; P760-V785 WeakPolarHBondContact CA-O 3.32Å; G761-V785 PolarHBondContact N-O 3.17Å; G761-V785 PolarHBondContact O-N 3.47Å; R763-V785 HydrophobicContact CB-CG2 4.14Å; R763-V785 HydrophobicContact CG-CB 4.41Å; R763-V785 HydrophobicContact CG-CG2 3.6Å; I783-V785 HydrophobicContact CG2-CG2 4.11Å; I783-V785 PolarHBondContact O-N 2.84Å
786	N	92.5	Very high	90.3	Very high	75 Å²	75	73.2 Å²	73.2	40%	0.401	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-79.2	153	176.3	-65.4	-29.8	0	0	0	111.9	A700 V701 V702	A700-N786 PolarHBondContact O-N 2.65Å; V701-N786 WeakPolarHBondContact CA-O 3.19Å; V701-N786 HydrophobicContact CG2-CB 4.34Å; V702-N786 PolarHBondContact N-O 3.45Å
787	E	88.9	Confident	91.3	Very high	160 Å²	160	69.8 Å²	69.8	75%	0.748	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-67.1	162.7	163.6	-65.2	-177.2	170.2	0	0	110.7	V701 P760	V701-E787 WeakPolarHBondContact CG1-O 3.25Å; P760-E787 HydrophobicContact CB-CG 3.58Å; P760-E787 HydrophobicContact CG-CG 3.95Å
788	Q	73.3	Confident	91.5	Very high	174 Å²	174	75.8 Å²	75.8	81%	0.813	38%	0.384	S	S	*	.			trans	-81.4	0	-154.2	-173.5	171.4	87.8	0	0	116.5	V702 K704	V702-Q788 PolarHBondContact O-NE2 2.93Å; K704-Q788 PolarHBondContact NZ-OXT 3.25Å

Retrieved 788 of 788 residues in 225.3 ms (Link to these results)

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