A0A3Q0KU03_SCHMA Loading...

Putative zinc finger protein

AlphaFold DB , UniProt , Accession A0A3Q0KU03, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 872 aa.

						>A0A3Q0KU03_SCHMA|A0A3Q0KU03
MNSEFVGISAVRNGESGPTVVMKNQLSDSTRCVLNSALSELDDTPGVPSMTNCPQETKKKGTKLSSKHQNVSKTDELSTRPQPPCSVRLIDEEERVLFEDADVLAWHLGCPADRTVKLIAIVGNTGDGKSHTLNQAFCGGADVFVTSPSQATCTIGIWAAYLPKEGYLLIDTEGLLGASPNPNRQRRLLLKVFALADVVIYRTMSDRLHSDMFTFLADASDAFSEHFRPDLEALAERTGLPWTPGQLGPVVVIFQETQHTLPLDEPHSVSSTNNNTCTDRLGSAEPSNERMSTLSSRFLTERLVAMRRNANAFSSLVYVGTQTKVPPTNFQPLASMVAKKIRDISVRAPRKLVHIFHILQALNTRFSSDLPCSSPTFVEEYFTCPCKCISCGVRCCLSVNHTSNNVGHKAEYVGSNGVSTSPCRYEPTLQNKLYFCKLCYAYGQKTMMVPKSGESNTNALSAVVKYLWAGYVLECPRHGTIYRSRGYWSGNVEPEMNPQVHWEIVHVWQGEKSILSGTHPVSQLLLDGLTVVSSQVSQLAGPPARRLGDLIADSVAPRYWQPNSSIKACAVCKVEFQGSSDDSVCSRSSLMRQKSTTDKKHSTLSAGDDSPQKDKASTGKDNSILNRSSSFSDSLNKEKSSTKPLKPFIDDLSKHHCRACGRGVCAKCSTGRLPVPDQGYGSDGVRVCDQCYDARLQDKVIDSKTRVSGMNYNSQINNNSLTGRKVIEMLSATADYIAPIYTGPKELVKSLARPDYWQPDDQCVSCNVCSAPFGSRLTIHHCRSCGQGVCGFCSQHYQPVPKRGLDFPSRVCDRCYQPNLKDYETSHRPTVSEHRSLDLAGNVPNQQMQQRKRNTQYNNPNVNTAHKKNSEG
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.6	Very low	29.9	Very low	170 Å²	170	138 Å²	138	84%	0.837	81%	0.811	S	S	*	*				0	139.5	0	-76.7	-177	164.7	0	0	110.4	D633 L635	M1-D633 PolarHBondContact N-OD2 2.79Å; M1-L635 HydrophobicContact CE-CD2 3.61Å; M1-L635 HydrophobicContact CE-CG 4.45Å
2	N	28.4	Very low	29.9	Very low	162 Å²	162	145.2 Å²	145.2	87%	0.866	81%	0.814	S	S	*	*			trans	-108.5	148.1	-173.6	-61.5	8.4	0	0	0	113
3	S	33.5	Very low	29.8	Very low	121 Å²	121	146.7 Å²	146.7	85%	0.846	82%	0.819	S	S	*	*			trans	-160.3	118.8	136.8	-167.1	0	0	0	0	109.7
4	E	31	Very low	29.8	Very low	172 Å²	172	141.4 Å²	141.4	80%	0.804	81%	0.814	S	S	*	*			trans	-84.9	165.5	165.2	-62.7	169.7	107.7	0	0	110.4
5	F	32.2	Very low	29.9	Very low	193 Å²	193	145 Å²	145	85%	0.846	82%	0.821	S	S	*	*			trans	153.3	143	143.4	-102.6	-121.6	0	0	0	109.3
6	V	32.6	Very low	29.9	Very low	108 Å²	108	143.6 Å²	143.6	66%	0.655	82%	0.823	S	S	*	*			cis	-158.5	150	-23.8	109.3	0	0	0	0	106.6
7	G	25.5	Very low	29.8	Very low	71 Å²	71	139.5 Å²	139.5	73%	0.732	82%	0.819	S	S	*	*			trans	-93.6	150.8	176.2	0	0	0	0	0	113
8	I	29	Very low	29.9	Very low	163 Å²	163	138.9 Å²	138.9	84%	0.836	82%	0.82	S	S	*	*			trans	-133.1	136	166.8	-60.3	-178.3	0	0	0	108.7
9	S	25.5	Very low	29.5	Very low	111 Å²	111	138.2 Å²	138.2	78%	0.776	82%	0.817	S	S	*	*			trans	-106.7	163.4	-178.4	-60.9	0	0	0	0	113.5
10	A	26.4	Very low	29.5	Very low	103 Å²	103	138.1 Å²	138.1	85%	0.851	82%	0.818	S	S	*	*			trans	-17.4	137.1	171.9	0	0	0	0	0	119.6
11	V	32	Very low	29.1	Very low	144 Å²	144	136.5 Å²	136.5	87%	0.873	81%	0.809	S	S	*	*			trans	-128	151	156.1	-179.3	0	0	0	0	108.5
12	R	30.5	Very low	28.8	Very low	224 Å²	224	137.4 Å²	137.4	85%	0.845	81%	0.814	S	S	*	*			trans	-96.5	158.7	-175	-69	174.5	169.7	171.7	-5.1	113
13	N	28.7	Very low	28.6	Very low	165 Å²	165	138.6 Å²	138.6	88%	0.882	81%	0.811	S	S	*	*			trans	35.7	121.7	148.1	-56.7	7.6	0	0	0	119.7
14	G	30	Very low	28.4	Very low	72 Å²	72	139.8 Å²	139.8	74%	0.742	81%	0.808	S	S	*	*			trans	-174.8	109.1	164.9	0	0	0	0	0	115.6
15	E	31.4	Very low	28.4	Very low	196 Å²	196	138.8 Å²	138.8	92%	0.916	80%	0.803	S	S	*	*			trans	51.2	111.5	140.5	-57.9	-175.5	131.4	0	0	122.5
16	S	29.7	Very low	28.1	Very low	123 Å²	123	137 Å²	137	86%	0.86	80%	0.802	S	S	*	*			trans	-34.6	145.5	160.5	51	0	0	0	0	121.6
17	G	28.4	Very low	28.1	Very low	73 Å²	73	137.1 Å²	137.1	75%	0.753	81%	0.807	S	S	*	*			trans	126.1	165.5	132	0	0	0	0	0	117.2
18	P	30.2	Very low	28.2	Very low	130 Å²	130	140.7 Å²	140.7	84%	0.844	81%	0.81	S	S	*	*			cis	-124.1	172.3	-16	40.2	-26.2	0	0	0	114
19	T	22.8	Very low	28.3	Very low	124 Å²	124	138.5 Å²	138.5	76%	0.761	81%	0.809	S	S	*	*			trans	-79	146.4	-178.7	-42.1	0	0	0	0	113.5	V21	T19-V21 HydrophobicContact CG2-CG2 3.89Å
20	V	29.3	Very low	28.6	Very low	137 Å²	137	139.8 Å²	139.8	83%	0.83	81%	0.812	S	S	*	*			trans	-112	130.7	160.3	178.7	0	0	0	0	109.4
21	V	22.3	Very low	28.7	Very low	104 Å²	104	145.1 Å²	145.1	63%	0.63	81%	0.81	S	S	*	*			trans	-122.5	135.4	-179.4	177	0	0	0	0	109.6	T19 K23	T19-V21 HydrophobicContact CG2-CG2 3.89Å; V21-K23 HydrophobicContact CG1-CG 4.28Å
22	M	26.5	Very low	28.6	Very low	190 Å²	190	144.4 Å²	144.4	94%	0.936	81%	0.81	S	S	*	*			trans	-121.2	133	157.6	-76.8	-168.6	168.3	0	0	109.6
23	K	23.8	Very low	28.2	Very low	186 Å²	186	140.6 Å²	140.6	81%	0.809	81%	0.812	S	S	*	*			trans	-112.8	135	175.6	-81.5	-179.1	172.7	178.7	0	109.5	V21	V21-K23 HydrophobicContact CG1-CG 4.28Å
24	N	29.6	Very low	28	Very low	147 Å²	147	139.1 Å²	139.1	79%	0.786	80%	0.803	S	S	*	*			trans	-172.5	149.3	151.5	-92.6	-25.3	0	0	0	108.1
25	Q	30.4	Very low	27.9	Very low	151 Å²	151	142.5 Å²	142.5	71%	0.706	80%	0.804	S	S	*	*			cis	-169.9	123.7	-36.5	-129.3	-169.3	101.9	0	0	106.5
26	L	26.6	Very low	27.8	Very low	155 Å²	155	138.9 Å²	138.9	81%	0.812	80%	0.801	S	S	*	*			trans	63.8	158.1	169.4	-62.8	146.8	0	0	0	115.9
27	S	31.8	Very low	27.6	Very low	111 Å²	111	137.3 Å²	137.3	78%	0.776	80%	0.795	S	S	*	*			cis	-136.5	169.7	-2.2	50.2	0	0	0	0	112.1
28	D	27.2	Very low	27.4	Very low	146 Å²	146	141.7 Å²	141.7	78%	0.781	80%	0.8	S	S	*	*			trans	-73.4	151	-169.2	-58.2	-95.4	0	0	0	116.9
29	S	31.6	Very low	27.3	Very low	116 Å²	116	140.9 Å²	140.9	81%	0.811	80%	0.798	S	S	*	*				-160.2	124.5	122	-83.2	0	0	0	0	114
30	T	32.5	Very low	27.7	Very low	139 Å²	139	144.1 Å²	144.1	85%	0.853	80%	0.804	S	S	*	*			trans	66.2	96.1	150.9	-43.9	0	0	0	0	119.5
31	R	27.1	Very low	27.6	Very low	214 Å²	214	145.1 Å²	145.1	81%	0.808	80%	0.804	S	S	*	*			trans	-79.7	158.5	159.8	-54.2	154.4	86.5	127	-1.7	110
32	C	29.7	Very low	27.8	Very low	129 Å²	129	147 Å²	147	87%	0.872	81%	0.81	S	S	*	*				178.7	87	124	-100.4	0	0	0	0	114.3
33	V	23.2	Very low	28	Very low	145 Å²	145	145.8 Å²	145.8	88%	0.879	81%	0.808	S	S	*	*			trans	-145.5	131.4	147.9	-178.8	0	0	0	0	106.7
34	L	24.8	Very low	28.1	Very low	133 Å²	133	142.9 Å²	142.9	70%	0.696	81%	0.806	S	S	*	*			trans	-174	145.1	160.7	-109.9	164.1	0	0	0	111.1
35	N	26.6	Very low	28.1	Very low	143 Å²	143	142 Å²	142	77%	0.765	81%	0.808	S	S	*	*			trans	67.8	143.3	170.3	-52.9	-26.1	0	0	0	115.9
36	S	29.7	Very low	27.9	Very low	121 Å²	121	138.1 Å²	138.1	85%	0.846	81%	0.808	S	S	*	*			cis	-127	169.6	4.8	-68.8	0	0	0	0	111.9
37	A	24.6	Very low	27.8	Very low	89 Å²	89	137.6 Å²	137.6	74%	0.736	81%	0.811	S	S	*	*			trans	-135.8	172.1	-178.8	0	0	0	0	0	112.1
38	L	25.2	Very low	27.6	Very low	165 Å²	165	137.6 Å²	137.6	86%	0.864	81%	0.809	S	S	*	*			trans	78.6	159.7	171	-55.2	168.3	0	0	0	116.7
39	S	28.9	Very low	27.4	Very low	114 Å²	114	135.7 Å²	135.7	80%	0.797	81%	0.807	S	S	*	*			trans	67.1	129.2	-167	83.4	0	0	0	0	113.1
40	E	30.7	Very low	27.3	Very low	191 Å²	191	137.3 Å²	137.3	89%	0.893	80%	0.803	S	S	*	*			cis	-132.9	174.3	0.6	-67.6	-170.3	121.3	0	0	113.2
41	L	27.6	Very low	27.1	Very low	158 Å²	158	137 Å²	137	83%	0.827	80%	0.801	S	S	*	*			trans	-76.5	173.6	-179.7	-78.4	154	0	0	0	113.3
42	D	26.4	Very low	27.2	Very low	144 Å²	144	134.4 Å²	134.4	77%	0.77	80%	0.804	S	S	*	*			trans	57.5	92.7	160.3	-60.5	-19.4	0	0	0	118.3
43	D	29.1	Very low	27	Very low	165 Å²	165	134.1 Å²	134.1	88%	0.882	80%	0.801	S	S	*	*				-160.6	152.3	115.7	-115.1	-25.3	0	0	0	112.8
44	T	26.1	Very low	27.2	Very low	125 Å²	125	132.8 Å²	132.8	77%	0.767	80%	0.796	S	S	*	*			trans	-119.3	162.1	165.8	56.2	0	0	0	0	107.8
45	P	29.6	Very low	27.4	Very low	129 Å²	129	136 Å²	136	84%	0.838	81%	0.807	S	S	*	*			cis	-141.4	-165.4	20.8	43.4	-24.1	0	0	0	114.7
46	G	26.6	Very low	27.5	Very low	68 Å²	68	137.2 Å²	137.2	70%	0.701	81%	0.809	S	S	*	*			trans	139.4	108.5	152.3	0	0	0	0	0	116.1
47	V	24.3	Very low	27.4	Very low	144 Å²	144	136.2 Å²	136.2	87%	0.873	80%	0.797	S	S	*	*			trans	-88.8	123.2	172.5	178	0	0	0	0	110.4
48	P	27.4	Very low	27.7	Very low	112 Å²	112	140.1 Å²	140.1	73%	0.727	80%	0.798	S	S	*	*			trans	-92.7	105.8	168.4	9.5	9.9	0	0	0	110.5	M50	P48-M50 PolarHBondContact O-N 2.98Å
49	S	24.5	Very low	28	Very low	106 Å²	106	141.3 Å²	141.3	74%	0.741	80%	0.796	S	S	*	*			trans	-76	114.7	167.7	-176.9	0	0	0	0	109.8
50	M	28.1	Very low	28	Very low	149 Å²	149	146 Å²	146	73%	0.734	80%	0.802	S	S	*	*			trans	-137.1	97.1	178.6	-71.6	-89.7	69.2	0	0	111.7	P48 N52	P48-M50 PolarHBondContact O-N 2.98Å; M50-N52 PolarHBondContact O-N 3.37Å
51	T	28.2	Very low	28	Very low	133 Å²	133	140.4 Å²	140.4	82%	0.816	80%	0.795	S	S	*	*			trans	-69.8	115.1	161.1	45	0	0	0	0	109.7	C53	T51-C53 PolarHBondContact O-N 3.26Å
52	N	30.1	Very low	28.1	Very low	160 Å²	160	139.1 Å²	139.1	86%	0.856	79%	0.794	S	S	*	*			trans	-88.4	108	179.1	-90.8	-24	0	0	0	112.2	M50	M50-N52 PolarHBondContact O-N 3.37Å
53	C	25.6	Very low	28.3	Very low	122 Å²	122	141.3 Å²	141.3	82%	0.824	80%	0.797	S	S	*	*			trans	-122.9	125.3	150.1	-166.8	0	0	0	0	106.8	T51	T51-C53 PolarHBondContact O-N 3.26Å
54	P	27.6	Very low	28.3	Very low	118 Å²	118	141 Å²	141	77%	0.766	79%	0.794	S	S	*	*			trans	-86.4	131.6	-161.7	31.9	-35.1	0	0	0	113.7
55	Q	29.7	Very low	28.5	Very low	199 Å²	199	139.9 Å²	139.9	93%	0.93	79%	0.791	S	S	*	*			trans	-139.8	167.7	160.2	-79	-152.9	-11.6	0	0	112.6
56	E	27.1	Very low	28.4	Very low	170 Å²	170	138.6 Å²	138.6	79%	0.794	79%	0.786	S	S	*	*			trans	-107.6	137.6	-146	-81.4	-164	105.3	0	0	117.1
57	T	27.3	Very low	28.7	Very low	99 Å²	99	145.1 Å²	145.1	61%	0.607	80%	0.795	S	S	*	*			trans	78.8	138.1	140.4	66.6	0	0	0	0	123.2
58	K	30.8	Very low	29	Very low	172 Å²	172	147 Å²	147	75%	0.748	79%	0.794	S	S	*	*			trans	82.6	99.9	141.7	-73.6	153	-168.5	159.5	0	121.2
59	K	32.3	Very low	29.2	Very low	189 Å²	189	150.3 Å²	150.3	82%	0.822	80%	0.799	S	S	*	*				81.6	109.5	125.1	-67.2	-178.3	175.8	-178.5	0	120.5
60	K	29.5	Very low	29.2	Very low	214 Å²	214	153.2 Å²	153.2	93%	0.93	81%	0.807	S	S	*	*			trans	45.3	120.6	130.6	-62.7	-171.7	174.9	-170.1	0	119.4
61	G	29.7	Very low	29.4	Very low	72 Å²	72	152 Å²	152	74%	0.742	81%	0.807	S	S	*	*			trans	-174.1	30.3	169.4	0	0	0	0	0	120.7
62	T	31	Very low	29.2	Very low	132 Å²	132	150.8 Å²	150.8	81%	0.81	80%	0.804	S	S	*	*			trans	30.2	115.2	160.3	46	0	0	0	0	122.1
63	K	29.6	Very low	29.3	Very low	190 Å²	190	152 Å²	152	83%	0.826	80%	0.802	S	S	*	*			trans	74.7	113.8	133	-74.2	-167.4	168	-173.1	0	122.3
64	L	29	Very low	29.4	Very low	157 Å²	157	151.7 Å²	151.7	82%	0.822	80%	0.796	S	S	*	*				102.1	133.9	122.3	-108.2	73.9	0	0	0	122.6
65	S	30.5	Very low	29.6	Very low	102 Å²	102	153.2 Å²	153.2	71%	0.713	80%	0.798	S	S	*	*			trans	87.9	77.8	142.5	-131	0	0	0	0	121.5
66	S	28.1	Very low	29.7	Very low	102 Å²	102	153.4 Å²	153.4	71%	0.713	80%	0.799	S	S	*	*			trans	27.2	120	132.3	61.9	0	0	0	0	121.5
67	K	33.5	Very low	30.3	Very low	206 Å²	206	152.7 Å²	152.7	90%	0.896	80%	0.8	S	S	*	*				-166.4	163.1	108.5	-109.5	174.8	-179.1	178.1	0	112.6
68	H	28.5	Very low	31.3	Very low	184 Å²	184	152 Å²	152	85%	0.852	80%	0.799	S	S	*	*			trans	-63.8	143.1	-177.2	-67.7	-107.2	0	0	0	113.7
69	Q	32.8	Very low	32.7	Very low	181 Å²	181	150 Å²	150	85%	0.846	80%	0.801	S	S	*	*			trans	-155	138.4	144.3	-110.1	168.9	30.2	0	0	110
70	N	25.3	Very low	34.2	Very low	167 Å²	167	146.2 Å²	146.2	89%	0.893	78%	0.782	S	S	*	*			trans	-78.7	123.5	174.1	-74.2	-14.1	0	0	0	109.6
71	V	31	Very low	36.4	Very low	123 Å²	123	138 Å²	138	75%	0.745	75%	0.75	S	S	*	*			trans	-138.9	127	165.6	-177.6	0	0	0	0	109.4
72	S	24.9	Very low	38.7	Very low	108 Å²	108	143.2 Å²	143.2	76%	0.755	76%	0.756	S	S	*	*			trans	-82.2	125.9	178.1	51.1	0	0	0	0	112.5
73	K	31.7	Very low	41.1	Very low	186 Å²	186	138.9 Å²	138.9	81%	0.809	73%	0.729	S	S	*	*			trans	-141.9	134.4	154.9	-67.9	-174.9	177.8	-177.8	0	106.1
74	T	28	Very low	43.6	Very low	115 Å²	115	132.4 Å²	132.4	71%	0.706	71%	0.707	S	S	*	*			cis	56.8	69.6	22.9	78.8	0	0	0	0	113.7
75	D	30.6	Very low	46.5	Very low	149 Å²	149	126.5 Å²	126.5	80%	0.797	68%	0.679	S	S	*	*				176.9	85.1	120.2	-85.7	-19.4	0	0	0	112.3
76	E	33.4	Very low	49.4	Very low	203 Å²	203	123.2 Å²	123.2	95%	0.949	66%	0.655	S	S	*	*			trans	-136.5	79.7	155.1	-78.1	-157.3	120.2	0	0	108.6	S78	E76-S78 PolarHBondContact O-N 3.35Å; E76-S78 VanDerWaalsContact O-N 3.09Å
77	L	38.5	Very low	52.5	Low	155 Å²	155	119.2 Å²	119.2	81%	0.812	63%	0.626	S	S	*	*			trans	-84.1	90	-165.5	-171.9	60.6	0	0	0	113.1
78	S	47.4	Very low	55.3	Low	86 Å²	86	112.9 Å²	112.9	60%	0.601	60%	0.597	S	S	*	*			trans	46.1	84.4	148.5	66.3	0	0	0	0	117.7	E76	E76-S78 PolarHBondContact O-N 3.35Å; E76-S78 VanDerWaalsContact O-N 3.09Å
79	T	60.9	Low	58.3	Low	129 Å²	129	104.8 Å²	104.8	79%	0.791	56%	0.56	S	S	*	*			trans	-109.4	138.1	146.7	51.9	0	0	0	0	109.2
80	R	65.1	Low	60.9	Low	110 Å²	110	96.1 Å²	96.1	42%	0.415	52%	0.52	S	S	.	.			trans	-72.9	136.9	178.5	-167.9	179.5	-165.6	174.2	5.2	108.9	Q82 A105 C110	R80-Q82 PolarHBondContact O-N 2.97Å; R80-A105 PolarHBondContact NH2-O 2.92Å; R80-C110 PolarHBondContact NH2-O 2.87Å
81	P	74.8	Confident	63.8	Low	41 Å²	41	88.3 Å²	88.3	27%	0.266	48%	0.478	S	S	.	.			trans	-55.2	138.7	175.4	22.7	-34	0	0	0	110.5	P83 W106 H107	P81-P83 WeakPolarHBondContact O-CD 3.25Å; P81-W106 HydrophobicContact CG-CZ3 4.4Å; P81-H107 WeakPolarHBondContact CG-O 3.2Å
82	Q	77.6	Confident	66	Low	182 Å²	182	86.5 Å²	86.5	85%	0.85	46%	0.461	S	S	*	.			trans	-82.1	112.3	176.1	-68.7	-166.3	7.7	0	0	109.6	R80	R80-Q82 PolarHBondContact O-N 2.97Å
83	P	81	Confident	68.5	Low	40 Å²	40	86.4 Å²	86.4	26%	0.26	45%	0.449	S	S	.	.	S	Bend	trans	-70.4	148.4	175.8	26.9	-34.8	0	0	0	112.3	P81 Y161 P163	P81-P83 WeakPolarHBondContact O-CD 3.25Å; P83-Y161 HydrophobicContact CB-CD1 4.19Å; P83-Y161 HydrophobicContact CG-CD1 4.38Å; P83-P163 HydrophobicContact CB-CG 3.66Å; P83-P163 HydrophobicContact CG-CG 3.36Å
84	P	83.4	Confident	70.7	Confident	55 Å²	55	78.1 Å²	78.1	36%	0.357	41%	0.413	S	S	.	.	S	Bend	cis	-83.6	132.1	9.4	32.2	-34.6	0	0	0	114	V143 Y161 L162	P84-V143 HydrophobicContact CB-CG1 4.16Å; P84-V143 HydrophobicContact CB-CG2 3.88Å; P84-V143 HydrophobicContact CG-CG2 3.77Å; P84-Y161 WeakPolarHBondContact CA-O 3.26Å; P84-L162 HydrophobicContact CB-CD2 4.06Å; P84-L162 HydrophobicContact CG-CD2 4.37Å
85	C	88.6	Confident	73.3	Confident	33 Å²	33	79.2 Å²	79.2	22%	0.223	40%	0.404	C	S	.	.			trans	-133.6	152.1	168.8	50	0	0	0	0	108.2	H107 A160	C85-H107 PolarHBondContact SG-O 3.34Å; C85-A160 VanDerWaalsContact O-CA 3.29Å; C85-A160 WeakPolarHBondContact O-CA 3.16Å; C85-A160 VanDerWaalsContact O-CB 3.28Å; C85-A160 WeakPolarHBondContact O-CB 3.46Å
86	S	92	Very high	75.9	Confident	32 Å²	32	73.6 Å²	73.6	22%	0.224	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	148	175.4	66.8	0	0	0	0	112.4	V143 A159	S86-V143 WeakPolarHBondContact CB-O 3.36Å; S86-V143 PolarHBondContact OG-O 2.74Å; S86-A159 CarbonylContact C-O 3.5Å; S86-A159 VanDerWaalsContact CA-O 3.23Å; S86-A159 WeakPolarHBondContact CA-O 3.46Å
87	V	93.1	Very high	78.6	Confident	18 Å²	18	67.5 Å²	67.5	11%	0.109	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	143.7	177.4	-54.1	0	0	0	0	109.4	L89 F98 L104 H107 L108 W158 A159	V87-L89 HydrophobicContact CG2-CD2 4.16Å; V87-L89 PolarHBondContact O-N 2.97Å; V87-F98 HydrophobicContact CB-CE2 4.49Å; V87-F98 HydrophobicContact CB-CZ 4.2Å; V87-F98 HydrophobicContact CG2-CE2 4.23Å; V87-F98 HydrophobicContact CG2-CZ 4.23Å; V87-L104 HydrophobicContact CG2-CD1 3.91Å; V87-H107 HydrophobicContact CG1-CB 4.05Å; V87-L108 HydrophobicContact CG1-CD2 4.47Å; V87-L108 HydrophobicContact CG2-CD2 3.76Å; V87-L108 HydrophobicContact CG2-CG 4Å; V87-W158 CarbonylContact O-C 3.57Å; V87-W158 VanDerWaalsContact O-CA 3.28Å; V87-W158 WeakPolarHBondContact O-CA 3.47Å; V87-A159 HydrophobicContact CG2-CB 4.33Å; V87-A159 PolarHBondContact N-O 3.01Å; V87-A159 PolarHBondContact O-N 3.31Å
88	R	92.7	Very high	81	Confident	73 Å²	73	61.5 Å²	61.5	28%	0.275	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	114.2	173.8	-168.7	165	73.1	155.2	9.1	109.3	I90 E92 L97 F98 I157 W158	R88-I90 VanDerWaalsContact CG-O 3.22Å; R88-I90 WeakPolarHBondContact CG-O 3.48Å; R88-E92 IonicContact CZ-OE2 2.82Å; R88-E92 IonicContact NH1-OE2 3.46Å; R88-E92 PolarHBondContact NH1-OE2 3.48Å; R88-E92 IonicContact NH2-OE2 3.94Å; R88-L97 HydrophobicContact CB-CD1 4.03Å; R88-L97 HydrophobicContact CG-CD1 3.84Å; R88-F98 WeakPolarHBondContact O-CE2 3.14Å; R88-I157 CarbonylContact C-O 3.04Å; R88-W158 HydrophobicContact CB-CD2 3.9Å; R88-W158 HydrophobicContact CB-CE3 4.15Å; R88-W158 HydrophobicContact CB-CG 4.49Å; R88-W158 HydrophobicContact CB-CH2 4.1Å; R88-W158 HydrophobicContact CB-CZ2 3.84Å; R88-W158 HydrophobicContact CB-CZ3 4.25Å; R88-W158 HydrophobicContact CG-CD2 4.29Å; R88-W158 HydrophobicContact CG-CZ2 4.13Å
89	L	91	Very high	82.8	Confident	14 Å²	14	66.3 Å²	66.3	7%	0.073	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	-39.8	175.7	-67	-172.4	0	0	0	112.2	V87 V96 L97 F98 L104 I157 A159 I170 L359	V87-L89 HydrophobicContact CG2-CD2 4.16Å; V87-L89 PolarHBondContact O-N 2.97Å; L89-V96 WeakPolarHBondContact O-CA 3.4Å; L89-L97 PolarHBondContact O-N 3.49Å; L89-F98 HydrophobicContact CD2-CD2 4.32Å; L89-F98 HydrophobicContact CD2-CE2 4.21Å; L89-L104 HydrophobicContact CD2-CD1 3.46Å; L89-L104 VanDerWaalsContact CD2-CD1 3.46Å; L89-L104 HydrophobicContact CD2-CD2 3.81Å; L89-L104 HydrophobicContact CD2-CG 4.31Å; L89-I157 HydrophobicContact CB-CG2 4.27Å; L89-I157 HydrophobicContact CD1-CG2 4.28Å; L89-I157 PolarHBondContact N-O 3.46Å; L89-A159 HydrophobicContact CD1-CB 3.65Å; L89-A159 HydrophobicContact CD2-CB 3.98Å; L89-A159 HydrophobicContact CG-CB 3.61Å; L89-I170 HydrophobicContact CD1-CD1 3.91Å; L89-L359 HydrophobicContact CD1-CD2 4.24Å
90	I	88.1	Confident	84	Confident	0 Å²	0	64 Å²	64	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	140.3	-174.7	-50	-175.9	0	0	0	109.2	R88 R95 V96 G156 I157 L188 L359	R88-I90 VanDerWaalsContact CG-O 3.22Å; R88-I90 WeakPolarHBondContact CG-O 3.48Å; I90-R95 VanDerWaalsContact CA-O 3.31Å; I90-R95 WeakPolarHBondContact CA-O 3.4Å; I90-V96 HydrophobicContact CG1-CG2 4.43Å; I90-G156 WeakPolarHBondContact O-CA 3.31Å; I90-I157 HydrophobicContact CB-CB 4.13Å; I90-I157 HydrophobicContact CD1-CB 4.42Å; I90-I157 HydrophobicContact CD1-CD1 3.83Å; I90-I157 HydrophobicContact CD1-CG1 4.41Å; I90-I157 HydrophobicContact CG1-CB 4.22Å; I90-I157 PolarHBondContact N-O 2.94Å; I90-I157 PolarHBondContact O-N 3.35Å; I90-L188 HydrophobicContact CD1-CD1 4.07Å; I90-L188 HydrophobicContact CG2-CD1 4.22Å; I90-L359 HydrophobicContact CD1-CD1 3.89Å
91	D	86	Confident	85.1	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.011	29%	0.293	C	S	.	.			trans	-94.2	-170.4	-179.6	64.6	7.8	0	0	0	115	E93 E94 R95 L97 R184	D91-E93 VanDerWaalsContact C-N 3.26Å; D91-E93 VanDerWaalsContact CG-OE2 3.28Å; D91-E93 PolarHBondContact O-N 3.32Å; D91-E93 PolarHBondContact OD1-N 3.33Å; D91-E94 PolarHBondContact O-N 3Å; D91-E94 PolarHBondContact OD1-N 3.08Å; D91-R95 PolarHBondContact N-O 2.98Å; D91-R95 WeakPolarHBondContact OD1-CB 3.07Å; D91-R95 PolarHBondContact OD1-N 2.68Å; D91-R95 IonicContact OD1-NE 3.39Å; D91-R95 IonicContact OD2-CZ 3.95Å; D91-R95 VanDerWaalsContact OD2-CZ 3.27Å; D91-R95 IonicContact OD2-NE 2.61Å; D91-R95 PolarHBondContact OD2-NE 3.26Å; D91-R95 IonicContact OD2-NH2 3.14Å; D91-R95 PolarHBondContact OD2-NH2 3.49Å; D91-L97 HydrophobicContact CB-CD1 4.23Å; D91-L97 HydrophobicContact CB-CD2 4.1Å; D91-L97 HydrophobicContact CB-CG 4.39Å; D91-R184 PolarHBondContact O-NH2 3.14Å
92	E	78	Confident	85.8	Confident	85 Å²	85	61.3 Å²	61.3	40%	0.397	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.2	173.2	47.2	-95.6	-111.2	0	0	114.1	R88 I155 R184	R88-E92 IonicContact CZ-OE2 2.82Å; R88-E92 IonicContact NH1-OE2 3.46Å; R88-E92 PolarHBondContact NH1-OE2 3.48Å; R88-E92 IonicContact NH2-OE2 3.94Å; E92-I155 HydrophobicContact CB-CG2 3.76Å; E92-I155 HydrophobicContact CG-CG2 4.45Å; E92-R184 PolarHBondContact O-NE 3.04Å; E92-R184 PolarHBondContact O-NH2 3Å
93	E	77.1	Confident	86.4	Confident	107 Å²	107	55.9 Å²	55.9	50%	0.5	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	9.1	178.4	-61.7	84.7	174.6	0	0	115	D91 R95	D91-E93 VanDerWaalsContact C-N 3.26Å; D91-E93 VanDerWaalsContact CG-OE2 3.28Å; D91-E93 PolarHBondContact O-N 3.32Å; D91-E93 PolarHBondContact OD1-N 3.33Å; E93-R95 VanDerWaalsContact C-N 3.27Å; E93-R95 HydrophobicContact CB-CG 4.11Å; E93-R95 PolarHBondContact O-N 3.47Å; E93-R95 IonicContact OE1-NH2 3.03Å; E93-R95 IonicContact OE2-CZ 3.58Å; E93-R95 IonicContact OE2-NE 3.23Å; E93-R95 IonicContact OE2-NH2 2.75Å; E93-R95 PolarHBondContact OE2-NH2 3.22Å
94	E	76.6	Confident	86.9	Confident	12 Å²	12	54.2 Å²	54.2	6%	0.056	27%	0.272	C	S	.	.			trans	63.3	23.3	-171.4	-55.8	-170.6	72.4	0	0	114.7	D91 R184 R187 K191 N363	D91-E94 PolarHBondContact O-N 3Å; D91-E94 PolarHBondContact OD1-N 3.08Å; E94-R184 HydrophobicContact CG-CG 3.73Å; E94-R184 WeakPolarHBondContact OE2-CA 3.36Å; E94-R184 WeakPolarHBondContact OE2-CB 3.43Å; E94-R187 WeakPolarHBondContact OE1-CB 3.46Å; E94-R187 IonicContact OE1-NE 4Å; E94-R187 IonicContact OE2-CZ 2.71Å; E94-R187 IonicContact OE2-NE 2.72Å; E94-R187 PolarHBondContact OE2-NE 3.38Å; E94-R187 IonicContact OE2-NH2 3.16Å; E94-R187 PolarHBondContact OE2-NH2 3.25Å; E94-K191 IonicContact OE1-NZ 2.77Å; E94-K191 PolarHBondContact OE1-NZ 3.23Å; E94-N363 PolarHBondContact O-ND2 3.03Å; E94-N363 PolarHBondContact O-OD1 3.23Å
95	R	83.3	Confident	87.2	Confident	137 Å²	137	51.8 Å²	51.8	52%	0.517	26%	0.256	S	S	.	.			trans	-84.8	133	175	-57.2	176.6	-68.8	-156.5	-6.2	110	I90 D91 E93 L97	I90-R95 VanDerWaalsContact CA-O 3.31Å; I90-R95 WeakPolarHBondContact CA-O 3.4Å; D91-R95 PolarHBondContact N-O 2.98Å; D91-R95 WeakPolarHBondContact OD1-CB 3.07Å; D91-R95 PolarHBondContact OD1-N 2.68Å; D91-R95 IonicContact OD1-NE 3.39Å; D91-R95 IonicContact OD2-CZ 3.95Å; D91-R95 VanDerWaalsContact OD2-CZ 3.27Å; D91-R95 IonicContact OD2-NE 2.61Å; D91-R95 PolarHBondContact OD2-NE 3.26Å; D91-R95 IonicContact OD2-NH2 3.14Å; D91-R95 PolarHBondContact OD2-NH2 3.49Å; E93-R95 VanDerWaalsContact C-N 3.27Å; E93-R95 HydrophobicContact CB-CG 4.11Å; E93-R95 PolarHBondContact O-N 3.47Å; E93-R95 IonicContact OE1-NH2 3.03Å; E93-R95 IonicContact OE2-CZ 3.58Å; E93-R95 IonicContact OE2-NE 3.23Å; E93-R95 IonicContact OE2-NH2 2.75Å; E93-R95 PolarHBondContact OE2-NH2 3.22Å; R95-L97 PolarHBondContact O-N 2.87Å
96	V	85.7	Confident	87.3	Confident	32 Å²	32	55.5 Å²	55.5	19%	0.194	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-74.2	123.6	170.3	-179.8	0	0	0	0	108	L89 I90 F98 F356 L359 N363	L89-V96 WeakPolarHBondContact O-CA 3.4Å; I90-V96 HydrophobicContact CG1-CG2 4.43Å; V96-F98 VanDerWaalsContact C-N 3.29Å; V96-F98 PolarHBondContact O-N 3.03Å; V96-F356 HydrophobicContact CG1-CE2 4.09Å; V96-L359 HydrophobicContact CG1-CD2 4.35Å; V96-L359 HydrophobicContact CG2-CD2 4.33Å; V96-L359 HydrophobicContact CG2-CG 4.11Å; V96-N363 HydrophobicContact CG2-CB 3.98Å
97	L	89.8	Confident	87.2	Confident	75 Å²	75	57.6 Å²	57.6	39%	0.393	27%	0.272	S	S	.	.	S	Bend	trans	-85.1	5.3	-170.3	-63.9	-178.3	0	0	0	114.9	R88 L89 D91 R95	R88-L97 HydrophobicContact CB-CD1 4.03Å; R88-L97 HydrophobicContact CG-CD1 3.84Å; L89-L97 PolarHBondContact O-N 3.49Å; D91-L97 HydrophobicContact CB-CD1 4.23Å; D91-L97 HydrophobicContact CB-CD2 4.1Å; D91-L97 HydrophobicContact CB-CG 4.39Å; R95-L97 PolarHBondContact O-N 2.87Å
98	F	89.6	Confident	87.1	Confident	28 Å²	28	56.8 Å²	56.8	12%	0.123	27%	0.267	C	S	.	.			trans	-127.1	137.8	177.3	-63.2	-89.2	0	0	0	109.2	V87 R88 L89 V96 V103 L104 H107 F356	V87-F98 HydrophobicContact CB-CE2 4.49Å; V87-F98 HydrophobicContact CB-CZ 4.2Å; V87-F98 HydrophobicContact CG2-CE2 4.23Å; V87-F98 HydrophobicContact CG2-CZ 4.23Å; R88-F98 WeakPolarHBondContact O-CE2 3.14Å; L89-F98 HydrophobicContact CD2-CD2 4.32Å; L89-F98 HydrophobicContact CD2-CE2 4.21Å; V96-F98 VanDerWaalsContact C-N 3.29Å; V96-F98 PolarHBondContact O-N 3.03Å; F98-V103 HydrophobicContact CD1-CG1 4.12Å; F98-L104 HydrophobicContact CB-CB 4.32Å; F98-L104 HydrophobicContact CD1-CB 4.11Å; F98-L104 HydrophobicContact CD1-CD1 4.48Å; F98-L104 HydrophobicContact CD2-CB 4.49Å; F98-L104 HydrophobicContact CD2-CD1 3.89Å; F98-L104 HydrophobicContact CE1-CD1 4.34Å; F98-L104 HydrophobicContact CE2-CD1 3.73Å; F98-L104 HydrophobicContact CG-CB 4.06Å; F98-L104 HydrophobicContact CG-CD1 4.27Å; F98-L104 HydrophobicContact CZ-CD1 3.97Å; F98-H107 HydrophobicContact CE1-CB 4.2Å; F98-H107 AromaticContact CE1-CG 3.93Å; F98-H107 AromaticContact CE1-ND1 3.78Å; F98-H107 HydrophobicContact CZ-CB 4.43Å; F98-F356 HydrophobicContact CB-CE2 3.88Å; F98-F356 HydrophobicContact CB-CZ 4.25Å; F98-F356 VanDerWaalsContact O-CZ 3.29Å; F98-F356 WeakPolarHBondContact O-CZ 3.33Å
99	E	84.8	Confident	86.9	Confident	187 Å²	187	53.7 Å²	53.7	87%	0.874	26%	0.258	S	S	*	.	S	Bend	trans	-86.5	-33.2	176.5	-60.9	-177.8	163.4	0	0	111.9	F356 Q360	E99-F356 WeakPolarHBondContact O-CE1 3.47Å; E99-Q360 PolarHBondContact O-NE2 3.24Å
100	D	86.9	Confident	86.7	Confident	81 Å²	81	53 Å²	53	43%	0.433	25%	0.254	S	S	.	.			trans	-127.4	141.7	-173.3	-170.7	-18.9	0	0	0	111.8	D102 V103 L104 F356	D100-D102 VanDerWaalsContact C-N 3.34Å; D100-D102 PolarHBondContact OD1-N 2.87Å; D100-V103 HydrophobicContact CB-CB 4.39Å; D100-V103 HydrophobicContact CB-CG2 4.02Å; D100-V103 PolarHBondContact O-N 3.21Å; D100-L104 PolarHBondContact O-N 3.03Å; D100-F356 VanDerWaalsContact C-CE1 3.45Å
101	A	87.6	Confident	86.7	Confident	2 Å²	2	55 Å²	55	2%	0.017	27%	0.267	C	S	.	.	H	α-helix	trans	-60.9	-37.8	173.3	0	0	0	0	0	113.4	L104 A105 V353 F356	A101-L104 PolarHBondContact O-N 3.26Å; A101-A105 VanDerWaalsContact O-CB 3.29Å; A101-A105 WeakPolarHBondContact O-CB 3.44Å; A101-A105 PolarHBondContact O-N 2.94Å; A101-V353 HydrophobicContact CB-CB 3.61Å; A101-V353 HydrophobicContact CB-CG2 3.69Å; A101-F356 HydrophobicContact CB-CB 3.92Å; A101-F356 HydrophobicContact CB-CD1 3.59Å; A101-F356 HydrophobicContact CB-CE1 4.32Å; A101-F356 HydrophobicContact CB-CG 3.91Å
102	D	88.9	Confident	86.4	Confident	92 Å²	92	56.9 Å²	56.9	49%	0.492	28%	0.283	S	S	.	.	H	α-helix	trans	-73.6	-31.2	-177.1	-83.2	-17.7	0	0	0	111.4	D100 A105 W106 A112	D100-D102 VanDerWaalsContact C-N 3.34Å; D100-D102 PolarHBondContact OD1-N 2.87Å; D102-A105 PolarHBondContact O-N 3.01Å; D102-W106 WeakPolarHBondContact O-CB 3.29Å; D102-W106 PolarHBondContact O-N 3.13Å; D102-A112 WeakPolarHBondContact OD1-CB 3.43Å
103	V	90.7	Very high	86.5	Confident	68 Å²	68	58 Å²	58	41%	0.412	29%	0.291	S	S	.	.	H	α-helix	trans	-66.3	-43.5	169.9	179.8	0	0	0	0	110.5	F98 D100 W106 H107	F98-V103 HydrophobicContact CD1-CG1 4.12Å; D100-V103 HydrophobicContact CB-CB 4.39Å; D100-V103 HydrophobicContact CB-CG2 4.02Å; D100-V103 PolarHBondContact O-N 3.21Å; V103-W106 WeakPolarHBondContact O-CB 3.42Å; V103-W106 PolarHBondContact O-N 3.37Å; V103-H107 PolarHBondContact O-N 2.85Å; V103-H107 VanDerWaalsContact O-N 3.13Å; V103-H107 PolarHBondContact O-ND1 2.96Å
104	L	90.9	Very high	86.8	Confident	5 Å²	5	56.6 Å²	56.6	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-63.2	-41.3	173.2	174	58.8	0	0	0	111.9	V87 L89 F98 D100 A101 W106 H107 L108 L352 F356	V87-L104 HydrophobicContact CG2-CD1 3.91Å; L89-L104 HydrophobicContact CD2-CD1 3.46Å; L89-L104 VanDerWaalsContact CD2-CD1 3.46Å; L89-L104 HydrophobicContact CD2-CD2 3.81Å; L89-L104 HydrophobicContact CD2-CG 4.31Å; F98-L104 HydrophobicContact CB-CB 4.32Å; F98-L104 HydrophobicContact CD1-CB 4.11Å; F98-L104 HydrophobicContact CD1-CD1 4.48Å; F98-L104 HydrophobicContact CD2-CB 4.49Å; F98-L104 HydrophobicContact CD2-CD1 3.89Å; F98-L104 HydrophobicContact CE1-CD1 4.34Å; F98-L104 HydrophobicContact CE2-CD1 3.73Å; F98-L104 HydrophobicContact CG-CB 4.06Å; F98-L104 HydrophobicContact CG-CD1 4.27Å; F98-L104 HydrophobicContact CZ-CD1 3.97Å; D100-L104 PolarHBondContact O-N 3.03Å; A101-L104 PolarHBondContact O-N 3.26Å; L104-W106 VanDerWaalsContact C-N 3.32Å; L104-W106 PolarHBondContact O-N 3.47Å; L104-H107 PolarHBondContact O-N 2.8Å; L104-L108 HydrophobicContact CD1-CD1 3.69Å; L104-L108 HydrophobicContact CD1-CG 3.96Å; L104-L108 HydrophobicContact CG-CD1 3.93Å; L104-L108 WeakPolarHBondContact O-CB 3.35Å; L104-L108 PolarHBondContact O-N 2.82Å; L104-L352 HydrophobicContact CD2-CD1 4.26Å; L104-L352 HydrophobicContact CG-CD2 4.45Å; L104-F356 HydrophobicContact CD2-CD2 3.69Å; L104-F356 HydrophobicContact CD2-CE2 4.34Å; L104-F356 HydrophobicContact CD2-CG 4.48Å
105	A	90.4	Very high	87.4	Confident	4 Å²	4	58 Å²	58	3%	0.033	29%	0.291	C	S	.	.	H	α-helix	trans	-62.7	-38.7	176.6	0	0	0	0	0	111.8	R80 A101 D102 G109 C110 L352	R80-A105 PolarHBondContact NH2-O 2.92Å; A101-A105 VanDerWaalsContact O-CB 3.29Å; A101-A105 WeakPolarHBondContact O-CB 3.44Å; A101-A105 PolarHBondContact O-N 2.94Å; D102-A105 PolarHBondContact O-N 3.01Å; A105-G109 PolarHBondContact O-N 3.25Å; A105-C110 PolarHBondContact O-N 3.05Å; A105-L352 HydrophobicContact CB-CD2 3.74Å
106	W	89.4	Confident	87.7	Confident	112 Å²	112	51.5 Å²	51.5	42%	0.424	27%	0.267	S	S	.	.	H	α-helix	trans	-59.8	-54.4	173.1	-170.5	94.9	0	0	0	111.1	P81 D102 V103 L104 L108 G109	P81-W106 HydrophobicContact CG-CZ3 4.4Å; D102-W106 WeakPolarHBondContact O-CB 3.29Å; D102-W106 PolarHBondContact O-N 3.13Å; V103-W106 WeakPolarHBondContact O-CB 3.42Å; V103-W106 PolarHBondContact O-N 3.37Å; L104-W106 VanDerWaalsContact C-N 3.32Å; L104-W106 PolarHBondContact O-N 3.47Å; W106-L108 PolarHBondContact O-N 3.04Å; W106-G109 PolarHBondContact O-N 3.4Å
107	H	90.1	Very high	88	Confident	76 Å²	76	50.8 Å²	50.8	35%	0.352	26%	0.261	S	S	.	.	H	α-helix	trans	-64.5	-36.5	-177.1	-73.4	85.6	0	0	0	113.5	P81 C85 V87 F98 V103 L104 G109	P81-H107 WeakPolarHBondContact CG-O 3.2Å; C85-H107 PolarHBondContact SG-O 3.34Å; V87-H107 HydrophobicContact CG1-CB 4.05Å; F98-H107 HydrophobicContact CE1-CB 4.2Å; F98-H107 AromaticContact CE1-CG 3.93Å; F98-H107 AromaticContact CE1-ND1 3.78Å; F98-H107 HydrophobicContact CZ-CB 4.43Å; V103-H107 PolarHBondContact O-N 2.85Å; V103-H107 VanDerWaalsContact O-N 3.13Å; V103-H107 PolarHBondContact O-ND1 2.96Å; L104-H107 PolarHBondContact O-N 2.8Å; H107-G109 VanDerWaalsContact C-N 3.26Å; H107-G109 PolarHBondContact O-N 2.84Å
108	L	90.8	Very high	88.2	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-9.1	174	-79.4	172.1	0	0	0	114	V87 L104 W106 C110 A159 Y161 L168 L352	V87-L108 HydrophobicContact CG1-CD2 4.47Å; V87-L108 HydrophobicContact CG2-CD2 3.76Å; V87-L108 HydrophobicContact CG2-CG 4Å; L104-L108 HydrophobicContact CD1-CD1 3.69Å; L104-L108 HydrophobicContact CD1-CG 3.96Å; L104-L108 HydrophobicContact CG-CD1 3.93Å; L104-L108 WeakPolarHBondContact O-CB 3.35Å; L104-L108 PolarHBondContact O-N 2.82Å; W106-L108 PolarHBondContact O-N 3.04Å; L108-C110 HydrophobicContact CB-CB 4.17Å; L108-C110 PolarHBondContact O-N 2.95Å; L108-A159 HydrophobicContact CD2-CB 4.24Å; L108-Y161 WeakPolarHBondContact O-CB 3.45Å; L108-L168 HydrophobicContact CD1-CD1 3.78Å; L108-L168 HydrophobicContact CD2-CD1 4.27Å; L108-L352 HydrophobicContact CD1-CD1 4.23Å; L108-L352 HydrophobicContact CD1-CD2 3.89Å
109	G	89.6	Confident	88.6	Confident	8 Å²	8	46 Å²	46	8%	0.082	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	11.5	-170	0	0	0	0	0	114.4	A105 W106 H107	A105-G109 PolarHBondContact O-N 3.25Å; W106-G109 PolarHBondContact O-N 3.4Å; H107-G109 VanDerWaalsContact C-N 3.26Å; H107-G109 PolarHBondContact O-N 2.84Å
110	C	87.4	Confident	89.1	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.007	20%	0.196	C	C	.	.			trans	-88.4	123.6	-173.8	-171.7	0	0	0	0	112	R80 A105 L108 A112 Y161 L352	R80-C110 PolarHBondContact NH2-O 2.87Å; A105-C110 PolarHBondContact O-N 3.05Å; L108-C110 HydrophobicContact CB-CB 4.17Å; L108-C110 PolarHBondContact O-N 2.95Å; C110-A112 PolarHBondContact O-N 2.94Å; C110-Y161 HydrophobicContact CB-CD1 3.7Å; C110-Y161 HydrophobicContact CB-CD2 4.14Å; C110-Y161 HydrophobicContact CB-CE1 3.95Å; C110-Y161 HydrophobicContact CB-CE2 4.38Å; C110-Y161 HydrophobicContact CB-CG 3.81Å; C110-L352 HydrophobicContact CB-CD2 3.93Å
111	P	87	Confident	89.5	Confident	42 Å²	42	33.3 Å²	33.3	27%	0.273	18%	0.175	S	C	.	.			trans	-60.6	133	173.8	-21.8	33.7	0	0	0	111.7	D113 R114	P111-D113 VanDerWaalsContact C-N 3.28Å; P111-D113 WeakPolarHBondContact CB-OD1 3.28Å; P111-D113 PolarHBondContact O-N 3.23Å; P111-R114 HydrophobicContact CB-CB 4.02Å; P111-R114 HydrophobicContact CG-CB 4.44Å; P111-R114 WeakPolarHBondContact O-CB 3.45Å; P111-R114 PolarHBondContact O-N 2.8Å
112	A	79.2	Confident	89.7	Confident	40 Å²	40	33.2 Å²	33.2	33%	0.331	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-24	-173.1	0	0	0	0	0	113.8	D102 C110	D102-A112 WeakPolarHBondContact OD1-CB 3.43Å; C110-A112 PolarHBondContact O-N 2.94Å
113	D	80.4	Confident	89.7	Confident	109 Å²	109	28.8 Å²	28.8	58%	0.583	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-24.3	172.4	67.6	-48.2	0	0	0	112.9	P111 K351	P111-D113 VanDerWaalsContact C-N 3.28Å; P111-D113 WeakPolarHBondContact CB-OD1 3.28Å; P111-D113 PolarHBondContact O-N 3.23Å; D113-K351 WeakPolarHBondContact O-CE 3.44Å
114	R	84.1	Confident	89.5	Confident	78 Å²	78	27 Å²	27	29%	0.294	14%	0.139	S	C	.	.			trans	-78.9	129.5	-170.3	-174	159.4	177.8	-169.6	1.2	112.3	P111 Y161 P163	P111-R114 HydrophobicContact CB-CB 4.02Å; P111-R114 HydrophobicContact CG-CB 4.44Å; P111-R114 WeakPolarHBondContact O-CB 3.45Å; P111-R114 PolarHBondContact O-N 2.8Å; R114-Y161 VanDerWaalsContact CD-OH 3.25Å; R114-Y161 WeakPolarHBondContact CD-OH 3.44Å; R114-Y161 PolarHBondContact NE-OH 3.48Å; R114-Y161 PolarHBondContact NH1-OH 3.08Å; R114-P163 PolarHBondContact NH1-O 2.87Å; R114-P163 PolarHBondContact NH2-O 3.18Å
115	T	88.4	Confident	89.2	Confident	40 Å²	40	28.3 Å²	28.3	25%	0.245	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	141.7	169.2	54.4	0	0	0	0	111.3	R350 K351	T115-R350 CarbonylContact C-O 3.34Å; T115-R350 WeakPolarHBondContact CA-O 3.48Å; T115-K351 HydrophobicContact CG2-CG 4.22Å
116	V	90.9	Very high	88.9	Confident	2 Å²	2	31 Å²	31	1%	0.012	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	163.5	178.4	-58.2	0	0	0	0	111.9	Y161 G166 L168 P349 R350 I355	V116-Y161 HydrophobicContact CG1-CD2 4.15Å; V116-Y161 HydrophobicContact CG1-CE2 3.62Å; V116-G166 VanDerWaalsContact CA-O 3.22Å; V116-G166 WeakPolarHBondContact CA-O 3.49Å; V116-G166 WeakPolarHBondContact CB-O 3.46Å; V116-L168 HydrophobicContact CB-CB 4.43Å; V116-L168 HydrophobicContact CG2-CB 4.08Å; V116-L168 HydrophobicContact CG2-CD2 4.49Å; V116-P349 WeakPolarHBondContact O-CA 3.42Å; V116-R350 PolarHBondContact N-O 2.67Å; V116-R350 PolarHBondContact O-N 3.28Å; V116-I355 HydrophobicContact CG2-CD1 3.5Å; V116-I355 VanDerWaalsContact CG2-CD1 3.5Å
117	K	92	Very high	88.8	Confident	16 Å²	16	26.3 Å²	26.3	7%	0.07	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.6	171.2	-84.2	-74.9	-166.8	166.5	0	109.5	G166 Y167 L168 D197 I341 R347 P349	K117-G166 PolarHBondContact N-O 3.19Å; K117-G166 VanDerWaalsContact N-O 3.08Å; K117-Y167 HydrophobicContact CB-CD1 4.32Å; K117-Y167 CarbonylContact O-C 3.46Å; K117-Y167 WeakPolarHBondContact O-CA 3.49Å; K117-L168 PolarHBondContact O-N 3.41Å; K117-D197 HydrophobicContact CD-CB 3.91Å; K117-D197 WeakPolarHBondContact CD-OD1 3.37Å; K117-D197 WeakPolarHBondContact CD-OD2 3.44Å; K117-D197 WeakPolarHBondContact CE-OD1 3.44Å; K117-D197 IonicContact NZ-OD1 3.19Å; K117-D197 PolarHBondContact NZ-OD1 3.08Å; K117-I341 HydrophobicContact CB-CG2 3.6Å; K117-I341 HydrophobicContact CD-CG2 4.13Å; K117-I341 HydrophobicContact CG-CG2 3.66Å; K117-R347 PolarHBondContact NZ-O 3.08Å; K117-P349 HydrophobicContact CG-CB 4.37Å; K117-P349 HydrophobicContact CG-CG 4.42Å
118	L	94.4	Very high	88.9	Confident	4 Å²	4	23.9 Å²	23.9	2%	0.021	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	119.6	-167.2	-163.3	156.8	0	0	0	111.6	L168 I170 L195 A196 D197 V198 I355	L118-L168 CarbonylContact C-O 3.56Å; L118-L168 WeakPolarHBondContact CA-O 3.41Å; L118-L168 HydrophobicContact CD1-CD2 4.07Å; L118-L168 HydrophobicContact CG-CD2 4.4Å; L118-I170 HydrophobicContact CD1-CG1 4.41Å; L118-I170 HydrophobicContact CD2-CB 4.47Å; L118-I170 HydrophobicContact CD2-CG1 3.65Å; L118-I170 HydrophobicContact CG-CG1 3.99Å; L118-L195 HydrophobicContact CD1-CB 4.01Å; L118-L195 HydrophobicContact CD1-CD2 4.02Å; L118-L195 HydrophobicContact CD2-CB 4.32Å; L118-A196 HydrophobicContact CD2-CB 3.43Å; L118-A196 VanDerWaalsContact CD2-CB 3.43Å; L118-D197 PolarHBondContact N-OD2 3.13Å; L118-D197 WeakPolarHBondContact O-CA 3.44Å; L118-D197 WeakPolarHBondContact O-CB 3.45Å; L118-D197 PolarHBondContact O-N 2.94Å; L118-V198 PolarHBondContact O-N 2.87Å; L118-I355 HydrophobicContact CD1-CD1 4.44Å; L118-I355 HydrophobicContact CD1-CG2 4.03Å
119	I	96.1	Very high	89	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	117.9	177.8	-43.9	-179	0	0	0	108	F137 Y167 L168 L169 I170 V198 I200 V337 I341	I119-F137 HydrophobicContact CD1-CE1 4.34Å; I119-Y167 HydrophobicContact CD1-CD2 3.53Å; I119-Y167 HydrophobicContact CD1-CE2 4.09Å; I119-Y167 HydrophobicContact CD1-CG 3.84Å; I119-Y167 HydrophobicContact CG1-CG 4.5Å; I119-L168 PolarHBondContact N-O 3.22Å; I119-L169 HydrophobicContact CB-CD2 3.99Å; I119-L169 HydrophobicContact CD1-CD2 3.75Å; I119-L169 HydrophobicContact CG1-CD2 4.2Å; I119-L169 CarbonylContact O-C 3.56Å; I119-L169 WeakPolarHBondContact O-CA 3.34Å; I119-I170 PolarHBondContact O-N 3.31Å; I119-V198 WeakPolarHBondContact CA-O 3.02Å; I119-I200 HydrophobicContact CG2-CD1 3.84Å; I119-I200 HydrophobicContact CG2-CG1 4.31Å; I119-V337 HydrophobicContact CD1-CG1 3.97Å; I119-V337 HydrophobicContact CG2-CG1 4.32Å; I119-I341 HydrophobicContact CD1-CD1 3.32Å; I119-I341 HydrophobicContact CG1-CD1 3.56Å
120	A	96	Very high	89.2	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	152.4	171.8	0	0	0	0	0	111.4	I170 V192 A196 V198 V199 I200	A120-I170 WeakPolarHBondContact CA-O 3.42Å; A120-I170 HydrophobicContact CB-CB 4.09Å; A120-I170 HydrophobicContact CB-CG2 4.37Å; A120-V192 HydrophobicContact CB-CG1 3.43Å; A120-V192 VanDerWaalsContact CB-CG1 3.43Å; A120-A196 HydrophobicContact CB-CB 4.02Å; A120-V198 PolarHBondContact N-O 3.45Å; A120-V199 HydrophobicContact CB-CG2 4.44Å; A120-V199 CarbonylContact O-C 3.42Å; A120-V199 WeakPolarHBondContact O-CA 3.48Å; A120-I200 PolarHBondContact O-N 3.07Å
121	I	95.4	Very high	89.5	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	140.7	167.1	-165.5	157.3	0	0	0	110.5	K129 T132 L133 I170 D171 T172 I200 R202	I121-K129 HydrophobicContact CD1-CB 4.3Å; I121-K129 HydrophobicContact CG1-CB 4.2Å; I121-K129 HydrophobicContact CG1-CG 4.32Å; I121-K129 HydrophobicContact CG2-CB 3.96Å; I121-T132 HydrophobicContact CD1-CG2 3.84Å; I121-L133 HydrophobicContact CB-CD1 4.42Å; I121-L133 HydrophobicContact CB-CD2 4.21Å; I121-L133 HydrophobicContact CB-CG 4.28Å; I121-L133 HydrophobicContact CD1-CD2 4.42Å; I121-L133 HydrophobicContact CD1-CG 4.33Å; I121-L133 HydrophobicContact CG2-CD1 3.59Å; I121-L133 HydrophobicContact CG2-CD2 4.24Å; I121-L133 HydrophobicContact CG2-CG 3.81Å; I121-I170 PolarHBondContact N-O 3.44Å; I121-D171 HydrophobicContact CG2-CB 4.49Å; I121-D171 VanDerWaalsContact CG2-OD1 3.27Å; I121-D171 WeakPolarHBondContact CG2-OD1 3.35Å; I121-T172 WeakPolarHBondContact O-CG2 3.33Å; I121-T172 PolarHBondContact O-OG1 3.45Å; I121-I200 CarbonylContact C-O 3.49Å; I121-I200 WeakPolarHBondContact CA-O 3.35Å; I121-I200 HydrophobicContact CB-CB 4.4Å; I121-I200 HydrophobicContact CD1-CB 4.45Å; I121-I200 HydrophobicContact CD1-CG2 4.15Å; I121-I200 HydrophobicContact CG1-CB 4.1Å; I121-I200 HydrophobicContact CG1-CG2 4.17Å; I121-R202 HydrophobicContact CD1-CB 3.99Å; I121-R202 HydrophobicContact CG1-CB 4.05Å
122	V	92.5	Very high	90	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	164.5	178.2	-61.4	0	0	0	0	109.3	T172 L175 L189 V192 F193 V199 I200 Y201 R202	V122-T172 HydrophobicContact CG1-CG2 4.29Å; V122-L175 HydrophobicContact CB-CD1 4.12Å; V122-L189 HydrophobicContact CB-CD2 4.48Å; V122-L189 HydrophobicContact CG1-CD2 3.84Å; V122-V192 HydrophobicContact CG1-CG1 4.44Å; V122-F193 HydrophobicContact CG1-CE2 4.43Å; V122-V199 HydrophobicContact CG1-CG1 4.14Å; V122-V199 HydrophobicContact CG2-CG1 3.63Å; V122-I200 PolarHBondContact N-O 3.13Å; V122-Y201 HydrophobicContact CG2-CD2 3.9Å; V122-Y201 HydrophobicContact CG2-CG 4.49Å; V122-Y201 WeakPolarHBondContact O-CA 3.1Å; V122-R202 PolarHBondContact O-N 3.5Å
123	G	89.2	Confident	90.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	144.1	-177.9	-172.4	0	0	0	0	0	111.1	L175	G123-L175 WeakPolarHBondContact O-CG 3.33Å; G123-L175 PolarHBondContact O-N 3.46Å
124	N	86.3	Confident	91.5	Very high	30 Å²	30	18.7 Å²	18.7	16%	0.16	11%	0.114	C	C	.	.			trans	-73.5	176.9	-170.9	-59	-33.7	0	0	0	112.7	D127 K129 L176	N124-D127 HydrophobicContact CB-CB 4.49Å; N124-D127 WeakPolarHBondContact CB-OD2 3.47Å; N124-D127 PolarHBondContact N-OD2 3.34Å; N124-K129 PolarHBondContact O-NZ 3.06Å; N124-L176 HydrophobicContact CB-CB 4.31Å; N124-L176 WeakPolarHBondContact OD1-CB 3.42Å; N124-L176 WeakPolarHBondContact OD1-CD1 3.38Å; N124-L176 VanDerWaalsContact OD1-CG 3.24Å; N124-L176 WeakPolarHBondContact OD1-CG 3.42Å
125	T	84.2	Confident	92	Very high	32 Å²	32	18.3 Å²	18.3	20%	0.196	12%	0.115	C	C	.	.	S	Bend	trans	-73.6	139.8	165.4	-56.5	0	0	0	0	108.4	D127 G174	T125-D127 VanDerWaalsContact C-N 3.27Å; T125-D127 PolarHBondContact O-N 2.99Å; T125-G174 WeakPolarHBondContact OG1-CA 3.43Å
126	G	83.7	Confident	92.3	Very high	61 Å²	61	17 Å²	17	63%	0.629	11%	0.109	S	C	*	.	S	Bend	trans	81.3	-19	-175.2	0	0	0	0	0	116.3	G128	G126-G128 PolarHBondContact O-N 2.86Å
127	D	88.2	Confident	92.5	Very high	14 Å²	14	18.2 Å²	18.2	8%	0.075	11%	0.114	C	C	.	.	S	Bend	trans	-61.1	-4.5	-177.8	-100.4	-27	0	0	0	115.6	N124 T125 R202 M204	N124-D127 HydrophobicContact CB-CB 4.49Å; N124-D127 WeakPolarHBondContact CB-OD2 3.47Å; N124-D127 PolarHBondContact N-OD2 3.34Å; T125-D127 VanDerWaalsContact C-N 3.27Å; T125-D127 PolarHBondContact O-N 2.99Å; D127-R202 HydrophobicContact CB-CG 4.29Å; D127-R202 WeakPolarHBondContact O-CG 3.35Å; D127-R202 PolarHBondContact O-NE 3.44Å; D127-R202 PolarHBondContact O-NH2 3.28Å; D127-M204 WeakPolarHBondContact O-CG 3.2Å; D127-M204 WeakPolarHBondContact OD1-CB 3.38Å; D127-M204 PolarHBondContact OD1-N 3.08Å
128	G	90.7	Very high	92.5	Very high	25 Å²	25	18.1 Å²	18.1	26%	0.258	12%	0.115	S	C	.	.			trans	80	30.3	177.1	0	0	0	0	0	115.5	G126 H131 T132	G126-G128 PolarHBondContact O-N 2.86Å; G128-H131 PolarHBondContact O-N 3.21Å; G128-T132 WeakPolarHBondContact O-CB 3.14Å; G128-T132 PolarHBondContact O-N 3.08Å; G128-T132 PolarHBondContact O-OG1 3.31Å
129	K	92.9	Very high	92.2	Very high	11 Å²	11	21.6 Å²	21.6	5%	0.048	15%	0.152	C	C	.	.	H	α-helix	trans	-53.5	-61	-179.3	-61.8	-169.2	-56.7	-59.8	0	113.6	I121 N124 H131 T132 L133 T172 G174 R202	I121-K129 HydrophobicContact CD1-CB 4.3Å; I121-K129 HydrophobicContact CG1-CB 4.2Å; I121-K129 HydrophobicContact CG1-CG 4.32Å; I121-K129 HydrophobicContact CG2-CB 3.96Å; N124-K129 PolarHBondContact O-NZ 3.06Å; K129-H131 VanDerWaalsContact C-N 3.3Å; K129-H131 PolarHBondContact O-N 3.01Å; K129-T132 WeakPolarHBondContact O-CA 3.36Å; K129-T132 VanDerWaalsContact O-CB 3.27Å; K129-T132 WeakPolarHBondContact O-CB 3.38Å; K129-T132 PolarHBondContact O-N 3.35Å; K129-L133 PolarHBondContact O-N 2.88Å; K129-L133 VanDerWaalsContact O-N 3.09Å; K129-T172 WeakPolarHBondContact CE-O 3.48Å; K129-G174 VanDerWaalsContact NZ-CA 3.32Å; K129-R202 HydrophobicContact CG-CB 4.38Å; K129-R202 HydrophobicContact CG-CG 4.41Å
130	S	94.4	Very high	91.9	Very high	5 Å²	5	22.9 Å²	22.9	4%	0.035	17%	0.165	C	C	.	.	H	α-helix	trans	-58.3	-41.4	-179.5	-29	0	0	0	0	111.8	T132 L133 N134 T154 D171	S130-T132 PolarHBondContact O-N 3.15Å; S130-L133 PolarHBondContact O-N 2.72Å; S130-N134 VanDerWaalsContact O-CG 3.26Å; S130-N134 PolarHBondContact O-N 3.29Å; S130-N134 PolarHBondContact O-OD1 3.39Å; S130-T154 PolarHBondContact OG-OG1 2.95Å; S130-T154 VanDerWaalsContact OG-OG1 3.09Å; S130-D171 WeakPolarHBondContact CB-OD2 3.42Å; S130-D171 PolarHBondContact OG-OD2 2.95Å
131	H	94.6	Very high	91.6	Very high	74 Å²	74	25.3 Å²	25.3	34%	0.343	19%	0.185	S	C	.	.	H	α-helix	trans	-61.5	-42.1	173.9	180	82.2	0	0	0	112.1	G128 K129 L133 N134 Q135 T146	G128-H131 PolarHBondContact O-N 3.21Å; K129-H131 VanDerWaalsContact C-N 3.3Å; K129-H131 PolarHBondContact O-N 3.01Å; H131-L133 VanDerWaalsContact C-N 3.33Å; H131-L133 PolarHBondContact O-N 3.46Å; H131-N134 PolarHBondContact O-N 2.94Å; H131-Q135 WeakPolarHBondContact O-CB 3.31Å; H131-Q135 WeakPolarHBondContact O-CG 3.47Å; H131-Q135 PolarHBondContact O-N 3.21Å; H131-T146 HydrophobicContact CB-CG2 3.9Å
132	T	96	Very high	91.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.1	-42	175.3	-54.9	0	0	0	0	111.2	I121 G128 K129 S130 A136 R202 F330 L333	I121-T132 HydrophobicContact CD1-CG2 3.84Å; G128-T132 WeakPolarHBondContact O-CB 3.14Å; G128-T132 PolarHBondContact O-N 3.08Å; G128-T132 PolarHBondContact O-OG1 3.31Å; K129-T132 WeakPolarHBondContact O-CA 3.36Å; K129-T132 VanDerWaalsContact O-CB 3.27Å; K129-T132 WeakPolarHBondContact O-CB 3.38Å; K129-T132 PolarHBondContact O-N 3.35Å; S130-T132 PolarHBondContact O-N 3.15Å; T132-A136 WeakPolarHBondContact O-CB 3.29Å; T132-A136 PolarHBondContact O-N 3.4Å; T132-R202 VanDerWaalsContact OG1-CD 3.31Å; T132-R202 WeakPolarHBondContact OG1-CD 3.05Å; T132-R202 VanDerWaalsContact OG1-CZ 3.3Å; T132-R202 PolarHBondContact OG1-NE 3.25Å; T132-R202 PolarHBondContact OG1-NH1 3.28Å; T132-F330 HydrophobicContact CG2-CD1 4.14Å; T132-F330 HydrophobicContact CG2-CE1 3.91Å; T132-L333 HydrophobicContact CG2-CD2 3.64Å
133	L	95.8	Very high	91.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66.1	-44.4	176.3	-69.8	-179.4	0	0	0	112.5	I121 K129 S130 H131 Q135 F137 C138 F144 D171	I121-L133 HydrophobicContact CB-CD1 4.42Å; I121-L133 HydrophobicContact CB-CD2 4.21Å; I121-L133 HydrophobicContact CB-CG 4.28Å; I121-L133 HydrophobicContact CD1-CD2 4.42Å; I121-L133 HydrophobicContact CD1-CG 4.33Å; I121-L133 HydrophobicContact CG2-CD1 3.59Å; I121-L133 HydrophobicContact CG2-CD2 4.24Å; I121-L133 HydrophobicContact CG2-CG 3.81Å; K129-L133 PolarHBondContact O-N 2.88Å; K129-L133 VanDerWaalsContact O-N 3.09Å; S130-L133 PolarHBondContact O-N 2.72Å; H131-L133 VanDerWaalsContact C-N 3.33Å; H131-L133 PolarHBondContact O-N 3.46Å; L133-Q135 PolarHBondContact O-N 2.87Å; L133-F137 HydrophobicContact CD2-CD2 3.84Å; L133-F137 HydrophobicContact CD2-CE2 4.05Å; L133-F137 PolarHBondContact O-N 2.8Å; L133-C138 PolarHBondContact O-N 2.82Å; L133-F144 HydrophobicContact CB-CD2 3.92Å; L133-F144 HydrophobicContact CB-CE2 4.03Å; L133-F144 HydrophobicContact CD1-CD2 3.96Å; L133-F144 HydrophobicContact CD1-CE2 3.64Å; L133-F144 HydrophobicContact CD1-CZ 4.01Å; L133-F144 HydrophobicContact CG-CE2 4.49Å; L133-D171 HydrophobicContact CD1-CB 3.83Å
134	N	95.7	Very high	91.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58.3	-49.8	178.2	-68.4	-9.5	0	0	0	111	S130 H131 C138 G139 G140 A141 D142 V143 F144	S130-N134 VanDerWaalsContact O-CG 3.26Å; S130-N134 PolarHBondContact O-N 3.29Å; S130-N134 PolarHBondContact O-OD1 3.39Å; H131-N134 PolarHBondContact O-N 2.94Å; N134-C138 CarbonylContact O-C 3.36Å; N134-C138 WeakPolarHBondContact O-CA 3.46Å; N134-C138 WeakPolarHBondContact O-CB 3.34Å; N134-C138 PolarHBondContact O-N 3.35Å; N134-C138 VanDerWaalsContact O-N 3.14Å; N134-G139 PolarHBondContact O-N 2.93Å; N134-G140 WeakPolarHBondContact O-CA 3.42Å; N134-G140 PolarHBondContact O-N 3.29Å; N134-A141 VanDerWaalsContact CB-O 3.3Å; N134-A141 WeakPolarHBondContact CB-O 3.37Å; N134-D142 WeakPolarHBondContact ND2-CA 3.37Å; N134-D142 PolarHBondContact ND2-OD1 3.45Å; N134-V143 PolarHBondContact OD1-N 3.45Å; N134-F144 PolarHBondContact ND2-O 3.33Å; N134-F144 PolarHBondContact OD1-N 3.31Å
135	Q	95.3	Very high	91.7	Very high	70 Å²	70	34.8 Å²	34.8	33%	0.327	24%	0.24	S	C	.	.	H	α-helix	trans	-77.1	-39.5	-176.6	-60.2	-57.2	-40.9	0	0	113.6	H131 L133 G140 F330	H131-Q135 WeakPolarHBondContact O-CB 3.31Å; H131-Q135 WeakPolarHBondContact O-CG 3.47Å; H131-Q135 PolarHBondContact O-N 3.21Å; L133-Q135 PolarHBondContact O-N 2.87Å; Q135-G140 PolarHBondContact NE2-O 2.77Å; Q135-F330 HydrophobicContact CB-CD2 3.38Å; Q135-F330 HydrophobicContact CB-CE2 3.4Å; Q135-F330 HydrophobicContact CB-CG 4.2Å; Q135-F330 HydrophobicContact CB-CZ 4.25Å; Q135-F330 HydrophobicContact CG-CD2 4.32Å; Q135-F330 HydrophobicContact CG-CE2 3.89Å
136	A	94.4	Very high	92.1	Very high	13 Å²	13	35.9 Å²	35.9	11%	0.107	25%	0.247	C	C	.	.	H	α-helix	trans	-80.2	-28.5	-176.1	0	0	0	0	0	114.3	T132 F330 L333	T132-A136 WeakPolarHBondContact O-CB 3.29Å; T132-A136 PolarHBondContact O-N 3.4Å; A136-F330 HydrophobicContact CB-CB 3.82Å; A136-F330 HydrophobicContact CB-CD1 4.33Å; A136-F330 HydrophobicContact CB-CG 4.23Å; A136-L333 HydrophobicContact CB-CD2 4.29Å
137	F	94.9	Very high	92.2	Very high	27 Å²	27	35.8 Å²	35.8	12%	0.118	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.8	-30.8	-172.1	-54.7	-70.3	0	0	0	114.4	I119 L133 G139 L162 L169 I200 A334 V337	I119-F137 HydrophobicContact CD1-CE1 4.34Å; L133-F137 HydrophobicContact CD2-CD2 3.84Å; L133-F137 HydrophobicContact CD2-CE2 4.05Å; L133-F137 PolarHBondContact O-N 2.8Å; F137-G139 VanDerWaalsContact C-N 3.28Å; F137-G139 PolarHBondContact O-N 2.89Å; F137-L162 HydrophobicContact CB-CD1 3.9Å; F137-L169 HydrophobicContact CB-CD1 3.92Å; F137-L169 HydrophobicContact CB-CD2 4.17Å; F137-L169 HydrophobicContact CD2-CD2 4.24Å; F137-L169 HydrophobicContact CG-CD2 4.21Å; F137-I200 HydrophobicContact CE2-CD1 3.65Å; F137-I200 HydrophobicContact CZ-CD1 3.83Å; F137-A334 HydrophobicContact CE1-CB 4.36Å; F137-V337 HydrophobicContact CE1-CB 4.17Å; F137-V337 HydrophobicContact CE1-CG1 3.9Å; F137-V337 HydrophobicContact CZ-CB 4.04Å; F137-V337 HydrophobicContact CZ-CG1 3.84Å; F137-V337 HydrophobicContact CZ-CG2 4.18Å
138	C	92.7	Very high	92.1	Very high	14 Å²	14	41.9 Å²	41.9	10%	0.095	28%	0.277	C	S	.	.	S	Bend	trans	-89.3	11.7	179.1	-48.7	0	0	0	0	113.5	L133 N134 G140 A141 V143	L133-C138 PolarHBondContact O-N 2.82Å; N134-C138 CarbonylContact O-C 3.36Å; N134-C138 WeakPolarHBondContact O-CA 3.46Å; N134-C138 WeakPolarHBondContact O-CB 3.34Å; N134-C138 PolarHBondContact O-N 3.35Å; N134-C138 VanDerWaalsContact O-N 3.14Å; C138-G140 PolarHBondContact O-N 2.86Å; C138-A141 WeakPolarHBondContact O-CB 3.26Å; C138-A141 PolarHBondContact O-N 3.4Å; C138-V143 HydrophobicContact CB-CB 4.25Å; C138-V143 HydrophobicContact CB-CG2 3.67Å
139	G	88.2	Confident	91.7	Very high	78 Å²	78	43.8 Å²	43.8	80%	0.804	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	22.7	179.9	0	0	0	0	0	114.3	N134 F137	N134-G139 PolarHBondContact O-N 2.93Å; F137-G139 VanDerWaalsContact C-N 3.28Å; F137-G139 PolarHBondContact O-N 2.89Å
140	G	87.9	Confident	90.8	Very high	26 Å²	26	52 Å²	52	27%	0.268	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	89	-2.5	-177	0	0	0	0	0	115.1	N134 Q135 C138	N134-G140 WeakPolarHBondContact O-CA 3.42Å; N134-G140 PolarHBondContact O-N 3.29Å; Q135-G140 PolarHBondContact NE2-O 2.77Å; C138-G140 PolarHBondContact O-N 2.86Å
141	A	90.1	Very high	89.9	Confident	52 Å²	52	54.9 Å²	54.9	43%	0.43	35%	0.348	S	S	.	.			trans	-74.2	137.9	174.8	0	0	0	0	0	111.6	N134 C138 V143	N134-A141 VanDerWaalsContact CB-O 3.3Å; N134-A141 WeakPolarHBondContact CB-O 3.37Å; C138-A141 WeakPolarHBondContact O-CB 3.26Å; C138-A141 PolarHBondContact O-N 3.4Å; A141-V143 HydrophobicContact CB-CG2 4.33Å; A141-V143 PolarHBondContact O-N 3.16Å
142	D	89.2	Confident	89	Confident	110 Å²	110	53.9 Å²	53.9	59%	0.588	35%	0.348	S	S	*	.			trans	-77.6	71.2	179.1	-77.3	-51.6	0	0	0	112.6	N134	N134-D142 WeakPolarHBondContact ND2-CA 3.37Å; N134-D142 PolarHBondContact ND2-OD1 3.45Å
143	V	92.6	Very high	88.4	Confident	16 Å²	16	56.7 Å²	56.7	10%	0.097	37%	0.367	C	S	.	.			trans	-73.8	-41.9	177.1	175.4	0	0	0	0	110.9	P84 S86 N134 C138 A141 A160	P84-V143 HydrophobicContact CB-CG1 4.16Å; P84-V143 HydrophobicContact CB-CG2 3.88Å; P84-V143 HydrophobicContact CG-CG2 3.77Å; S86-V143 WeakPolarHBondContact CB-O 3.36Å; S86-V143 PolarHBondContact OG-O 2.74Å; N134-V143 PolarHBondContact OD1-N 3.45Å; C138-V143 HydrophobicContact CB-CB 4.25Å; C138-V143 HydrophobicContact CB-CG2 3.67Å; A141-V143 HydrophobicContact CB-CG2 4.33Å; A141-V143 PolarHBondContact O-N 3.16Å; V143-A160 HydrophobicContact CG1-CB 3.55Å
144	F	93.8	Very high	87.5	Confident	3 Å²	3	57 Å²	57	1%	0.013	37%	0.368	C	S	.	.	S	Bend	trans	-98.1	140.4	168.8	-61.7	-84.2	0	0	0	110	L133 N134 T146 W158 A160 L169 D171	L133-F144 HydrophobicContact CB-CD2 3.92Å; L133-F144 HydrophobicContact CB-CE2 4.03Å; L133-F144 HydrophobicContact CD1-CD2 3.96Å; L133-F144 HydrophobicContact CD1-CE2 3.64Å; L133-F144 HydrophobicContact CD1-CZ 4.01Å; L133-F144 HydrophobicContact CG-CE2 4.49Å; N134-F144 PolarHBondContact ND2-O 3.33Å; N134-F144 PolarHBondContact OD1-N 3.31Å; F144-T146 PolarHBondContact O-N 3.28Å; F144-W158 HydrophobicContact CD1-CB 3.98Å; F144-W158 HydrophobicContact CE1-CB 3.91Å; F144-A160 HydrophobicContact CE1-CB 4.08Å; F144-A160 HydrophobicContact CE2-CB 3.77Å; F144-A160 HydrophobicContact CZ-CB 3.42Å; F144-A160 VanDerWaalsContact CZ-CB 3.42Å; F144-L169 HydrophobicContact CE2-CB 3.9Å; F144-L169 HydrophobicContact CE2-CD1 3.99Å; F144-L169 HydrophobicContact CZ-CB 3.82Å; F144-D171 HydrophobicContact CD1-CB 3.68Å; F144-D171 HydrophobicContact CE1-CB 3.77Å; F144-D171 HydrophobicContact CG-CB 4.23Å; F144-D171 HydrophobicContact CZ-CB 4.39Å
145	V	91.1	Very high	86.9	Confident	100 Å²	100	59.7 Å²	59.7	61%	0.606	38%	0.382	S	S	*	.			trans	-66.4	128.8	-178.8	-179.3	0	0	0	0	110.6
146	T	91	Very high	86.4	Confident	55 Å²	55	56.4 Å²	56.4	34%	0.337	37%	0.367	S	S	.	.			trans	-107.3	160.3	173.1	62.2	0	0	0	0	110.8	H131 F144	H131-T146 HydrophobicContact CB-CG2 3.9Å; F144-T146 PolarHBondContact O-N 3.28Å
147	S	87.2	Confident	86.2	Confident	59 Å²	59	56.1 Å²	56.1	41%	0.413	36%	0.363	S	S	.	.			trans	-149.2	142.9	176.3	-176.9	0	0	0	0	110.3	S149	S147-S149 PolarHBondContact O-N 3.2Å; S147-S149 WeakPolarHBondContact OG-CB 3.3Å; S147-S149 PolarHBondContact OG-N 2.91Å
148	P	84.7	Confident	86.2	Confident	142 Å²	142	58.1 Å²	58.1	92%	0.922	37%	0.37	S	S	*	.	S	Bend	trans	-79	-1.6	169.9	34.3	-36.2	0	0	0	113
149	S	82.3	Confident	86.3	Confident	65 Å²	65	57.5 Å²	57.5	46%	0.455	37%	0.366	S	S	.	.	S	Bend	trans	-74.3	150.8	177.7	-171.4	0	0	0	0	112.3	S147 A151	S147-S149 PolarHBondContact O-N 3.2Å; S147-S149 WeakPolarHBondContact OG-CB 3.3Å; S147-S149 PolarHBondContact OG-N 2.91Å; S149-A151 VanDerWaalsContact C-N 3.28Å; S149-A151 PolarHBondContact OG-N 3.31Å
150	Q	75.2	Confident	86.6	Confident	183 Å²	183	53.8 Å²	53.8	86%	0.855	33%	0.328	S	S	*	.	S	Bend	trans	-77.8	-13.1	170.5	-63.9	-179.7	1.3	0	0	112.9
151	A	75.1	Confident	86.9	Confident	65 Å²	65	52.6 Å²	52.6	54%	0.537	32%	0.315	S	S	.	.	S	Bend	trans	-69.5	154.2	171.2	0	0	0	0	0	111	S149 C153	S149-A151 VanDerWaalsContact C-N 3.28Å; S149-A151 PolarHBondContact OG-N 3.31Å; A151-C153 PolarHBondContact O-N 3.4Å
152	T	76.2	Confident	87.1	Confident	53 Å²	53	50.5 Å²	50.5	33%	0.325	30%	0.297	S	S	.	.			trans	-66.7	122.5	176.4	-161.8	0	0	0	0	111	T154 I155	T152-T154 PolarHBondContact OG1-O 3.22Å; T152-I155 HydrophobicContact CG2-CG1 4.19Å
153	C	82.9	Confident	87	Confident	59 Å²	59	47.3 Å²	47.3	40%	0.399	28%	0.282	S	S	.	.	S	Bend	trans	-86.2	-38.3	172.6	51.2	0	0	0	0	111.9	A151	A151-C153 PolarHBondContact O-N 3.4Å
154	T	78.1	Confident	86.7	Confident	6 Å²	6	55.2 Å²	55.2	4%	0.037	32%	0.315	C	S	.	.			trans	-83.3	121.2	171.1	-44.6	0	0	0	0	109.5	S130 T152 W158 D171	S130-T154 PolarHBondContact OG-OG1 2.95Å; S130-T154 VanDerWaalsContact OG-OG1 3.09Å; T152-T154 PolarHBondContact OG1-O 3.22Å; T154-W158 HydrophobicContact CG2-CG 4.43Å; T154-D171 HydrophobicContact CG2-CB 4.44Å; T154-D171 WeakPolarHBondContact CG2-OD2 3.37Å; T154-D171 PolarHBondContact OG1-OD2 3.4Å
155	I	82.3	Confident	86.3	Confident	58 Å²	58	59.5 Å²	59.5	30%	0.297	34%	0.335	S	S	.	.			trans	-113.4	131.2	172	-64.8	173.6	0	0	0	107.7	E92 T152 W158	E92-I155 HydrophobicContact CB-CG2 3.76Å; E92-I155 HydrophobicContact CG-CG2 4.45Å; T152-I155 HydrophobicContact CG2-CG1 4.19Å; I155-W158 PolarHBondContact O-NE1 3.45Å
156	G	84.8	Confident	86.2	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.31	C	S	.	.	S	Bend	trans	69.5	-131.2	-177.6	0	0	0	0	0	113.5	I90 E173	I90-G156 WeakPolarHBondContact O-CA 3.31Å; G156-E173 PolarHBondContact N-OE2 2.66Å; G156-E173 PolarHBondContact O-N 3.14Å
157	I	90.8	Very high	86.3	Confident	7 Å²	7	54 Å²	54	4%	0.036	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	135.4	176.6	-68.3	-178.6	0	0	0	110.3	R88 L89 I90 I170 L188 V192	R88-I157 CarbonylContact C-O 3.04Å; L89-I157 HydrophobicContact CB-CG2 4.27Å; L89-I157 HydrophobicContact CD1-CG2 4.28Å; L89-I157 PolarHBondContact N-O 3.46Å; I90-I157 HydrophobicContact CB-CB 4.13Å; I90-I157 HydrophobicContact CD1-CB 4.42Å; I90-I157 HydrophobicContact CD1-CD1 3.83Å; I90-I157 HydrophobicContact CD1-CG1 4.41Å; I90-I157 HydrophobicContact CG1-CB 4.22Å; I90-I157 PolarHBondContact N-O 2.94Å; I90-I157 PolarHBondContact O-N 3.35Å; I157-I170 HydrophobicContact CG2-CG2 3.58Å; I157-L188 HydrophobicContact CD1-CD1 3.62Å; I157-L188 HydrophobicContact CD1-CG 3.87Å; I157-L188 HydrophobicContact CG1-CD1 3.82Å; I157-L188 HydrophobicContact CG1-CD2 4.22Å; I157-L188 HydrophobicContact CG1-CG 4Å; I157-V192 HydrophobicContact CD1-CG2 3.42Å; I157-V192 VanDerWaalsContact CD1-CG2 3.42Å; I157-V192 HydrophobicContact CG1-CG2 4.42Å
158	W	94.2	Very high	86.7	Confident	70 Å²	70	51.3 Å²	51.3	27%	0.265	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	147.9	174.6	-68.1	68	0	0	0	110.9	V87 R88 F144 T154 I155 I170 D171	V87-W158 CarbonylContact O-C 3.57Å; V87-W158 VanDerWaalsContact O-CA 3.28Å; V87-W158 WeakPolarHBondContact O-CA 3.47Å; R88-W158 HydrophobicContact CB-CD2 3.9Å; R88-W158 HydrophobicContact CB-CE3 4.15Å; R88-W158 HydrophobicContact CB-CG 4.49Å; R88-W158 HydrophobicContact CB-CH2 4.1Å; R88-W158 HydrophobicContact CB-CZ2 3.84Å; R88-W158 HydrophobicContact CB-CZ3 4.25Å; R88-W158 HydrophobicContact CG-CD2 4.29Å; R88-W158 HydrophobicContact CG-CZ2 4.13Å; F144-W158 HydrophobicContact CD1-CB 3.98Å; F144-W158 HydrophobicContact CE1-CB 3.91Å; T154-W158 HydrophobicContact CG2-CG 4.43Å; I155-W158 PolarHBondContact O-NE1 3.45Å; W158-I170 CarbonylContact O-C 3.55Å; W158-I170 VanDerWaalsContact O-CA 3.3Å; W158-I170 WeakPolarHBondContact O-CA 3.36Å; W158-D171 HydrophobicContact CB-CB 4.46Å; W158-D171 PolarHBondContact N-O 3.43Å; W158-D171 PolarHBondContact O-N 2.73Å
159	A	94.6	Very high	87.2	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	143.6	178.6	0	0	0	0	0	111.9	S86 V87 L89 L108 L168 L169 I170	S86-A159 CarbonylContact C-O 3.5Å; S86-A159 VanDerWaalsContact CA-O 3.23Å; S86-A159 WeakPolarHBondContact CA-O 3.46Å; V87-A159 HydrophobicContact CG2-CB 4.33Å; V87-A159 PolarHBondContact N-O 3.01Å; V87-A159 PolarHBondContact O-N 3.31Å; L89-A159 HydrophobicContact CD1-CB 3.65Å; L89-A159 HydrophobicContact CD2-CB 3.98Å; L89-A159 HydrophobicContact CG-CB 3.61Å; L108-A159 HydrophobicContact CD2-CB 4.24Å; A159-L168 HydrophobicContact CB-CD1 4.26Å; A159-L169 CarbonylContact C-O 3.56Å; A159-L169 VanDerWaalsContact CA-O 3.23Å; A159-L169 WeakPolarHBondContact CA-O 3.44Å; A159-I170 HydrophobicContact CB-CD1 3.47Å; A159-I170 VanDerWaalsContact CB-CD1 3.47Å
160	A	95.2	Very high	87.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	141.7	171.8	0	0	0	0	0	111.2	C85 V143 F144 L169	C85-A160 VanDerWaalsContact O-CA 3.29Å; C85-A160 WeakPolarHBondContact O-CA 3.16Å; C85-A160 VanDerWaalsContact O-CB 3.28Å; C85-A160 WeakPolarHBondContact O-CB 3.46Å; V143-A160 HydrophobicContact CG1-CB 3.55Å; F144-A160 HydrophobicContact CE1-CB 4.08Å; F144-A160 HydrophobicContact CE2-CB 3.77Å; F144-A160 HydrophobicContact CZ-CB 3.42Å; F144-A160 VanDerWaalsContact CZ-CB 3.42Å; A160-L169 PolarHBondContact N-O 3.09Å; A160-L169 PolarHBondContact O-N 3.37Å
161	Y	94.5	Very high	88.7	Confident	1 Å²	1	33.2 Å²	33.2	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	133.1	-176.9	174.5	-116.8	0	0	0	112.4	P83 P84 L108 C110 R114 V116 P163 Y167	P83-Y161 HydrophobicContact CB-CD1 4.19Å; P83-Y161 HydrophobicContact CG-CD1 4.38Å; P84-Y161 WeakPolarHBondContact CA-O 3.26Å; L108-Y161 WeakPolarHBondContact O-CB 3.45Å; C110-Y161 HydrophobicContact CB-CD1 3.7Å; C110-Y161 HydrophobicContact CB-CD2 4.14Å; C110-Y161 HydrophobicContact CB-CE1 3.95Å; C110-Y161 HydrophobicContact CB-CE2 4.38Å; C110-Y161 HydrophobicContact CB-CG 3.81Å; R114-Y161 VanDerWaalsContact CD-OH 3.25Å; R114-Y161 WeakPolarHBondContact CD-OH 3.44Å; R114-Y161 PolarHBondContact NE-OH 3.48Å; R114-Y161 PolarHBondContact NH1-OH 3.08Å; V116-Y161 HydrophobicContact CG1-CD2 4.15Å; V116-Y161 HydrophobicContact CG1-CE2 3.62Å; Y161-P163 HydrophobicContact CD1-CG 4.14Å; Y161-P163 HydrophobicContact CE1-CB 3.93Å; Y161-P163 HydrophobicContact CE1-CG 3.91Å; Y161-Y167 VanDerWaalsContact CD2-O 3.32Å; Y161-Y167 WeakPolarHBondContact CD2-O 3.22Å
162	L	92.9	Very high	89.5	Confident	9 Å²	9	30.3 Å²	30.3	5%	0.047	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	106.9	177.3	-73.8	177.4	0	0	0	111.1	P84 F137 K164 G166 Y167 L169	P84-L162 HydrophobicContact CB-CD2 4.06Å; P84-L162 HydrophobicContact CG-CD2 4.37Å; F137-L162 HydrophobicContact CB-CD1 3.9Å; L162-K164 PolarHBondContact O-N 3.4Å; L162-G166 WeakPolarHBondContact O-CA 3.36Å; L162-G166 PolarHBondContact O-N 2.76Å; L162-Y167 HydrophobicContact CD1-CD2 4.25Å; L162-Y167 PolarHBondContact N-O 2.9Å; L162-Y167 PolarHBondContact O-N 2.72Å; L162-L169 HydrophobicContact CD1-CD1 3.83Å; L162-L169 HydrophobicContact CD1-CD2 4.02Å; L162-L169 HydrophobicContact CD1-CG 3.93Å; L162-L169 HydrophobicContact CG-CD1 4.2Å; L162-L169 HydrophobicContact CG-CG 4.27Å
163	P	86.9	Confident	89.9	Confident	43 Å²	43	28.6 Å²	28.6	28%	0.279	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-21.7	-170.5	-14.9	28.3	0	0	0	115.7	P83 R114 Y161	P83-P163 HydrophobicContact CB-CG 3.66Å; P83-P163 HydrophobicContact CG-CG 3.36Å; R114-P163 PolarHBondContact NH1-O 2.87Å; R114-P163 PolarHBondContact NH2-O 3.18Å; Y161-P163 HydrophobicContact CD1-CG 4.14Å; Y161-P163 HydrophobicContact CE1-CB 3.93Å; Y161-P163 HydrophobicContact CE1-CG 3.91Å
164	K	86.2	Confident	89.6	Confident	182 Å²	182	25.8 Å²	25.8	79%	0.791	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-48.3	179.4	-65.5	170	-176.1	170.7	0	109.6	L162	L162-K164 PolarHBondContact O-N 3.4Å
165	E	85.7	Confident	89	Confident	92 Å²	92	26 Å²	26	43%	0.43	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-26.5	-175.3	-58.9	67.9	-146.1	0	0	112.7	Y167	E165-Y167 HydrophobicContact CB-CD1 3.85Å; E165-Y167 HydrophobicContact CB-CD2 3.55Å; E165-Y167 HydrophobicContact CB-CE1 3.84Å; E165-Y167 HydrophobicContact CB-CE2 3.59Å; E165-Y167 HydrophobicContact CB-CG 3.7Å; E165-Y167 HydrophobicContact CG-CD2 4.06Å; E165-Y167 HydrophobicContact CG-CE2 3.85Å
166	G	89	Confident	87.7	Confident	7 Å²	7	28.2 Å²	28.2	7%	0.072	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	28.6	-172	0	0	0	0	0	113.2	V116 K117 L162	V116-G166 VanDerWaalsContact CA-O 3.22Å; V116-G166 WeakPolarHBondContact CA-O 3.49Å; V116-G166 WeakPolarHBondContact CB-O 3.46Å; K117-G166 PolarHBondContact N-O 3.19Å; K117-G166 VanDerWaalsContact N-O 3.08Å; L162-G166 WeakPolarHBondContact O-CA 3.36Å; L162-G166 PolarHBondContact O-N 2.76Å
167	Y	93.6	Very high	85.9	Confident	32 Å²	32	29.9 Å²	29.9	13%	0.125	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	144.8	-180	-56	-19.6	0	0	0	111.3	K117 I119 Y161 L162 E165 I341	K117-Y167 HydrophobicContact CB-CD1 4.32Å; K117-Y167 CarbonylContact O-C 3.46Å; K117-Y167 WeakPolarHBondContact O-CA 3.49Å; I119-Y167 HydrophobicContact CD1-CD2 3.53Å; I119-Y167 HydrophobicContact CD1-CE2 4.09Å; I119-Y167 HydrophobicContact CD1-CG 3.84Å; I119-Y167 HydrophobicContact CG1-CG 4.5Å; Y161-Y167 VanDerWaalsContact CD2-O 3.32Å; Y161-Y167 WeakPolarHBondContact CD2-O 3.22Å; L162-Y167 HydrophobicContact CD1-CD2 4.25Å; L162-Y167 PolarHBondContact N-O 2.9Å; L162-Y167 PolarHBondContact O-N 2.72Å; E165-Y167 HydrophobicContact CB-CD1 3.85Å; E165-Y167 HydrophobicContact CB-CD2 3.55Å; E165-Y167 HydrophobicContact CB-CE1 3.84Å; E165-Y167 HydrophobicContact CB-CE2 3.59Å; E165-Y167 HydrophobicContact CB-CG 3.7Å; E165-Y167 HydrophobicContact CG-CD2 4.06Å; E165-Y167 HydrophobicContact CG-CE2 3.85Å; Y167-I341 HydrophobicContact CD1-CD1 4.29Å; Y167-I341 HydrophobicContact CD1-CG2 4.31Å; Y167-I341 HydrophobicContact CD2-CD1 4.41Å; Y167-I341 HydrophobicContact CE1-CB 4.49Å; Y167-I341 HydrophobicContact CE1-CD1 3.98Å; Y167-I341 HydrophobicContact CE1-CG2 3.68Å; Y167-I341 HydrophobicContact CE2-CD1 4.07Å
168	L	94.9	Very high	83.7	Confident	4 Å²	4	34.8 Å²	34.8	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	105.4	165.1	-176.3	64.4	0	0	0	107.5	L108 V116 K117 L118 I119 A159 I170 L352 I355	L108-L168 HydrophobicContact CD1-CD1 3.78Å; L108-L168 HydrophobicContact CD2-CD1 4.27Å; V116-L168 HydrophobicContact CB-CB 4.43Å; V116-L168 HydrophobicContact CG2-CB 4.08Å; V116-L168 HydrophobicContact CG2-CD2 4.49Å; K117-L168 PolarHBondContact O-N 3.41Å; L118-L168 CarbonylContact C-O 3.56Å; L118-L168 WeakPolarHBondContact CA-O 3.41Å; L118-L168 HydrophobicContact CD1-CD2 4.07Å; L118-L168 HydrophobicContact CG-CD2 4.4Å; I119-L168 PolarHBondContact N-O 3.22Å; A159-L168 HydrophobicContact CB-CD1 4.26Å; L168-I170 HydrophobicContact CG-CD1 4.26Å; L168-L352 HydrophobicContact CD2-CD1 3.99Å; L168-I355 HydrophobicContact CD2-CG2 4.29Å
169	L	96.5	Very high	81.6	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	138.2	175.6	-56.6	-174.5	0	0	0	109.6	I119 F137 F144 A159 A160 L162	I119-L169 HydrophobicContact CB-CD2 3.99Å; I119-L169 HydrophobicContact CD1-CD2 3.75Å; I119-L169 HydrophobicContact CG1-CD2 4.2Å; I119-L169 CarbonylContact O-C 3.56Å; I119-L169 WeakPolarHBondContact O-CA 3.34Å; F137-L169 HydrophobicContact CB-CD1 3.92Å; F137-L169 HydrophobicContact CB-CD2 4.17Å; F137-L169 HydrophobicContact CD2-CD2 4.24Å; F137-L169 HydrophobicContact CG-CD2 4.21Å; F144-L169 HydrophobicContact CE2-CB 3.9Å; F144-L169 HydrophobicContact CE2-CD1 3.99Å; F144-L169 HydrophobicContact CZ-CB 3.82Å; A159-L169 CarbonylContact C-O 3.56Å; A159-L169 VanDerWaalsContact CA-O 3.23Å; A159-L169 WeakPolarHBondContact CA-O 3.44Å; A160-L169 PolarHBondContact N-O 3.09Å; A160-L169 PolarHBondContact O-N 3.37Å; L162-L169 HydrophobicContact CD1-CD1 3.83Å; L162-L169 HydrophobicContact CD1-CD2 4.02Å; L162-L169 HydrophobicContact CD1-CG 3.93Å; L162-L169 HydrophobicContact CG-CD1 4.2Å; L162-L169 HydrophobicContact CG-CG 4.27Å
170	I	95.1	Very high	79.7	Confident	9 Å²	9	39.1 Å²	39.1	5%	0.046	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	120	176.1	-60.9	-58.6	0	0	0	109.4	L89 L118 I119 A120 I121 I157 W158 A159 L168 T172	L89-I170 HydrophobicContact CD1-CD1 3.91Å; L118-I170 HydrophobicContact CD1-CG1 4.41Å; L118-I170 HydrophobicContact CD2-CB 4.47Å; L118-I170 HydrophobicContact CD2-CG1 3.65Å; L118-I170 HydrophobicContact CG-CG1 3.99Å; I119-I170 PolarHBondContact O-N 3.31Å; A120-I170 WeakPolarHBondContact CA-O 3.42Å; A120-I170 HydrophobicContact CB-CB 4.09Å; A120-I170 HydrophobicContact CB-CG2 4.37Å; I121-I170 PolarHBondContact N-O 3.44Å; I157-I170 HydrophobicContact CG2-CG2 3.58Å; W158-I170 CarbonylContact O-C 3.55Å; W158-I170 VanDerWaalsContact O-CA 3.3Å; W158-I170 WeakPolarHBondContact O-CA 3.36Å; A159-I170 HydrophobicContact CB-CD1 3.47Å; A159-I170 VanDerWaalsContact CB-CD1 3.47Å; L168-I170 HydrophobicContact CG-CD1 4.26Å; I170-T172 HydrophobicContact CG2-CG2 4.38Å
171	D	94.2	Very high	78.2	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	141.7	168.9	-167.4	35.1	0	0	0	110.2	I121 S130 L133 F144 T154 W158	I121-D171 HydrophobicContact CG2-CB 4.49Å; I121-D171 VanDerWaalsContact CG2-OD1 3.27Å; I121-D171 WeakPolarHBondContact CG2-OD1 3.35Å; S130-D171 WeakPolarHBondContact CB-OD2 3.42Å; S130-D171 PolarHBondContact OG-OD2 2.95Å; L133-D171 HydrophobicContact CD1-CB 3.83Å; F144-D171 HydrophobicContact CD1-CB 3.68Å; F144-D171 HydrophobicContact CE1-CB 3.77Å; F144-D171 HydrophobicContact CG-CB 4.23Å; F144-D171 HydrophobicContact CZ-CB 4.39Å; T154-D171 HydrophobicContact CG2-CB 4.44Å; T154-D171 WeakPolarHBondContact CG2-OD2 3.37Å; T154-D171 PolarHBondContact OG1-OD2 3.4Å; W158-D171 HydrophobicContact CB-CB 4.46Å; W158-D171 PolarHBondContact N-O 3.43Å; W158-D171 PolarHBondContact O-N 2.73Å
172	T	91	Very high	76.8	Confident	4 Å²	4	46.2 Å²	46.2	3%	0.025	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	153.5	-177.2	77.8	0	0	0	0	112.1	I121 V122 K129 I170 V192	I121-T172 WeakPolarHBondContact O-CG2 3.33Å; I121-T172 PolarHBondContact O-OG1 3.45Å; V122-T172 HydrophobicContact CG1-CG2 4.29Å; K129-T172 WeakPolarHBondContact CE-O 3.48Å; I170-T172 HydrophobicContact CG2-CG2 4.38Å; T172-V192 HydrophobicContact CG2-CG1 4.37Å; T172-V192 HydrophobicContact CG2-CG2 3.9Å
173	E	84.8	Confident	75.6	Confident	17 Å²	17	50.3 Å²	50.3	8%	0.079	30%	0.296	C	S	.	.			trans	-45.7	146.7	159.8	-165.1	171.5	128.1	0	0	111.4	G156 S179 R184 L188	G156-E173 PolarHBondContact N-OE2 2.66Å; G156-E173 PolarHBondContact O-N 3.14Å; E173-S179 PolarHBondContact OE1-OG 2.94Å; E173-R184 IonicContact OE1-CZ 3.47Å; E173-R184 IonicContact OE1-NH1 2.68Å; E173-R184 PolarHBondContact OE1-NH1 3.45Å; E173-R184 IonicContact OE1-NH2 3.28Å; E173-R184 IonicContact OE2-CZ 3.66Å; E173-R184 IonicContact OE2-NH1 2.72Å; E173-R184 PolarHBondContact OE2-NH1 3.13Å; E173-R184 IonicContact OE2-NH2 2.69Å; E173-R184 PolarHBondContact OE2-NH2 3.46Å; E173-L188 HydrophobicContact CB-CD2 4.4Å
174	G	75.5	Confident	74.8	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	29%	0.287	C	S	.	.			trans	-70.2	146.3	-180	0	0	0	0	0	113	T125 K129 Q185	T125-G174 WeakPolarHBondContact OG1-CA 3.43Å; K129-G174 VanDerWaalsContact NZ-CA 3.32Å; G174-Q185 PolarHBondContact O-NE2 2.97Å
175	L	66.8	Low	73.9	Confident	10 Å²	10	42.3 Å²	42.3	5%	0.052	26%	0.256	C	S	.	.	S	Bend	trans	-85.4	-52.5	-170.4	-59.7	-172.9	0	0	0	113.4	V122 G123 G177 Q185 L189 F215	V122-L175 HydrophobicContact CB-CD1 4.12Å; G123-L175 WeakPolarHBondContact O-CG 3.33Å; G123-L175 PolarHBondContact O-N 3.46Å; L175-G177 PolarHBondContact O-N 3.34Å; L175-Q185 HydrophobicContact CD2-CG 4.11Å; L175-Q185 PolarHBondContact O-NE2 3Å; L175-Q185 PolarHBondContact O-OE1 3.32Å; L175-L189 HydrophobicContact CD1-CD1 4.21Å; L175-L189 HydrophobicContact CD1-CD2 4.12Å; L175-L189 HydrophobicContact CD2-CD1 3.78Å; L175-L189 HydrophobicContact CD2-CD2 3.89Å; L175-L189 HydrophobicContact CD2-CG 3.95Å; L175-F215 HydrophobicContact CD1-CD2 4.31Å; L175-F215 HydrophobicContact CD1-CE1 3.9Å; L175-F215 HydrophobicContact CD1-CE2 3.57Å; L175-F215 HydrophobicContact CD1-CZ 3.33Å
176	L	55.2	Low	73.1	Confident	105 Å²	105	43.5 Å²	43.5	55%	0.55	26%	0.257	S	S	.	.	S	Bend	trans	-96.7	93.4	173.8	-58.6	-179.8	0	0	0	109.5	N124	N124-L176 HydrophobicContact CB-CB 4.31Å; N124-L176 WeakPolarHBondContact OD1-CB 3.42Å; N124-L176 WeakPolarHBondContact OD1-CD1 3.38Å; N124-L176 VanDerWaalsContact OD1-CG 3.24Å; N124-L176 WeakPolarHBondContact OD1-CG 3.42Å
177	G	46.7	Very low	72.5	Confident	35 Å²	35	46.6 Å²	46.6	36%	0.361	27%	0.266	S	S	.	.	S	Bend	trans	164.5	121.9	173	0	0	0	0	0	115	L175 S179	L175-G177 PolarHBondContact O-N 3.34Å; G177-S179 VanDerWaalsContact C-N 3.25Å; G177-S179 PolarHBondContact O-N 3.1Å
178	A	43.7	Very low	71.8	Confident	110 Å²	110	45.4 Å²	45.4	91%	0.909	26%	0.262	S	S	*	.			trans	57.4	-11.6	160	0	0	0	0	0	121.2	P180	A178-P180 WeakPolarHBondContact O-CD 3.2Å
179	S	51.4	Low	71.1	Confident	26 Å²	26	46.1 Å²	46.1	18%	0.182	27%	0.266	C	S	.	.			trans	-67.1	121.3	177.6	-149	0	0	0	0	110.8	E173 G177 N181 R184	E173-S179 PolarHBondContact OE1-OG 2.94Å; G177-S179 VanDerWaalsContact C-N 3.25Å; G177-S179 PolarHBondContact O-N 3.1Å; S179-N181 PolarHBondContact O-N 3.31Å; S179-N181 VanDerWaalsContact O-N 3.13Å; S179-R184 PolarHBondContact OG-NH1 2.93Å
180	P	53.4	Low	70.4	Confident	134 Å²	134	46.5 Å²	46.5	87%	0.87	27%	0.268	S	S	*	.	S	Bend	trans	-74.4	-3.3	-172.1	30.2	-36.7	0	0	0	114.1	A178	A178-P180 WeakPolarHBondContact O-CD 3.2Å
181	N	65.3	Low	69.9	Low	64 Å²	64	46.1 Å²	46.1	34%	0.342	27%	0.266	S	S	.	.			trans	-136.3	98.2	-177	-173.8	-22	0	0	0	110.5	S179 N183 R184 Q185	S179-N181 PolarHBondContact O-N 3.31Å; S179-N181 VanDerWaalsContact O-N 3.13Å; N181-N183 PolarHBondContact O-N 3.49Å; N181-N183 WeakPolarHBondContact OD1-CB 3.32Å; N181-N183 PolarHBondContact OD1-N 2.78Å; N181-R184 HydrophobicContact CB-CB 4.03Å; N181-R184 WeakPolarHBondContact O-CB 3.3Å; N181-R184 PolarHBondContact O-N 2.94Å; N181-R184 PolarHBondContact OD1-N 3.33Å; N181-R184 VanDerWaalsContact OD1-N 3.11Å; N181-Q185 PolarHBondContact O-N 3.28Å
182	P	63.9	Low	69.7	Low	86 Å²	86	46.3 Å²	46.3	56%	0.558	27%	0.267	S	S	*	.	H	α-helix	trans	-65.8	-23.1	179.8	26.3	-34.3	0	0	0	112.8	Q185 R186	P182-Q185 PolarHBondContact O-N 3.05Å; P182-R186 WeakPolarHBondContact O-CB 3.43Å; P182-R186 PolarHBondContact O-N 3.47Å
183	N	67.4	Low	69.5	Low	96 Å²	96	46.2 Å²	46.2	51%	0.513	27%	0.266	S	S	.	.	H	α-helix	trans	-70.9	-38.6	175.8	-64.2	-39.3	0	0	0	111.6	N181 Q185 R186 R187	N181-N183 PolarHBondContact O-N 3.49Å; N181-N183 WeakPolarHBondContact OD1-CB 3.32Å; N181-N183 PolarHBondContact OD1-N 2.78Å; N183-Q185 VanDerWaalsContact C-N 3.29Å; N183-Q185 PolarHBondContact O-N 2.96Å; N183-R186 PolarHBondContact O-N 2.95Å; N183-R187 WeakPolarHBondContact O-CG 3.44Å; N183-R187 PolarHBondContact O-N 3.18Å
184	R	70.1	Confident	69.4	Low	25 Å²	25	45.5 Å²	45.5	9%	0.094	26%	0.264	C	S	.	.	H	α-helix	trans	-54.2	-48.3	169.3	158.1	172.4	-178.1	-78.7	-9.4	110.8	D91 E92 E94 E173 S179 N181 R187 L188	D91-R184 PolarHBondContact O-NH2 3.14Å; E92-R184 PolarHBondContact O-NE 3.04Å; E92-R184 PolarHBondContact O-NH2 3Å; E94-R184 HydrophobicContact CG-CG 3.73Å; E94-R184 WeakPolarHBondContact OE2-CA 3.36Å; E94-R184 WeakPolarHBondContact OE2-CB 3.43Å; E173-R184 IonicContact OE1-CZ 3.47Å; E173-R184 IonicContact OE1-NH1 2.68Å; E173-R184 PolarHBondContact OE1-NH1 3.45Å; E173-R184 IonicContact OE1-NH2 3.28Å; E173-R184 IonicContact OE2-CZ 3.66Å; E173-R184 IonicContact OE2-NH1 2.72Å; E173-R184 PolarHBondContact OE2-NH1 3.13Å; E173-R184 IonicContact OE2-NH2 2.69Å; E173-R184 PolarHBondContact OE2-NH2 3.46Å; S179-R184 PolarHBondContact OG-NH1 2.93Å; N181-R184 HydrophobicContact CB-CB 4.03Å; N181-R184 WeakPolarHBondContact O-CB 3.3Å; N181-R184 PolarHBondContact O-N 2.94Å; N181-R184 PolarHBondContact OD1-N 3.33Å; N181-R184 VanDerWaalsContact OD1-N 3.11Å; R184-R187 PolarHBondContact O-N 3.24Å; R184-L188 WeakPolarHBondContact O-CB 3.45Å; R184-L188 PolarHBondContact O-N 2.88Å
185	Q	67.7	Low	69.9	Low	31 Å²	31	46.2 Å²	46.2	15%	0.145	27%	0.267	C	S	.	.	H	α-helix	trans	-66.2	-40.7	-178.9	-161.5	177.8	57.6	0	0	112.5	G174 L175 N181 P182 N183 L188 L189	G174-Q185 PolarHBondContact O-NE2 2.97Å; L175-Q185 HydrophobicContact CD2-CG 4.11Å; L175-Q185 PolarHBondContact O-NE2 3Å; L175-Q185 PolarHBondContact O-OE1 3.32Å; N181-Q185 PolarHBondContact O-N 3.28Å; P182-Q185 PolarHBondContact O-N 3.05Å; N183-Q185 VanDerWaalsContact C-N 3.29Å; N183-Q185 PolarHBondContact O-N 2.96Å; Q185-L188 PolarHBondContact O-N 2.84Å; Q185-L189 WeakPolarHBondContact O-CB 3.18Å; Q185-L189 WeakPolarHBondContact O-CG 3.34Å; Q185-L189 PolarHBondContact O-N 3.27Å
186	R	69.1	Low	71.1	Confident	117 Å²	117	45.8 Å²	45.8	44%	0.442	27%	0.265	S	S	.	.	H	α-helix	trans	-62.2	-41	172.6	-171.8	178.7	178	-153	-4	112.2	P182 N183 L190 E225	P182-R186 WeakPolarHBondContact O-CB 3.43Å; P182-R186 PolarHBondContact O-N 3.47Å; N183-R186 PolarHBondContact O-N 2.95Å; R186-L190 WeakPolarHBondContact O-CG 3.48Å; R186-L190 PolarHBondContact O-N 2.97Å; R186-E225 IonicContact NH2-OE2 2.6Å
187	R	75.3	Confident	72.9	Confident	73 Å²	73	41 Å²	41	28%	0.275	24%	0.24	S	C	.	.	H	α-helix	trans	-63.7	-47.4	173.7	-73.5	-174.8	-63.1	-121.7	11.4	112	E94 N183 R184 L189 L190 K191 F366	E94-R187 WeakPolarHBondContact OE1-CB 3.46Å; E94-R187 IonicContact OE1-NE 4Å; E94-R187 IonicContact OE2-CZ 2.71Å; E94-R187 IonicContact OE2-NE 2.72Å; E94-R187 PolarHBondContact OE2-NE 3.38Å; E94-R187 IonicContact OE2-NH2 3.16Å; E94-R187 PolarHBondContact OE2-NH2 3.25Å; N183-R187 WeakPolarHBondContact O-CG 3.44Å; N183-R187 PolarHBondContact O-N 3.18Å; R184-R187 PolarHBondContact O-N 3.24Å; R187-L189 VanDerWaalsContact C-N 3.26Å; R187-L189 PolarHBondContact O-N 2.73Å; R187-L190 PolarHBondContact O-N 3.36Å; R187-L190 VanDerWaalsContact O-N 3.17Å; R187-K191 VanDerWaalsContact O-CG 3.31Å; R187-K191 WeakPolarHBondContact O-CG 3.41Å; R187-K191 PolarHBondContact O-N 2.86Å; R187-F366 HydrophobicContact CB-CB 4.4Å; R187-F366 WeakPolarHBondContact CD-O 3.26Å; R187-F366 HydrophobicContact CG-CB 4.14Å
188	L	80.3	Confident	75.2	Confident	7 Å²	7	39.4 Å²	39.4	4%	0.037	22%	0.223	C	C	.	.	H	α-helix	trans	-57	-42.8	178.3	-161.7	67.2	0	0	0	111.1	I90 I157 E173 R184 Q185 K191 V192	I90-L188 HydrophobicContact CD1-CD1 4.07Å; I90-L188 HydrophobicContact CG2-CD1 4.22Å; I157-L188 HydrophobicContact CD1-CD1 3.62Å; I157-L188 HydrophobicContact CD1-CG 3.87Å; I157-L188 HydrophobicContact CG1-CD1 3.82Å; I157-L188 HydrophobicContact CG1-CD2 4.22Å; I157-L188 HydrophobicContact CG1-CG 4Å; E173-L188 HydrophobicContact CB-CD2 4.4Å; R184-L188 WeakPolarHBondContact O-CB 3.45Å; R184-L188 PolarHBondContact O-N 2.88Å; Q185-L188 PolarHBondContact O-N 2.84Å; L188-K191 WeakPolarHBondContact O-CB 3.18Å; L188-K191 PolarHBondContact O-N 3.29Å; L188-V192 WeakPolarHBondContact O-CG2 3.28Å; L188-V192 PolarHBondContact O-N 3.45Å; L188-V192 VanDerWaalsContact O-N 3.08Å
189	L	80.4	Confident	77.6	Confident	18 Å²	18	34.2 Å²	34.2	9%	0.094	18%	0.18	C	C	.	.	H	α-helix	trans	-65.3	-44.2	174	-79.5	167.6	0	0	0	114	V122 L175 Q185 R187 K191 V192 F193 F215	V122-L189 HydrophobicContact CB-CD2 4.48Å; V122-L189 HydrophobicContact CG1-CD2 3.84Å; L175-L189 HydrophobicContact CD1-CD1 4.21Å; L175-L189 HydrophobicContact CD1-CD2 4.12Å; L175-L189 HydrophobicContact CD2-CD1 3.78Å; L175-L189 HydrophobicContact CD2-CD2 3.89Å; L175-L189 HydrophobicContact CD2-CG 3.95Å; Q185-L189 WeakPolarHBondContact O-CB 3.18Å; Q185-L189 WeakPolarHBondContact O-CG 3.34Å; Q185-L189 PolarHBondContact O-N 3.27Å; R187-L189 VanDerWaalsContact C-N 3.26Å; R187-L189 PolarHBondContact O-N 2.73Å; L189-K191 VanDerWaalsContact C-N 3.26Å; L189-K191 PolarHBondContact O-N 2.93Å; L189-V192 PolarHBondContact O-N 3.46Å; L189-V192 VanDerWaalsContact O-N 3.1Å; L189-F193 HydrophobicContact CD2-CD2 4.36Å; L189-F193 HydrophobicContact CD2-CE2 4.03Å; L189-F193 WeakPolarHBondContact O-CD2 3.27Å; L189-F193 PolarHBondContact O-N 3.11Å; L189-F215 HydrophobicContact CD1-CE2 3.39Å; L189-F215 HydrophobicContact CD1-CZ 3.63Å; L189-F215 HydrophobicContact CD2-CZ 3.91Å; L189-F215 HydrophobicContact CG-CZ 4.4Å
190	L	81.4	Confident	79.7	Confident	9 Å²	9	33 Å²	33	5%	0.047	17%	0.171	C	C	.	.	H	α-helix	trans	-61	-37.7	176.7	-75.1	169.7	0	0	0	111.4	R186 R187 A194 A222 F366	R186-L190 WeakPolarHBondContact O-CG 3.48Å; R186-L190 PolarHBondContact O-N 2.97Å; R187-L190 PolarHBondContact O-N 3.36Å; R187-L190 VanDerWaalsContact O-N 3.17Å; L190-A194 WeakPolarHBondContact O-CB 3.27Å; L190-A194 PolarHBondContact O-N 2.82Å; L190-A222 HydrophobicContact CD1-CB 4.49Å; L190-A222 HydrophobicContact CD2-CB 3.95Å; L190-F366 HydrophobicContact CB-CE2 4.06Å; L190-F366 HydrophobicContact CB-CZ 3.85Å; L190-F366 HydrophobicContact CD1-CE1 4.11Å; L190-F366 HydrophobicContact CD1-CZ 4.19Å
191	K	85.1	Confident	81.7	Confident	1 Å²	1	26.8 Å²	26.8	0%	0.004	13%	0.131	C	C	.	.	H	α-helix	trans	-59.2	-48.2	171.1	-63.3	162.5	-168.7	177.8	0	111.1	E94 R187 L188 L189 L195 L362 N363 F366	E94-K191 IonicContact OE1-NZ 2.77Å; E94-K191 PolarHBondContact OE1-NZ 3.23Å; R187-K191 VanDerWaalsContact O-CG 3.31Å; R187-K191 WeakPolarHBondContact O-CG 3.41Å; R187-K191 PolarHBondContact O-N 2.86Å; L188-K191 WeakPolarHBondContact O-CB 3.18Å; L188-K191 PolarHBondContact O-N 3.29Å; L189-K191 VanDerWaalsContact C-N 3.26Å; L189-K191 PolarHBondContact O-N 2.93Å; K191-L195 WeakPolarHBondContact O-CB 3.27Å; K191-L195 WeakPolarHBondContact O-CD1 3.29Å; K191-L195 WeakPolarHBondContact O-CG 3.49Å; K191-L195 PolarHBondContact O-N 2.91Å; K191-L195 VanDerWaalsContact O-N 3.15Å; K191-L362 HydrophobicContact CB-CD1 4.44Å; K191-L362 HydrophobicContact CG-CB 4.04Å; K191-L362 HydrophobicContact CG-CD1 4.48Å; K191-N363 WeakPolarHBondContact CE-OD1 3.34Å; K191-N363 PolarHBondContact NZ-OD1 2.82Å; K191-F366 HydrophobicContact CG-CD2 3.84Å; K191-F366 HydrophobicContact CG-CE2 4.26Å
192	V	88.7	Confident	83.1	Confident	4 Å²	4	24.1 Å²	24.1	2%	0.024	12%	0.116	C	C	.	.	H	α-helix	trans	-65	-47.5	179.1	171.1	0	0	0	0	113	A120 V122 I157 T172 L188 L189 A194 L195 A196	A120-V192 HydrophobicContact CB-CG1 3.43Å; A120-V192 VanDerWaalsContact CB-CG1 3.43Å; V122-V192 HydrophobicContact CG1-CG1 4.44Å; I157-V192 HydrophobicContact CD1-CG2 3.42Å; I157-V192 VanDerWaalsContact CD1-CG2 3.42Å; I157-V192 HydrophobicContact CG1-CG2 4.42Å; T172-V192 HydrophobicContact CG2-CG1 4.37Å; T172-V192 HydrophobicContact CG2-CG2 3.9Å; L188-V192 WeakPolarHBondContact O-CG2 3.28Å; L188-V192 PolarHBondContact O-N 3.45Å; L188-V192 VanDerWaalsContact O-N 3.08Å; L189-V192 PolarHBondContact O-N 3.46Å; L189-V192 VanDerWaalsContact O-N 3.1Å; V192-A194 VanDerWaalsContact C-N 3.34Å; V192-A194 PolarHBondContact O-N 3.23Å; V192-L195 PolarHBondContact O-N 3.47Å; V192-A196 PolarHBondContact O-N 3.33Å
193	F	87.5	Confident	84.5	Confident	2 Å²	2	20.6 Å²	20.6	1%	0.009	9%	0.093	C	C	.	.	H	α-helix	trans	-68	-34	-179.6	-87.4	-108.4	0	0	0	112	V122 L189 V199 A219 F223 P249 V251 F313 R347	V122-F193 HydrophobicContact CG1-CE2 4.43Å; L189-F193 HydrophobicContact CD2-CD2 4.36Å; L189-F193 HydrophobicContact CD2-CE2 4.03Å; L189-F193 WeakPolarHBondContact O-CD2 3.27Å; L189-F193 PolarHBondContact O-N 3.11Å; F193-V199 HydrophobicContact CD1-CG2 4.33Å; F193-V199 HydrophobicContact CE1-CG1 4.33Å; F193-V199 HydrophobicContact CE1-CG2 4.43Å; F193-V199 HydrophobicContact CE2-CG1 3.95Å; F193-V199 HydrophobicContact CG-CG2 4.39Å; F193-V199 HydrophobicContact CZ-CB 4.49Å; F193-V199 HydrophobicContact CZ-CG1 3.82Å; F193-A219 HydrophobicContact CE1-CB 4.41Å; F193-A219 HydrophobicContact CZ-CB 4.34Å; F193-F223 HydrophobicContact CB-CD2 4.12Å; F193-P249 HydrophobicContact CB-CG 4.46Å; F193-P249 HydrophobicContact CD1-CG 3.83Å; F193-P249 HydrophobicContact CG-CG 4.46Å; F193-P249 WeakPolarHBondContact O-CD 3.13Å; F193-P249 WeakPolarHBondContact O-CG 3.24Å; F193-V251 HydrophobicContact CE1-CG2 4.02Å; F193-F313 HydrophobicContact CD1-CD1 4.27Å; F193-F313 AromaticContact CD1-CE1 3.55Å; F193-F313 HydrophobicContact CD1-CE1 3.55Å; F193-F313 HydrophobicContact CD1-CZ 4.1Å; F193-F313 HydrophobicContact CE1-CD1 4.32Å; F193-F313 AromaticContact CE1-CE1 3.54Å; F193-F313 HydrophobicContact CE1-CE1 3.54Å; F193-F313 HydrophobicContact CE1-CE2 4.47Å; F193-F313 AromaticContact CE1-CZ 3.63Å; F193-F313 HydrophobicContact CE1-CZ 3.63Å; F193-R347 PolarHBondContact O-NH1 3.06Å
194	A	82.4	Confident	85.6	Confident	3 Å²	3	19.5 Å²	19.5	3%	0.025	9%	0.085	C	C	.	.	H	α-helix	trans	-60	-45.6	170.2	0	0	0	0	0	111.7	L190 V192 F227 R347 L362 F377 Y381	L190-A194 WeakPolarHBondContact O-CB 3.27Å; L190-A194 PolarHBondContact O-N 2.82Å; V192-A194 VanDerWaalsContact C-N 3.34Å; V192-A194 PolarHBondContact O-N 3.23Å; A194-F227 HydrophobicContact CB-CE2 3.88Å; A194-F227 HydrophobicContact CB-CZ 3.68Å; A194-R347 PolarHBondContact O-NH1 2.8Å; A194-L362 HydrophobicContact CB-CD1 3.42Å; A194-L362 VanDerWaalsContact CB-CD1 3.42Å; A194-F377 HydrophobicContact CB-CE1 4.1Å; A194-F377 HydrophobicContact CB-CZ 4.46Å; A194-Y381 VanDerWaalsContact O-CE2 3.25Å; A194-Y381 WeakPolarHBondContact O-CE2 3.15Å; A194-Y381 PolarHBondContact O-OH 3.35Å
195	L	87.2	Confident	86.6	Confident	15 Å²	15	19.2 Å²	19.2	8%	0.079	9%	0.088	C	C	.	.	H	α-helix	trans	-73.6	-31.4	-178.9	-84	164.1	0	0	0	115.4	L118 K191 V192 D197 R350 I355 I358 L359 Y381	L118-L195 HydrophobicContact CD1-CB 4.01Å; L118-L195 HydrophobicContact CD1-CD2 4.02Å; L118-L195 HydrophobicContact CD2-CB 4.32Å; K191-L195 WeakPolarHBondContact O-CB 3.27Å; K191-L195 WeakPolarHBondContact O-CD1 3.29Å; K191-L195 WeakPolarHBondContact O-CG 3.49Å; K191-L195 PolarHBondContact O-N 2.91Å; K191-L195 VanDerWaalsContact O-N 3.15Å; V192-L195 PolarHBondContact O-N 3.47Å; L195-D197 PolarHBondContact O-N 2.73Å; L195-R350 PolarHBondContact O-NH1 3.03Å; L195-R350 PolarHBondContact O-NH2 3.18Å; L195-I355 HydrophobicContact CD2-CG2 3.86Å; L195-I358 HydrophobicContact CD2-CG2 3.44Å; L195-I358 VanDerWaalsContact CD2-CG2 3.44Å; L195-I358 HydrophobicContact CG-CG2 4.08Å; L195-L359 HydrophobicContact CD1-CB 4.23Å; L195-L359 HydrophobicContact CD1-CD1 3.88Å; L195-Y381 VanDerWaalsContact C-OH 3.23Å; L195-Y381 PolarHBondContact O-OH 3.46Å
196	A	91.7	Very high	87.6	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.095	C	C	.	.			trans	-33.8	120.5	174.1	0	0	0	0	0	116	L118 A120 V192 V198 V199 R347 Y381	L118-A196 HydrophobicContact CD2-CB 3.43Å; L118-A196 VanDerWaalsContact CD2-CB 3.43Å; A120-A196 HydrophobicContact CB-CB 4.02Å; V192-A196 PolarHBondContact O-N 3.33Å; A196-V198 WeakPolarHBondContact CB-O 3.21Å; A196-V199 HydrophobicContact CB-CG2 3.82Å; A196-R347 VanDerWaalsContact O-CD 3.28Å; A196-R347 WeakPolarHBondContact O-CD 3.21Å; A196-R347 PolarHBondContact O-NH1 3.34Å; A196-Y381 PolarHBondContact O-OH 3.43Å
197	D	92.4	Very high	88.6	Confident	6 Å²	6	22.7 Å²	22.7	3%	0.032	10%	0.104	C	C	.	.	S	Bend	trans	-84.3	-48.6	145.6	-75.1	-82.2	0	0	0	109.2	K117 L118 L195 V250 R347 R350	K117-D197 HydrophobicContact CD-CB 3.91Å; K117-D197 WeakPolarHBondContact CD-OD1 3.37Å; K117-D197 WeakPolarHBondContact CD-OD2 3.44Å; K117-D197 WeakPolarHBondContact CE-OD1 3.44Å; K117-D197 IonicContact NZ-OD1 3.19Å; K117-D197 PolarHBondContact NZ-OD1 3.08Å; L118-D197 PolarHBondContact N-OD2 3.13Å; L118-D197 WeakPolarHBondContact O-CA 3.44Å; L118-D197 WeakPolarHBondContact O-CB 3.45Å; L118-D197 PolarHBondContact O-N 2.94Å; L195-D197 PolarHBondContact O-N 2.73Å; D197-V250 PolarHBondContact O-N 3.46Å; D197-V250 VanDerWaalsContact O-N 3.11Å; D197-R347 VanDerWaalsContact OD1-CB 3.32Å; D197-R347 WeakPolarHBondContact OD1-CB 3.49Å; D197-R350 IonicContact OD1-NH2 3.7Å; D197-R350 IonicContact OD2-CZ 2.72Å; D197-R350 IonicContact OD2-NH2 3.33Å; D197-R350 PolarHBondContact OD2-NH2 3.07Å
198	V	94.4	Very high	89.2	Confident	1 Å²	1	20.3 Å²	20.3	1%	0.006	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133	173.1	-176.2	0	0	0	0	110	L118 I119 A120 A196 V250 V252 V337 K340 I341	L118-V198 PolarHBondContact O-N 2.87Å; I119-V198 WeakPolarHBondContact CA-O 3.02Å; A120-V198 PolarHBondContact N-O 3.45Å; A196-V198 WeakPolarHBondContact CB-O 3.21Å; V198-V250 CarbonylContact C-O 3.51Å; V198-V250 WeakPolarHBondContact CA-O 3.31Å; V198-V250 HydrophobicContact CG2-CB 4.28Å; V198-V252 HydrophobicContact CG1-CG2 3.78Å; V198-V337 HydrophobicContact CG1-CG1 4.48Å; V198-V337 HydrophobicContact CG1-CG2 4.39Å; V198-K340 HydrophobicContact CG2-CB 4.41Å; V198-I341 HydrophobicContact CG2-CG1 3.6Å
199	V	95	Very high	89.6	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.7	171.2	180	0	0	0	0	108.7	A120 V122 F193 A196 P249 V250 V251 V252	A120-V199 HydrophobicContact CB-CG2 4.44Å; A120-V199 CarbonylContact O-C 3.42Å; A120-V199 WeakPolarHBondContact O-CA 3.48Å; V122-V199 HydrophobicContact CG1-CG1 4.14Å; V122-V199 HydrophobicContact CG2-CG1 3.63Å; F193-V199 HydrophobicContact CD1-CG2 4.33Å; F193-V199 HydrophobicContact CE1-CG1 4.33Å; F193-V199 HydrophobicContact CE1-CG2 4.43Å; F193-V199 HydrophobicContact CE2-CG1 3.95Å; F193-V199 HydrophobicContact CG-CG2 4.39Å; F193-V199 HydrophobicContact CZ-CB 4.49Å; F193-V199 HydrophobicContact CZ-CG1 3.82Å; A196-V199 HydrophobicContact CB-CG2 3.82Å; V199-P249 HydrophobicContact CG2-CB 3.96Å; V199-P249 HydrophobicContact CG2-CG 3.87Å; V199-V250 PolarHBondContact N-O 3.33Å; V199-V251 CarbonylContact O-C 3.5Å; V199-V251 WeakPolarHBondContact O-CA 3.33Å; V199-V252 PolarHBondContact O-N 3.5Å
200	I	96.1	Very high	89.8	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	118	175.5	-58.2	170.5	0	0	0	108	I119 A120 I121 V122 F137 V252 F254 L333 V337	I119-I200 HydrophobicContact CG2-CD1 3.84Å; I119-I200 HydrophobicContact CG2-CG1 4.31Å; A120-I200 PolarHBondContact O-N 3.07Å; I121-I200 CarbonylContact C-O 3.49Å; I121-I200 WeakPolarHBondContact CA-O 3.35Å; I121-I200 HydrophobicContact CB-CB 4.4Å; I121-I200 HydrophobicContact CD1-CB 4.45Å; I121-I200 HydrophobicContact CD1-CG2 4.15Å; I121-I200 HydrophobicContact CG1-CB 4.1Å; I121-I200 HydrophobicContact CG1-CG2 4.17Å; V122-I200 PolarHBondContact N-O 3.13Å; F137-I200 HydrophobicContact CE2-CD1 3.65Å; F137-I200 HydrophobicContact CZ-CD1 3.83Å; I200-V252 CarbonylContact C-O 3.57Å; I200-V252 VanDerWaalsContact CA-O 3.28Å; I200-V252 WeakPolarHBondContact CA-O 3.14Å; I200-F254 HydrophobicContact CG2-CB 4.15Å; I200-L333 HydrophobicContact CD1-CD1 4.32Å; I200-L333 HydrophobicContact CG2-CD1 4.18Å; I200-L333 HydrophobicContact CG2-CD2 4.42Å; I200-V337 HydrophobicContact CD1-CG2 4.05Å; I200-V337 HydrophobicContact CG1-CG2 4.2Å
201	Y	94.8	Very high	89.9	Confident	5 Å²	5	28.1 Å²	28.1	2%	0.02	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	109	167	-170.5	-78	0	0	0	108.6	V122 M212 F215 L216 V252 I253 F254	V122-Y201 HydrophobicContact CG2-CD2 3.9Å; V122-Y201 HydrophobicContact CG2-CG 4.49Å; V122-Y201 WeakPolarHBondContact O-CA 3.1Å; Y201-M212 HydrophobicContact CD1-CG 3.79Å; Y201-M212 HydrophobicContact CD1-SD 3.99Å; Y201-M212 HydrophobicContact CD2-CG 4.47Å; Y201-M212 HydrophobicContact CE1-CB 4.03Å; Y201-M212 HydrophobicContact CE1-CG 3.46Å; Y201-M212 VanDerWaalsContact CE1-CG 3.46Å; Y201-M212 HydrophobicContact CE1-SD 4.01Å; Y201-M212 HydrophobicContact CE2-CG 4.18Å; Y201-M212 HydrophobicContact CG-CG 4.3Å; Y201-F215 AromaticContact CD2-CD1 3.92Å; Y201-F215 HydrophobicContact CD2-CD1 3.92Å; Y201-F215 AromaticContact CD2-CE1 3.93Å; Y201-F215 HydrophobicContact CD2-CE1 3.93Å; Y201-F215 AromaticContact CE2-CD1 3.48Å; Y201-F215 HydrophobicContact CE2-CD1 3.48Å; Y201-F215 VanDerWaalsContact CE2-CD1 3.48Å; Y201-F215 AromaticContact CE2-CE1 3.79Å; Y201-F215 HydrophobicContact CE2-CE1 3.79Å; Y201-F215 HydrophobicContact CE2-CG 4.34Å; Y201-L216 HydrophobicContact CD2-CD2 4.23Å; Y201-V252 PolarHBondContact N-O 2.86Å; Y201-I253 CarbonylContact O-C 3.59Å; Y201-I253 WeakPolarHBondContact O-CA 3.41Å; Y201-F254 PolarHBondContact O-N 3.43Å
202	R	94.8	Very high	90.1	Very high	7 Å²	7	28.2 Å²	28.2	3%	0.026	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	135.2	179.5	167.6	66.6	-178.9	-164.2	6.1	109.9	I121 V122 D127 K129 T132 M204 F254 E256	I121-R202 HydrophobicContact CD1-CB 3.99Å; I121-R202 HydrophobicContact CG1-CB 4.05Å; V122-R202 PolarHBondContact O-N 3.5Å; D127-R202 HydrophobicContact CB-CG 4.29Å; D127-R202 WeakPolarHBondContact O-CG 3.35Å; D127-R202 PolarHBondContact O-NE 3.44Å; D127-R202 PolarHBondContact O-NH2 3.28Å; K129-R202 HydrophobicContact CG-CB 4.38Å; K129-R202 HydrophobicContact CG-CG 4.41Å; T132-R202 VanDerWaalsContact OG1-CD 3.31Å; T132-R202 WeakPolarHBondContact OG1-CD 3.05Å; T132-R202 VanDerWaalsContact OG1-CZ 3.3Å; T132-R202 PolarHBondContact OG1-NE 3.25Å; T132-R202 PolarHBondContact OG1-NH1 3.28Å; R202-M204 PolarHBondContact NH2-SD 3.36Å; R202-F254 VanDerWaalsContact NH1-CE1 3.25Å; R202-E256 IonicContact CZ-OE2 3.19Å; R202-E256 IonicContact NH1-OE2 2.82Å; R202-E256 PolarHBondContact NH1-OE2 3.3Å; R202-E256 IonicContact NH2-OE2 3.63Å; R202-E256 PolarHBondContact NH2-OE2 3.28Å
203	T	92.9	Very high	90	Very high	12 Å²	12	28.2 Å²	28.2	7%	0.074	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	137.8	171.6	-165.5	0	0	0	0	113.2	S205 L208 F254 Q255 E256	T203-S205 PolarHBondContact OG1-OG 2.89Å; T203-L208 HydrophobicContact CG2-CD2 4.26Å; T203-F254 PolarHBondContact N-O 2.67Å; T203-Q255 HydrophobicContact CG2-CB 4.11Å; T203-Q255 HydrophobicContact CG2-CG 4.05Å; T203-E256 PolarHBondContact O-N 3.39Å; T203-E256 VanDerWaalsContact O-N 3.08Å
204	M	90.7	Very high	89.9	Confident	73 Å²	73	30.9 Å²	30.9	36%	0.36	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	71.4	176.4	-78.2	-65.6	-66	0	0	110.8	D127 R202 E256	D127-M204 WeakPolarHBondContact O-CG 3.2Å; D127-M204 WeakPolarHBondContact OD1-CB 3.38Å; D127-M204 PolarHBondContact OD1-N 3.08Å; R202-M204 PolarHBondContact NH2-SD 3.36Å; M204-E256 HydrophobicContact CE-CG 4.3Å; M204-E256 HydrophobicContact SD-CB 3.63Å; M204-E256 VanDerWaalsContact SD-CD 3.52Å; M204-E256 HydrophobicContact SD-CG 3.64Å; M204-E256 VanDerWaalsContact SD-OE2 3.39Å
205	S	90.3	Very high	90.1	Very high	20 Å²	20	32.8 Å²	32.8	14%	0.14	17%	0.165	C	C	.	.			trans	-145.1	138.1	-174.4	63.5	0	0	0	0	112.9	T203 R207 Q255 E256	T203-S205 PolarHBondContact OG1-OG 2.89Å; S205-R207 WeakPolarHBondContact CB-O 3.36Å; S205-R207 PolarHBondContact O-N 3.19Å; S205-R207 PolarHBondContact OG-O 3.27Å; S205-Q255 WeakPolarHBondContact O-CG 3.48Å; S205-Q255 PolarHBondContact O-NE2 3.41Å; S205-E256 PolarHBondContact N-O 2.76Å
206	D	89.6	Confident	90.1	Very high	57 Å²	57	32.1 Å²	32.1	31%	0.305	16%	0.161	S	C	.	.	S	Bend	trans	-66.8	-1.9	174.9	-85.6	-30.1	0	0	0	113.9	Q258 H259 T260	D206-Q258 PolarHBondContact OD1-N 3.46Å; D206-H259 PolarHBondContact OD1-N 3.12Å; D206-H259 WeakPolarHBondContact OD2-CB 3.39Å; D206-H259 IonicContact OD2-CD2 3.81Å; D206-H259 PolarHBondContact OD2-CD2 3.07Å; D206-H259 IonicContact OD2-CG 3.82Å; D206-T260 VanDerWaalsContact C-OG1 3.24Å; D206-T260 WeakPolarHBondContact CA-OG1 3.2Å; D206-T260 HydrophobicContact CB-CG2 3.7Å; D206-T260 VanDerWaalsContact CB-OG1 3.31Å; D206-T260 WeakPolarHBondContact CB-OG1 3.45Å; D206-T260 WeakPolarHBondContact O-CB 3.5Å; D206-T260 WeakPolarHBondContact O-CG2 3.33Å; D206-T260 PolarHBondContact O-OG1 2.68Å; D206-T260 PolarHBondContact OD1-N 3.28Å; D206-T260 VanDerWaalsContact OD1-N 3.09Å; D206-T260 PolarHBondContact OD1-OG1 3.47Å
207	R	89.1	Confident	89.7	Confident	164 Å²	164	32.1 Å²	32.1	62%	0.619	16%	0.161	S	C	*	.	S	Bend	trans	-151.4	158.4	171.1	71.1	-168.1	-177.2	-158.2	3.7	110.5	S205 H209	S205-R207 WeakPolarHBondContact CB-O 3.36Å; S205-R207 PolarHBondContact O-N 3.19Å; S205-R207 PolarHBondContact OG-O 3.27Å; R207-H209 WeakPolarHBondContact CG-CD2 3.38Å; R207-H209 PolarHBondContact NE-CD2 2.85Å; R207-H209 PolarHBondContact NE-NE2 2.88Å; R207-H209 PolarHBondContact NH2-CE1 3.08Å; R207-H209 VanDerWaalsContact NH2-CE1 3.28Å; R207-H209 PolarHBondContact O-CD2 2.88Å; R207-H209 PolarHBondContact O-N 3.32Å
208	L	89.6	Confident	89.3	Confident	23 Å²	23	35.1 Å²	35.1	12%	0.12	18%	0.177	C	C	.	.			trans	-78.8	112.2	167.3	-59.9	-180	0	0	0	109.3	T203 M212 F213 I253 Q255 L263 F298 L299 Y318	T203-L208 HydrophobicContact CG2-CD2 4.26Å; L208-M212 HydrophobicContact CB-CE 3.95Å; L208-M212 HydrophobicContact CD1-CE 4.13Å; L208-M212 HydrophobicContact CD2-CE 4.13Å; L208-M212 HydrophobicContact CD2-SD 3.9Å; L208-M212 HydrophobicContact CG-CE 4.29Å; L208-F213 HydrophobicContact CB-CE2 3.73Å; L208-F213 HydrophobicContact CB-CZ 4.04Å; L208-F213 HydrophobicContact CD1-CZ 4.1Å; L208-I253 HydrophobicContact CD2-CG2 4.11Å; L208-Q255 HydrophobicContact CD2-CB 4.01Å; L208-Q255 HydrophobicContact CD2-CG 3.97Å; L208-L263 HydrophobicContact CD1-CD1 3.79Å; L208-F298 HydrophobicContact CD1-CE1 4.47Å; L208-L299 HydrophobicContact CD1-CD2 3.77Å; L208-Y318 HydrophobicContact CD1-CD2 4.08Å; L208-Y318 HydrophobicContact CD1-CE2 3.89Å; L208-Y318 HydrophobicContact CD2-CE2 4.23Å; L208-Y318 HydrophobicContact CG-CE2 4.39Å
209	H	86.9	Confident	88.7	Confident	72 Å²	72	35.7 Å²	35.7	33%	0.333	18%	0.182	S	C	.	.			trans	-78.9	156.3	179.6	-78.9	-137.4	0	0	0	111.7	R207 D211 M212 F213	R207-H209 WeakPolarHBondContact CG-CD2 3.38Å; R207-H209 PolarHBondContact NE-CD2 2.85Å; R207-H209 PolarHBondContact NE-NE2 2.88Å; R207-H209 PolarHBondContact NH2-CE1 3.08Å; R207-H209 VanDerWaalsContact NH2-CE1 3.28Å; R207-H209 PolarHBondContact O-CD2 2.88Å; R207-H209 PolarHBondContact O-N 3.32Å; H209-D211 WeakPolarHBondContact CB-OD1 3.44Å; H209-D211 PolarHBondContact O-N 2.88Å; H209-M212 PolarHBondContact O-N 3.05Å; H209-F213 VanDerWaalsContact O-CD2 3.27Å; H209-F213 WeakPolarHBondContact O-CD2 3.33Å
210	S	85.5	Confident	88.3	Confident	56 Å²	56	35.7 Å²	35.7	39%	0.392	18%	0.182	S	C	.	.	H	α-helix	trans	-69.2	-18.8	-177.5	-54.9	0	0	0	0	114.1	F213 T214	S210-F213 PolarHBondContact O-N 3.41Å; S210-T214 WeakPolarHBondContact O-CB 3.42Å; S210-T214 PolarHBondContact O-N 3.18Å; S210-T214 PolarHBondContact O-OG1 2.87Å
211	D	83.3	Confident	87.5	Confident	70 Å²	70	38.1 Å²	38.1	37%	0.374	20%	0.195	S	C	.	.	H	α-helix	trans	-63.9	-46.6	173.7	51.3	3.8	0	0	0	111.5	H209 F213 T214 F215	H209-D211 WeakPolarHBondContact CB-OD1 3.44Å; H209-D211 PolarHBondContact O-N 2.88Å; D211-F213 VanDerWaalsContact C-N 3.34Å; D211-F213 PolarHBondContact O-N 2.79Å; D211-T214 PolarHBondContact O-N 3.35Å; D211-F215 VanDerWaalsContact O-CB 3.22Å; D211-F215 WeakPolarHBondContact O-CB 3.31Å; D211-F215 PolarHBondContact O-N 2.78Å
212	M	88.6	Confident	86.7	Confident	3 Å²	3	38 Å²	38	2%	0.015	20%	0.195	C	C	.	.	H	α-helix	trans	-56.6	-45.9	174.1	175.4	-160	76.2	0	0	111.5	Y201 L208 H209 F215 L216 I253	Y201-M212 HydrophobicContact CD1-CG 3.79Å; Y201-M212 HydrophobicContact CD1-SD 3.99Å; Y201-M212 HydrophobicContact CD2-CG 4.47Å; Y201-M212 HydrophobicContact CE1-CB 4.03Å; Y201-M212 HydrophobicContact CE1-CG 3.46Å; Y201-M212 VanDerWaalsContact CE1-CG 3.46Å; Y201-M212 HydrophobicContact CE1-SD 4.01Å; Y201-M212 HydrophobicContact CE2-CG 4.18Å; Y201-M212 HydrophobicContact CG-CG 4.3Å; L208-M212 HydrophobicContact CB-CE 3.95Å; L208-M212 HydrophobicContact CD1-CE 4.13Å; L208-M212 HydrophobicContact CD2-CE 4.13Å; L208-M212 HydrophobicContact CD2-SD 3.9Å; L208-M212 HydrophobicContact CG-CE 4.29Å; H209-M212 PolarHBondContact O-N 3.05Å; M212-F215 WeakPolarHBondContact O-CB 3.5Å; M212-F215 PolarHBondContact O-N 2.83Å; M212-L216 HydrophobicContact CG-CD1 4.08Å; M212-L216 HydrophobicContact CG-CG 4.48Å; M212-L216 WeakPolarHBondContact O-CB 3.4Å; M212-L216 VanDerWaalsContact O-CG 3.3Å; M212-L216 WeakPolarHBondContact O-CG 3.39Å; M212-L216 PolarHBondContact O-N 2.98Å; M212-I253 HydrophobicContact CE-CD1 3.81Å; M212-I253 HydrophobicContact SD-CD1 3.92Å; M212-I253 HydrophobicContact SD-CG1 4.45Å; M212-I253 HydrophobicContact SD-CG2 3.7Å
213	F	87.6	Confident	86.1	Confident	3 Å²	3	37.9 Å²	37.9	1%	0.013	20%	0.195	C	C	.	.	H	α-helix	trans	-69	-37.9	179.9	-67.3	-82.7	0	0	0	112.2	L208 H209 S210 D211 A217 F298 L299 R302 L303 M306	L208-F213 HydrophobicContact CB-CE2 3.73Å; L208-F213 HydrophobicContact CB-CZ 4.04Å; L208-F213 HydrophobicContact CD1-CZ 4.1Å; H209-F213 VanDerWaalsContact O-CD2 3.27Å; H209-F213 WeakPolarHBondContact O-CD2 3.33Å; S210-F213 PolarHBondContact O-N 3.41Å; D211-F213 VanDerWaalsContact C-N 3.34Å; D211-F213 PolarHBondContact O-N 2.79Å; F213-A217 WeakPolarHBondContact O-CB 3.5Å; F213-A217 PolarHBondContact O-N 3.03Å; F213-F298 HydrophobicContact CZ-CE1 4.5Å; F213-L299 HydrophobicContact CE1-CB 4.45Å; F213-L299 HydrophobicContact CE1-CD2 3.56Å; F213-L299 HydrophobicContact CZ-CD2 3.82Å; F213-R302 HydrophobicContact CD1-CB 4.35Å; F213-R302 HydrophobicContact CD1-CG 4.19Å; F213-R302 HydrophobicContact CD2-CG 4.07Å; F213-R302 HydrophobicContact CE1-CB 3.85Å; F213-R302 HydrophobicContact CE1-CG 3.88Å; F213-R302 HydrophobicContact CE2-CG 3.77Å; F213-R302 HydrophobicContact CG-CG 4.28Å; F213-R302 HydrophobicContact CZ-CB 3.99Å; F213-R302 HydrophobicContact CZ-CG 3.67Å; F213-L303 HydrophobicContact CB-CD2 4.21Å; F213-L303 HydrophobicContact CD1-CD2 4.22Å; F213-L303 HydrophobicContact CD1-CG 4.14Å; F213-M306 HydrophobicContact CB-CE 3.22Å; F213-M306 HydrophobicContact CB-SD 4.48Å; F213-M306 HydrophobicContact CD1-CE 4.4Å; F213-M306 HydrophobicContact CD2-CE 4.33Å; F213-M306 HydrophobicContact CG-CE 3.79Å
214	T	86	Confident	85.3	Confident	58 Å²	58	38.3 Å²	38.3	36%	0.356	20%	0.198	S	C	.	.	H	α-helix	trans	-62	-47.5	173.1	-55.5	0	0	0	0	110.3	S210 D211 L216 A217 D218	S210-T214 WeakPolarHBondContact O-CB 3.42Å; S210-T214 PolarHBondContact O-N 3.18Å; S210-T214 PolarHBondContact O-OG1 2.87Å; D211-T214 PolarHBondContact O-N 3.35Å; T214-L216 PolarHBondContact O-N 3.33Å; T214-A217 WeakPolarHBondContact O-CB 3.39Å; T214-A217 PolarHBondContact O-N 3.48Å; T214-D218 WeakPolarHBondContact CG2-OD2 3.41Å; T214-D218 WeakPolarHBondContact O-CB 3.49Å; T214-D218 PolarHBondContact O-N 3.32Å
215	F	85.3	Confident	84.6	Confident	44 Å²	44	40.9 Å²	40.9	19%	0.193	21%	0.209	C	C	.	.	H	α-helix	trans	-56.5	-50.3	175.6	171.9	-96.8	0	0	0	112.6	L175 L189 Y201 D211 M212 A217 D218 A219	L175-F215 HydrophobicContact CD1-CD2 4.31Å; L175-F215 HydrophobicContact CD1-CE1 3.9Å; L175-F215 HydrophobicContact CD1-CE2 3.57Å; L175-F215 HydrophobicContact CD1-CZ 3.33Å; L189-F215 HydrophobicContact CD1-CE2 3.39Å; L189-F215 HydrophobicContact CD1-CZ 3.63Å; L189-F215 HydrophobicContact CD2-CZ 3.91Å; L189-F215 HydrophobicContact CG-CZ 4.4Å; Y201-F215 AromaticContact CD2-CD1 3.92Å; Y201-F215 HydrophobicContact CD2-CD1 3.92Å; Y201-F215 AromaticContact CD2-CE1 3.93Å; Y201-F215 HydrophobicContact CD2-CE1 3.93Å; Y201-F215 AromaticContact CE2-CD1 3.48Å; Y201-F215 HydrophobicContact CE2-CD1 3.48Å; Y201-F215 VanDerWaalsContact CE2-CD1 3.48Å; Y201-F215 AromaticContact CE2-CE1 3.79Å; Y201-F215 HydrophobicContact CE2-CE1 3.79Å; Y201-F215 HydrophobicContact CE2-CG 4.34Å; D211-F215 VanDerWaalsContact O-CB 3.22Å; D211-F215 WeakPolarHBondContact O-CB 3.31Å; D211-F215 PolarHBondContact O-N 2.78Å; M212-F215 WeakPolarHBondContact O-CB 3.5Å; M212-F215 PolarHBondContact O-N 2.83Å; F215-A217 VanDerWaalsContact C-N 3.31Å; F215-A217 PolarHBondContact O-N 2.95Å; F215-D218 PolarHBondContact O-N 2.78Å; F215-A219 VanDerWaalsContact O-CB 3.24Å; F215-A219 WeakPolarHBondContact O-CB 3.31Å; F215-A219 PolarHBondContact O-N 3.4Å
216	L	87.2	Confident	83.7	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-65.6	-35.4	179	-71.6	177.1	0	0	0	111.8	Y201 M212 T214 S220 V251 I253 F313 L316	Y201-L216 HydrophobicContact CD2-CD2 4.23Å; M212-L216 HydrophobicContact CG-CD1 4.08Å; M212-L216 HydrophobicContact CG-CG 4.48Å; M212-L216 WeakPolarHBondContact O-CB 3.4Å; M212-L216 VanDerWaalsContact O-CG 3.3Å; M212-L216 WeakPolarHBondContact O-CG 3.39Å; M212-L216 PolarHBondContact O-N 2.98Å; T214-L216 PolarHBondContact O-N 3.33Å; L216-S220 WeakPolarHBondContact O-CB 3.44Å; L216-S220 PolarHBondContact O-N 3.15Å; L216-V251 HydrophobicContact CD2-CG1 3.92Å; L216-I253 HydrophobicContact CD1-CD1 3.7Å; L216-I253 HydrophobicContact CD1-CG1 4.08Å; L216-F313 HydrophobicContact CB-CE2 4.41Å; L216-F313 HydrophobicContact CD2-CE2 4.46Å; L216-F313 VanDerWaalsContact O-CE2 3.28Å; L216-F313 WeakPolarHBondContact O-CE2 3.37Å; L216-F313 WeakPolarHBondContact O-CZ 3.2Å; L216-L316 HydrophobicContact CD1-CD1 4.39Å
217	A	84.6	Confident	83	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-66.5	-53	173.1	0	0	0	0	0	111.9	F213 T214 F215 A219 S220 D221 L303 R308 N309	F213-A217 WeakPolarHBondContact O-CB 3.5Å; F213-A217 PolarHBondContact O-N 3.03Å; T214-A217 WeakPolarHBondContact O-CB 3.39Å; T214-A217 PolarHBondContact O-N 3.48Å; F215-A217 VanDerWaalsContact C-N 3.31Å; F215-A217 PolarHBondContact O-N 2.95Å; A217-A219 VanDerWaalsContact C-N 3.26Å; A217-A219 PolarHBondContact O-N 3.27Å; A217-S220 CarbonylContact O-C 3.59Å; A217-S220 WeakPolarHBondContact O-CA 3.32Å; A217-S220 WeakPolarHBondContact O-CB 3.47Å; A217-S220 PolarHBondContact O-N 3.47Å; A217-D221 WeakPolarHBondContact O-CB 3.28Å; A217-D221 PolarHBondContact O-N 3.05Å; A217-L303 HydrophobicContact CB-CD2 4.28Å; A217-R308 HydrophobicContact CB-CB 3.67Å; A217-R308 HydrophobicContact CB-CG 3.94Å; A217-N309 WeakPolarHBondContact CA-O 3.47Å
218	D	82.7	Confident	82.1	Confident	68 Å²	68	36.6 Å²	36.6	36%	0.364	19%	0.187	S	C	.	.	H	α-helix	trans	-61.6	-33.9	179.5	-72.4	-33.8	0	0	0	112.1	T214 F215 A222 R308	T214-D218 WeakPolarHBondContact CG2-OD2 3.41Å; T214-D218 WeakPolarHBondContact O-CB 3.49Å; T214-D218 PolarHBondContact O-N 3.32Å; F215-D218 PolarHBondContact O-N 2.78Å; D218-A222 WeakPolarHBondContact O-CB 3.48Å; D218-A222 PolarHBondContact O-N 2.81Å; D218-R308 IonicContact OD1-CZ 3.91Å; D218-R308 IonicContact OD1-NH1 2.74Å; D218-R308 PolarHBondContact OD1-NH1 2.73Å; D218-R308 IonicContact OD1-NH2 2.82Å; D218-R308 PolarHBondContact OD1-NH2 2.97Å; D218-R308 IonicContact OD2-NH2 3.26Å
219	A	83.1	Confident	81.3	Confident	14 Å²	14	39.3 Å²	39.3	12%	0.116	21%	0.206	C	C	.	.	H	α-helix	trans	-68.4	-35.3	171.2	0	0	0	0	0	112.7	F193 F215 A217 F223 F313	F193-A219 HydrophobicContact CE1-CB 4.41Å; F193-A219 HydrophobicContact CZ-CB 4.34Å; F215-A219 VanDerWaalsContact O-CB 3.24Å; F215-A219 WeakPolarHBondContact O-CB 3.31Å; F215-A219 PolarHBondContact O-N 3.4Å; A217-A219 VanDerWaalsContact C-N 3.26Å; A217-A219 PolarHBondContact O-N 3.27Å; A219-F223 WeakPolarHBondContact O-CB 3.46Å; A219-F223 PolarHBondContact O-N 3.08Å; A219-F313 HydrophobicContact CB-CZ 4.21Å
220	S	84.9	Confident	80.4	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-72	-46.7	175.5	-125	0	0	0	0	112.3	L216 A217 F223 S224 A310 A312 F313	L216-S220 WeakPolarHBondContact O-CB 3.44Å; L216-S220 PolarHBondContact O-N 3.15Å; A217-S220 CarbonylContact O-C 3.59Å; A217-S220 WeakPolarHBondContact O-CA 3.32Å; A217-S220 WeakPolarHBondContact O-CB 3.47Å; A217-S220 PolarHBondContact O-N 3.47Å; S220-F223 PolarHBondContact O-N 3.23Å; S220-S224 WeakPolarHBondContact O-CB 3.38Å; S220-S224 PolarHBondContact O-N 3.48Å; S220-S224 PolarHBondContact O-OG 3.37Å; S220-A310 VanDerWaalsContact OG-CA 3.31Å; S220-A310 WeakPolarHBondContact OG-CA 3.23Å; S220-A310 PolarHBondContact OG-O 3.08Å; S220-A312 WeakPolarHBondContact O-CB 3.31Å; S220-A312 VanDerWaalsContact OG-CB 3.23Å; S220-A312 WeakPolarHBondContact OG-CB 3.47Å; S220-A312 PolarHBondContact OG-N 3.02Å; S220-A312 VanDerWaalsContact OG-N 3.12Å; S220-F313 WeakPolarHBondContact OG-CE1 3.49Å; S220-F313 WeakPolarHBondContact OG-CE2 3.12Å; S220-F313 VanDerWaalsContact OG-CZ 3.3Å; S220-F313 WeakPolarHBondContact OG-CZ 3.45Å
221	D	81.2	Confident	79.5	Confident	51 Å²	51	35.1 Å²	35.1	27%	0.273	18%	0.182	S	C	.	.	H	α-helix	trans	-62.1	-46.4	177.4	-69.9	-30.1	0	0	0	109.2	A217 S224 E225 R308 N309	A217-D221 WeakPolarHBondContact O-CB 3.28Å; A217-D221 PolarHBondContact O-N 3.05Å; D221-S224 WeakPolarHBondContact O-CB 3.25Å; D221-S224 PolarHBondContact O-N 3.1Å; D221-E225 VanDerWaalsContact O-CB 3.32Å; D221-E225 WeakPolarHBondContact O-CB 3.4Å; D221-E225 PolarHBondContact O-N 3.06Å; D221-R308 IonicContact OD2-CZ 2.89Å; D221-R308 IonicContact OD2-NH1 2.87Å; D221-R308 PolarHBondContact OD2-NH1 3.47Å; D221-N309 PolarHBondContact OD1-ND2 3.4Å
222	A	77.6	Confident	78.9	Confident	2 Å²	2	35.4 Å²	35.4	2%	0.017	18%	0.181	C	C	.	.	H	α-helix	trans	-67.3	-40.3	176.8	0	0	0	0	0	113.6	L190 D218 S224 E225 H226	L190-A222 HydrophobicContact CD1-CB 4.49Å; L190-A222 HydrophobicContact CD2-CB 3.95Å; D218-A222 WeakPolarHBondContact O-CB 3.48Å; D218-A222 PolarHBondContact O-N 2.81Å; A222-S224 VanDerWaalsContact C-N 3.31Å; A222-S224 PolarHBondContact O-N 3.05Å; A222-E225 PolarHBondContact O-N 3.26Å; A222-H226 WeakPolarHBondContact O-CB 3.01Å; A222-H226 PolarHBondContact O-N 3.17Å; A222-H226 PolarHBondContact O-ND1 3.26Å
223	F	80.6	Confident	78.1	Confident	5 Å²	5	37.4 Å²	37.4	2%	0.022	20%	0.198	C	C	.	.	H	α-helix	trans	-59.7	-45.5	173.1	-179.6	-74.2	0	0	0	110.4	F193 A219 S220 F227 L231 A312	F193-F223 HydrophobicContact CB-CD2 4.12Å; A219-F223 WeakPolarHBondContact O-CB 3.46Å; A219-F223 PolarHBondContact O-N 3.08Å; S220-F223 PolarHBondContact O-N 3.23Å; F223-F227 HydrophobicContact CD1-CD2 4.17Å; F223-F227 AromaticContact CD2-CD2 3.87Å; F223-F227 HydrophobicContact CD2-CD2 3.87Å; F223-F227 HydrophobicContact CD2-CE2 4.07Å; F223-F227 HydrophobicContact CE1-CB 4.48Å; F223-F227 HydrophobicContact CE1-CD2 4.24Å; F223-F227 AromaticContact CE2-CD2 3.97Å; F223-F227 HydrophobicContact CE2-CD2 3.97Å; F223-F227 HydrophobicContact CE2-CE2 4.24Å; F223-F227 AromaticContact CG-CD2 3.97Å; F223-F227 HydrophobicContact CG-CD2 3.97Å; F223-F227 HydrophobicContact CZ-CD2 4.13Å; F223-F227 WeakPolarHBondContact O-CD2 3.5Å; F223-F227 PolarHBondContact O-N 3.44Å; F223-L231 HydrophobicContact CE1-CD1 4.28Å; F223-A312 HydrophobicContact CB-CB 4.19Å; F223-A312 HydrophobicContact CD1-CB 3.77Å; F223-A312 HydrophobicContact CG-CB 4.23Å
224	S	78.1	Confident	77	Confident	21 Å²	21	37.3 Å²	37.3	15%	0.147	20%	0.198	C	C	.	.	H	α-helix	trans	-60.9	-50.3	177.6	-58.4	0	0	0	0	110.9	S220 D221 A222 H226 R228 A312	S220-S224 WeakPolarHBondContact O-CB 3.38Å; S220-S224 PolarHBondContact O-N 3.48Å; S220-S224 PolarHBondContact O-OG 3.37Å; D221-S224 WeakPolarHBondContact O-CB 3.25Å; D221-S224 PolarHBondContact O-N 3.1Å; A222-S224 VanDerWaalsContact C-N 3.31Å; A222-S224 PolarHBondContact O-N 3.05Å; S224-H226 PolarHBondContact O-N 2.92Å; S224-R228 WeakPolarHBondContact O-CA 3.41Å; S224-R228 WeakPolarHBondContact O-CB 3.4Å; S224-R228 PolarHBondContact O-N 3.22Å; S224-A312 WeakPolarHBondContact OG-CB 3.4Å
225	E	74.8	Confident	76.1	Confident	126 Å²	126	35.4 Å²	35.4	59%	0.589	19%	0.188	S	C	*	.	H	α-helix	trans	-55.5	-47.7	179.3	-179.9	176.7	-132.5	0	0	112.6	R186 D221 A222	R186-E225 IonicContact NH2-OE2 2.6Å; D221-E225 VanDerWaalsContact O-CB 3.32Å; D221-E225 WeakPolarHBondContact O-CB 3.4Å; D221-E225 PolarHBondContact O-N 3.06Å; A222-E225 PolarHBondContact O-N 3.26Å
226	H	72.5	Confident	75.4	Confident	33 Å²	33	41.2 Å²	41.2	15%	0.153	22%	0.215	C	C	.	.	H	α-helix	trans	-78.2	-33.9	-173.6	-71.2	76.9	0	0	0	113.7	A222 S224 R365 F366	A222-H226 WeakPolarHBondContact O-CB 3.01Å; A222-H226 PolarHBondContact O-N 3.17Å; A222-H226 PolarHBondContact O-ND1 3.26Å; S224-H226 PolarHBondContact O-N 2.92Å; H226-R365 PolarHBondContact O-NH2 3.39Å; H226-F366 AromaticContact CD2-CE1 3.62Å
227	F	73.7	Confident	74.4	Confident	8 Å²	8	48.6 Å²	48.6	4%	0.035	24%	0.243	C	C	.	.	H	α-helix	trans	-106.2	-14.8	-174.3	-60.7	-63.7	0	0	0	114.3	A194 F223 D230 L231 L362 F366	A194-F227 HydrophobicContact CB-CE2 3.88Å; A194-F227 HydrophobicContact CB-CZ 3.68Å; F223-F227 HydrophobicContact CD1-CD2 4.17Å; F223-F227 AromaticContact CD2-CD2 3.87Å; F223-F227 HydrophobicContact CD2-CD2 3.87Å; F223-F227 HydrophobicContact CD2-CE2 4.07Å; F223-F227 HydrophobicContact CE1-CB 4.48Å; F223-F227 HydrophobicContact CE1-CD2 4.24Å; F223-F227 AromaticContact CE2-CD2 3.97Å; F223-F227 HydrophobicContact CE2-CD2 3.97Å; F223-F227 HydrophobicContact CE2-CE2 4.24Å; F223-F227 AromaticContact CG-CD2 3.97Å; F223-F227 HydrophobicContact CG-CD2 3.97Å; F223-F227 HydrophobicContact CZ-CD2 4.13Å; F223-F227 WeakPolarHBondContact O-CD2 3.5Å; F223-F227 PolarHBondContact O-N 3.44Å; F227-D230 PolarHBondContact O-N 2.88Å; F227-D230 VanDerWaalsContact O-N 3.15Å; F227-L231 HydrophobicContact CB-CD1 3.8Å; F227-L231 HydrophobicContact CB-CG 4.22Å; F227-L231 WeakPolarHBondContact O-CB 3.24Å; F227-L231 WeakPolarHBondContact O-CG 3.25Å; F227-L231 PolarHBondContact O-N 3.25Å; F227-L362 HydrophobicContact CE1-CD2 3.83Å; F227-L362 HydrophobicContact CZ-CD1 4.39Å; F227-L362 HydrophobicContact CZ-CD2 4.02Å; F227-F366 HydrophobicContact CZ-CE2 4.36Å; F227-F366 HydrophobicContact CZ-CZ 4.12Å
228	R	70.8	Confident	73.3	Confident	111 Å²	111	50.8 Å²	50.8	42%	0.419	26%	0.257	S	S	.	.	H	α-helix	trans	-46.5	-50.7	179	162.7	178	-92.2	124.1	-3.1	113.5	S224 D230 L231 E232	S224-R228 WeakPolarHBondContact O-CA 3.41Å; S224-R228 WeakPolarHBondContact O-CB 3.4Å; S224-R228 PolarHBondContact O-N 3.22Å; R228-D230 VanDerWaalsContact C-N 3.32Å; R228-D230 PolarHBondContact O-N 3.4Å; R228-L231 PolarHBondContact O-N 3.13Å; R228-E232 VanDerWaalsContact CD-OE1 3.28Å; R228-E232 WeakPolarHBondContact CD-OE1 3.18Å; R228-E232 HydrophobicContact CG-CG 4.01Å; R228-E232 VanDerWaalsContact CG-OE1 3.26Å; R228-E232 WeakPolarHBondContact CG-OE1 3.46Å; R228-E232 WeakPolarHBondContact CG-OE2 3.31Å; R228-E232 IonicContact CZ-OE1 3.44Å; R228-E232 IonicContact NE-OE1 3.27Å; R228-E232 PolarHBondContact NE-OE1 3.24Å; R228-E232 WeakPolarHBondContact O-CB 3.49Å; R228-E232 WeakPolarHBondContact O-CG 3.5Å; R228-E232 PolarHBondContact O-N 2.82Å
229	P	71.7	Confident	72.3	Confident	79 Å²	79	50.9 Å²	50.9	51%	0.513	27%	0.273	S	S	.	.	H	α-helix	trans	-62	-40	-176	-23.7	35.2	0	0	0	112.6	A233	P229-A233 WeakPolarHBondContact O-CB 3.46Å; P229-A233 PolarHBondContact O-N 2.94Å
230	D	68.3	Low	71.4	Confident	29 Å²	29	51 Å²	51	16%	0.155	27%	0.272	C	S	.	.	H	α-helix	trans	-68	-38.8	177.7	-60.5	-58.2	0	0	0	111.4	F227 R228 L234 R365 V378	F227-D230 PolarHBondContact O-N 2.88Å; F227-D230 VanDerWaalsContact O-N 3.15Å; R228-D230 VanDerWaalsContact C-N 3.32Å; R228-D230 PolarHBondContact O-N 3.4Å; D230-L234 PolarHBondContact O-N 3.4Å; D230-L234 VanDerWaalsContact O-N 3.1Å; D230-R365 IonicContact OD1-NH1 3.55Å; D230-R365 IonicContact OD2-CZ 3.08Å; D230-R365 IonicContact OD2-NH1 3.39Å; D230-R365 PolarHBondContact OD2-NH1 2.82Å; D230-R365 IonicContact OD2-NH2 3.21Å; D230-R365 PolarHBondContact OD2-NH2 2.9Å; D230-V378 HydrophobicContact CB-CG2 4.02Å
231	L	67.1	Low	70.2	Confident	11 Å²	11	56.3 Å²	56.3	6%	0.058	31%	0.307	C	S	.	.	H	α-helix	trans	-73.7	-41.8	-179.7	-64.7	169.1	0	0	0	112.8	F223 F227 R228 L234 A235 L247 V378 F382	F223-L231 HydrophobicContact CE1-CD1 4.28Å; F227-L231 HydrophobicContact CB-CD1 3.8Å; F227-L231 HydrophobicContact CB-CG 4.22Å; F227-L231 WeakPolarHBondContact O-CB 3.24Å; F227-L231 WeakPolarHBondContact O-CG 3.25Å; F227-L231 PolarHBondContact O-N 3.25Å; R228-L231 PolarHBondContact O-N 3.13Å; L231-L234 PolarHBondContact O-N 2.89Å; L231-A235 WeakPolarHBondContact O-CB 3.49Å; L231-A235 PolarHBondContact O-N 3.16Å; L231-L247 HydrophobicContact CB-CD1 4.08Å; L231-L247 HydrophobicContact CD1-CB 4.33Å; L231-L247 HydrophobicContact CD1-CD1 4.37Å; L231-L247 HydrophobicContact CD2-CB 4.23Å; L231-L247 HydrophobicContact CD2-CD1 3.82Å; L231-L247 HydrophobicContact CG-CD1 4.3Å; L231-V378 HydrophobicContact CD2-CG1 3.95Å; L231-F382 HydrophobicContact CD2-CE2 3.46Å; L231-F382 VanDerWaalsContact CD2-CE2 3.46Å; L231-F382 HydrophobicContact CD2-CZ 3.42Å; L231-F382 VanDerWaalsContact CD2-CZ 3.42Å
232	E	71	Confident	69.4	Low	76 Å²	76	55.8 Å²	55.8	36%	0.355	30%	0.301	S	S	.	.	H	α-helix	trans	-65.9	-45.7	175.2	-73.7	173.2	172.3	0	0	110	R228 L234 A235 E236 P244	R228-E232 VanDerWaalsContact CD-OE1 3.28Å; R228-E232 WeakPolarHBondContact CD-OE1 3.18Å; R228-E232 HydrophobicContact CG-CG 4.01Å; R228-E232 VanDerWaalsContact CG-OE1 3.26Å; R228-E232 WeakPolarHBondContact CG-OE1 3.46Å; R228-E232 WeakPolarHBondContact CG-OE2 3.31Å; R228-E232 IonicContact CZ-OE1 3.44Å; R228-E232 IonicContact NE-OE1 3.27Å; R228-E232 PolarHBondContact NE-OE1 3.24Å; R228-E232 WeakPolarHBondContact O-CB 3.49Å; R228-E232 WeakPolarHBondContact O-CG 3.5Å; R228-E232 PolarHBondContact O-N 2.82Å; E232-L234 VanDerWaalsContact C-N 3.32Å; E232-L234 PolarHBondContact O-N 2.93Å; E232-A235 PolarHBondContact O-N 2.89Å; E232-A235 VanDerWaalsContact O-N 3.11Å; E232-E236 PolarHBondContact O-N 2.81Å; E232-P244 HydrophobicContact CG-CB 4.43Å; E232-P244 HydrophobicContact CG-CG 3.5Å; E232-P244 VanDerWaalsContact CG-CG 3.5Å; E232-P244 WeakPolarHBondContact OE1-CG 3.29Å
233	A	71.7	Confident	68.6	Low	45 Å²	45	59.5 Å²	59.5	37%	0.372	32%	0.324	S	S	.	.	H	α-helix	trans	-62	-34.3	175.6	0	0	0	0	0	113.4	P229 R237	P229-A233 WeakPolarHBondContact O-CB 3.46Å; P229-A233 PolarHBondContact O-N 2.94Å; A233-R237 WeakPolarHBondContact O-CB 3.5Å; A233-R237 VanDerWaalsContact O-CG 3.23Å; A233-R237 WeakPolarHBondContact O-CG 3.49Å; A233-R237 PolarHBondContact O-N 3.19Å; A233-R237 VanDerWaalsContact O-N 3.13Å
234	L	65.2	Low	67.4	Low	2 Å²	2	60.7 Å²	60.7	1%	0.01	33%	0.332	C	S	.	.	H	α-helix	trans	-66.1	-52.1	169.1	174.1	122	0	0	0	111	D230 L231 E232 E236 R237 T238 L240 W242 V378 E379 F382 V399	D230-L234 PolarHBondContact O-N 3.4Å; D230-L234 VanDerWaalsContact O-N 3.1Å; L231-L234 PolarHBondContact O-N 2.89Å; E232-L234 VanDerWaalsContact C-N 3.32Å; E232-L234 PolarHBondContact O-N 2.93Å; L234-E236 PolarHBondContact O-N 3.11Å; L234-R237 PolarHBondContact O-N 3.15Å; L234-R237 VanDerWaalsContact O-N 3.1Å; L234-T238 HydrophobicContact CD1-CG2 4.44Å; L234-T238 HydrophobicContact CG-CG2 4.24Å; L234-T238 WeakPolarHBondContact O-CB 3.48Å; L234-T238 PolarHBondContact O-N 3.5Å; L234-T238 PolarHBondContact O-OG1 3.14Å; L234-L240 HydrophobicContact CD2-CD1 3.82Å; L234-W242 HydrophobicContact CD2-CE3 4.31Å; L234-W242 HydrophobicContact CD2-CZ3 3.89Å; L234-V378 HydrophobicContact CB-CB 4Å; L234-V378 HydrophobicContact CB-CG1 3.51Å; L234-V378 HydrophobicContact CD1-CB 3.65Å; L234-V378 HydrophobicContact CD1-CG1 3.72Å; L234-V378 HydrophobicContact CD2-CG1 4.15Å; L234-V378 HydrophobicContact CG-CB 4.36Å; L234-V378 HydrophobicContact CG-CG1 3.96Å; L234-E379 HydrophobicContact CD1-CB 4.22Å; L234-E379 HydrophobicContact CD1-CG 3.51Å; L234-F382 HydrophobicContact CD2-CD2 4.21Å; L234-V399 HydrophobicContact CD1-CG1 4.35Å
235	A	66.7	Low	66.4	Low	18 Å²	18	60.9 Å²	60.9	15%	0.149	34%	0.337	C	S	.	.	H	α-helix	trans	-55.9	-40.6	-176.1	0	0	0	0	0	111.9	L231 E232 G239 L240	L231-A235 WeakPolarHBondContact O-CB 3.49Å; L231-A235 PolarHBondContact O-N 3.16Å; E232-A235 PolarHBondContact O-N 2.89Å; E232-A235 VanDerWaalsContact O-N 3.11Å; A235-G239 WeakPolarHBondContact O-CA 3.41Å; A235-G239 PolarHBondContact O-N 3.48Å; A235-L240 PolarHBondContact O-N 2.74Å; A235-L240 VanDerWaalsContact O-N 3.09Å
236	E	69.4	Low	65.9	Low	165 Å²	165	59.9 Å²	59.9	77%	0.771	33%	0.332	S	S	*	.	H	α-helix	trans	-63.4	-54	171.5	-70.3	-173.7	166.8	0	0	112.7	E232 L234 T238 G239	E232-E236 PolarHBondContact O-N 2.81Å; L234-E236 PolarHBondContact O-N 3.11Å; E236-T238 PolarHBondContact O-N 3.15Å; E236-T238 VanDerWaalsContact O-N 3.11Å; E236-G239 PolarHBondContact O-N 2.95Å
237	R	65.9	Low	65.9	Low	157 Å²	157	58.4 Å²	58.4	59%	0.592	33%	0.326	S	S	*	.	H	α-helix	trans	-59	-24.8	-178.7	-79.7	177.3	61.5	-131.9	-10.9	114.1	A233 L234 E379	A233-R237 WeakPolarHBondContact O-CB 3.5Å; A233-R237 VanDerWaalsContact O-CG 3.23Å; A233-R237 WeakPolarHBondContact O-CG 3.49Å; A233-R237 PolarHBondContact O-N 3.19Å; A233-R237 VanDerWaalsContact O-N 3.13Å; L234-R237 PolarHBondContact O-N 3.15Å; L234-R237 VanDerWaalsContact O-N 3.1Å; R237-E379 IonicContact CZ-OE1 2.74Å; R237-E379 IonicContact NH1-OE1 3.46Å; R237-E379 PolarHBondContact NH1-OE1 3.43Å; R237-E379 IonicContact NH2-OE1 3.46Å; R237-E379 PolarHBondContact NH2-OE1 3.35Å
238	T	62.8	Low	66.1	Low	46 Å²	46	58 Å²	58	28%	0.282	32%	0.324	S	S	.	.	H	α-helix	trans	-116.8	-4.8	-170.6	57.5	0	0	0	0	113.8	L234 E236 L240 V399	L234-T238 HydrophobicContact CD1-CG2 4.44Å; L234-T238 HydrophobicContact CG-CG2 4.24Å; L234-T238 WeakPolarHBondContact O-CB 3.48Å; L234-T238 PolarHBondContact O-N 3.5Å; L234-T238 PolarHBondContact O-OG1 3.14Å; E236-T238 PolarHBondContact O-N 3.15Å; E236-T238 VanDerWaalsContact O-N 3.11Å; T238-L240 VanDerWaalsContact C-N 3.33Å; T238-L240 PolarHBondContact O-N 2.86Å; T238-L240 WeakPolarHBondContact OG1-CD1 3.45Å; T238-L240 WeakPolarHBondContact OG1-CG 3.42Å; T238-V399 HydrophobicContact CG2-CG1 3.81Å
239	G	62.2	Low	67	Low	69 Å²	69	52.8 Å²	52.8	71%	0.711	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	30.6	179.4	0	0	0	0	0	114	A235 E236	A235-G239 WeakPolarHBondContact O-CA 3.41Å; A235-G239 PolarHBondContact O-N 3.48Å; E236-G239 PolarHBondContact O-N 2.95Å
240	L	62.6	Low	68	Low	16 Å²	16	49.6 Å²	49.6	8%	0.084	28%	0.283	C	S	.	.			trans	-84.7	135.7	-170.7	-66.9	171.4	0	0	0	112.2	L234 A235 T238 W242 P385 V399	L234-L240 HydrophobicContact CD2-CD1 3.82Å; A235-L240 PolarHBondContact O-N 2.74Å; A235-L240 VanDerWaalsContact O-N 3.09Å; T238-L240 VanDerWaalsContact C-N 3.33Å; T238-L240 PolarHBondContact O-N 2.86Å; T238-L240 WeakPolarHBondContact OG1-CD1 3.45Å; T238-L240 WeakPolarHBondContact OG1-CG 3.42Å; L240-W242 HydrophobicContact CB-CD2 4.01Å; L240-W242 HydrophobicContact CB-CE3 3.98Å; L240-W242 HydrophobicContact CB-CG 4.44Å; L240-W242 HydrophobicContact CB-CZ3 4.39Å; L240-W242 HydrophobicContact CD1-CD2 4.46Å; L240-W242 HydrophobicContact CD1-CE3 3.82Å; L240-W242 HydrophobicContact CD1-CH2 3.6Å; L240-W242 HydrophobicContact CD1-CZ2 4.27Å; L240-W242 HydrophobicContact CD1-CZ3 3.36Å; L240-W242 HydrophobicContact CD2-CH2 4.47Å; L240-W242 HydrophobicContact CD2-CZ2 4.43Å; L240-W242 HydrophobicContact CG-CE3 4.46Å; L240-W242 HydrophobicContact CG-CZ3 4.38Å; L240-W242 PolarHBondContact O-N 2.93Å; L240-P385 HydrophobicContact CD2-CB 3.55Å; L240-P385 HydrophobicContact CD2-CG 3.32Å; L240-V399 HydrophobicContact CD1-CG1 4.01Å; L240-V399 HydrophobicContact CD1-CG2 3.79Å
241	P	60.9	Low	69.2	Low	113 Å²	113	48.2 Å²	48.2	73%	0.734	28%	0.276	S	S	*	.			trans	-83	42.4	-173.5	37.2	-39	0	0	0	112.3
242	W	62.7	Low	70.5	Confident	39 Å²	39	47.7 Å²	47.7	15%	0.148	27%	0.273	C	S	.	.			trans	-103.7	137.8	-175.8	-61.4	-28.3	0	0	0	111.1	L234 L240 L247 F382 V399	L234-W242 HydrophobicContact CD2-CE3 4.31Å; L234-W242 HydrophobicContact CD2-CZ3 3.89Å; L240-W242 HydrophobicContact CB-CD2 4.01Å; L240-W242 HydrophobicContact CB-CE3 3.98Å; L240-W242 HydrophobicContact CB-CG 4.44Å; L240-W242 HydrophobicContact CB-CZ3 4.39Å; L240-W242 HydrophobicContact CD1-CD2 4.46Å; L240-W242 HydrophobicContact CD1-CE3 3.82Å; L240-W242 HydrophobicContact CD1-CH2 3.6Å; L240-W242 HydrophobicContact CD1-CZ2 4.27Å; L240-W242 HydrophobicContact CD1-CZ3 3.36Å; L240-W242 HydrophobicContact CD2-CH2 4.47Å; L240-W242 HydrophobicContact CD2-CZ2 4.43Å; L240-W242 HydrophobicContact CG-CE3 4.46Å; L240-W242 HydrophobicContact CG-CZ3 4.38Å; L240-W242 PolarHBondContact O-N 2.93Å; W242-L247 HydrophobicContact CB-CD1 4.42Å; W242-L247 HydrophobicContact CB-CD2 4.11Å; W242-L247 HydrophobicContact CD2-CD2 3.73Å; W242-L247 HydrophobicContact CE3-CD1 4.2Å; W242-L247 HydrophobicContact CE3-CD2 3.58Å; W242-L247 HydrophobicContact CG-CD2 3.97Å; W242-L247 HydrophobicContact CZ3-CD2 4.22Å; W242-F382 HydrophobicContact CH2-CB 3.36Å; W242-F382 HydrophobicContact CH2-CG 4.01Å; W242-F382 HydrophobicContact CZ2-CB 4.45Å; W242-F382 HydrophobicContact CZ3-CB 3.53Å; W242-F382 HydrophobicContact CZ3-CD1 4.36Å; W242-F382 HydrophobicContact CZ3-CD2 4.05Å; W242-F382 AromaticContact CZ3-CG 3.69Å; W242-F382 HydrophobicContact CZ3-CG 3.69Å; W242-V399 HydrophobicContact CH2-CG2 3.71Å; W242-V399 HydrophobicContact CZ3-CG2 4.24Å
243	T	61	Low	71.6	Confident	81 Å²	81	44.1 Å²	44.1	50%	0.497	26%	0.256	S	S	.	.			trans	-81.5	146.5	158.1	54	0	0	0	0	108.7	G245 Q246	T243-G245 PolarHBondContact O-N 2.76Å; T243-Q246 PolarHBondContact O-N 2.77Å
244	P	55.8	Low	72.8	Confident	30 Å²	30	42 Å²	42	20%	0.195	24%	0.239	C	C	.	.	S	Bend	trans	-56.8	-35.6	178.9	-26.5	34.5	0	0	0	112.7	E232 Q246 L247	E232-P244 HydrophobicContact CG-CB 4.43Å; E232-P244 HydrophobicContact CG-CG 3.5Å; E232-P244 VanDerWaalsContact CG-CG 3.5Å; E232-P244 WeakPolarHBondContact OE1-CG 3.29Å; P244-Q246 PolarHBondContact O-N 3.06Å; P244-L247 PolarHBondContact O-N 3.49Å
245	G	57.1	Low	74.2	Confident	25 Å²	25	42.1 Å²	42.1	26%	0.258	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	51.2	171.1	0	0	0	0	0	114.3	T243 N311	T243-G245 PolarHBondContact O-N 2.76Å; G245-N311 CarbonylContact C-O 3.57Å; G245-N311 WeakPolarHBondContact CA-O 3.44Å
246	Q	64.2	Low	75.5	Confident	104 Å²	104	41.6 Å²	41.6	49%	0.486	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-147	1.7	164.5	-73.3	-168.2	-20.2	0	0	112.9	T243 P244 S314	T243-Q246 PolarHBondContact O-N 2.77Å; P244-Q246 PolarHBondContact O-N 3.06Å; Q246-S314 WeakPolarHBondContact O-CB 3.47Å
247	L	72.1	Confident	76.6	Confident	3 Å²	3	33.8 Å²	33.8	2%	0.016	20%	0.197	C	C	.	.			trans	-103.9	-8.3	-162.3	-61.5	178.8	0	0	0	114.5	L231 W242 P244 V346 R347 F382	L231-L247 HydrophobicContact CB-CD1 4.08Å; L231-L247 HydrophobicContact CD1-CB 4.33Å; L231-L247 HydrophobicContact CD1-CD1 4.37Å; L231-L247 HydrophobicContact CD2-CB 4.23Å; L231-L247 HydrophobicContact CD2-CD1 3.82Å; L231-L247 HydrophobicContact CG-CD1 4.3Å; W242-L247 HydrophobicContact CB-CD1 4.42Å; W242-L247 HydrophobicContact CB-CD2 4.11Å; W242-L247 HydrophobicContact CD2-CD2 3.73Å; W242-L247 HydrophobicContact CE3-CD1 4.2Å; W242-L247 HydrophobicContact CE3-CD2 3.58Å; W242-L247 HydrophobicContact CG-CD2 3.97Å; W242-L247 HydrophobicContact CZ3-CD2 4.22Å; P244-L247 PolarHBondContact O-N 3.49Å; L247-V346 HydrophobicContact CD2-CG1 4.26Å; L247-R347 VanDerWaalsContact O-CZ 3.24Å; L247-R347 PolarHBondContact O-NE 2.89Å; L247-R347 PolarHBondContact O-NH2 2.8Å; L247-F382 HydrophobicContact CB-CE1 3.69Å; L247-F382 HydrophobicContact CB-CZ 3.86Å; L247-F382 HydrophobicContact CD1-CZ 4.45Å; L247-F382 HydrophobicContact CD2-CD1 4.03Å; L247-F382 HydrophobicContact CD2-CE1 3.94Å; L247-F382 HydrophobicContact CD2-CZ 4.5Å; L247-F382 HydrophobicContact CG-CE1 4.29Å; L247-F382 HydrophobicContact CG-CZ 4.49Å; L247-F382 WeakPolarHBondContact O-CE1 3.5Å
248	G	79.4	Confident	77.8	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	178.1	174.7	0	0	0	0	0	114.5	A312 S314 R347	G248-A312 WeakPolarHBondContact CA-O 3.36Å; G248-A312 PolarHBondContact N-O 3Å; G248-S314 VanDerWaalsContact O-CB 3.31Å; G248-S314 WeakPolarHBondContact O-CB 3.16Å; G248-S314 PolarHBondContact O-N 2.79Å; G248-S314 PolarHBondContact O-OG 3.34Å; G248-R347 VanDerWaalsContact C-NE 3.3Å; G248-R347 PolarHBondContact O-NE 2.93Å
249	P	89.4	Confident	79	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	166.3	179.1	29.3	-36.2	0	0	0	112.1	F193 V199 F313 S314	F193-P249 HydrophobicContact CB-CG 4.46Å; F193-P249 HydrophobicContact CD1-CG 3.83Å; F193-P249 HydrophobicContact CG-CG 4.46Å; F193-P249 WeakPolarHBondContact O-CD 3.13Å; F193-P249 WeakPolarHBondContact O-CG 3.24Å; V199-P249 HydrophobicContact CG2-CB 3.96Å; V199-P249 HydrophobicContact CG2-CG 3.87Å; P249-F313 HydrophobicContact CG-CD1 4.49Å; P249-F313 WeakPolarHBondContact O-CA 3.33Å; P249-F313 WeakPolarHBondContact O-CB 3.5Å; P249-S314 VanDerWaalsContact C-OG 3.31Å; P249-S314 PolarHBondContact O-N 2.95Å; P249-S314 VanDerWaalsContact O-N 3.13Å; P249-S314 PolarHBondContact O-OG 3.29Å
250	V	92	Very high	80.2	Confident	13 Å²	13	35.3 Å²	35.3	8%	0.079	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	132.1	161.9	173.8	0	0	0	0	108.3	D197 V198 V199 V252 S314 S315 V317 K340	D197-V250 PolarHBondContact O-N 3.46Å; D197-V250 VanDerWaalsContact O-N 3.11Å; V198-V250 CarbonylContact C-O 3.51Å; V198-V250 WeakPolarHBondContact CA-O 3.31Å; V198-V250 HydrophobicContact CG2-CB 4.28Å; V199-V250 PolarHBondContact N-O 3.33Å; V250-V252 HydrophobicContact CG1-CG2 4.12Å; V250-S314 PolarHBondContact N-OG 2.93Å; V250-S315 WeakPolarHBondContact CA-O 3.01Å; V250-V317 HydrophobicContact CG1-CG2 4.38Å; V250-K340 HydrophobicContact CG1-CB 4.15Å; V250-K340 HydrophobicContact CG1-CD 3.95Å; V250-K340 HydrophobicContact CG1-CG 4.04Å; V250-K340 HydrophobicContact CG2-CD 4.35Å
251	V	93.3	Very high	81.4	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.1	173.6	178.4	0	0	0	0	109.9	F193 V199 L216 F313 S315 L316 V317	F193-V251 HydrophobicContact CE1-CG2 4.02Å; V199-V251 CarbonylContact O-C 3.5Å; V199-V251 WeakPolarHBondContact O-CA 3.33Å; L216-V251 HydrophobicContact CD2-CG1 3.92Å; V251-F313 HydrophobicContact CB-CD2 4.35Å; V251-F313 HydrophobicContact CG2-CB 4.1Å; V251-F313 HydrophobicContact CG2-CD1 4.04Å; V251-F313 HydrophobicContact CG2-CD2 3.62Å; V251-F313 HydrophobicContact CG2-CE1 4.42Å; V251-F313 HydrophobicContact CG2-CE2 4.02Å; V251-F313 HydrophobicContact CG2-CG 3.64Å; V251-F313 HydrophobicContact CG2-CZ 4.4Å; V251-S315 PolarHBondContact N-O 2.96Å; V251-L316 HydrophobicContact CB-CD1 3.74Å; V251-L316 HydrophobicContact CG1-CD1 3.67Å; V251-V317 PolarHBondContact O-N 3.38Å
252	V	94.7	Very high	82.7	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	108.8	176.9	-177.4	0	0	0	0	108.8	V198 V199 I200 Y201 V250 F254 V317 V319 L333 V337	V198-V252 HydrophobicContact CG1-CG2 3.78Å; V199-V252 PolarHBondContact O-N 3.5Å; I200-V252 CarbonylContact C-O 3.57Å; I200-V252 VanDerWaalsContact CA-O 3.28Å; I200-V252 WeakPolarHBondContact CA-O 3.14Å; Y201-V252 PolarHBondContact N-O 2.86Å; V250-V252 HydrophobicContact CG1-CG2 4.12Å; V252-F254 PolarHBondContact O-N 3.19Å; V252-V317 CarbonylContact C-O 2.93Å; V252-V317 WeakPolarHBondContact CA-O 3.4Å; V252-V317 HydrophobicContact CG2-CB 4.36Å; V252-V319 HydrophobicContact CG1-CG2 3.83Å; V252-L333 HydrophobicContact CG1-CD1 3.94Å; V252-V337 HydrophobicContact CG2-CG2 4.35Å
253	I	94.7	Very high	83.6	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	111.6	173.8	-55.5	178.1	0	0	0	107.9	Y201 L208 M212 L216 L299 L316 V317 Y318 V319	Y201-I253 CarbonylContact O-C 3.59Å; Y201-I253 WeakPolarHBondContact O-CA 3.41Å; L208-I253 HydrophobicContact CD2-CG2 4.11Å; M212-I253 HydrophobicContact CE-CD1 3.81Å; M212-I253 HydrophobicContact SD-CD1 3.92Å; M212-I253 HydrophobicContact SD-CG1 4.45Å; M212-I253 HydrophobicContact SD-CG2 3.7Å; L216-I253 HydrophobicContact CD1-CD1 3.7Å; L216-I253 HydrophobicContact CD1-CG1 4.08Å; I253-L299 HydrophobicContact CD1-CD1 3.71Å; I253-L299 HydrophobicContact CD1-CD2 3.77Å; I253-L299 HydrophobicContact CD1-CG 4.4Å; I253-L316 HydrophobicContact CD1-CD1 4.17Å; I253-L316 HydrophobicContact CG1-CD1 4.28Å; I253-V317 PolarHBondContact N-O 2.96Å; I253-Y318 HydrophobicContact CB-CD2 4.37Å; I253-Y318 HydrophobicContact CG2-CD2 4.24Å; I253-Y318 CarbonylContact O-C 3.52Å; I253-V319 PolarHBondContact O-N 3.1Å
254	F	95.5	Very high	83.8	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	108	170.3	-172.2	-101.6	0	0	0	110	I200 Y201 R202 T203 V252 E256 V319 T328 F330 L333	I200-F254 HydrophobicContact CG2-CB 4.15Å; Y201-F254 PolarHBondContact O-N 3.43Å; R202-F254 VanDerWaalsContact NH1-CE1 3.25Å; T203-F254 PolarHBondContact N-O 2.67Å; V252-F254 PolarHBondContact O-N 3.19Å; F254-E256 HydrophobicContact CE1-CB 4.11Å; F254-V319 WeakPolarHBondContact CA-O 3.29Å; F254-V319 HydrophobicContact CD2-CB 4.06Å; F254-V319 HydrophobicContact CD2-CG1 3.82Å; F254-V319 HydrophobicContact CE2-CG1 3.99Å; F254-T328 HydrophobicContact CZ-CG2 4.5Å; F254-F330 HydrophobicContact CE1-CD1 4.31Å; F254-F330 HydrophobicContact CE1-CE1 4.09Å; F254-F330 HydrophobicContact CZ-CD1 4.21Å; F254-F330 HydrophobicContact CZ-CE1 4.38Å; F254-L333 HydrophobicContact CB-CD1 4.05Å; F254-L333 HydrophobicContact CB-CD2 4.21Å; F254-L333 HydrophobicContact CD1-CD2 4.31Å; F254-L333 HydrophobicContact CD2-CB 3.7Å; F254-L333 HydrophobicContact CD2-CD1 3.94Å; F254-L333 HydrophobicContact CD2-CD2 3.88Å; F254-L333 HydrophobicContact CD2-CG 4.04Å; F254-L333 HydrophobicContact CE2-CB 3.79Å; F254-L333 HydrophobicContact CE2-CD2 4.35Å; F254-L333 HydrophobicContact CG-CD1 4.23Å; F254-L333 HydrophobicContact CG-CD2 3.84Å; F254-L333 HydrophobicContact CG-CG 4.41Å
255	Q	94.9	Very high	83.6	Confident	6 Å²	6	35 Å²	35	3%	0.028	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	123.3	175.5	-174.5	-170.7	1.1	0	0	109.7	T203 S205 L208 T257 Y318 V319 T321	T203-Q255 HydrophobicContact CG2-CB 4.11Å; T203-Q255 HydrophobicContact CG2-CG 4.05Å; S205-Q255 WeakPolarHBondContact O-CG 3.48Å; S205-Q255 PolarHBondContact O-NE2 3.41Å; L208-Q255 HydrophobicContact CD2-CB 4.01Å; L208-Q255 HydrophobicContact CD2-CG 3.97Å; Q255-T257 HydrophobicContact CG-CG2 4.01Å; Q255-Y318 HydrophobicContact CB-CE2 3.71Å; Q255-Y318 VanDerWaalsContact OE1-CE2 3.27Å; Q255-Y318 PolarHBondContact OE1-OH 3.27Å; Q255-V319 PolarHBondContact N-O 3.46Å; Q255-V319 VanDerWaalsContact N-O 3.12Å; Q255-T321 PolarHBondContact O-N 3.47Å
256	E	94	Very high	82.5	Confident	7 Å²	7	39.1 Å²	39.1	3%	0.033	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	123.4	169.8	179.4	167.5	-173.1	0	0	109.8	R202 T203 M204 S205 F254 T321 T323 T328	R202-E256 IonicContact CZ-OE2 3.19Å; R202-E256 IonicContact NH1-OE2 2.82Å; R202-E256 PolarHBondContact NH1-OE2 3.3Å; R202-E256 IonicContact NH2-OE2 3.63Å; R202-E256 PolarHBondContact NH2-OE2 3.28Å; T203-E256 PolarHBondContact O-N 3.39Å; T203-E256 VanDerWaalsContact O-N 3.08Å; M204-E256 HydrophobicContact CE-CG 4.3Å; M204-E256 HydrophobicContact SD-CB 3.63Å; M204-E256 VanDerWaalsContact SD-CD 3.52Å; M204-E256 HydrophobicContact SD-CG 3.64Å; M204-E256 VanDerWaalsContact SD-OE2 3.39Å; S205-E256 PolarHBondContact N-O 2.76Å; F254-E256 HydrophobicContact CE1-CB 4.11Å; E256-T321 WeakPolarHBondContact CA-O 3.46Å; E256-T323 VanDerWaalsContact OE1-CB 3.29Å; E256-T323 WeakPolarHBondContact OE1-CB 3.44Å; E256-T323 PolarHBondContact OE1-OG1 2.84Å; E256-T328 HydrophobicContact CG-CG2 4.3Å; E256-T328 WeakPolarHBondContact OE1-CB 3.36Å; E256-T328 WeakPolarHBondContact OE1-CG2 3.48Å; E256-T328 PolarHBondContact OE1-OG1 3.5Å; E256-T328 WeakPolarHBondContact OE2-CG2 3.5Å
257	T	93.4	Very high	81.3	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	159.4	-179.5	67.6	0	0	0	0	111.4	Q255 T260 P262 T321 Q322 T323	Q255-T257 HydrophobicContact CG-CG2 4.01Å; T257-T260 VanDerWaalsContact CB-O 3.27Å; T257-T260 WeakPolarHBondContact CB-O 3.43Å; T257-T260 PolarHBondContact OG1-O 3.36Å; T257-P262 HydrophobicContact CG2-CG 4.36Å; T257-T321 PolarHBondContact N-O 3.25Å; T257-Q322 WeakPolarHBondContact O-CA 3.23Å; T257-T323 PolarHBondContact O-N 2.85Å
258	Q	90.3	Very high	79.2	Confident	96 Å²	96	45 Å²	45	45%	0.449	24%	0.242	S	C	.	.	S	Bend	trans	-121.9	-46.7	178.2	-67.6	-173.8	-1.9	0	0	111.9	D206	D206-Q258 PolarHBondContact OD1-N 3.46Å
259	H	89	Confident	77	Confident	154 Å²	154	51.8 Å²	51.8	71%	0.713	28%	0.284	S	S	*	.	S	Bend	trans	-108.6	-22.2	-176.2	-53.3	-53	0	0	0	112.9	D206	D206-H259 PolarHBondContact OD1-N 3.12Å; D206-H259 WeakPolarHBondContact OD2-CB 3.39Å; D206-H259 IonicContact OD2-CD2 3.81Å; D206-H259 PolarHBondContact OD2-CD2 3.07Å; D206-H259 IonicContact OD2-CG 3.82Å
260	T	87.9	Confident	74	Confident	55 Å²	55	56.4 Å²	56.4	34%	0.337	32%	0.315	S	S	.	.	S	Bend	trans	-103.1	163.3	174.5	62.3	0	0	0	0	112.6	D206 T257 Q322	D206-T260 VanDerWaalsContact C-OG1 3.24Å; D206-T260 WeakPolarHBondContact CA-OG1 3.2Å; D206-T260 HydrophobicContact CB-CG2 3.7Å; D206-T260 VanDerWaalsContact CB-OG1 3.31Å; D206-T260 WeakPolarHBondContact CB-OG1 3.45Å; D206-T260 WeakPolarHBondContact O-CB 3.5Å; D206-T260 WeakPolarHBondContact O-CG2 3.33Å; D206-T260 PolarHBondContact O-OG1 2.68Å; D206-T260 PolarHBondContact OD1-N 3.28Å; D206-T260 VanDerWaalsContact OD1-N 3.09Å; D206-T260 PolarHBondContact OD1-OG1 3.47Å; T257-T260 VanDerWaalsContact CB-O 3.27Å; T257-T260 WeakPolarHBondContact CB-O 3.43Å; T257-T260 PolarHBondContact OG1-O 3.36Å; T260-Q322 PolarHBondContact O-NE2 3.45Å
261	L	86.9	Confident	71	Confident	80 Å²	80	60.4 Å²	60.4	42%	0.419	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-92.6	131	-178.3	-56	160.3	0	0	0	108.2	E265 H267	L261-E265 WeakPolarHBondContact CD2-OE2 3.43Å; L261-H267 VanDerWaalsContact CD2-NE2 3.3Å; L261-H267 WeakPolarHBondContact CD2-NE2 3.33Å
262	P	87.6	Confident	67.9	Low	7 Å²	7	66 Å²	66	5%	0.045	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-64.7	159.2	177.7	-16.6	27.8	0	0	0	112.2	T257 D264 E265 Y318 Q322	T257-P262 HydrophobicContact CG2-CG 4.36Å; P262-D264 PolarHBondContact O-N 2.89Å; P262-E265 PolarHBondContact O-N 3.09Å; P262-E265 VanDerWaalsContact O-N 3.16Å; P262-Y318 WeakPolarHBondContact CB-OH 3.42Å; P262-Q322 HydrophobicContact CG-CB 4.11Å
263	L	82.5	Confident	65.1	Low	66 Å²	66	72.9 Å²	72.9	35%	0.346	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-20.4	-174.4	-58.4	172.1	0	0	0	114.1	L208 F298 Y318	L208-L263 HydrophobicContact CD1-CD1 3.79Å; L263-F298 HydrophobicContact CD1-CD1 3.49Å; L263-F298 VanDerWaalsContact CD1-CD1 3.49Å; L263-F298 HydrophobicContact CD1-CE1 3.7Å; L263-F298 HydrophobicContact CD1-CG 4.31Å; L263-F298 HydrophobicContact CD2-CD1 4.33Å; L263-F298 HydrophobicContact CD2-CE1 4.13Å; L263-F298 HydrophobicContact CD2-CZ 4.32Å; L263-Y318 HydrophobicContact CB-CD1 4.1Å; L263-Y318 HydrophobicContact CB-CE1 3.57Å; L263-Y318 HydrophobicContact CD1-CD1 4.4Å; L263-Y318 HydrophobicContact CD1-CD2 4.15Å; L263-Y318 HydrophobicContact CD1-CE1 4.2Å; L263-Y318 HydrophobicContact CD1-CE2 3.92Å; L263-Y318 HydrophobicContact CD1-CG 4.37Å; L263-Y318 HydrophobicContact CG-CE1 4.07Å; L263-Y318 HydrophobicContact CG-CE2 4.31Å; L263-Y318 PolarHBondContact N-OH 3.05Å; L263-Y318 VanDerWaalsContact N-OH 3.12Å
264	D	64.7	Low	62	Low	38 Å²	38	79.4 Å²	79.4	20%	0.203	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-2.7	-177.7	-59.7	-44	0	0	0	114	P262 M291 S295 Y318 G320	P262-D264 PolarHBondContact O-N 2.89Å; D264-M291 HydrophobicContact CB-CG 3.93Å; D264-M291 WeakPolarHBondContact O-CE 3.44Å; D264-M291 VanDerWaalsContact O-SD 3.37Å; D264-S295 WeakPolarHBondContact OD1-CB 3.2Å; D264-S295 PolarHBondContact OD1-OG 3.22Å; D264-Y318 WeakPolarHBondContact OD1-CD1 3.35Å; D264-Y318 WeakPolarHBondContact OD2-CD1 2.89Å; D264-Y318 VanDerWaalsContact OD2-CE1 3.24Å; D264-Y318 WeakPolarHBondContact OD2-CE1 3.4Å; D264-G320 PolarHBondContact OD2-N 3.13Å
265	E	52.4	Low	59	Low	80 Å²	80	86.3 Å²	86.3	37%	0.374	49%	0.487	S	S	.	.			trans	-89.5	122.6	-178.9	-71.9	-156	162.2	0	0	113.4	L261 P262 H267	L261-E265 WeakPolarHBondContact CD2-OE2 3.43Å; P262-E265 PolarHBondContact O-N 3.09Å; P262-E265 VanDerWaalsContact O-N 3.16Å; E265-H267 WeakPolarHBondContact CB-NE2 2.98Å; E265-H267 WeakPolarHBondContact CG-NE2 3.14Å; E265-H267 PolarHBondContact O-N 2.71Å; E265-H267 IonicContact OE1-NE2 3.65Å; E265-H267 IonicContact OE2-CD2 1.79Å; E265-H267 IonicContact OE2-CE1 3.79Å; E265-H267 CovalentContact OE2-NE2 1.79Å; E265-H267 IonicContact OE2-NE2 3.9Å; E265-H267 PolarHBondContact OE2-NE2 3.19Å
266	P	33.8	Very low	56.2	Low	112 Å²	112	92.6 Å²	92.6	73%	0.727	53%	0.526	S	S	*	.			trans	-81.6	83.7	-178	33.3	-35	0	0	0	111.9	M291	P266-M291 HydrophobicContact CB-CE 4.29Å; P266-M291 HydrophobicContact CG-CE 4.25Å
267	H	38.7	Very low	53.3	Low	119 Å²	119	97.4 Å²	97.4	55%	0.551	56%	0.559	S	S	*	*			trans	-80.6	134.5	176.8	-77.3	-85.7	0	0	0	113	L261 E265 V269	L261-H267 VanDerWaalsContact CD2-NE2 3.3Å; L261-H267 WeakPolarHBondContact CD2-NE2 3.33Å; E265-H267 WeakPolarHBondContact CB-NE2 2.98Å; E265-H267 WeakPolarHBondContact CG-NE2 3.14Å; E265-H267 PolarHBondContact O-N 2.71Å; E265-H267 IonicContact OE1-NE2 3.65Å; E265-H267 IonicContact OE2-CD2 1.79Å; E265-H267 IonicContact OE2-CE1 3.79Å; E265-H267 CovalentContact OE2-NE2 1.79Å; E265-H267 IonicContact OE2-NE2 3.9Å; E265-H267 PolarHBondContact OE2-NE2 3.19Å; H267-V269 PolarHBondContact O-N 2.85Å
268	S	28.4	Very low	50.2	Low	112 Å²	112	103.5 Å²	103.5	78%	0.783	60%	0.597	S	S	*	*			trans	-73.9	92.6	-173.1	54.2	0	0	0	0	112.2	S270	S268-S270 VanDerWaalsContact C-N 3.34Å; S268-S270 PolarHBondContact O-N 3.44Å; S268-S270 VanDerWaalsContact O-N 3.07Å
269	V	32.2	Very low	47.5	Very low	143 Å²	143	106.8 Å²	106.8	87%	0.867	62%	0.617	S	S	*	*			trans	-78.9	86.6	166.6	-170.7	0	0	0	0	109.1	H267	H267-V269 PolarHBondContact O-N 2.85Å
270	S	27	Very low	44.9	Very low	96 Å²	96	110.1 Å²	110.1	67%	0.671	62%	0.624	S	S	*	*			trans	-72.8	147.6	167.1	50.2	0	0	0	0	111.6	S268	S268-S270 VanDerWaalsContact C-N 3.34Å; S268-S270 PolarHBondContact O-N 3.44Å; S268-S270 VanDerWaalsContact O-N 3.07Å
271	S	28.6	Very low	42.4	Very low	97 Å²	97	115.6 Å²	115.6	68%	0.678	65%	0.65	S	S	*	*			trans	84.6	139.3	165.5	-52.4	0	0	0	0	118.8
272	T	29.4	Very low	39.5	Very low	118 Å²	118	115.5 Å²	115.5	72%	0.724	67%	0.668	S	S	*	*			trans	51.4	104.5	156.1	51.2	0	0	0	0	117.5
273	N	34.5	Very low	36.9	Very low	144 Å²	144	118.4 Å²	118.4	77%	0.77	69%	0.689	S	S	*	*			cis	-167.1	142	41.5	-85.6	-33.9	0	0	0	114.2
274	N	30.4	Very low	34.5	Very low	137 Å²	137	120.3 Å²	120.3	73%	0.733	71%	0.714	S	S	*	*			trans	4.9	135.2	152.6	-62.8	-9.1	0	0	0	121.8
275	N	32.6	Very low	33	Very low	145 Å²	145	123 Å²	123	78%	0.775	73%	0.725	S	S	*	*			trans	71.2	96.8	143.3	-56.5	-11.6	0	0	0	119.9
276	T	36.1	Very low	32.4	Very low	138 Å²	138	123 Å²	123	85%	0.847	73%	0.732	S	S	*	*				-161	140.1	107.7	9.5	0	0	0	0	114
277	C	32	Very low	32.8	Very low	108 Å²	108	121.8 Å²	121.8	73%	0.73	73%	0.726	S	S	*	*			trans	22.8	97.3	156.6	-57.4	0	0	0	0	120.3
278	T	29.8	Very low	33.1	Very low	128 Å²	128	122.4 Å²	122.4	79%	0.785	73%	0.734	S	S	*	*				40.2	120.5	119.8	57.4	0	0	0	0	119.9
279	D	34	Very low	33.9	Very low	165 Å²	165	121.3 Å²	121.3	88%	0.882	72%	0.716	S	S	*	*				-149.8	161.9	100.4	-136.5	-25.6	0	0	0	113.3
280	R	32.9	Very low	34.5	Very low	225 Å²	225	121 Å²	121	85%	0.849	70%	0.699	S	S	*	*			trans	-131.7	117.5	-178.1	-73.6	178.9	173.2	179.5	-1.8	111.9
281	L	35.2	Very low	35.5	Very low	170 Å²	170	119 Å²	119	89%	0.89	68%	0.68	S	S	*	*				-169.4	159.8	129.5	-125.1	63.2	0	0	0	110
282	G	27.3	Very low	36.9	Very low	77 Å²	77	116.3 Å²	116.3	79%	0.794	66%	0.661	S	S	*	*			trans	-118.5	138.5	-169.1	0	0	0	0	0	115
283	S	32.1	Very low	38.5	Very low	69 Å²	69	114 Å²	114	48%	0.483	65%	0.647	S	S	.	*			trans	-113.9	144.4	147.5	63.5	0	0	0	0	109.3	E285 R290	S283-E285 VanDerWaalsContact CB-OE1 3.25Å; S283-E285 WeakPolarHBondContact CB-OE1 3.42Å; S283-E285 PolarHBondContact O-N 2.8Å; S283-E285 PolarHBondContact OG-OE1 3.21Å; S283-R290 PolarHBondContact O-NH2 2.9Å
284	A	33.3	Very low	40.1	Very low	106 Å²	106	111.8 Å²	111.8	88%	0.876	64%	0.635	S	S	*	*			trans	-84	57.4	-177.2	0	0	0	0	0	111.8
285	E	32.9	Very low	42.4	Very low	94 Å²	94	105.4 Å²	105.4	44%	0.439	60%	0.601	S	S	.	*			trans	-57.5	131.9	176.1	-56.2	-50.5	135.6	0	0	111.1	S283 R290	S283-E285 VanDerWaalsContact CB-OE1 3.25Å; S283-E285 WeakPolarHBondContact CB-OE1 3.42Å; S283-E285 PolarHBondContact O-N 2.8Å; S283-E285 PolarHBondContact OG-OE1 3.21Å; E285-R290 HydrophobicContact CB-CG 4.25Å
286	P	38.4	Very low	44.4	Very low	79 Å²	79	100.3 Å²	100.3	51%	0.513	58%	0.577	S	S	.	*			trans	-62.1	137.7	-178.6	24.9	-33.1	0	0	0	111.5	N288 E289	P286-N288 PolarHBondContact O-N 3.02Å; P286-E289 HydrophobicContact CG-CG 4.35Å; P286-E289 PolarHBondContact O-N 3.35Å
287	S	43.2	Very low	46.4	Very low	88 Å²	88	101 Å²	101	62%	0.615	56%	0.564	S	S	*	*	H	α-helix	trans	-47.4	-41.5	-168.9	51	0	0	0	0	114.8	E289 R290 M291	S287-E289 VanDerWaalsContact C-N 3.3Å; S287-E289 PolarHBondContact O-N 3.08Å; S287-R290 PolarHBondContact O-N 2.89Å; S287-M291 PolarHBondContact O-N 2.86Å
288	N	45	Very low	48.9	Very low	132 Å²	132	99.9 Å²	99.9	71%	0.706	55%	0.547	S	S	*	.	H	α-helix	trans	-67.2	-28.4	-173.7	-63.8	6.1	0	0	0	112.9	P286 S292	P286-N288 PolarHBondContact O-N 3.02Å; N288-S292 PolarHBondContact O-N 3Å
289	E	45.4	Very low	51.7	Low	88 Å²	88	93.8 Å²	93.8	41%	0.411	51%	0.509	S	S	.	.	H	α-helix	trans	-77.4	-41.8	178.8	-59.3	-143.3	130.6	0	0	110.9	P286 S287 M291 S292 T293 K339	P286-E289 HydrophobicContact CG-CG 4.35Å; P286-E289 PolarHBondContact O-N 3.35Å; S287-E289 VanDerWaalsContact C-N 3.3Å; S287-E289 PolarHBondContact O-N 3.08Å; E289-M291 VanDerWaalsContact C-N 3.32Å; E289-M291 PolarHBondContact O-N 3Å; E289-S292 PolarHBondContact O-N 2.76Å; E289-S292 PolarHBondContact O-OG 2.97Å; E289-T293 PolarHBondContact O-N 3.3Å; E289-K339 IonicContact OE1-NZ 2.84Å; E289-K339 PolarHBondContact OE1-NZ 3.42Å
290	R	43.4	Very low	54	Low	136 Å²	136	89.4 Å²	89.4	51%	0.513	49%	0.489	S	S	.	.	H	α-helix	trans	-54.8	-47	173.7	-66.9	-171.1	-179.5	-148.4	-2	111.5	S283 E285 S287 S292 T293 L294	S283-R290 PolarHBondContact O-NH2 2.9Å; E285-R290 HydrophobicContact CB-CG 4.25Å; S287-R290 PolarHBondContact O-N 2.89Å; R290-S292 PolarHBondContact O-N 3.19Å; R290-T293 PolarHBondContact O-N 2.87Å; R290-T293 VanDerWaalsContact O-N 3.15Å; R290-T293 PolarHBondContact O-OG1 3.17Å; R290-L294 PolarHBondContact O-N 2.79Å
291	M	49.8	Very low	56.5	Low	54 Å²	54	84.7 Å²	84.7	27%	0.266	48%	0.476	S	S	.	.	H	α-helix	trans	-58.6	-48.1	178.9	-158.4	65.6	78	0	0	111.9	D264 P266 S287 E289 T293 L294 S295	D264-M291 HydrophobicContact CB-CG 3.93Å; D264-M291 WeakPolarHBondContact O-CE 3.44Å; D264-M291 VanDerWaalsContact O-SD 3.37Å; P266-M291 HydrophobicContact CB-CE 4.29Å; P266-M291 HydrophobicContact CG-CE 4.25Å; S287-M291 PolarHBondContact O-N 2.86Å; E289-M291 VanDerWaalsContact C-N 3.32Å; E289-M291 PolarHBondContact O-N 3Å; M291-T293 PolarHBondContact O-N 3.12Å; M291-T293 VanDerWaalsContact O-N 3.13Å; M291-L294 PolarHBondContact O-N 2.97Å; M291-S295 PolarHBondContact O-N 3.45Å
292	S	58	Low	59	Low	41 Å²	41	81.8 Å²	81.8	29%	0.287	45%	0.453	S	S	.	.	H	α-helix	trans	-58.9	-29.3	178.7	73.4	0	0	0	0	113.8	N288 E289 R290 S296	N288-S292 PolarHBondContact O-N 3Å; E289-S292 PolarHBondContact O-N 2.76Å; E289-S292 PolarHBondContact O-OG 2.97Å; R290-S292 PolarHBondContact O-N 3.19Å; S292-S296 WeakPolarHBondContact O-CB 3.28Å; S292-S296 PolarHBondContact O-N 2.83Å
293	T	62.5	Low	61.8	Low	69 Å²	69	78.4 Å²	78.4	42%	0.423	42%	0.417	S	S	.	.	H	α-helix	trans	-76.2	-27.2	175.8	65.6	0	0	0	0	113.9	E289 R290 M291 R297	E289-T293 PolarHBondContact O-N 3.3Å; R290-T293 PolarHBondContact O-N 2.87Å; R290-T293 VanDerWaalsContact O-N 3.15Å; R290-T293 PolarHBondContact O-OG1 3.17Å; M291-T293 PolarHBondContact O-N 3.12Å; M291-T293 VanDerWaalsContact O-N 3.13Å; T293-R297 WeakPolarHBondContact O-CD 3.17Å; T293-R297 WeakPolarHBondContact O-CG 3.39Å; T293-R297 PolarHBondContact O-N 3.06Å
294	L	68.7	Low	64.5	Low	99 Å²	99	79.9 Å²	79.9	52%	0.518	42%	0.423	S	S	.	.	H	α-helix	trans	-73.9	-51	177.4	-66.2	176.4	0	0	0	110.7	R290 M291 S296 R297 F298	R290-L294 PolarHBondContact O-N 2.79Å; M291-L294 PolarHBondContact O-N 2.97Å; L294-S296 VanDerWaalsContact C-N 3.32Å; L294-S296 PolarHBondContact O-N 3.11Å; L294-R297 WeakPolarHBondContact O-CB 3.33Å; L294-R297 PolarHBondContact O-N 2.86Å; L294-R297 VanDerWaalsContact O-N 3.12Å; L294-F298 PolarHBondContact O-N 3.21Å
295	S	77.4	Confident	67	Low	3 Å²	3	78.4 Å²	78.4	2%	0.021	41%	0.411	C	S	.	.	H	α-helix	trans	-65.7	-35.2	180	-52.8	0	0	0	0	111.9	D264 M291 F298 L299	D264-S295 WeakPolarHBondContact OD1-CB 3.2Å; D264-S295 PolarHBondContact OD1-OG 3.22Å; M291-S295 PolarHBondContact O-N 3.45Å; S295-F298 PolarHBondContact O-N 3.3Å; S295-L299 WeakPolarHBondContact O-CG 3.43Å; S295-L299 PolarHBondContact O-N 2.63Å; S295-L299 VanDerWaalsContact O-N 3.08Å
296	S	75.1	Confident	69.4	Low	38 Å²	38	76.8 Å²	76.8	27%	0.266	40%	0.404	S	S	.	.	H	α-helix	trans	-66.3	-35	172.8	-167.3	0	0	0	0	112.9	S292 L294 T300 L316	S292-S296 WeakPolarHBondContact O-CB 3.28Å; S292-S296 PolarHBondContact O-N 2.83Å; L294-S296 VanDerWaalsContact C-N 3.32Å; L294-S296 PolarHBondContact O-N 3.11Å; S296-T300 WeakPolarHBondContact O-CB 3.43Å; S296-T300 PolarHBondContact O-N 2.88Å; S296-T300 VanDerWaalsContact O-N 3.14Å; S296-T300 PolarHBondContact O-OG1 3.17Å; S296-L316 PolarHBondContact OG-O 2.91Å; S296-L316 VanDerWaalsContact OG-O 3.09Å
297	R	77.5	Confident	71.4	Confident	152 Å²	152	84.5 Å²	84.5	57%	0.574	42%	0.423	S	S	*	.	H	α-helix	trans	-63.8	-49.2	170.3	-76.8	169	-174.4	-177.1	2	111.6	T293 L294 L299 T300 E301	T293-R297 WeakPolarHBondContact O-CD 3.17Å; T293-R297 WeakPolarHBondContact O-CG 3.39Å; T293-R297 PolarHBondContact O-N 3.06Å; L294-R297 WeakPolarHBondContact O-CB 3.33Å; L294-R297 PolarHBondContact O-N 2.86Å; L294-R297 VanDerWaalsContact O-N 3.12Å; R297-L299 VanDerWaalsContact C-N 3.32Å; R297-L299 PolarHBondContact O-N 3.06Å; R297-T300 CarbonylContact O-C 3.51Å; R297-T300 WeakPolarHBondContact O-CA 3.49Å; R297-T300 WeakPolarHBondContact O-CB 3.5Å; R297-T300 PolarHBondContact O-N 3.28Å; R297-E301 WeakPolarHBondContact O-CB 3.26Å; R297-E301 WeakPolarHBondContact O-CG 3.44Å; R297-E301 PolarHBondContact O-N 3.45Å
298	F	85.9	Confident	73.4	Confident	85 Å²	85	84.5 Å²	84.5	37%	0.373	41%	0.409	S	S	.	.	H	α-helix	trans	-55.1	-45.3	178	175.9	-93.2	0	0	0	112.5	L208 F213 L263 L294 S295 T300 R302	L208-F298 HydrophobicContact CD1-CE1 4.47Å; F213-F298 HydrophobicContact CZ-CE1 4.5Å; L263-F298 HydrophobicContact CD1-CD1 3.49Å; L263-F298 VanDerWaalsContact CD1-CD1 3.49Å; L263-F298 HydrophobicContact CD1-CE1 3.7Å; L263-F298 HydrophobicContact CD1-CG 4.31Å; L263-F298 HydrophobicContact CD2-CD1 4.33Å; L263-F298 HydrophobicContact CD2-CE1 4.13Å; L263-F298 HydrophobicContact CD2-CZ 4.32Å; L294-F298 PolarHBondContact O-N 3.21Å; S295-F298 PolarHBondContact O-N 3.3Å; F298-T300 VanDerWaalsContact C-N 3.33Å; F298-T300 PolarHBondContact O-N 3Å; F298-R302 WeakPolarHBondContact O-CB 3.46Å; F298-R302 PolarHBondContact O-N 3.43Å
299	L	87.1	Confident	75.2	Confident	0 Å²	0	80.6 Å²	80.6	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-61.2	-42.1	175.8	-65.6	179.4	0	0	0	112.1	L208 F213 I253 S295 R297 R302 L303 L316	L208-L299 HydrophobicContact CD1-CD2 3.77Å; F213-L299 HydrophobicContact CE1-CB 4.45Å; F213-L299 HydrophobicContact CE1-CD2 3.56Å; F213-L299 HydrophobicContact CZ-CD2 3.82Å; I253-L299 HydrophobicContact CD1-CD1 3.71Å; I253-L299 HydrophobicContact CD1-CD2 3.77Å; I253-L299 HydrophobicContact CD1-CG 4.4Å; S295-L299 WeakPolarHBondContact O-CG 3.43Å; S295-L299 PolarHBondContact O-N 2.63Å; S295-L299 VanDerWaalsContact O-N 3.08Å; R297-L299 VanDerWaalsContact C-N 3.32Å; R297-L299 PolarHBondContact O-N 3.06Å; L299-R302 PolarHBondContact O-N 3.09Å; L299-L303 WeakPolarHBondContact O-CG 3.35Å; L299-L303 PolarHBondContact O-N 2.71Å; L299-L303 VanDerWaalsContact O-N 3.1Å; L299-L316 HydrophobicContact CB-CD2 4.04Å; L299-L316 HydrophobicContact CD1-CD1 4.49Å; L299-L316 HydrophobicContact CD1-CD2 4.08Å; L299-L316 HydrophobicContact CD1-CG 3.85Å
300	T	83.3	Confident	77	Confident	73 Å²	73	77 Å²	77	45%	0.448	37%	0.374	S	S	.	.	H	α-helix	trans	-66.9	-47.8	179.7	-55.1	0	0	0	0	111.5	S296 R297 F298 R302 L303 V304	S296-T300 WeakPolarHBondContact O-CB 3.43Å; S296-T300 PolarHBondContact O-N 2.88Å; S296-T300 VanDerWaalsContact O-N 3.14Å; S296-T300 PolarHBondContact O-OG1 3.17Å; R297-T300 CarbonylContact O-C 3.51Å; R297-T300 WeakPolarHBondContact O-CA 3.49Å; R297-T300 WeakPolarHBondContact O-CB 3.5Å; R297-T300 PolarHBondContact O-N 3.28Å; F298-T300 VanDerWaalsContact C-N 3.33Å; F298-T300 PolarHBondContact O-N 3Å; T300-R302 VanDerWaalsContact C-N 3.28Å; T300-R302 PolarHBondContact O-N 3.27Å; T300-L303 PolarHBondContact O-N 2.71Å; T300-V304 WeakPolarHBondContact O-CG2 3.2Å; T300-V304 PolarHBondContact O-N 3.03Å
301	E	84.7	Confident	78.8	Confident	125 Å²	125	75.4 Å²	75.4	58%	0.584	38%	0.375	S	S	*	.	H	α-helix	trans	-58.5	-40.5	175.6	-72.6	166.2	-160	0	0	111.3	R297 V304 A305	R297-E301 WeakPolarHBondContact O-CB 3.26Å; R297-E301 WeakPolarHBondContact O-CG 3.44Å; R297-E301 PolarHBondContact O-N 3.45Å; E301-V304 PolarHBondContact O-N 2.83Å; E301-A305 VanDerWaalsContact O-CB 3.32Å; E301-A305 WeakPolarHBondContact O-CB 3.2Å; E301-A305 PolarHBondContact O-N 2.84Å
302	R	87.8	Confident	80.4	Confident	109 Å²	109	72.9 Å²	72.9	41%	0.411	36%	0.363	S	S	.	.	H	α-helix	trans	-66.8	-42.4	178.4	-166.7	61.4	173.8	179.4	1.5	112.5	F213 F298 L299 T300 A305 M306	F213-R302 HydrophobicContact CD1-CB 4.35Å; F213-R302 HydrophobicContact CD1-CG 4.19Å; F213-R302 HydrophobicContact CD2-CG 4.07Å; F213-R302 HydrophobicContact CE1-CB 3.85Å; F213-R302 HydrophobicContact CE1-CG 3.88Å; F213-R302 HydrophobicContact CE2-CG 3.77Å; F213-R302 HydrophobicContact CG-CG 4.28Å; F213-R302 HydrophobicContact CZ-CB 3.99Å; F213-R302 HydrophobicContact CZ-CG 3.67Å; F298-R302 WeakPolarHBondContact O-CB 3.46Å; F298-R302 PolarHBondContact O-N 3.43Å; L299-R302 PolarHBondContact O-N 3.09Å; T300-R302 VanDerWaalsContact C-N 3.28Å; T300-R302 PolarHBondContact O-N 3.27Å; R302-A305 PolarHBondContact O-N 3.01Å; R302-M306 HydrophobicContact CG-CE 4.24Å; R302-M306 WeakPolarHBondContact O-CE 3.38Å; R302-M306 PolarHBondContact O-N 2.65Å
303	L	87.2	Confident	81.8	Confident	7 Å²	7	71.5 Å²	71.5	4%	0.037	35%	0.352	C	S	.	.	H	α-helix	trans	-61.2	-48.6	173.6	-74.4	164.1	0	0	0	111.5	F213 A217 L299 T300 A305 M306 R307 R308 A310 L316	F213-L303 HydrophobicContact CB-CD2 4.21Å; F213-L303 HydrophobicContact CD1-CD2 4.22Å; F213-L303 HydrophobicContact CD1-CG 4.14Å; A217-L303 HydrophobicContact CB-CD2 4.28Å; L299-L303 WeakPolarHBondContact O-CG 3.35Å; L299-L303 PolarHBondContact O-N 2.71Å; L299-L303 VanDerWaalsContact O-N 3.1Å; T300-L303 PolarHBondContact O-N 2.71Å; L303-A305 VanDerWaalsContact C-N 3.33Å; L303-A305 PolarHBondContact O-N 3.28Å; L303-M306 CarbonylContact O-C 3.56Å; L303-M306 PolarHBondContact O-N 3.1Å; L303-M306 VanDerWaalsContact O-N 3.07Å; L303-R307 PolarHBondContact O-N 3.34Å; L303-R308 CarbonylContact C-O 3.56Å; L303-R308 VanDerWaalsContact C-O 3.27Å; L303-R308 PolarHBondContact O-N 2.72Å; L303-R308 VanDerWaalsContact O-O 3.08Å; L303-A310 HydrophobicContact CD1-CB 3.64Å; L303-L316 HydrophobicContact CD1-CD2 3.93Å
304	V	87.1	Confident	82.9	Confident	99 Å²	99	70.1 Å²	70.1	60%	0.6	35%	0.345	S	S	*	.	H	α-helix	trans	-60.3	-40.8	178.2	169.9	0	0	0	0	111.5	T300 E301 M306 R307	T300-V304 WeakPolarHBondContact O-CG2 3.2Å; T300-V304 PolarHBondContact O-N 3.03Å; E301-V304 PolarHBondContact O-N 2.83Å; V304-M306 PolarHBondContact O-N 3Å; V304-R307 WeakPolarHBondContact O-CA 3.2Å; V304-R307 PolarHBondContact O-N 3.21Å
305	A	86.1	Confident	83.8	Confident	76 Å²	76	66.9 Å²	66.9	63%	0.628	33%	0.331	S	S	*	.	H	α-helix	trans	-61.7	-29.6	176.1	0	0	0	0	0	113.2	E301 R302 L303 R307	E301-A305 VanDerWaalsContact O-CB 3.32Å; E301-A305 WeakPolarHBondContact O-CB 3.2Å; E301-A305 PolarHBondContact O-N 2.84Å; R302-A305 PolarHBondContact O-N 3.01Å; L303-A305 VanDerWaalsContact C-N 3.33Å; L303-A305 PolarHBondContact O-N 3.28Å; A305-R307 VanDerWaalsContact C-N 3.3Å
306	M	83.3	Confident	84.3	Confident	60 Å²	60	67.7 Å²	67.7	30%	0.296	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	9.8	173.8	-61.5	179	-59.1	0	0	113	F213 R302 L303 V304 R308	F213-M306 HydrophobicContact CB-CE 3.22Å; F213-M306 HydrophobicContact CB-SD 4.48Å; F213-M306 HydrophobicContact CD1-CE 4.4Å; F213-M306 HydrophobicContact CD2-CE 4.33Å; F213-M306 HydrophobicContact CG-CE 3.79Å; R302-M306 HydrophobicContact CG-CE 4.24Å; R302-M306 WeakPolarHBondContact O-CE 3.38Å; R302-M306 PolarHBondContact O-N 2.65Å; L303-M306 CarbonylContact O-C 3.56Å; L303-M306 PolarHBondContact O-N 3.1Å; L303-M306 VanDerWaalsContact O-N 3.07Å; V304-M306 PolarHBondContact O-N 3Å; M306-R308 PolarHBondContact O-N 2.97Å
307	R	81.7	Confident	85.1	Confident	240 Å²	240	66.4 Å²	66.4	91%	0.906	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	29.5	-176.5	-54.8	-177.1	179.7	-173.5	-0.2	113.8	L303 V304 A305	L303-R307 PolarHBondContact O-N 3.34Å; V304-R307 WeakPolarHBondContact O-CA 3.2Å; V304-R307 PolarHBondContact O-N 3.21Å; A305-R307 VanDerWaalsContact C-N 3.3Å
308	R	84.7	Confident	85.8	Confident	88 Å²	88	59.4 Å²	59.4	33%	0.332	30%	0.299	S	S	.	.			trans	-114.4	169.9	174.5	-70.2	-58.9	-162.1	112.4	19.8	110.6	A217 D218 D221 L303 M306	A217-R308 HydrophobicContact CB-CB 3.67Å; A217-R308 HydrophobicContact CB-CG 3.94Å; D218-R308 IonicContact OD1-CZ 3.91Å; D218-R308 IonicContact OD1-NH1 2.74Å; D218-R308 PolarHBondContact OD1-NH1 2.73Å; D218-R308 IonicContact OD1-NH2 2.82Å; D218-R308 PolarHBondContact OD1-NH2 2.97Å; D218-R308 IonicContact OD2-NH2 3.26Å; D221-R308 IonicContact OD2-CZ 2.89Å; D221-R308 IonicContact OD2-NH1 2.87Å; D221-R308 PolarHBondContact OD2-NH1 3.47Å; L303-R308 CarbonylContact C-O 3.56Å; L303-R308 VanDerWaalsContact C-O 3.27Å; L303-R308 PolarHBondContact O-N 2.72Å; L303-R308 VanDerWaalsContact O-O 3.08Å; M306-R308 PolarHBondContact O-N 2.97Å
309	N	81.8	Confident	86.2	Confident	51 Å²	51	55.7 Å²	55.7	27%	0.273	28%	0.283	S	S	.	.			trans	-137.7	168.4	176.5	79	96.1	0	0	0	109.2	A217 D221 N311	A217-N309 WeakPolarHBondContact CA-O 3.47Å; D221-N309 PolarHBondContact OD1-ND2 3.4Å; N309-N311 WeakPolarHBondContact OD1-CB 3.38Å; N309-N311 PolarHBondContact OD1-N 3.27Å; N309-N311 PolarHBondContact OD1-ND2 2.88Å
310	A	83.4	Confident	86.4	Confident	11 Å²	11	56.3 Å²	56.3	9%	0.091	29%	0.289	C	S	.	.			trans	-129.5	34.7	173.7	0	0	0	0	0	110.8	S220 L303 A312 F313 L316	S220-A310 VanDerWaalsContact OG-CA 3.31Å; S220-A310 WeakPolarHBondContact OG-CA 3.23Å; S220-A310 PolarHBondContact OG-O 3.08Å; L303-A310 HydrophobicContact CD1-CB 3.64Å; A310-A312 PolarHBondContact O-N 2.87Å; A310-F313 HydrophobicContact CB-CD2 3.91Å; A310-F313 HydrophobicContact CB-CE2 4.06Å; A310-F313 PolarHBondContact O-N 3.46Å; A310-L316 HydrophobicContact CB-CD2 4.39Å
311	N	82.3	Confident	86.8	Confident	103 Å²	103	53.6 Å²	53.6	55%	0.551	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-13.5	-164.4	-63.5	-10.9	0	0	0	113.6	G245 N309 F313	G245-N311 CarbonylContact C-O 3.57Å; G245-N311 WeakPolarHBondContact CA-O 3.44Å; N309-N311 WeakPolarHBondContact OD1-CB 3.38Å; N309-N311 PolarHBondContact OD1-N 3.27Å; N309-N311 PolarHBondContact OD1-ND2 2.88Å; N311-F313 PolarHBondContact O-N 3.29Å
312	A	83.1	Confident	87.2	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.008	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-31.6	175.3	0	0	0	0	0	111.8	S220 F223 S224 G248 A310	S220-A312 WeakPolarHBondContact O-CB 3.31Å; S220-A312 VanDerWaalsContact OG-CB 3.23Å; S220-A312 WeakPolarHBondContact OG-CB 3.47Å; S220-A312 PolarHBondContact OG-N 3.02Å; S220-A312 VanDerWaalsContact OG-N 3.12Å; F223-A312 HydrophobicContact CB-CB 4.19Å; F223-A312 HydrophobicContact CD1-CB 3.77Å; F223-A312 HydrophobicContact CG-CB 4.23Å; S224-A312 WeakPolarHBondContact OG-CB 3.4Å; G248-A312 WeakPolarHBondContact CA-O 3.36Å; G248-A312 PolarHBondContact N-O 3Å; A310-A312 PolarHBondContact O-N 2.87Å
313	F	87	Confident	87.5	Confident	13 Å²	13	44.8 Å²	44.8	6%	0.057	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	132.8	-172	-48.2	-35.7	0	0	0	111	F193 L216 A219 S220 P249 V251 A310 N311 S315	F193-F313 HydrophobicContact CD1-CD1 4.27Å; F193-F313 AromaticContact CD1-CE1 3.55Å; F193-F313 HydrophobicContact CD1-CE1 3.55Å; F193-F313 HydrophobicContact CD1-CZ 4.1Å; F193-F313 HydrophobicContact CE1-CD1 4.32Å; F193-F313 AromaticContact CE1-CE1 3.54Å; F193-F313 HydrophobicContact CE1-CE1 3.54Å; F193-F313 HydrophobicContact CE1-CE2 4.47Å; F193-F313 AromaticContact CE1-CZ 3.63Å; F193-F313 HydrophobicContact CE1-CZ 3.63Å; L216-F313 HydrophobicContact CB-CE2 4.41Å; L216-F313 HydrophobicContact CD2-CE2 4.46Å; L216-F313 VanDerWaalsContact O-CE2 3.28Å; L216-F313 WeakPolarHBondContact O-CE2 3.37Å; L216-F313 WeakPolarHBondContact O-CZ 3.2Å; A219-F313 HydrophobicContact CB-CZ 4.21Å; S220-F313 WeakPolarHBondContact OG-CE1 3.49Å; S220-F313 WeakPolarHBondContact OG-CE2 3.12Å; S220-F313 VanDerWaalsContact OG-CZ 3.3Å; S220-F313 WeakPolarHBondContact OG-CZ 3.45Å; P249-F313 HydrophobicContact CG-CD1 4.49Å; P249-F313 WeakPolarHBondContact O-CA 3.33Å; P249-F313 WeakPolarHBondContact O-CB 3.5Å; V251-F313 HydrophobicContact CB-CD2 4.35Å; V251-F313 HydrophobicContact CG2-CB 4.1Å; V251-F313 HydrophobicContact CG2-CD1 4.04Å; V251-F313 HydrophobicContact CG2-CD2 3.62Å; V251-F313 HydrophobicContact CG2-CE1 4.42Å; V251-F313 HydrophobicContact CG2-CE2 4.02Å; V251-F313 HydrophobicContact CG2-CG 3.64Å; V251-F313 HydrophobicContact CG2-CZ 4.4Å; A310-F313 HydrophobicContact CB-CD2 3.91Å; A310-F313 HydrophobicContact CB-CE2 4.06Å; A310-F313 PolarHBondContact O-N 3.46Å; N311-F313 PolarHBondContact O-N 3.29Å; F313-S315 PolarHBondContact O-N 3.35Å
314	S	85.5	Confident	87.6	Confident	39 Å²	39	51.5 Å²	51.5	27%	0.273	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	-23.3	-177.7	46	0	0	0	0	113.5	Q246 G248 P249 V250	Q246-S314 WeakPolarHBondContact O-CB 3.47Å; G248-S314 VanDerWaalsContact O-CB 3.31Å; G248-S314 WeakPolarHBondContact O-CB 3.16Å; G248-S314 PolarHBondContact O-N 2.79Å; G248-S314 PolarHBondContact O-OG 3.34Å; P249-S314 VanDerWaalsContact C-OG 3.31Å; P249-S314 PolarHBondContact O-N 2.95Å; P249-S314 VanDerWaalsContact O-N 3.13Å; P249-S314 PolarHBondContact O-OG 3.29Å; V250-S314 PolarHBondContact N-OG 2.93Å
315	S	87.6	Confident	87.7	Confident	31 Å²	31	52.4 Å²	52.4	22%	0.217	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	137.4	170.3	-175.2	0	0	0	0	110.4	V250 V251 F313 K340	V250-S315 WeakPolarHBondContact CA-O 3.01Å; V251-S315 PolarHBondContact N-O 2.96Å; F313-S315 PolarHBondContact O-N 3.35Å; S315-K340 PolarHBondContact OG-NZ 3.32Å
316	L	89.1	Confident	87.7	Confident	20 Å²	20	53.8 Å²	53.8	11%	0.105	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	122.2	171.9	-176	64.2	0	0	0	109.8	L216 V251 I253 S296 L299 L303 A310	L216-L316 HydrophobicContact CD1-CD1 4.39Å; V251-L316 HydrophobicContact CB-CD1 3.74Å; V251-L316 HydrophobicContact CG1-CD1 3.67Å; I253-L316 HydrophobicContact CD1-CD1 4.17Å; I253-L316 HydrophobicContact CG1-CD1 4.28Å; S296-L316 PolarHBondContact OG-O 2.91Å; S296-L316 VanDerWaalsContact OG-O 3.09Å; L299-L316 HydrophobicContact CB-CD2 4.04Å; L299-L316 HydrophobicContact CD1-CD1 4.49Å; L299-L316 HydrophobicContact CD1-CD2 4.08Å; L299-L316 HydrophobicContact CD1-CG 3.85Å; L303-L316 HydrophobicContact CD1-CD2 3.93Å; A310-L316 HydrophobicContact CB-CD2 4.39Å
317	V	90.7	Very high	88	Confident	11 Å²	11	56.6 Å²	56.6	7%	0.067	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	144.8	-170.7	-173.3	0	0	0	0	109.7	V250 V251 V252 I253 M336	V250-V317 HydrophobicContact CG1-CG2 4.38Å; V251-V317 PolarHBondContact O-N 3.38Å; V252-V317 CarbonylContact C-O 2.93Å; V252-V317 WeakPolarHBondContact CA-O 3.4Å; V252-V317 HydrophobicContact CG2-CB 4.36Å; I253-V317 PolarHBondContact N-O 2.96Å; V317-M336 HydrophobicContact CG1-CE 4.03Å; V317-M336 HydrophobicContact CG1-CG 3.9Å; V317-M336 HydrophobicContact CG1-SD 3.88Å
318	Y	93.2	Very high	88.5	Confident	6 Å²	6	46.2 Å²	46.2	2%	0.024	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	147.6	169.9	178.5	-99.3	0	0	0	110.3	L208 I253 Q255 P262 L263 D264 G320	L208-Y318 HydrophobicContact CD1-CD2 4.08Å; L208-Y318 HydrophobicContact CD1-CE2 3.89Å; L208-Y318 HydrophobicContact CD2-CE2 4.23Å; L208-Y318 HydrophobicContact CG-CE2 4.39Å; I253-Y318 HydrophobicContact CB-CD2 4.37Å; I253-Y318 HydrophobicContact CG2-CD2 4.24Å; I253-Y318 CarbonylContact O-C 3.52Å; Q255-Y318 HydrophobicContact CB-CE2 3.71Å; Q255-Y318 VanDerWaalsContact OE1-CE2 3.27Å; Q255-Y318 PolarHBondContact OE1-OH 3.27Å; P262-Y318 WeakPolarHBondContact CB-OH 3.42Å; L263-Y318 HydrophobicContact CB-CD1 4.1Å; L263-Y318 HydrophobicContact CB-CE1 3.57Å; L263-Y318 HydrophobicContact CD1-CD1 4.4Å; L263-Y318 HydrophobicContact CD1-CD2 4.15Å; L263-Y318 HydrophobicContact CD1-CE1 4.2Å; L263-Y318 HydrophobicContact CD1-CE2 3.92Å; L263-Y318 HydrophobicContact CD1-CG 4.37Å; L263-Y318 HydrophobicContact CG-CE1 4.07Å; L263-Y318 HydrophobicContact CG-CE2 4.31Å; L263-Y318 PolarHBondContact N-OH 3.05Å; L263-Y318 VanDerWaalsContact N-OH 3.12Å; D264-Y318 WeakPolarHBondContact OD1-CD1 3.35Å; D264-Y318 WeakPolarHBondContact OD2-CD1 2.89Å; D264-Y318 VanDerWaalsContact OD2-CE1 3.24Å; D264-Y318 WeakPolarHBondContact OD2-CE1 3.4Å; Y318-G320 VanDerWaalsContact CE1-N 3.28Å
319	V	93	Very high	88.9	Confident	6 Å²	6	46.6 Å²	46.6	4%	0.036	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	110.1	167.5	179.2	0	0	0	0	107.8	V252 I253 F254 Q255 P332 M336	V252-V319 HydrophobicContact CG1-CG2 3.83Å; I253-V319 PolarHBondContact O-N 3.1Å; F254-V319 WeakPolarHBondContact CA-O 3.29Å; F254-V319 HydrophobicContact CD2-CB 4.06Å; F254-V319 HydrophobicContact CD2-CG1 3.82Å; F254-V319 HydrophobicContact CE2-CG1 3.99Å; Q255-V319 PolarHBondContact N-O 3.46Å; Q255-V319 VanDerWaalsContact N-O 3.12Å; V319-P332 HydrophobicContact CG1-CB 3.86Å; V319-M336 HydrophobicContact CG2-CB 3.76Å; V319-M336 HydrophobicContact CG2-CE 4.35Å; V319-M336 HydrophobicContact CG2-CG 3.73Å
320	G	91.7	Very high	89.5	Confident	13 Å²	13	44.9 Å²	44.9	13%	0.134	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	151.5	174.5	0	0	0	0	0	113.8	D264 Y318	D264-G320 PolarHBondContact OD2-N 3.13Å; Y318-G320 VanDerWaalsContact CE1-N 3.28Å
321	T	92.2	Very high	89.9	Confident	16 Å²	16	50.2 Å²	50.2	10%	0.098	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	133.9	166.9	-69.2	0	0	0	0	110.7	Q255 E256 T257 T328 N329	Q255-T321 PolarHBondContact O-N 3.47Å; E256-T321 WeakPolarHBondContact CA-O 3.46Å; T257-T321 PolarHBondContact N-O 3.25Å; T321-T328 HydrophobicContact CG2-CG2 4.23Å; T321-N329 HydrophobicContact CG2-CB 4.43Å
322	Q	93.5	Very high	90.4	Very high	36 Å²	36	47.7 Å²	47.7	17%	0.168	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	116.9	177	-166.4	178	44.2	0	0	111.1	T257 T260 P262 K324	T257-Q322 WeakPolarHBondContact O-CA 3.23Å; T260-Q322 PolarHBondContact O-NE2 3.45Å; P262-Q322 HydrophobicContact CG-CB 4.11Å; Q322-K324 HydrophobicContact CG-CG 4.32Å
323	T	92.6	Very high	91	Very high	14 Å²	14	47.7 Å²	47.7	9%	0.086	27%	0.271	C	S	.	.			trans	-102.2	89	-179.5	-55.5	0	0	0	0	110.6	E256 T257	E256-T323 VanDerWaalsContact OE1-CB 3.29Å; E256-T323 WeakPolarHBondContact OE1-CB 3.44Å; E256-T323 PolarHBondContact OE1-OG1 2.84Å; T257-T323 PolarHBondContact O-N 2.85Å
324	K	89.5	Confident	91.3	Very high	147 Å²	147	47.8 Å²	47.8	64%	0.639	27%	0.274	S	S	*	.	S	Bend	trans	-79.3	-31.8	173.2	-64.2	-179.9	-172.5	159.7	0	113.1	Q322	Q322-K324 HydrophobicContact CG-CG 4.32Å
325	V	89.5	Confident	91.6	Very high	119 Å²	119	48.7 Å²	48.7	72%	0.721	28%	0.28	S	S	*	.	S	Bend	trans	-141.6	122.9	179.1	-176	0	0	0	0	106.7
326	P	87.3	Confident	91.8	Very high	105 Å²	105	49.3 Å²	49.3	68%	0.682	28%	0.28	S	S	*	.	S	Bend	trans	-63.7	155.8	175.7	-23.8	35.1	0	0	0	112.8
327	P	89.3	Confident	92	Very high	118 Å²	118	48.3 Å²	48.3	77%	0.766	28%	0.276	S	S	*	.	S	Bend	cis	-80.5	153.4	2.5	33	-36	0	0	0	113.8
328	T	92.4	Very high	92.1	Very high	22 Å²	22	49.1 Å²	49.1	14%	0.135	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-57	135.7	171.1	-47.3	0	0	0	0	111.5	F254 E256 T321 F330	F254-T328 HydrophobicContact CZ-CG2 4.5Å; E256-T328 HydrophobicContact CG-CG2 4.3Å; E256-T328 WeakPolarHBondContact OE1-CB 3.36Å; E256-T328 WeakPolarHBondContact OE1-CG2 3.48Å; E256-T328 PolarHBondContact OE1-OG1 3.5Å; E256-T328 WeakPolarHBondContact OE2-CG2 3.5Å; T321-T328 HydrophobicContact CG2-CG2 4.23Å; T328-F330 HydrophobicContact CG2-CD1 4.27Å; T328-F330 HydrophobicContact CG2-CD2 4.43Å; T328-F330 HydrophobicContact CG2-CE1 3.8Å; T328-F330 HydrophobicContact CG2-CE2 4Å; T328-F330 HydrophobicContact CG2-CZ 3.66Å; T328-F330 VanDerWaalsContact O-CD2 3.32Å; T328-F330 WeakPolarHBondContact O-CD2 3.36Å; T328-F330 PolarHBondContact O-N 2.96Å
329	N	92.9	Very high	91.9	Very high	96 Å²	96	53.5 Å²	53.5	51%	0.513	30%	0.302	S	S	.	.			trans	-82.4	98.2	175.2	-177.4	6.1	0	0	0	111.4	T321 Q331 P332	T321-N329 HydrophobicContact CG2-CB 4.43Å; N329-Q331 VanDerWaalsContact C-N 3.34Å; N329-Q331 VanDerWaalsContact OD1-CB 3.24Å; N329-Q331 WeakPolarHBondContact OD1-CB 3.31Å; N329-Q331 PolarHBondContact OD1-N 3.11Å; N329-Q331 VanDerWaalsContact OD1-N 3.09Å; N329-P332 VanDerWaalsContact O-CD 3.28Å; N329-P332 WeakPolarHBondContact O-CD 3.38Å
330	F	94.2	Very high	91.8	Very high	16 Å²	16	55.4 Å²	55.4	7%	0.07	31%	0.31	C	S	.	.			trans	-81.9	-5.4	177.9	-65.5	-72.9	0	0	0	115	T132 Q135 A136 F254 T328 P332 L333 A334	T132-F330 HydrophobicContact CG2-CD1 4.14Å; T132-F330 HydrophobicContact CG2-CE1 3.91Å; Q135-F330 HydrophobicContact CB-CD2 3.38Å; Q135-F330 HydrophobicContact CB-CE2 3.4Å; Q135-F330 HydrophobicContact CB-CG 4.2Å; Q135-F330 HydrophobicContact CB-CZ 4.25Å; Q135-F330 HydrophobicContact CG-CD2 4.32Å; Q135-F330 HydrophobicContact CG-CE2 3.89Å; A136-F330 HydrophobicContact CB-CB 3.82Å; A136-F330 HydrophobicContact CB-CD1 4.33Å; A136-F330 HydrophobicContact CB-CG 4.23Å; F254-F330 HydrophobicContact CE1-CD1 4.31Å; F254-F330 HydrophobicContact CE1-CE1 4.09Å; F254-F330 HydrophobicContact CZ-CD1 4.21Å; F254-F330 HydrophobicContact CZ-CE1 4.38Å; T328-F330 HydrophobicContact CG2-CD1 4.27Å; T328-F330 HydrophobicContact CG2-CD2 4.43Å; T328-F330 HydrophobicContact CG2-CE1 3.8Å; T328-F330 HydrophobicContact CG2-CE2 4Å; T328-F330 HydrophobicContact CG2-CZ 3.66Å; T328-F330 VanDerWaalsContact O-CD2 3.32Å; T328-F330 WeakPolarHBondContact O-CD2 3.36Å; T328-F330 PolarHBondContact O-N 2.96Å; F330-P332 VanDerWaalsContact C-CD 3.45Å; F330-L333 WeakPolarHBondContact O-CB 3.49Å; F330-L333 PolarHBondContact O-N 2.6Å; F330-L333 VanDerWaalsContact O-N 3.14Å; F330-A334 PolarHBondContact O-N 3.34Å
331	Q	92.4	Very high	91.7	Very high	123 Å²	123	55.2 Å²	55.2	58%	0.575	31%	0.306	S	S	*	.	H	α-helix	trans	-59.6	-36.2	-176.9	-169.2	61.2	27.6	0	0	114.5	N329 S335	N329-Q331 VanDerWaalsContact C-N 3.34Å; N329-Q331 VanDerWaalsContact OD1-CB 3.24Å; N329-Q331 WeakPolarHBondContact OD1-CB 3.31Å; N329-Q331 PolarHBondContact OD1-N 3.11Å; N329-Q331 VanDerWaalsContact OD1-N 3.09Å; Q331-S335 PolarHBondContact NE2-OG 3.48Å; Q331-S335 WeakPolarHBondContact O-CB 3.42Å; Q331-S335 PolarHBondContact O-N 3.45Å; Q331-S335 PolarHBondContact O-OG 2.97Å
332	P	92.2	Very high	91.4	Very high	50 Å²	50	62.4 Å²	62.4	33%	0.325	33%	0.331	S	S	.	.	H	α-helix	trans	-61.6	-42.3	174	-23.4	35.3	0	0	0	112.6	V319 N329 F330 S335 M336	V319-P332 HydrophobicContact CG1-CB 3.86Å; N329-P332 VanDerWaalsContact O-CD 3.28Å; N329-P332 WeakPolarHBondContact O-CD 3.38Å; F330-P332 VanDerWaalsContact C-CD 3.45Å; P332-S335 PolarHBondContact O-N 3.1Å; P332-M336 WeakPolarHBondContact O-CB 3.5Å; P332-M336 PolarHBondContact O-N 3.09Å
333	L	94.6	Very high	90.8	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-63.9	-53.3	177.5	177.6	60	0	0	0	110.9	T132 A136 I200 V252 F254 F330 S335 M336 V337	T132-L333 HydrophobicContact CG2-CD2 3.64Å; A136-L333 HydrophobicContact CB-CD2 4.29Å; I200-L333 HydrophobicContact CD1-CD1 4.32Å; I200-L333 HydrophobicContact CG2-CD1 4.18Å; I200-L333 HydrophobicContact CG2-CD2 4.42Å; V252-L333 HydrophobicContact CG1-CD1 3.94Å; F254-L333 HydrophobicContact CB-CD1 4.05Å; F254-L333 HydrophobicContact CB-CD2 4.21Å; F254-L333 HydrophobicContact CD1-CD2 4.31Å; F254-L333 HydrophobicContact CD2-CB 3.7Å; F254-L333 HydrophobicContact CD2-CD1 3.94Å; F254-L333 HydrophobicContact CD2-CD2 3.88Å; F254-L333 HydrophobicContact CD2-CG 4.04Å; F254-L333 HydrophobicContact CE2-CB 3.79Å; F254-L333 HydrophobicContact CE2-CD2 4.35Å; F254-L333 HydrophobicContact CG-CD1 4.23Å; F254-L333 HydrophobicContact CG-CD2 3.84Å; F254-L333 HydrophobicContact CG-CG 4.41Å; F330-L333 WeakPolarHBondContact O-CB 3.49Å; F330-L333 PolarHBondContact O-N 2.6Å; F330-L333 VanDerWaalsContact O-N 3.14Å; L333-S335 VanDerWaalsContact C-N 3.26Å; L333-S335 PolarHBondContact O-N 2.98Å; L333-M336 PolarHBondContact O-N 2.94Å; L333-V337 HydrophobicContact CD1-CG2 3.87Å; L333-V337 HydrophobicContact CG-CG2 4.45Å; L333-V337 WeakPolarHBondContact O-CB 3.22Å; L333-V337 WeakPolarHBondContact O-CG2 3.22Å; L333-V337 PolarHBondContact O-N 3.17Å
334	A	94.3	Very high	90.1	Very high	15 Å²	15	65.3 Å²	65.3	12%	0.124	35%	0.347	C	S	.	.	H	α-helix	trans	-57.1	-42	179	0	0	0	0	0	111.4	F137 F330 A338	F137-A334 HydrophobicContact CE1-CB 4.36Å; F330-A334 PolarHBondContact O-N 3.34Å; A334-A338 WeakPolarHBondContact O-CB 3.27Å; A334-A338 PolarHBondContact O-N 3.44Å
335	S	92.2	Very high	89.2	Confident	58 Å²	58	60 Å²	60	41%	0.406	33%	0.329	S	S	.	.	H	α-helix	trans	-67.4	-41.3	178.4	-57.4	0	0	0	0	113	Q331 P332 L333 K339	Q331-S335 PolarHBondContact NE2-OG 3.48Å; Q331-S335 WeakPolarHBondContact O-CB 3.42Å; Q331-S335 PolarHBondContact O-N 3.45Å; Q331-S335 PolarHBondContact O-OG 2.97Å; P332-S335 PolarHBondContact O-N 3.1Å; L333-S335 VanDerWaalsContact C-N 3.26Å; L333-S335 PolarHBondContact O-N 2.98Å; S335-K339 PolarHBondContact O-N 3.06Å
336	M	91.9	Very high	88.4	Confident	44 Å²	44	55.6 Å²	55.6	22%	0.217	30%	0.301	C	S	.	.	H	α-helix	trans	-67.8	-44.1	177.4	-174.6	63	77.2	0	0	111.5	V317 V319 P332 L333 K339 K340	V317-M336 HydrophobicContact CG1-CE 4.03Å; V317-M336 HydrophobicContact CG1-CG 3.9Å; V317-M336 HydrophobicContact CG1-SD 3.88Å; V319-M336 HydrophobicContact CG2-CB 3.76Å; V319-M336 HydrophobicContact CG2-CE 4.35Å; V319-M336 HydrophobicContact CG2-CG 3.73Å; P332-M336 WeakPolarHBondContact O-CB 3.5Å; P332-M336 PolarHBondContact O-N 3.09Å; L333-M336 PolarHBondContact O-N 2.94Å; M336-K339 WeakPolarHBondContact O-CB 3.41Å; M336-K339 PolarHBondContact O-N 3.21Å; M336-K339 VanDerWaalsContact O-N 3.14Å; M336-K340 PolarHBondContact O-N 2.94Å
337	V	93.6	Very high	88	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.4	-43.8	177.2	171.7	0	0	0	0	110.3	I119 F137 V198 I200 V252 L333 K339 K340 I341	I119-V337 HydrophobicContact CD1-CG1 3.97Å; I119-V337 HydrophobicContact CG2-CG1 4.32Å; F137-V337 HydrophobicContact CE1-CB 4.17Å; F137-V337 HydrophobicContact CE1-CG1 3.9Å; F137-V337 HydrophobicContact CZ-CB 4.04Å; F137-V337 HydrophobicContact CZ-CG1 3.84Å; F137-V337 HydrophobicContact CZ-CG2 4.18Å; V198-V337 HydrophobicContact CG1-CG1 4.48Å; V198-V337 HydrophobicContact CG1-CG2 4.39Å; I200-V337 HydrophobicContact CD1-CG2 4.05Å; I200-V337 HydrophobicContact CG1-CG2 4.2Å; V252-V337 HydrophobicContact CG2-CG2 4.35Å; L333-V337 HydrophobicContact CD1-CG2 3.87Å; L333-V337 HydrophobicContact CG-CG2 4.45Å; L333-V337 WeakPolarHBondContact O-CB 3.22Å; L333-V337 WeakPolarHBondContact O-CG2 3.22Å; L333-V337 PolarHBondContact O-N 3.17Å; V337-K339 VanDerWaalsContact C-N 3.27Å; V337-K339 PolarHBondContact O-N 2.89Å; V337-K340 PolarHBondContact O-N 2.92Å; V337-K340 VanDerWaalsContact O-N 3.11Å; V337-I341 HydrophobicContact CG1-CD1 3.48Å; V337-I341 VanDerWaalsContact CG1-CD1 3.48Å; V337-I341 HydrophobicContact CG1-CG1 4.12Å; V337-I341 WeakPolarHBondContact O-CG1 3.48Å; V337-I341 PolarHBondContact O-N 3.35Å
338	A	91.9	Very high	87.6	Confident	27 Å²	27	45.7 Å²	45.7	22%	0.223	24%	0.236	C	C	.	.	H	α-helix	trans	-66.6	-22.3	173.1	0	0	0	0	0	114	A334 R342	A334-A338 WeakPolarHBondContact O-CB 3.27Å; A334-A338 PolarHBondContact O-N 3.44Å; A338-R342 PolarHBondContact O-NE 3.15Å; A338-R342 PolarHBondContact O-NH2 3.2Å
339	K	89.7	Confident	87.3	Confident	99 Å²	99	46.9 Å²	46.9	43%	0.43	24%	0.244	S	C	.	.	H	α-helix	trans	-72.8	-44.3	167.6	-173.8	179.6	179.9	-178.4	0	111.1	E289 S335 M336 V337	E289-K339 IonicContact OE1-NZ 2.84Å; E289-K339 PolarHBondContact OE1-NZ 3.42Å; S335-K339 PolarHBondContact O-N 3.06Å; M336-K339 WeakPolarHBondContact O-CB 3.41Å; M336-K339 PolarHBondContact O-N 3.21Å; M336-K339 VanDerWaalsContact O-N 3.14Å; V337-K339 VanDerWaalsContact C-N 3.27Å; V337-K339 PolarHBondContact O-N 2.89Å
340	K	90.3	Very high	87	Confident	46 Å²	46	42.6 Å²	42.6	20%	0.2	22%	0.221	C	C	.	.	H	α-helix	trans	-78.2	-32.2	-175.4	-72.9	-75.6	175.1	166.4	0	114.4	V198 V250 S315 M336 V337 R342 D343	V198-K340 HydrophobicContact CG2-CB 4.41Å; V250-K340 HydrophobicContact CG1-CB 4.15Å; V250-K340 HydrophobicContact CG1-CD 3.95Å; V250-K340 HydrophobicContact CG1-CG 4.04Å; V250-K340 HydrophobicContact CG2-CD 4.35Å; S315-K340 PolarHBondContact OG-NZ 3.32Å; M336-K340 PolarHBondContact O-N 2.94Å; V337-K340 PolarHBondContact O-N 2.92Å; V337-K340 VanDerWaalsContact O-N 3.11Å; K340-R342 VanDerWaalsContact C-N 3.3Å; K340-R342 PolarHBondContact O-N 2.94Å; K340-D343 VanDerWaalsContact O-CB 3.27Å; K340-D343 WeakPolarHBondContact O-CB 3.36Å; K340-D343 PolarHBondContact O-N 2.82Å
341	I	89.9	Confident	86.6	Confident	8 Å²	8	45.7 Å²	45.7	4%	0.041	23%	0.234	C	C	.	.	H	α-helix	trans	-65.5	-33.5	177.5	-71.4	170.1	0	0	0	112.6	K117 I119 Y167 V198 V337 D343	K117-I341 HydrophobicContact CB-CG2 3.6Å; K117-I341 HydrophobicContact CD-CG2 4.13Å; K117-I341 HydrophobicContact CG-CG2 3.66Å; I119-I341 HydrophobicContact CD1-CD1 3.32Å; I119-I341 HydrophobicContact CG1-CD1 3.56Å; Y167-I341 HydrophobicContact CD1-CD1 4.29Å; Y167-I341 HydrophobicContact CD1-CG2 4.31Å; Y167-I341 HydrophobicContact CD2-CD1 4.41Å; Y167-I341 HydrophobicContact CE1-CB 4.49Å; Y167-I341 HydrophobicContact CE1-CD1 3.98Å; Y167-I341 HydrophobicContact CE1-CG2 3.68Å; Y167-I341 HydrophobicContact CE2-CD1 4.07Å; V198-I341 HydrophobicContact CG2-CG1 3.6Å; V337-I341 HydrophobicContact CG1-CD1 3.48Å; V337-I341 VanDerWaalsContact CG1-CD1 3.48Å; V337-I341 HydrophobicContact CG1-CG1 4.12Å; V337-I341 WeakPolarHBondContact O-CG1 3.48Å; V337-I341 PolarHBondContact O-N 3.35Å; I341-D343 PolarHBondContact O-N 2.87Å
342	R	86.1	Confident	86.4	Confident	168 Å²	168	39.9 Å²	39.9	63%	0.634	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-12.1	174.1	-74	-177.9	-72	161.5	-3.1	113.1	A338 K340 I344	A338-R342 PolarHBondContact O-NE 3.15Å; A338-R342 PolarHBondContact O-NH2 3.2Å; K340-R342 VanDerWaalsContact C-N 3.3Å; K340-R342 PolarHBondContact O-N 2.94Å; R342-I344 PolarHBondContact O-N 2.74Å
343	D	80.5	Confident	86.2	Confident	75 Å²	75	39.3 Å²	39.3	40%	0.401	20%	0.203	S	C	.	.			trans	-77	94.2	172.1	-166.3	-12.1	0	0	0	110.4	K340 I341 S345	K340-D343 VanDerWaalsContact O-CB 3.27Å; K340-D343 WeakPolarHBondContact O-CB 3.36Å; K340-D343 PolarHBondContact O-N 2.82Å; I341-D343 PolarHBondContact O-N 2.87Å; D343-S345 PolarHBondContact O-N 3.43Å; D343-S345 WeakPolarHBondContact OD1-CB 3.46Å; D343-S345 PolarHBondContact OD1-N 3.14Å; D343-S345 PolarHBondContact OD1-OG 3.41Å; D343-S345 PolarHBondContact OD2-OG 3.14Å
344	I	77.1	Confident	85.7	Confident	36 Å²	36	41.9 Å²	41.9	19%	0.185	22%	0.215	C	C	.	.			trans	-84.4	14.1	173.5	60.3	170.3	0	0	0	112.7	R342 V346 T383 C396	R342-I344 PolarHBondContact O-N 2.74Å; I344-V346 VanDerWaalsContact C-N 3.27Å; I344-V346 PolarHBondContact O-N 3.21Å; I344-T383 WeakPolarHBondContact O-CB 3.44Å; I344-T383 VanDerWaalsContact O-CG2 3.29Å; I344-T383 WeakPolarHBondContact O-CG2 3.35Å; I344-T383 PolarHBondContact O-OG1 3.25Å; I344-C396 HydrophobicContact CD1-CB 4.04Å
345	S	71.8	Confident	85.3	Confident	36 Å²	36	41.6 Å²	41.6	25%	0.252	21%	0.211	S	C	.	.	S	Bend	trans	-67.4	-24.2	-175.5	63.6	0	0	0	0	114.9	D343 R394	D343-S345 PolarHBondContact O-N 3.43Å; D343-S345 WeakPolarHBondContact OD1-CB 3.46Å; D343-S345 PolarHBondContact OD1-N 3.14Å; D343-S345 PolarHBondContact OD1-OG 3.41Å; D343-S345 PolarHBondContact OD2-OG 3.14Å; S345-R394 PolarHBondContact O-NH1 3.43Å; S345-R394 PolarHBondContact O-NH2 3.32Å
346	V	72.4	Confident	85.1	Confident	25 Å²	25	39 Å²	39	15%	0.152	19%	0.192	C	C	.	.	S	Bend	trans	-115.5	-62.7	178.7	-174.6	0	0	0	0	111.2	L247 I344 F382 T383	L247-V346 HydrophobicContact CD2-CG1 4.26Å; I344-V346 VanDerWaalsContact C-N 3.27Å; I344-V346 PolarHBondContact O-N 3.21Å; V346-F382 HydrophobicContact CG1-CD1 4.07Å; V346-F382 HydrophobicContact CG1-CE1 4.23Å; V346-F382 CarbonylContact O-C 3.56Å; V346-F382 VanDerWaalsContact O-CA 3.24Å; V346-F382 WeakPolarHBondContact O-CA 3.11Å; V346-F382 WeakPolarHBondContact O-CD1 3.26Å; V346-T383 PolarHBondContact O-N 3Å
347	R	79.2	Confident	84.7	Confident	11 Å²	11	41.8 Å²	41.8	4%	0.042	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-107.3	134.1	-168.9	-57.2	-175.3	154.9	-127.8	-25.2	110.8	K117 F193 A194 A196 D197 L247 G248 Y381 T383	K117-R347 PolarHBondContact NZ-O 3.08Å; F193-R347 PolarHBondContact O-NH1 3.06Å; A194-R347 PolarHBondContact O-NH1 2.8Å; A196-R347 VanDerWaalsContact O-CD 3.28Å; A196-R347 WeakPolarHBondContact O-CD 3.21Å; A196-R347 PolarHBondContact O-NH1 3.34Å; D197-R347 VanDerWaalsContact OD1-CB 3.32Å; D197-R347 WeakPolarHBondContact OD1-CB 3.49Å; L247-R347 VanDerWaalsContact O-CZ 3.24Å; L247-R347 PolarHBondContact O-NE 2.89Å; L247-R347 PolarHBondContact O-NH2 2.8Å; G248-R347 VanDerWaalsContact C-NE 3.3Å; G248-R347 PolarHBondContact O-NE 2.93Å; R347-Y381 HydrophobicContact CB-CE1 4.06Å; R347-Y381 HydrophobicContact CG-CD1 4.21Å; R347-Y381 HydrophobicContact CG-CE1 3.7Å; R347-Y381 VanDerWaalsContact NH1-CZ 3.3Å; R347-Y381 PolarHBondContact NH1-OH 3.45Å; R347-T383 PolarHBondContact O-OG1 2.9Å
348	A	80.8	Confident	84.1	Confident	4 Å²	4	42.3 Å²	42.3	3%	0.033	21%	0.207	C	C	.	.			trans	-90.5	155.6	-177.8	0	0	0	0	0	112.7	R350 Y381 T383	A348-R350 WeakPolarHBondContact O-CG 3.48Å; A348-R350 PolarHBondContact O-N 2.9Å; A348-R350 PolarHBondContact O-NE 3.37Å; A348-Y381 PolarHBondContact N-O 2.96Å; A348-Y381 VanDerWaalsContact N-O 3.16Å; A348-T383 PolarHBondContact N-OG1 2.85Å
349	P	85.8	Confident	83.7	Confident	47 Å²	47	41.3 Å²	41.3	31%	0.305	20%	0.198	S	C	.	.			trans	-63.9	129.4	164.6	-16.8	31.2	0	0	0	110.3	V116 K117	V116-P349 WeakPolarHBondContact O-CA 3.42Å; K117-P349 HydrophobicContact CG-CB 4.37Å; K117-P349 HydrophobicContact CG-CG 4.42Å
350	R	86.4	Confident	83.4	Confident	6 Å²	6	39.6 Å²	39.6	2%	0.023	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	148.1	-169.6	-70.6	158.9	-67.8	147.6	-1.4	111.3	T115 V116 L195 D197 A348 I355 Y381	T115-R350 CarbonylContact C-O 3.34Å; T115-R350 WeakPolarHBondContact CA-O 3.48Å; V116-R350 PolarHBondContact N-O 2.67Å; V116-R350 PolarHBondContact O-N 3.28Å; L195-R350 PolarHBondContact O-NH1 3.03Å; L195-R350 PolarHBondContact O-NH2 3.18Å; D197-R350 IonicContact OD1-NH2 3.7Å; D197-R350 IonicContact OD2-CZ 2.72Å; D197-R350 IonicContact OD2-NH2 3.33Å; D197-R350 PolarHBondContact OD2-NH2 3.07Å; A348-R350 WeakPolarHBondContact O-CG 3.48Å; A348-R350 PolarHBondContact O-N 2.9Å; A348-R350 PolarHBondContact O-NE 3.37Å; R350-I355 HydrophobicContact CB-CD1 4.08Å; R350-I355 HydrophobicContact CB-CG1 3.99Å; R350-Y381 PolarHBondContact NH1-OH 3.23Å; R350-Y381 PolarHBondContact NH2-OH 3.03Å; R350-Y381 VanDerWaalsContact NH2-OH 3.16Å
351	K	86.5	Confident	82.7	Confident	81 Å²	81	38.6 Å²	38.6	35%	0.352	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	149.9	171.5	-70.4	-172.4	174.6	-172.7	0	110.5	D113 T115 V353 H354 I355	D113-K351 WeakPolarHBondContact O-CE 3.44Å; T115-K351 HydrophobicContact CG2-CG 4.22Å; K351-V353 VanDerWaalsContact C-N 3.28Å; K351-V353 HydrophobicContact CB-CG1 3.99Å; K351-V353 HydrophobicContact CD-CG1 4.38Å; K351-V353 PolarHBondContact O-N 3.5Å; K351-H354 PolarHBondContact O-N 3.4Å; K351-H354 VanDerWaalsContact O-N 3.07Å; K351-I355 PolarHBondContact O-N 3.47Å; K351-I355 VanDerWaalsContact O-N 3.16Å
352	L	88.2	Confident	82.2	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-59.5	-37.6	179.2	-178.3	57.5	0	0	0	112.6	L104 A105 L108 C110 L168 H354 I355 F356	L104-L352 HydrophobicContact CD2-CD1 4.26Å; L104-L352 HydrophobicContact CG-CD2 4.45Å; A105-L352 HydrophobicContact CB-CD2 3.74Å; L108-L352 HydrophobicContact CD1-CD1 4.23Å; L108-L352 HydrophobicContact CD1-CD2 3.89Å; C110-L352 HydrophobicContact CB-CD2 3.93Å; L168-L352 HydrophobicContact CD2-CD1 3.99Å; L352-H354 VanDerWaalsContact C-N 3.31Å; L352-H354 PolarHBondContact O-N 2.94Å; L352-I355 HydrophobicContact CD1-CG2 4.38Å; L352-I355 WeakPolarHBondContact O-CB 3.2Å; L352-I355 PolarHBondContact O-N 3.37Å; L352-F356 WeakPolarHBondContact O-CB 3.18Å; L352-F356 PolarHBondContact O-N 3.3Å
353	V	86.4	Confident	81.8	Confident	38 Å²	38	31.1 Å²	31.1	23%	0.23	17%	0.165	C	C	.	.	H	α-helix	trans	-60.1	-36.7	174.1	52.8	0	0	0	0	113.6	A101 K351 F356 H357	A101-V353 HydrophobicContact CB-CB 3.61Å; A101-V353 HydrophobicContact CB-CG2 3.69Å; K351-V353 VanDerWaalsContact C-N 3.28Å; K351-V353 HydrophobicContact CB-CG1 3.99Å; K351-V353 HydrophobicContact CD-CG1 4.38Å; K351-V353 PolarHBondContact O-N 3.5Å; V353-F356 PolarHBondContact O-N 3.46Å; V353-H357 WeakPolarHBondContact CG2-CE1 3.45Å; V353-H357 PolarHBondContact O-N 3.1Å; V353-H357 PolarHBondContact O-ND1 3.33Å
354	H	84.4	Confident	81.5	Confident	54 Å²	54	32.4 Å²	32.4	25%	0.25	18%	0.175	C	C	.	.	H	α-helix	trans	-71.6	-44.4	178.6	-56.9	-159.7	0	0	0	109.7	K351 L352 F356 H357 I358 E380	K351-H354 PolarHBondContact O-N 3.4Å; K351-H354 VanDerWaalsContact O-N 3.07Å; L352-H354 VanDerWaalsContact C-N 3.31Å; L352-H354 PolarHBondContact O-N 2.94Å; H354-F356 PolarHBondContact O-N 3.04Å; H354-H357 PolarHBondContact O-N 2.88Å; H354-I358 WeakPolarHBondContact O-CB 3.25Å; H354-I358 WeakPolarHBondContact O-CD1 3.43Å; H354-I358 VanDerWaalsContact O-CG1 3.25Å; H354-I358 WeakPolarHBondContact O-CG1 3.45Å; H354-I358 PolarHBondContact O-N 3.28Å; H354-E380 IonicContact CE1-OE1 3.25Å; H354-E380 PolarHBondContact CE1-OE1 3.23Å; H354-E380 IonicContact CE1-OE2 3.58Å; H354-E380 PolarHBondContact CE1-OE2 2.91Å; H354-E380 IonicContact CG-OE2 2.65Å; H354-E380 VanDerWaalsContact CG-OE2 3.28Å; H354-E380 IonicContact ND1-OE1 2.71Å; H354-E380 PolarHBondContact ND1-OE1 3.15Å; H354-E380 IonicContact ND1-OE2 3.33Å; H354-E380 PolarHBondContact ND1-OE2 2.93Å
355	I	86.6	Confident	81	Confident	9 Å²	9	32.6 Å²	32.6	5%	0.046	17%	0.174	C	C	.	.	H	α-helix	trans	-55.8	-38.3	172.6	-74.1	169.4	0	0	0	111.8	V116 L118 L168 L195 R350 K351 L352 I358 L359	V116-I355 HydrophobicContact CG2-CD1 3.5Å; V116-I355 VanDerWaalsContact CG2-CD1 3.5Å; L118-I355 HydrophobicContact CD1-CD1 4.44Å; L118-I355 HydrophobicContact CD1-CG2 4.03Å; L168-I355 HydrophobicContact CD2-CG2 4.29Å; L195-I355 HydrophobicContact CD2-CG2 3.86Å; R350-I355 HydrophobicContact CB-CD1 4.08Å; R350-I355 HydrophobicContact CB-CG1 3.99Å; K351-I355 PolarHBondContact O-N 3.47Å; K351-I355 VanDerWaalsContact O-N 3.16Å; L352-I355 HydrophobicContact CD1-CG2 4.38Å; L352-I355 WeakPolarHBondContact O-CB 3.2Å; L352-I355 PolarHBondContact O-N 3.37Å; I355-I358 WeakPolarHBondContact O-CB 3.36Å; I355-L359 PolarHBondContact O-N 2.73Å
356	F	87.7	Confident	80.9	Confident	3 Å²	3	31.5 Å²	31.5	1%	0.013	17%	0.165	C	C	.	.	H	α-helix	trans	-73.9	-48.2	-178.9	178.4	-101.9	0	0	0	113.2	V96 F98 E99 D100 A101 L104 L352 V353 H354 I358 L359 Q360	V96-F356 HydrophobicContact CG1-CE2 4.09Å; F98-F356 HydrophobicContact CB-CE2 3.88Å; F98-F356 HydrophobicContact CB-CZ 4.25Å; F98-F356 VanDerWaalsContact O-CZ 3.29Å; F98-F356 WeakPolarHBondContact O-CZ 3.33Å; E99-F356 WeakPolarHBondContact O-CE1 3.47Å; D100-F356 VanDerWaalsContact C-CE1 3.45Å; A101-F356 HydrophobicContact CB-CB 3.92Å; A101-F356 HydrophobicContact CB-CD1 3.59Å; A101-F356 HydrophobicContact CB-CE1 4.32Å; A101-F356 HydrophobicContact CB-CG 3.91Å; L104-F356 HydrophobicContact CD2-CD2 3.69Å; L104-F356 HydrophobicContact CD2-CE2 4.34Å; L104-F356 HydrophobicContact CD2-CG 4.48Å; L352-F356 WeakPolarHBondContact O-CB 3.18Å; L352-F356 PolarHBondContact O-N 3.3Å; V353-F356 PolarHBondContact O-N 3.46Å; H354-F356 PolarHBondContact O-N 3.04Å; F356-I358 VanDerWaalsContact C-N 3.26Å; F356-I358 PolarHBondContact O-N 2.72Å; F356-L359 WeakPolarHBondContact O-CA 3.24Å; F356-L359 WeakPolarHBondContact O-CB 3.26Å; F356-L359 PolarHBondContact O-N 3Å; F356-Q360 HydrophobicContact CE1-CG 4.08Å; F356-Q360 HydrophobicContact CE2-CG 4.37Å; F356-Q360 HydrophobicContact CZ-CG 4.01Å; F356-Q360 PolarHBondContact O-N 3.01Å
357	H	83.3	Confident	80.5	Confident	103 Å²	103	34.4 Å²	34.4	48%	0.477	19%	0.186	S	C	.	.	H	α-helix	trans	-59.6	-39.5	173.6	-62.9	157	0	0	0	111.7	V353 H354 Q360 A361	V353-H357 WeakPolarHBondContact CG2-CE1 3.45Å; V353-H357 PolarHBondContact O-N 3.1Å; V353-H357 PolarHBondContact O-ND1 3.33Å; H354-H357 PolarHBondContact O-N 2.88Å; H357-Q360 PolarHBondContact O-N 3Å; H357-A361 VanDerWaalsContact O-CB 3.27Å; H357-A361 WeakPolarHBondContact O-CB 3.33Å; H357-A361 PolarHBondContact O-N 2.75Å
358	I	80.6	Confident	79.1	Confident	10 Å²	10	37.3 Å²	37.3	5%	0.051	21%	0.208	C	C	.	.	H	α-helix	trans	-55.2	-48.7	169.8	-85.6	171.2	0	0	0	110.9	L195 H354 I355 F356 A361 L362 F377 Y381	L195-I358 HydrophobicContact CD2-CG2 3.44Å; L195-I358 VanDerWaalsContact CD2-CG2 3.44Å; L195-I358 HydrophobicContact CG-CG2 4.08Å; H354-I358 WeakPolarHBondContact O-CB 3.25Å; H354-I358 WeakPolarHBondContact O-CD1 3.43Å; H354-I358 VanDerWaalsContact O-CG1 3.25Å; H354-I358 WeakPolarHBondContact O-CG1 3.45Å; H354-I358 PolarHBondContact O-N 3.28Å; I355-I358 WeakPolarHBondContact O-CB 3.36Å; F356-I358 VanDerWaalsContact C-N 3.26Å; F356-I358 PolarHBondContact O-N 2.72Å; I358-A361 PolarHBondContact O-N 3.38Å; I358-L362 WeakPolarHBondContact O-CG 3.44Å; I358-L362 PolarHBondContact O-N 3.45Å; I358-F377 HydrophobicContact CB-CE2 3.89Å; I358-F377 HydrophobicContact CB-CZ 3.87Å; I358-F377 HydrophobicContact CG1-CD2 4.27Å; I358-F377 HydrophobicContact CG1-CE1 4.45Å; I358-F377 HydrophobicContact CG1-CE2 3.87Å; I358-F377 HydrophobicContact CG1-CZ 4Å; I358-F377 HydrophobicContact CG2-CE1 3.88Å; I358-F377 HydrophobicContact CG2-CE2 3.79Å; I358-F377 HydrophobicContact CG2-CZ 3.22Å; I358-F377 WeakPolarHBondContact O-CE2 3.38Å; I358-Y381 HydrophobicContact CD1-CD2 4.29Å
359	L	84.7	Confident	77.2	Confident	7 Å²	7	45 Å²	45	4%	0.037	25%	0.248	C	C	.	.	H	α-helix	trans	-63.5	-46.5	178.2	177	59.5	0	0	0	112.2	L89 I90 V96 L195 I355 F356 A361 L362 N363	L89-L359 HydrophobicContact CD1-CD2 4.24Å; I90-L359 HydrophobicContact CD1-CD1 3.89Å; V96-L359 HydrophobicContact CG1-CD2 4.35Å; V96-L359 HydrophobicContact CG2-CD2 4.33Å; V96-L359 HydrophobicContact CG2-CG 4.11Å; L195-L359 HydrophobicContact CD1-CB 4.23Å; L195-L359 HydrophobicContact CD1-CD1 3.88Å; I355-L359 PolarHBondContact O-N 2.73Å; F356-L359 WeakPolarHBondContact O-CA 3.24Å; F356-L359 WeakPolarHBondContact O-CB 3.26Å; F356-L359 PolarHBondContact O-N 3Å; L359-A361 PolarHBondContact O-N 3.32Å; L359-L362 PolarHBondContact O-N 3.1Å; L359-N363 WeakPolarHBondContact O-CB 3.48Å; L359-N363 PolarHBondContact O-N 2.83Å
360	Q	82.3	Confident	74.9	Confident	62 Å²	62	46.7 Å²	46.7	29%	0.29	25%	0.254	S	S	.	.	H	α-helix	trans	-59	-47.3	176.4	-71.8	-179.9	-40.1	0	0	111.3	E99 F356 H357 L362 N363 T364	E99-Q360 PolarHBondContact O-NE2 3.24Å; F356-Q360 HydrophobicContact CE1-CG 4.08Å; F356-Q360 HydrophobicContact CE2-CG 4.37Å; F356-Q360 HydrophobicContact CZ-CG 4.01Å; F356-Q360 PolarHBondContact O-N 3.01Å; H357-Q360 PolarHBondContact O-N 3Å; Q360-L362 PolarHBondContact O-N 3.39Å; Q360-N363 WeakPolarHBondContact O-CB 3.34Å; Q360-N363 PolarHBondContact O-N 3.12Å; Q360-N363 VanDerWaalsContact O-N 3.07Å; Q360-T364 PolarHBondContact O-N 3.36Å; Q360-T364 PolarHBondContact O-OG1 2.97Å
361	A	76.7	Confident	72.3	Confident	25 Å²	25	52.6 Å²	52.6	21%	0.207	29%	0.293	C	S	.	.	H	α-helix	trans	-61.6	-40.6	179.4	0	0	0	0	0	112.8	H357 I358 L359 R365 T376	H357-A361 VanDerWaalsContact O-CB 3.27Å; H357-A361 WeakPolarHBondContact O-CB 3.33Å; H357-A361 PolarHBondContact O-N 2.75Å; I358-A361 PolarHBondContact O-N 3.38Å; L359-A361 PolarHBondContact O-N 3.32Å; A361-R365 WeakPolarHBondContact O-CB 3.14Å; A361-R365 PolarHBondContact O-N 3.18Å; A361-T376 HydrophobicContact CB-CG2 4.39Å
362	L	77.9	Confident	69.7	Low	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-68.8	-35.8	172	-66.6	-170.2	0	0	0	112.5	K191 A194 F227 I358 L359 Q360 R365 F366 F377	K191-L362 HydrophobicContact CB-CD1 4.44Å; K191-L362 HydrophobicContact CG-CB 4.04Å; K191-L362 HydrophobicContact CG-CD1 4.48Å; A194-L362 HydrophobicContact CB-CD1 3.42Å; A194-L362 VanDerWaalsContact CB-CD1 3.42Å; F227-L362 HydrophobicContact CE1-CD2 3.83Å; F227-L362 HydrophobicContact CZ-CD1 4.39Å; F227-L362 HydrophobicContact CZ-CD2 4.02Å; I358-L362 WeakPolarHBondContact O-CG 3.44Å; I358-L362 PolarHBondContact O-N 3.45Å; L359-L362 PolarHBondContact O-N 3.1Å; Q360-L362 PolarHBondContact O-N 3.39Å; L362-R365 PolarHBondContact O-N 3.38Å; L362-F366 HydrophobicContact CB-CD2 4.04Å; L362-F366 HydrophobicContact CB-CE2 4.14Å; L362-F366 HydrophobicContact CD1-CE2 4.37Å; L362-F366 HydrophobicContact CD2-CE2 4.06Å; L362-F366 HydrophobicContact CG-CE2 4.41Å; L362-F366 WeakPolarHBondContact O-CB 3.27Å; L362-F366 WeakPolarHBondContact O-CD2 3.32Å; L362-F366 PolarHBondContact O-N 3.39Å; L362-F377 HydrophobicContact CD1-CE1 4.2Å; L362-F377 HydrophobicContact CD1-CE2 4.07Å; L362-F377 HydrophobicContact CD1-CZ 3.43Å; L362-F377 VanDerWaalsContact CD1-CZ 3.43Å; L362-F377 HydrophobicContact CD2-CD2 4.05Å; L362-F377 HydrophobicContact CD2-CE1 4.35Å; L362-F377 HydrophobicContact CD2-CE2 3.43Å; L362-F377 VanDerWaalsContact CD2-CE2 3.43Å; L362-F377 HydrophobicContact CD2-CZ 3.57Å; L362-F377 HydrophobicContact CG-CD2 4.47Å; L362-F377 HydrophobicContact CG-CE1 4.4Å; L362-F377 HydrophobicContact CG-CE2 3.42Å; L362-F377 VanDerWaalsContact CG-CE2 3.42Å; L362-F377 HydrophobicContact CG-CZ 3.34Å
363	N	78.9	Confident	67.3	Low	19 Å²	19	59.1 Å²	59.1	10%	0.102	35%	0.349	C	S	.	.	H	α-helix	trans	-61.5	-53	177.7	-145	58.8	0	0	0	109.7	E94 V96 K191 L359 Q360 R365 F366 S367	E94-N363 PolarHBondContact O-ND2 3.03Å; E94-N363 PolarHBondContact O-OD1 3.23Å; V96-N363 HydrophobicContact CG2-CB 3.98Å; K191-N363 WeakPolarHBondContact CE-OD1 3.34Å; K191-N363 PolarHBondContact NZ-OD1 2.82Å; L359-N363 WeakPolarHBondContact O-CB 3.48Å; L359-N363 PolarHBondContact O-N 2.83Å; Q360-N363 WeakPolarHBondContact O-CB 3.34Å; Q360-N363 PolarHBondContact O-N 3.12Å; Q360-N363 VanDerWaalsContact O-N 3.07Å; N363-R365 PolarHBondContact O-N 3.49Å; N363-F366 PolarHBondContact O-N 2.81Å; N363-S367 WeakPolarHBondContact O-CB 3.44Å; N363-S367 PolarHBondContact O-N 3.5Å; N363-S367 PolarHBondContact O-OG 3.15Å
364	T	73.8	Confident	65.1	Low	102 Å²	102	60 Å²	60	63%	0.626	36%	0.356	S	S	*	.	H	α-helix	trans	-56	-47.7	174	-53	0	0	0	0	112.4	Q360 F366 S367	Q360-T364 PolarHBondContact O-N 3.36Å; Q360-T364 PolarHBondContact O-OG1 2.97Å; T364-F366 VanDerWaalsContact C-N 3.29Å; T364-F366 PolarHBondContact O-N 3.15Å; T364-S367 PolarHBondContact O-N 2.81Å
365	R	67.7	Low	63.2	Low	41 Å²	41	61.9 Å²	61.9	16%	0.155	37%	0.373	C	S	.	.	H	α-helix	trans	-63.8	-28.3	-179.5	178.6	172.4	173.5	171.1	-4.2	113.9	H226 D230 A361 L362 N363 L370	H226-R365 PolarHBondContact O-NH2 3.39Å; D230-R365 IonicContact OD1-NH1 3.55Å; D230-R365 IonicContact OD2-CZ 3.08Å; D230-R365 IonicContact OD2-NH1 3.39Å; D230-R365 PolarHBondContact OD2-NH1 2.82Å; D230-R365 IonicContact OD2-NH2 3.21Å; D230-R365 PolarHBondContact OD2-NH2 2.9Å; A361-R365 WeakPolarHBondContact O-CB 3.14Å; A361-R365 PolarHBondContact O-N 3.18Å; L362-R365 PolarHBondContact O-N 3.38Å; N363-R365 PolarHBondContact O-N 3.49Å; R365-L370 HydrophobicContact CG-CD2 3.69Å; R365-L370 WeakPolarHBondContact O-CD2 3.49Å
366	F	68.2	Low	61.4	Low	13 Å²	13	64.8 Å²	64.8	6%	0.057	39%	0.391	C	S	.	.	H	α-helix	trans	-100.6	-11.4	179.1	-69	-56.9	0	0	0	114	R187 L190 K191 H226 F227 L362 N363 T364 S368	R187-F366 HydrophobicContact CB-CB 4.4Å; R187-F366 WeakPolarHBondContact CD-O 3.26Å; R187-F366 HydrophobicContact CG-CB 4.14Å; L190-F366 HydrophobicContact CB-CE2 4.06Å; L190-F366 HydrophobicContact CB-CZ 3.85Å; L190-F366 HydrophobicContact CD1-CE1 4.11Å; L190-F366 HydrophobicContact CD1-CZ 4.19Å; K191-F366 HydrophobicContact CG-CD2 3.84Å; K191-F366 HydrophobicContact CG-CE2 4.26Å; H226-F366 AromaticContact CD2-CE1 3.62Å; F227-F366 HydrophobicContact CZ-CE2 4.36Å; F227-F366 HydrophobicContact CZ-CZ 4.12Å; L362-F366 HydrophobicContact CB-CD2 4.04Å; L362-F366 HydrophobicContact CB-CE2 4.14Å; L362-F366 HydrophobicContact CD1-CE2 4.37Å; L362-F366 HydrophobicContact CD2-CE2 4.06Å; L362-F366 HydrophobicContact CG-CE2 4.41Å; L362-F366 WeakPolarHBondContact O-CB 3.27Å; L362-F366 WeakPolarHBondContact O-CD2 3.32Å; L362-F366 PolarHBondContact O-N 3.39Å; N363-F366 PolarHBondContact O-N 2.81Å; T364-F366 VanDerWaalsContact C-N 3.29Å; T364-F366 PolarHBondContact O-N 3.15Å; F366-S368 VanDerWaalsContact C-N 3.29Å
367	S	63.7	Low	59.8	Low	86 Å²	86	65.5 Å²	65.5	60%	0.601	40%	0.395	S	S	*	.	H	α-helix	trans	-76.2	-14	174.5	-75.7	0	0	0	0	113.7	N363 T364	N363-S367 WeakPolarHBondContact O-CB 3.44Å; N363-S367 PolarHBondContact O-N 3.5Å; N363-S367 PolarHBondContact O-OG 3.15Å; T364-S367 PolarHBondContact O-N 2.81Å
368	S	51.1	Low	58.6	Low	71 Å²	71	61.1 Å²	61.1	50%	0.497	38%	0.375	S	S	.	.	S	Bend	trans	-124	147.6	173.4	58.3	0	0	0	0	110.6	F366 L370	F366-S368 VanDerWaalsContact C-N 3.29Å; S368-L370 PolarHBondContact O-N 3.26Å
369	D	41.1	Very low	57.5	Low	166 Å²	166	63 Å²	63	89%	0.888	38%	0.384	S	S	*	.	S	Bend	trans	-59	134.4	168.4	-64.6	-58.4	0	0	0	110.5
370	L	36.2	Very low	56.3	Low	82 Å²	82	67 Å²	67	43%	0.429	40%	0.402	S	S	.	.	S	Bend	trans	-66.7	147.9	-170.8	-65.4	160.5	0	0	0	111.3	R365 S368	R365-L370 HydrophobicContact CG-CD2 3.69Å; R365-L370 WeakPolarHBondContact O-CD2 3.49Å; S368-L370 PolarHBondContact O-N 3.26Å
371	P	32.2	Very low	55.3	Low	130 Å²	130	64.2 Å²	64.2	84%	0.844	39%	0.389	S	S	*	.			cis	-130.8	156.2	26	39.7	-24.5	0	0	0	116.3
372	C	32.3	Very low	54.8	Low	95 Å²	95	63.2 Å²	63.2	64%	0.642	38%	0.38	S	S	*	.			trans	-130.4	125.1	164.4	-174	0	0	0	0	110.4	S374	C372-S374 PolarHBondContact O-N 2.91Å
373	S	36.6	Very low	54.3	Low	126 Å²	126	63.2 Å²	63.2	88%	0.881	38%	0.38	S	S	*	.			trans	-90.3	87.8	-171	56.9	0	0	0	0	112.5
374	S	40.8	Very low	54.1	Low	56 Å²	56	62.6 Å²	62.6	39%	0.392	38%	0.377	S	S	.	.			trans	-147.1	127.2	165	55.2	0	0	0	0	111	C372 T376	C372-S374 PolarHBondContact O-N 2.91Å; S374-T376 PolarHBondContact O-N 2.72Å
375	P	44.1	Very low	54	Low	93 Å²	93	59.7 Å²	59.7	60%	0.604	36%	0.36	S	S	*	.			trans	-81.8	67.6	-176	33.9	-36.2	0	0	0	111.1	F377	P375-F377 PolarHBondContact O-N 2.85Å
376	T	49.1	Very low	54.4	Low	70 Å²	70	58.6 Å²	58.6	43%	0.429	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	3.1	-171.4	46.6	0	0	0	0	115.7	A361 S374	A361-T376 HydrophobicContact CB-CG2 4.39Å; S374-T376 PolarHBondContact O-N 2.72Å
377	F	54	Low	55	Low	18 Å²	18	62.5 Å²	62.5	8%	0.079	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.6	-15	-147.7	-125.7	-97.1	0	0	0	118.9	A194 I358 L362 P375 Y381	A194-F377 HydrophobicContact CB-CE1 4.1Å; A194-F377 HydrophobicContact CB-CZ 4.46Å; I358-F377 HydrophobicContact CB-CE2 3.89Å; I358-F377 HydrophobicContact CB-CZ 3.87Å; I358-F377 HydrophobicContact CG1-CD2 4.27Å; I358-F377 HydrophobicContact CG1-CE1 4.45Å; I358-F377 HydrophobicContact CG1-CE2 3.87Å; I358-F377 HydrophobicContact CG1-CZ 4Å; I358-F377 HydrophobicContact CG2-CE1 3.88Å; I358-F377 HydrophobicContact CG2-CE2 3.79Å; I358-F377 HydrophobicContact CG2-CZ 3.22Å; I358-F377 WeakPolarHBondContact O-CE2 3.38Å; L362-F377 HydrophobicContact CD1-CE1 4.2Å; L362-F377 HydrophobicContact CD1-CE2 4.07Å; L362-F377 HydrophobicContact CD1-CZ 3.43Å; L362-F377 VanDerWaalsContact CD1-CZ 3.43Å; L362-F377 HydrophobicContact CD2-CD2 4.05Å; L362-F377 HydrophobicContact CD2-CE1 4.35Å; L362-F377 HydrophobicContact CD2-CE2 3.43Å; L362-F377 VanDerWaalsContact CD2-CE2 3.43Å; L362-F377 HydrophobicContact CD2-CZ 3.57Å; L362-F377 HydrophobicContact CG-CD2 4.47Å; L362-F377 HydrophobicContact CG-CE1 4.4Å; L362-F377 HydrophobicContact CG-CE2 3.42Å; L362-F377 VanDerWaalsContact CG-CE2 3.42Å; L362-F377 HydrophobicContact CG-CZ 3.34Å; P375-F377 PolarHBondContact O-N 2.85Å; F377-Y381 HydrophobicContact CD1-CD2 4.27Å; F377-Y381 HydrophobicContact CE1-CD2 4.29Å; F377-Y381 HydrophobicContact CE1-CE2 4.34Å; F377-Y381 WeakPolarHBondContact O-CB 3.47Å
378	V	58.3	Low	55.8	Low	11 Å²	11	58.5 Å²	58.5	7%	0.067	35%	0.348	C	S	.	.	S	Bend	trans	-106.3	-43.8	-148.2	-141.3	0	0	0	0	114.2	D230 L231 L234 Y381 F382	D230-V378 HydrophobicContact CB-CG2 4.02Å; L231-V378 HydrophobicContact CD2-CG1 3.95Å; L234-V378 HydrophobicContact CB-CB 4Å; L234-V378 HydrophobicContact CB-CG1 3.51Å; L234-V378 HydrophobicContact CD1-CB 3.65Å; L234-V378 HydrophobicContact CD1-CG1 3.72Å; L234-V378 HydrophobicContact CD2-CG1 4.15Å; L234-V378 HydrophobicContact CG-CB 4.36Å; L234-V378 HydrophobicContact CG-CG1 3.96Å; V378-Y381 PolarHBondContact O-N 3.47Å; V378-F382 HydrophobicContact CG1-CD2 4.32Å; V378-F382 HydrophobicContact CG1-CE2 3.81Å; V378-F382 WeakPolarHBondContact O-CD2 3.36Å
379	E	57.9	Low	57.4	Low	51 Å²	51	59.2 Å²	59.2	24%	0.238	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-43.3	-168.6	-68.1	176.1	-141.5	0	0	113.6	L234 R237 Y381 V399 N400	L234-E379 HydrophobicContact CD1-CB 4.22Å; L234-E379 HydrophobicContact CD1-CG 3.51Å; R237-E379 IonicContact CZ-OE1 2.74Å; R237-E379 IonicContact NH1-OE1 3.46Å; R237-E379 PolarHBondContact NH1-OE1 3.43Å; R237-E379 IonicContact NH2-OE1 3.46Å; R237-E379 PolarHBondContact NH2-OE1 3.35Å; E379-Y381 PolarHBondContact O-N 3.49Å; E379-V399 WeakPolarHBondContact O-CB 3.47Å; E379-V399 PolarHBondContact O-N 3.46Å; E379-N400 WeakPolarHBondContact OE2-CB 3.05Å; E379-N400 PolarHBondContact OE2-ND2 3.26Å
380	E	58.5	Low	59.4	Low	91 Å²	91	52.1 Å²	52.1	43%	0.425	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-18.7	178.2	-59.6	-163.9	141.3	0	0	113.5	H354 S398	H354-E380 IonicContact CE1-OE1 3.25Å; H354-E380 PolarHBondContact CE1-OE1 3.23Å; H354-E380 IonicContact CE1-OE2 3.58Å; H354-E380 PolarHBondContact CE1-OE2 2.91Å; H354-E380 IonicContact CG-OE2 2.65Å; H354-E380 VanDerWaalsContact CG-OE2 3.28Å; H354-E380 IonicContact ND1-OE1 2.71Å; H354-E380 PolarHBondContact ND1-OE1 3.15Å; H354-E380 IonicContact ND1-OE2 3.33Å; H354-E380 PolarHBondContact ND1-OE2 2.93Å; E380-S398 WeakPolarHBondContact O-CB 3Å
381	Y	61.4	Low	61.6	Low	3 Å²	3	50.9 Å²	50.9	1%	0.012	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-45.7	-171.1	-154.4	-66.4	0	0	0	111.8	A194 L195 A196 R347 A348 R350 I358 F377 V378 E379	A194-Y381 VanDerWaalsContact O-CE2 3.25Å; A194-Y381 WeakPolarHBondContact O-CE2 3.15Å; A194-Y381 PolarHBondContact O-OH 3.35Å; L195-Y381 VanDerWaalsContact C-OH 3.23Å; L195-Y381 PolarHBondContact O-OH 3.46Å; A196-Y381 PolarHBondContact O-OH 3.43Å; R347-Y381 HydrophobicContact CB-CE1 4.06Å; R347-Y381 HydrophobicContact CG-CD1 4.21Å; R347-Y381 HydrophobicContact CG-CE1 3.7Å; R347-Y381 VanDerWaalsContact NH1-CZ 3.3Å; R347-Y381 PolarHBondContact NH1-OH 3.45Å; A348-Y381 PolarHBondContact N-O 2.96Å; A348-Y381 VanDerWaalsContact N-O 3.16Å; R350-Y381 PolarHBondContact NH1-OH 3.23Å; R350-Y381 PolarHBondContact NH2-OH 3.03Å; R350-Y381 VanDerWaalsContact NH2-OH 3.16Å; I358-Y381 HydrophobicContact CD1-CD2 4.29Å; F377-Y381 HydrophobicContact CD1-CD2 4.27Å; F377-Y381 HydrophobicContact CE1-CD2 4.29Å; F377-Y381 HydrophobicContact CE1-CE2 4.34Å; F377-Y381 WeakPolarHBondContact O-CB 3.47Å; V378-Y381 PolarHBondContact O-N 3.47Å; E379-Y381 PolarHBondContact O-N 3.49Å
382	F	66.9	Low	64	Low	4 Å²	4	46.9 Å²	46.9	2%	0.018	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-94	147.3	-172.2	-58.4	-67.8	0	0	0	112.2	L231 L234 W242 L247 V346 V378 S398 V399	L231-F382 HydrophobicContact CD2-CE2 3.46Å; L231-F382 VanDerWaalsContact CD2-CE2 3.46Å; L231-F382 HydrophobicContact CD2-CZ 3.42Å; L231-F382 VanDerWaalsContact CD2-CZ 3.42Å; L234-F382 HydrophobicContact CD2-CD2 4.21Å; W242-F382 HydrophobicContact CH2-CB 3.36Å; W242-F382 HydrophobicContact CH2-CG 4.01Å; W242-F382 HydrophobicContact CZ2-CB 4.45Å; W242-F382 HydrophobicContact CZ3-CB 3.53Å; W242-F382 HydrophobicContact CZ3-CD1 4.36Å; W242-F382 HydrophobicContact CZ3-CD2 4.05Å; W242-F382 AromaticContact CZ3-CG 3.69Å; W242-F382 HydrophobicContact CZ3-CG 3.69Å; L247-F382 HydrophobicContact CB-CE1 3.69Å; L247-F382 HydrophobicContact CB-CZ 3.86Å; L247-F382 HydrophobicContact CD1-CZ 4.45Å; L247-F382 HydrophobicContact CD2-CD1 4.03Å; L247-F382 HydrophobicContact CD2-CE1 3.94Å; L247-F382 HydrophobicContact CD2-CZ 4.5Å; L247-F382 HydrophobicContact CG-CE1 4.29Å; L247-F382 HydrophobicContact CG-CZ 4.49Å; L247-F382 WeakPolarHBondContact O-CE1 3.5Å; V346-F382 HydrophobicContact CG1-CD1 4.07Å; V346-F382 HydrophobicContact CG1-CE1 4.23Å; V346-F382 CarbonylContact O-C 3.56Å; V346-F382 VanDerWaalsContact O-CA 3.24Å; V346-F382 WeakPolarHBondContact O-CA 3.11Å; V346-F382 WeakPolarHBondContact O-CD1 3.26Å; V378-F382 HydrophobicContact CG1-CD2 4.32Å; V378-F382 HydrophobicContact CG1-CE2 3.81Å; V378-F382 WeakPolarHBondContact O-CD2 3.36Å; F382-S398 CarbonylContact O-C 3.6Å; F382-S398 WeakPolarHBondContact O-CA 3.1Å; F382-V399 HydrophobicContact CB-CG2 3.96Å; F382-V399 PolarHBondContact O-N 2.83Å
383	T	68.1	Low	66.1	Low	0 Å²	0	44.3 Å²	44.3	0%	0	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-74.7	141.5	174.3	-47.1	0	0	0	0	110.7	I344 V346 R347 A348 C395	I344-T383 WeakPolarHBondContact O-CB 3.44Å; I344-T383 VanDerWaalsContact O-CG2 3.29Å; I344-T383 WeakPolarHBondContact O-CG2 3.35Å; I344-T383 PolarHBondContact O-OG1 3.25Å; V346-T383 PolarHBondContact O-N 3Å; R347-T383 PolarHBondContact O-OG1 2.9Å; A348-T383 PolarHBondContact N-OG1 2.85Å; T383-C395 WeakPolarHBondContact CG2-O 3.37Å
384	C	73.4	Confident	68	Low	5 Å²	5	40.8 Å²	40.8	3%	0.034	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-46.8	138.2	174.3	-177.6	0	0	0	0	112.4	C386 R394 C395 L397 H408	C384-C386 VanDerWaalsContact C-N 3.26Å; C384-C386 PolarHBondContact O-N 2.85Å; C384-R394 PolarHBondContact O-NH2 2.93Å; C384-C395 HydrophobicContact CB-CB 3.85Å; C384-L397 VanDerWaalsContact CB-O 3.26Å; C384-L397 WeakPolarHBondContact CB-O 3.49Å; C384-L397 PolarHBondContact N-O 3.32Å; C384-H408 PolarHBondContact SG-CE1 2.94Å
385	P	72.8	Confident	69.8	Low	41 Å²	41	38.1 Å²	38.1	27%	0.266	22%	0.218	S	C	.	.			trans	-66.7	-29.7	179.2	29.8	-39.7	0	0	0	112.7	L240	L240-P385 HydrophobicContact CD2-CB 3.55Å; L240-P385 HydrophobicContact CD2-CG 3.32Å
386	C	75.5	Confident	71.3	Confident	19 Å²	19	34.8 Å²	34.8	13%	0.128	20%	0.197	C	C	.	.			trans	-62.3	138	-162.8	-68	0	0	0	0	112.2	C384 C395 H408	C384-C386 VanDerWaalsContact C-N 3.26Å; C384-C386 PolarHBondContact O-N 2.85Å; C386-C395 PolarHBondContact O-N 3.41Å; C386-H408 VanDerWaalsContact CB-CE1 3.47Å; C386-H408 WeakPolarHBondContact CB-CE1 3.32Å; C386-H408 PolarHBondContact SG-CE1 2.9Å; C386-H408 PolarHBondContact SG-NE2 2.81Å; C386-H408 VanDerWaalsContact SG-NE2 3.38Å
387	K	80	Confident	72.4	Confident	95 Å²	95	33.3 Å²	33.3	41%	0.413	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	-118.4	150.5	175.4	-52.1	-166.9	-177.4	177.4	0	109.8	I389 V393 R394 Q509	K387-I389 PolarHBondContact O-N 3Å; K387-V393 CarbonylContact C-O 3.59Å; K387-V393 VanDerWaalsContact CA-O 3.27Å; K387-V393 WeakPolarHBondContact CA-O 3.25Å; K387-R394 HydrophobicContact CD-CG 4.41Å; K387-R394 HydrophobicContact CG-CG 4.2Å; K387-Q509 PolarHBondContact O-N 2.95Å
388	C	81.9	Confident	73.2	Confident	2 Å²	2	34 Å²	34	1%	0.014	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-67.9	122.3	168.8	177.3	0	0	0	0	109.1	S390 C391 G392 V393 C423 H506 V507 W508	C388-S390 PolarHBondContact O-N 3.14Å; C388-C391 VanDerWaalsContact CB-SG 3.57Å; C388-C391 PolarHBondContact SG-SG 2.76Å; C388-G392 VanDerWaalsContact O-CA 3.26Å; C388-G392 WeakPolarHBondContact O-CA 3.34Å; C388-G392 PolarHBondContact O-N 3.23Å; C388-V393 HydrophobicContact CB-CG1 3.84Å; C388-V393 PolarHBondContact N-O 3.35Å; C388-C423 VanDerWaalsContact SG-SG 3.6Å; C388-H506 HydrophobicContact CB-CB 4.18Å; C388-V507 CarbonylContact C-O 3.57Å; C388-V507 WeakPolarHBondContact CA-O 3.22Å; C388-V507 PolarHBondContact SG-N 2.92Å; C388-W508 HydrophobicContact CB-CE3 4.24Å; C388-W508 HydrophobicContact CB-CZ3 4.17Å
389	I	84.5	Confident	73.6	Confident	85 Å²	85	33.9 Å²	33.9	44%	0.436	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-12.3	-178.2	54.6	170.6	0	0	0	113.7	K387 L429 V507 Q509	K387-I389 PolarHBondContact O-N 3Å; I389-L429 HydrophobicContact CD1-CD1 3.97Å; I389-L429 HydrophobicContact CD1-CD2 3.55Å; I389-L429 HydrophobicContact CD1-CG 4.42Å; I389-L429 HydrophobicContact CG1-CD1 3.75Å; I389-L429 HydrophobicContact CG1-CD2 4.3Å; I389-V507 HydrophobicContact CD1-CB 4.45Å; I389-V507 HydrophobicContact CD1-CG1 3.91Å; I389-V507 HydrophobicContact CG1-CB 3.93Å; I389-V507 HydrophobicContact CG1-CG1 3.92Å; I389-V507 WeakPolarHBondContact CG1-O 3.3Å; I389-V507 PolarHBondContact N-O 2.78Å; I389-Q509 HydrophobicContact CG2-CG 3.38Å
390	S	82.1	Confident	74	Confident	18 Å²	18	34.5 Å²	34.5	13%	0.126	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-39.3	176.5	177	0	0	0	0	113.6	C388 C423 R424	C388-S390 PolarHBondContact O-N 3.14Å; S390-C423 VanDerWaalsContact CB-SG 3.58Å; S390-R424 PolarHBondContact OG-O 3.26Å
391	C	83.4	Confident	74.5	Confident	56 Å²	56	30.7 Å²	30.7	38%	0.378	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124	-6.6	-172.7	75.9	0	0	0	0	115	C388 V393 H506	C388-C391 VanDerWaalsContact CB-SG 3.57Å; C388-C391 PolarHBondContact SG-SG 2.76Å; C391-V393 VanDerWaalsContact C-N 3.29Å; C391-V393 PolarHBondContact O-N 3.3Å; C391-V393 VanDerWaalsContact SG-CG1 3.6Å; C391-H506 PolarHBondContact SG-CE1 3.49Å; C391-H506 PolarHBondContact SG-ND1 3.13Å
392	G	81.5	Confident	74.9	Confident	45 Å²	45	33.8 Å²	33.8	46%	0.464	20%	0.199	S	C	.	.			trans	79.4	-7.3	178.3	0	0	0	0	0	116.4	C388	C388-G392 VanDerWaalsContact O-CA 3.26Å; C388-G392 WeakPolarHBondContact O-CA 3.34Å; C388-G392 PolarHBondContact O-N 3.23Å
393	V	77.2	Confident	74.8	Confident	41 Å²	41	36.6 Å²	36.6	25%	0.248	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-58.6	142.5	179.2	81.6	0	0	0	0	111	K387 C388 C391 A410 W508	K387-V393 CarbonylContact C-O 3.59Å; K387-V393 VanDerWaalsContact CA-O 3.27Å; K387-V393 WeakPolarHBondContact CA-O 3.25Å; C388-V393 HydrophobicContact CB-CG1 3.84Å; C388-V393 PolarHBondContact N-O 3.35Å; C391-V393 VanDerWaalsContact C-N 3.29Å; C391-V393 PolarHBondContact O-N 3.3Å; C391-V393 VanDerWaalsContact SG-CG1 3.6Å; V393-A410 HydrophobicContact CG1-CB 4.19Å; V393-W508 HydrophobicContact CG1-CH2 3.91Å; V393-W508 HydrophobicContact CG1-CZ3 4.34Å; V393-W508 WeakPolarHBondContact O-CZ3 3.42Å
394	R	77.1	Confident	74.5	Confident	52 Å²	52	42.6 Å²	42.6	20%	0.196	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-84.2	153.9	177.8	-58.1	-160.2	63.3	173.7	-19	111.1	S345 C384 K387	S345-R394 PolarHBondContact O-NH1 3.43Å; S345-R394 PolarHBondContact O-NH2 3.32Å; C384-R394 PolarHBondContact O-NH2 2.93Å; K387-R394 HydrophobicContact CD-CG 4.41Å; K387-R394 HydrophobicContact CG-CG 4.2Å
395	C	78.4	Confident	74	Confident	0 Å²	0	50 Å²	50	0%	0	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-65.2	138.9	166.4	-177.2	0	0	0	0	109.3	T383 C384 C386 H401 H408 K409 W508	T383-C395 WeakPolarHBondContact CG2-O 3.37Å; C384-C395 HydrophobicContact CB-CB 3.85Å; C386-C395 PolarHBondContact O-N 3.41Å; C395-H401 PolarHBondContact SG-NE2 3.3Å; C395-H408 HydrophobicContact CB-CB 4.3Å; C395-K409 CarbonylContact C-O 3.42Å; C395-K409 VanDerWaalsContact CA-O 3.25Å; C395-K409 WeakPolarHBondContact CA-O 3.38Å; C395-K409 PolarHBondContact SG-N 2.61Å; C395-K409 VanDerWaalsContact SG-N 3.43Å; C395-W508 HydrophobicContact CB-CE3 4.43Å; C395-W508 HydrophobicContact CB-CH2 4.32Å; C395-W508 HydrophobicContact CB-CZ3 3.99Å
396	C	75.4	Confident	73.7	Confident	23 Å²	23	50.7 Å²	50.7	16%	0.155	29%	0.293	C	S	.	.			trans	-92.3	-1.7	-177.5	68.1	0	0	0	0	114.7	I344 K409 A410	I344-C396 HydrophobicContact CD1-CB 4.04Å; C396-K409 PolarHBondContact N-O 3.36Å; C396-K409 PolarHBondContact SG-O 3.41Å; C396-K409 VanDerWaalsContact SG-O 3.34Å; C396-A410 PolarHBondContact SG-O 3.07Å
397	L	73	Confident	73.5	Confident	40 Å²	40	51.5 Å²	51.5	21%	0.209	31%	0.305	C	S	.	.	S	Bend	trans	-91.2	164.3	-178.4	-59	175.5	0	0	0	111.4	C384 H401 V406 K409	C384-L397 VanDerWaalsContact CB-O 3.26Å; C384-L397 WeakPolarHBondContact CB-O 3.49Å; C384-L397 PolarHBondContact N-O 3.32Å; L397-H401 HydrophobicContact CB-CB 3.95Å; L397-H401 WeakPolarHBondContact CB-CD2 3.46Å; L397-H401 HydrophobicContact CD1-CB 4.22Å; L397-V406 HydrophobicContact CD1-CG1 3.69Å; L397-K409 HydrophobicContact CD1-CB 4.25Å; L397-K409 HydrophobicContact CD1-CD 4.2Å; L397-K409 HydrophobicContact CD1-CG 4.09Å; L397-K409 HydrophobicContact CD2-CD 4.4Å; L397-K409 HydrophobicContact CG-CB 4.32Å
398	S	69.1	Low	73.4	Confident	33 Å²	33	48 Å²	48	23%	0.231	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-67.5	169.7	177.9	65.7	0	0	0	0	113.4	E380 F382 H401	E380-S398 WeakPolarHBondContact O-CB 3Å; F382-S398 CarbonylContact O-C 3.6Å; F382-S398 WeakPolarHBondContact O-CA 3.1Å; S398-H401 PolarHBondContact O-CD2 3.02Å
399	V	67.9	Low	73.1	Confident	7 Å²	7	53.5 Å²	53.5	4%	0.042	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	150.6	166.9	173	0	0	0	0	109.7	L234 T238 L240 W242 E379 F382 H401	L234-V399 HydrophobicContact CD1-CG1 4.35Å; T238-V399 HydrophobicContact CG2-CG1 3.81Å; L240-V399 HydrophobicContact CD1-CG1 4.01Å; L240-V399 HydrophobicContact CD1-CG2 3.79Å; W242-V399 HydrophobicContact CH2-CG2 3.71Å; W242-V399 HydrophobicContact CZ3-CG2 4.24Å; E379-V399 WeakPolarHBondContact O-CB 3.47Å; E379-V399 PolarHBondContact O-N 3.46Å; F382-V399 HydrophobicContact CB-CG2 3.96Å; F382-V399 PolarHBondContact O-N 2.83Å; V399-H401 PolarHBondContact O-N 3.19Å; V399-H401 VanDerWaalsContact O-N 3.1Å
400	N	65.8	Low	72.6	Confident	64 Å²	64	50.6 Å²	50.6	34%	0.342	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	10.7	179.3	-154	17.9	0	0	0	117.1	E379 T402 S403	E379-N400 WeakPolarHBondContact OE2-CB 3.05Å; E379-N400 PolarHBondContact OE2-ND2 3.26Å; N400-T402 PolarHBondContact O-N 3.43Å; N400-S403 WeakPolarHBondContact O-CB 3.5Å; N400-S403 PolarHBondContact O-N 3.12Å; N400-S403 PolarHBondContact O-OG 3.34Å; N400-S403 WeakPolarHBondContact OD1-CB 3.41Å; N400-S403 PolarHBondContact OD1-OG 2.79Å
401	H	68.6	Low	71.7	Confident	11 Å²	11	55.4 Å²	55.4	5%	0.051	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-56.1	-24.6	178.2	75.4	74.1	0	0	0	114.5	C395 L397 S398 V399 S403 N404 V406 H408	C395-H401 PolarHBondContact SG-NE2 3.3Å; L397-H401 HydrophobicContact CB-CB 3.95Å; L397-H401 WeakPolarHBondContact CB-CD2 3.46Å; L397-H401 HydrophobicContact CD1-CB 4.22Å; S398-H401 PolarHBondContact O-CD2 3.02Å; V399-H401 PolarHBondContact O-N 3.19Å; V399-H401 VanDerWaalsContact O-N 3.1Å; H401-S403 VanDerWaalsContact C-N 3.32Å; H401-S403 PolarHBondContact O-N 2.89Å; H401-N404 PolarHBondContact O-N 3.22Å; H401-V406 PolarHBondContact CE1-O 3.32Å; H401-V406 VanDerWaalsContact CE1-O 3.28Å; H401-V406 PolarHBondContact ND1-O 2.89Å; H401-V406 PolarHBondContact O-N 2.91Å; H401-H408 AromaticContact CE1-CE1 3.74Å; H401-H408 AromaticContact CE1-CG 3.77Å; H401-H408 AromaticContact CE1-ND1 3.12Å; H401-H408 PolarHBondContact CE1-ND1 3.15Å; H401-H408 AromaticContact NE2-CE1 3.46Å; H401-H408 PolarHBondContact NE2-CE1 3.11Å; H401-H408 AromaticContact NE2-CG 3.84Å; H401-H408 AromaticContact NE2-ND1 2.83Å; H401-H408 PolarHBondContact NE2-ND1 2.93Å
402	T	69.6	Low	70.2	Confident	68 Å²	68	60.2 Å²	60.2	42%	0.417	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-68	-26.1	177.3	43.3	0	0	0	0	113.3	N400 N404 N405	N400-T402 PolarHBondContact O-N 3.43Å; T402-N404 PolarHBondContact O-N 3.42Å; T402-N405 PolarHBondContact O-N 2.94Å; T402-N405 VanDerWaalsContact O-N 3.1Å
403	S	65.9	Low	68.3	Low	64 Å²	64	63.4 Å²	63.4	45%	0.448	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-61.5	-32.7	174.5	61.6	0	0	0	0	112.5	N400 H401 N405	N400-S403 WeakPolarHBondContact O-CB 3.5Å; N400-S403 PolarHBondContact O-N 3.12Å; N400-S403 PolarHBondContact O-OG 3.34Å; N400-S403 WeakPolarHBondContact OD1-CB 3.41Å; N400-S403 PolarHBondContact OD1-OG 2.79Å; H401-S403 VanDerWaalsContact C-N 3.32Å; H401-S403 PolarHBondContact O-N 2.89Å; S403-N405 PolarHBondContact O-N 3.48Å
404	N	61	Low	66.3	Low	126 Å²	126	63.9 Å²	63.9	67%	0.674	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-85.5	18.9	177.2	-66	-22.7	0	0	0	112.8	H401 T402 V406	H401-N404 PolarHBondContact O-N 3.22Å; T402-N404 PolarHBondContact O-N 3.42Å; N404-V406 HydrophobicContact CB-CG2 4.3Å; N404-V406 PolarHBondContact O-N 2.83Å; N404-V406 VanDerWaalsContact O-N 3.07Å
405	N	62.3	Low	64.5	Low	160 Å²	160	67.1 Å²	67.1	86%	0.856	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	18.2	-174.3	-65.9	-60.7	0	0	0	115.2	T402 S403 G407	T402-N405 PolarHBondContact O-N 2.94Å; T402-N405 VanDerWaalsContact O-N 3.1Å; S403-N405 PolarHBondContact O-N 3.48Å; N405-G407 PolarHBondContact O-N 3.5Å
406	V	67.4	Low	62.3	Low	55 Å²	55	74.2 Å²	74.2	33%	0.333	43%	0.426	S	S	.	.			trans	-84.4	112.8	173.3	-172.5	0	0	0	0	108.3	L397 H401 N404	L397-V406 HydrophobicContact CD1-CG1 3.69Å; H401-V406 PolarHBondContact CE1-O 3.32Å; H401-V406 VanDerWaalsContact CE1-O 3.28Å; H401-V406 PolarHBondContact ND1-O 2.89Å; H401-V406 PolarHBondContact O-N 2.91Å; N404-V406 HydrophobicContact CB-CG2 4.3Å; N404-V406 PolarHBondContact O-N 2.83Å; N404-V406 VanDerWaalsContact O-N 3.07Å
407	G	71.5	Confident	60.2	Low	36 Å²	36	76.1 Å²	76.1	37%	0.371	45%	0.45	S	S	.	.			trans	-66.2	159.1	174	0	0	0	0	0	113.1	N405 E511	N405-G407 PolarHBondContact O-N 3.5Å; G407-E511 WeakPolarHBondContact CA-OE1 3.36Å
408	H	77.7	Confident	58.3	Low	23 Å²	23	80.8 Å²	80.8	11%	0.106	48%	0.48	C	S	.	.			trans	-60.8	140.9	-178.4	-65.7	-60.9	0	0	0	112.7	C384 C386 C395 H401 W508 E511	C384-H408 PolarHBondContact SG-CE1 2.94Å; C386-H408 VanDerWaalsContact CB-CE1 3.47Å; C386-H408 WeakPolarHBondContact CB-CE1 3.32Å; C386-H408 PolarHBondContact SG-CE1 2.9Å; C386-H408 PolarHBondContact SG-NE2 2.81Å; C386-H408 VanDerWaalsContact SG-NE2 3.38Å; C395-H408 HydrophobicContact CB-CB 4.3Å; H401-H408 AromaticContact CE1-CE1 3.74Å; H401-H408 AromaticContact CE1-CG 3.77Å; H401-H408 AromaticContact CE1-ND1 3.12Å; H401-H408 PolarHBondContact CE1-ND1 3.15Å; H401-H408 AromaticContact NE2-CE1 3.46Å; H401-H408 PolarHBondContact NE2-CE1 3.11Å; H401-H408 AromaticContact NE2-CG 3.84Å; H401-H408 AromaticContact NE2-ND1 2.83Å; H401-H408 PolarHBondContact NE2-ND1 2.93Å; H408-W508 HydrophobicContact CB-CB 4.08Å; H408-W508 HydrophobicContact CB-CD2 3.43Å; H408-W508 VanDerWaalsContact CB-CD2 3.43Å; H408-W508 HydrophobicContact CB-CE3 4.05Å; H408-W508 HydrophobicContact CB-CG 3.43Å; H408-W508 VanDerWaalsContact CB-CG 3.43Å; H408-W508 HydrophobicContact CB-CZ2 4.22Å; H408-W508 WeakPolarHBondContact CD2-CB 3.47Å; H408-W508 AromaticContact CD2-CG 3.76Å; H408-W508 AromaticContact CG-CG 3.9Å; H408-W508 PolarHBondContact O-NE1 2.85Å; H408-E511 IonicContact CD2-OE1 3.68Å; H408-E511 PolarHBondContact CD2-OE1 3.26Å; H408-E511 IonicContact CD2-OE2 3.74Å; H408-E511 IonicContact CG-OE1 2.75Å; H408-E511 PolarHBondContact N-OE1 3.36Å
409	K	76.5	Confident	57	Low	117 Å²	117	83.8 Å²	83.8	51%	0.509	50%	0.501	S	S	.	.			trans	-127.2	142.2	-177.4	-66.2	-178.7	-173.9	175.5	0	112.3	C395 C396 L397	C395-K409 CarbonylContact C-O 3.42Å; C395-K409 VanDerWaalsContact CA-O 3.25Å; C395-K409 WeakPolarHBondContact CA-O 3.38Å; C395-K409 PolarHBondContact SG-N 2.61Å; C395-K409 VanDerWaalsContact SG-N 3.43Å; C396-K409 PolarHBondContact N-O 3.36Å; C396-K409 PolarHBondContact SG-O 3.41Å; C396-K409 VanDerWaalsContact SG-O 3.34Å; L397-K409 HydrophobicContact CD1-CB 4.25Å; L397-K409 HydrophobicContact CD1-CD 4.2Å; L397-K409 HydrophobicContact CD1-CG 4.09Å; L397-K409 HydrophobicContact CD2-CD 4.4Å; L397-K409 HydrophobicContact CG-CB 4.32Å
410	A	72.8	Confident	56.3	Low	23 Å²	23	89.1 Å²	89.1	19%	0.19	53%	0.534	C	S	.	.			trans	-82.8	-174	163.8	0	0	0	0	0	110.5	V393 C396 W508	V393-A410 HydrophobicContact CG1-CB 4.19Å; C396-A410 PolarHBondContact SG-O 3.07Å; A410-W508 HydrophobicContact CB-CH2 4.35Å; A410-W508 HydrophobicContact CB-CZ2 4.32Å
411	E	63.4	Low	56	Low	119 Å²	119	88.3 Å²	88.3	56%	0.556	53%	0.533	S	S	*	.	S	Bend	trans	-58.4	154.1	-162.5	-160.4	165.7	-166.5	0	0	116.3
412	Y	52.2	Low	56	Low	158 Å²	158	93.1 Å²	93.1	62%	0.62	57%	0.565	S	S	*	*			trans	-81.4	159.9	-163	-165.2	-94.9	0	0	0	114.1	G414	Y412-G414 PolarHBondContact O-N 3.05Å
413	V	42.4	Very low	56.5	Low	112 Å²	112	90.2 Å²	90.2	68%	0.679	55%	0.547	S	S	*	.			trans	-74.5	108.7	179.6	179.9	0	0	0	0	110.7
414	G	35.1	Very low	57.3	Low	51 Å²	51	95.2 Å²	95.2	53%	0.526	56%	0.556	S	S	.	*			trans	-70.7	153.4	162.6	0	0	0	0	0	111.6	Y412 N416 G417	Y412-G414 PolarHBondContact O-N 3.05Å; G414-N416 PolarHBondContact O-N 3.36Å; G414-G417 PolarHBondContact O-N 2.8Å; G414-G417 VanDerWaalsContact O-N 3.16Å
415	S	37.6	Very low	58.3	Low	119 Å²	119	92.6 Å²	92.6	83%	0.832	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-10.2	-174.6	55.4	0	0	0	0	116
416	N	34.2	Very low	59	Low	149 Å²	149	87.1 Å²	87.1	80%	0.797	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	13.9	-174.8	-58.1	8.9	0	0	0	112.7	G414 V418	G414-N416 PolarHBondContact O-N 3.36Å; N416-V418 PolarHBondContact O-N 2.85Å
417	G	30.9	Very low	59.1	Low	64 Å²	64	88.1 Å²	88.1	66%	0.66	51%	0.514	S	S	*	.	S	Bend	trans	80.1	-7.8	158.4	0	0	0	0	0	118.5	G414	G414-G417 PolarHBondContact O-N 2.8Å; G414-G417 VanDerWaalsContact O-N 3.16Å
418	V	32.8	Very low	59	Low	137 Å²	137	92 Å²	92	83%	0.83	53%	0.531	S	S	*	.			trans	-137.8	114.4	-179	-175.4	0	0	0	0	112.2	N416	N416-V418 PolarHBondContact O-N 2.85Å
419	S	42	Very low	58.6	Low	97 Å²	97	92.5 Å²	92.5	68%	0.678	53%	0.534	S	S	*	.			trans	169.8	61.4	134.6	-177.4	0	0	0	0	112.2	S421	S419-S421 PolarHBondContact O-N 3.3Å
420	T	53.6	Low	58.3	Low	119 Å²	119	89.4 Å²	89.4	73%	0.73	52%	0.522	S	S	*	.			trans	-65.9	114.4	155.7	48.7	0	0	0	0	107.9	P422	T420-P422 VanDerWaalsContact O-CD 3.3Å; T420-P422 WeakPolarHBondContact O-CD 3.47Å
421	S	58	Low	58.5	Low	47 Å²	47	88.3 Å²	88.3	33%	0.329	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-64.4	116.7	174	47.8	0	0	0	0	109.3	S419 H506	S419-S421 PolarHBondContact O-N 3.3Å; S421-H506 PolarHBondContact O-NE2 2.61Å
422	P	69.6	Low	59.3	Low	112 Å²	112	84 Å²	84	73%	0.727	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-67.2	140.1	-179.6	28.2	-33.8	0	0	0	109.1	T420	T420-P422 VanDerWaalsContact O-CD 3.3Å; T420-P422 WeakPolarHBondContact O-CD 3.47Å
423	C	80.9	Confident	60.7	Low	6 Å²	6	77 Å²	77	4%	0.041	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-69.8	150.6	174.6	-166.5	0	0	0	0	110.2	C388 S390 I504 V505	C388-C423 VanDerWaalsContact SG-SG 3.6Å; S390-C423 VanDerWaalsContact CB-SG 3.58Å; C423-I504 HydrophobicContact CB-CG2 4.18Å; C423-I504 VanDerWaalsContact O-CG2 3.29Å; C423-I504 WeakPolarHBondContact O-CG2 3.4Å; C423-V505 WeakPolarHBondContact CB-O 3.5Å; C423-V505 PolarHBondContact SG-O 3.31Å
424	R	82.8	Confident	62.8	Low	169 Å²	169	72.8 Å²	72.8	64%	0.638	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-62.4	142.7	164.8	174.1	172.5	170.3	164.5	-3.9	108.8	S390 N431 I504	S390-R424 PolarHBondContact OG-O 3.26Å; R424-N431 PolarHBondContact O-ND2 3.31Å; R424-I504 WeakPolarHBondContact O-CG2 3.32Å
425	Y	81.9	Confident	65.4	Low	72 Å²	72	71 Å²	71	28%	0.282	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-80.3	131.6	166.2	175.9	-113	0	0	0	109.2	P427 N431 K432	Y425-P427 HydrophobicContact CD1-CG 4.41Å; Y425-P427 HydrophobicContact CE1-CB 4.48Å; Y425-P427 HydrophobicContact CE1-CG 3.91Å; Y425-N431 WeakPolarHBondContact CA-OD1 3.45Å; Y425-N431 WeakPolarHBondContact CD2-OD1 3.25Å; Y425-K432 HydrophobicContact CD2-CB 4.02Å; Y425-K432 HydrophobicContact CE2-CB 3.81Å
426	E	75.7	Confident	67.9	Low	44 Å²	44	65.3 Å²	65.3	21%	0.206	38%	0.375	C	S	.	.			trans	-129.1	108.4	-178.3	179.2	44.3	-119.3	0	0	109.3	T428 L429 Q430 N431	E426-T428 WeakPolarHBondContact CG-OG1 3.46Å; E426-T428 PolarHBondContact O-N 2.92Å; E426-T428 VanDerWaalsContact O-N 3.15Å; E426-T428 PolarHBondContact OE1-N 3.49Å; E426-T428 PolarHBondContact OE1-OG1 2.78Å; E426-L429 HydrophobicContact CB-CB 4.24Å; E426-L429 HydrophobicContact CB-CD1 4.03Å; E426-L429 HydrophobicContact CB-CG 4.23Å; E426-L429 HydrophobicContact CG-CB 4.23Å; E426-L429 HydrophobicContact CG-CD1 3.78Å; E426-L429 HydrophobicContact CG-CG 3.78Å; E426-L429 PolarHBondContact O-N 3.01Å; E426-Q430 PolarHBondContact O-N 3.48Å; E426-Q430 VanDerWaalsContact O-N 3.12Å; E426-N431 PolarHBondContact N-OD1 2.98Å
427	P	70.7	Confident	70.7	Confident	76 Å²	76	62.9 Å²	62.9	49%	0.494	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-28.6	-174.6	-26.4	34.5	0	0	0	114.4	Y425 L429 Q430	Y425-P427 HydrophobicContact CD1-CG 4.41Å; Y425-P427 HydrophobicContact CE1-CB 4.48Å; Y425-P427 HydrophobicContact CE1-CG 3.91Å; P427-L429 PolarHBondContact O-N 3.42Å; P427-Q430 PolarHBondContact O-NE2 2.85Å
428	T	68.3	Low	73.5	Confident	117 Å²	117	63.5 Å²	63.5	72%	0.718	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-14.7	175.7	57.4	0	0	0	0	113.6	E426	E426-T428 WeakPolarHBondContact CG-OG1 3.46Å; E426-T428 PolarHBondContact O-N 2.92Å; E426-T428 VanDerWaalsContact O-N 3.15Å; E426-T428 PolarHBondContact OE1-N 3.49Å; E426-T428 PolarHBondContact OE1-OG1 2.78Å
429	L	70.1	Confident	76.2	Confident	35 Å²	35	57 Å²	57	18%	0.183	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-10.9	-178.9	-60.3	178.4	0	0	0	113.7	I389 E426 P427 N431 V507	I389-L429 HydrophobicContact CD1-CD1 3.97Å; I389-L429 HydrophobicContact CD1-CD2 3.55Å; I389-L429 HydrophobicContact CD1-CG 4.42Å; I389-L429 HydrophobicContact CG1-CD1 3.75Å; I389-L429 HydrophobicContact CG1-CD2 4.3Å; E426-L429 HydrophobicContact CB-CB 4.24Å; E426-L429 HydrophobicContact CB-CD1 4.03Å; E426-L429 HydrophobicContact CB-CG 4.23Å; E426-L429 HydrophobicContact CG-CB 4.23Å; E426-L429 HydrophobicContact CG-CD1 3.78Å; E426-L429 HydrophobicContact CG-CG 3.78Å; E426-L429 PolarHBondContact O-N 3.01Å; P427-L429 PolarHBondContact O-N 3.42Å; L429-N431 HydrophobicContact CB-CB 4.46Å; L429-N431 PolarHBondContact O-N 2.91Å; L429-N431 VanDerWaalsContact O-N 3.1Å; L429-V507 HydrophobicContact CB-CG2 4.47Å
430	Q	69.4	Low	78.4	Confident	52 Å²	52	56.3 Å²	56.3	24%	0.243	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	36.6	-179.9	-65.7	-63.6	-46.9	0	0	113.6	E426 P427 K432	E426-Q430 PolarHBondContact O-N 3.48Å; E426-Q430 VanDerWaalsContact O-N 3.12Å; P427-Q430 PolarHBondContact O-NE2 2.85Å; Q430-K432 PolarHBondContact O-N 3.42Å
431	N	76.9	Confident	80.1	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.289	C	S	.	.			trans	-79.5	38.9	-168.6	71.8	-45.4	0	0	0	114.9	R424 Y425 E426 L429 I504 V505 V507	R424-N431 PolarHBondContact O-ND2 3.31Å; Y425-N431 WeakPolarHBondContact CA-OD1 3.45Å; Y425-N431 WeakPolarHBondContact CD2-OD1 3.25Å; E426-N431 PolarHBondContact N-OD1 2.98Å; L429-N431 HydrophobicContact CB-CB 4.46Å; L429-N431 PolarHBondContact O-N 2.91Å; L429-N431 VanDerWaalsContact O-N 3.1Å; N431-I504 WeakPolarHBondContact ND2-CG2 3.48Å; N431-I504 WeakPolarHBondContact O-CA 3.35Å; N431-V505 PolarHBondContact ND2-O 3.41Å; N431-V505 PolarHBondContact O-N 3.45Å; N431-V507 HydrophobicContact CB-CG2 3.25Å
432	K	80.9	Confident	81.5	Confident	28 Å²	28	61.3 Å²	61.3	12%	0.122	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	117.3	-179.4	-177.1	-169.9	-63.5	159	0	108.5	Y425 Q430 Y434 E495 W502 E503	Y425-K432 HydrophobicContact CD2-CB 4.02Å; Y425-K432 HydrophobicContact CE2-CB 3.81Å; Q430-K432 PolarHBondContact O-N 3.42Å; K432-Y434 HydrophobicContact CD-CE1 4.02Å; K432-Y434 HydrophobicContact CG-CE1 4.45Å; K432-E495 HydrophobicContact CD-CG 4.17Å; K432-E495 WeakPolarHBondContact CD-OE1 3.18Å; K432-E495 WeakPolarHBondContact CE-OE1 3.42Å; K432-E495 IonicContact NZ-OE1 2.66Å; K432-E495 PolarHBondContact NZ-OE1 3.44Å; K432-W502 HydrophobicContact CD-CE3 4.42Å; K432-W502 HydrophobicContact CG-CE3 4.25Å; K432-E503 WeakPolarHBondContact CA-O 3.46Å
433	L	82.1	Confident	82.1	Confident	12 Å²	12	59.3 Å²	59.3	6%	0.063	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	138.4	178.5	-56.7	-174	0	0	0	110.1	F435 M447 W502 E503 V505 I514 L515 T518	L433-F435 HydrophobicContact CB-CE2 3.71Å; L433-F435 HydrophobicContact CB-CZ 3.93Å; L433-F435 HydrophobicContact CD1-CZ 4.19Å; L433-M447 HydrophobicContact CD1-SD 4Å; L433-M447 HydrophobicContact CD2-SD 4.13Å; L433-M447 HydrophobicContact CG-SD 4.45Å; L433-W502 WeakPolarHBondContact O-CA 3.49Å; L433-E503 PolarHBondContact N-O 3.44Å; L433-E503 PolarHBondContact O-N 3.23Å; L433-V505 HydrophobicContact CD1-CB 4.47Å; L433-V505 HydrophobicContact CD1-CG1 3.65Å; L433-V505 HydrophobicContact CD1-CG2 4.07Å; L433-V505 HydrophobicContact CD2-CG2 4.39Å; L433-V505 HydrophobicContact CG-CG1 3.93Å; L433-V505 HydrophobicContact CG-CG2 3.9Å; L433-I514 HydrophobicContact CD1-CG2 4.15Å; L433-I514 HydrophobicContact CD2-CG2 4.34Å; L433-L515 HydrophobicContact CD2-CD2 4.08Å; L433-T518 HydrophobicContact CD2-CG2 3.8Å
434	Y	86.5	Confident	82.2	Confident	22 Å²	22	63.8 Å²	63.8	9%	0.086	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	144.8	173.8	-54.2	-75.4	0	0	0	110.6	K432 M447 M448 L473 P494 E495 V500 H501 W502	K432-Y434 HydrophobicContact CD-CE1 4.02Å; K432-Y434 HydrophobicContact CG-CE1 4.45Å; Y434-M447 CarbonylContact O-C 3.53Å; Y434-M447 WeakPolarHBondContact O-CA 3.17Å; Y434-M448 PolarHBondContact O-N 3.44Å; Y434-L473 HydrophobicContact CD1-CD1 4.36Å; Y434-L473 HydrophobicContact CD2-CD1 4.19Å; Y434-L473 HydrophobicContact CD2-CD2 4.16Å; Y434-L473 HydrophobicContact CG-CD1 3.9Å; Y434-P494 HydrophobicContact CD1-CB 4.22Å; Y434-P494 HydrophobicContact CD1-CG 4.41Å; Y434-P494 HydrophobicContact CE1-CB 3.89Å; Y434-P494 HydrophobicContact CE1-CG 3.62Å; Y434-E495 HydrophobicContact CE1-CG 4.39Å; Y434-E495 PolarHBondContact OH-OE1 3.2Å; Y434-V500 HydrophobicContact CD1-CG1 3.83Å; Y434-V500 HydrophobicContact CG-CG1 4.46Å; Y434-H501 CarbonylContact C-O 3.59Å; Y434-H501 WeakPolarHBondContact CA-O 3.03Å; Y434-W502 HydrophobicContact CD1-CB 3.99Å; Y434-W502 HydrophobicContact CE1-CB 4.39Å
435	F	88.3	Confident	82.1	Confident	13 Å²	13	61 Å²	61	6%	0.057	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	148.4	-178.9	-61.7	-86.6	0	0	0	110.4	L433 K437 K445 T446 M447 M448 H501 E503	L433-F435 HydrophobicContact CB-CE2 3.71Å; L433-F435 HydrophobicContact CB-CZ 3.93Å; L433-F435 HydrophobicContact CD1-CZ 4.19Å; F435-K437 PolarHBondContact O-N 3.21Å; F435-K445 HydrophobicContact CD1-CB 3.96Å; F435-K445 HydrophobicContact CE1-CB 3.9Å; F435-K445 HydrophobicContact CE1-CD 4.41Å; F435-T446 WeakPolarHBondContact CA-O 3.04Å; F435-M447 HydrophobicContact CD1-CB 4.09Å; F435-M447 HydrophobicContact CE1-CB 3.91Å; F435-M447 HydrophobicContact CE1-CG 4.38Å; F435-M448 VanDerWaalsContact C-CE 3.48Å; F435-M448 VanDerWaalsContact O-CE 3.31Å; F435-M448 WeakPolarHBondContact O-CE 3.34Å; F435-H501 HydrophobicContact CB-CB 4.3Å; F435-H501 PolarHBondContact N-O 2.79Å; F435-H501 PolarHBondContact O-N 3.27Å; F435-E503 HydrophobicContact CD2-CG 4.33Å; F435-E503 HydrophobicContact CE2-CB 4.07Å; F435-E503 HydrophobicContact CE2-CG 4.01Å
436	C	91.1	Very high	82.1	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	115.1	172.7	-178.6	0	0	0	0	109.8	L438 C439 Y440 T446 M448 C475 H478	C436-L438 VanDerWaalsContact C-N 3.29Å; C436-L438 PolarHBondContact O-N 3.43Å; C436-C439 HydrophobicContact CB-CB 4.08Å; C436-C439 WeakPolarHBondContact O-CB 3.11Å; C436-C439 PolarHBondContact O-N 2.82Å; C436-C439 VanDerWaalsContact O-N 3.07Å; C436-Y440 PolarHBondContact O-N 3.38Å; C436-T446 PolarHBondContact N-O 2.91Å; C436-M448 HydrophobicContact CB-CG 4.15Å; C436-M448 HydrophobicContact CB-SD 3.66Å; C436-C475 HydrophobicContact CB-CB 3.81Å; C436-C475 WeakPolarHBondContact CB-SG 3.5Å; C436-H478 PolarHBondContact SG-ND1 2.92Å
437	K	92.2	Very high	82.4	Confident	99 Å²	99	60.3 Å²	60.3	43%	0.43	32%	0.322	S	S	.	.	H	α-helix	trans	-63.1	-32.6	-174.9	-166.4	-177.4	-169.9	167.4	0	113.4	F435 Y440 A441 P498 Q499 H501	F435-K437 PolarHBondContact O-N 3.21Å; K437-Y440 WeakPolarHBondContact O-CB 3.25Å; K437-Y440 PolarHBondContact O-N 3.16Å; K437-A441 WeakPolarHBondContact O-CB 3.35Å; K437-A441 PolarHBondContact O-N 3.41Å; K437-P498 WeakPolarHBondContact CD-O 3.46Å; K437-P498 WeakPolarHBondContact CE-O 3.45Å; K437-P498 PolarHBondContact NZ-O 2.91Å; K437-Q499 WeakPolarHBondContact CB-O 3.31Å; K437-Q499 PolarHBondContact N-O 2.67Å; K437-H501 HydrophobicContact CB-CB 4.21Å; K437-H501 HydrophobicContact CG-CB 4.32Å
438	L	90.6	Very high	83	Confident	76 Å²	76	56.7 Å²	56.7	40%	0.398	30%	0.298	S	S	.	.	H	α-helix	trans	-62.7	-47.5	172.3	-68.2	174.1	0	0	0	111.1	C436 Y440 A441 Y442 H478	C436-L438 VanDerWaalsContact C-N 3.29Å; C436-L438 PolarHBondContact O-N 3.43Å; L438-Y440 VanDerWaalsContact C-N 3.29Å; L438-Y440 PolarHBondContact O-N 3.46Å; L438-A441 PolarHBondContact O-N 2.8Å; L438-Y442 WeakPolarHBondContact O-CD2 3.4Å; L438-Y442 PolarHBondContact O-N 3.47Å; L438-H478 VanDerWaalsContact CB-CE1 3.48Å; L438-H478 WeakPolarHBondContact CB-CE1 3.45Å
439	C	89.9	Confident	83.3	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.007	28%	0.277	C	S	.	.	H	α-helix	trans	-61.5	-40.9	174.8	-63.4	0	0	0	0	111.4	C436 A441 Y442 G443 Q444 T446 R477 H478	C436-C439 HydrophobicContact CB-CB 4.08Å; C436-C439 WeakPolarHBondContact O-CB 3.11Å; C436-C439 PolarHBondContact O-N 2.82Å; C436-C439 VanDerWaalsContact O-N 3.07Å; C439-A441 VanDerWaalsContact C-N 3.34Å; C439-A441 PolarHBondContact O-N 3.28Å; C439-Y442 CarbonylContact O-C 3.57Å; C439-Y442 PolarHBondContact O-N 2.88Å; C439-Y442 VanDerWaalsContact O-N 3.16Å; C439-G443 PolarHBondContact O-N 3.37Å; C439-Q444 CarbonylContact C-O 3.56Å; C439-Q444 VanDerWaalsContact CB-O 3.26Å; C439-Q444 WeakPolarHBondContact CB-O 3.28Å; C439-Q444 WeakPolarHBondContact O-CA 3.2Å; C439-Q444 PolarHBondContact O-N 3.32Å; C439-Q444 VanDerWaalsContact O-O 3.07Å; C439-T446 WeakPolarHBondContact CB-OG1 3.05Å; C439-T446 PolarHBondContact SG-OG1 3.03Å; C439-R477 PolarHBondContact SG-NH2 2.82Å; C439-H478 PolarHBondContact SG-CE1 2.9Å
440	Y	87.8	Confident	83.3	Confident	83 Å²	83	52.2 Å²	52.2	33%	0.325	27%	0.272	S	S	.	.	H	α-helix	trans	-61.5	-40.8	179.1	-161.2	-80.5	0	0	0	112.1	C436 K437 L438 Y442 G443 Q444 K445 H501 E503	C436-Y440 PolarHBondContact O-N 3.38Å; K437-Y440 WeakPolarHBondContact O-CB 3.25Å; K437-Y440 PolarHBondContact O-N 3.16Å; L438-Y440 VanDerWaalsContact C-N 3.29Å; L438-Y440 PolarHBondContact O-N 3.46Å; Y440-Y442 VanDerWaalsContact C-N 3.31Å; Y440-Y442 PolarHBondContact O-N 3.33Å; Y440-G443 PolarHBondContact O-N 2.92Å; Y440-Q444 PolarHBondContact N-O 3.3Å; Y440-K445 HydrophobicContact CD2-CD 4.43Å; Y440-K445 HydrophobicContact CD2-CG 4.04Å; Y440-K445 HydrophobicContact CE2-CD 3.76Å; Y440-K445 HydrophobicContact CE2-CG 3.8Å; Y440-K445 PolarHBondContact OH-NZ 3.12Å; Y440-H501 AromaticContact CD2-CD2 3.37Å; Y440-H501 WeakPolarHBondContact CD2-CD2 3.08Å; Y440-H501 AromaticContact CD2-NE2 3.83Å; Y440-H501 AromaticContact CE2-CD2 3.38Å; Y440-H501 WeakPolarHBondContact CE2-CD2 3.29Å; Y440-H501 AromaticContact CE2-NE2 3.34Å; Y440-H501 VanDerWaalsContact CE2-NE2 3.34Å; Y440-H501 WeakPolarHBondContact CE2-NE2 3.29Å; Y440-H501 AromaticContact CG-CD2 3.92Å; Y440-H501 AromaticContact CZ-CD2 3.96Å; Y440-H501 AromaticContact CZ-NE2 3.52Å; Y440-E503 VanDerWaalsContact CE2-OE1 3.25Å; Y440-E503 WeakPolarHBondContact CE2-OE1 3.45Å; Y440-E503 PolarHBondContact OH-OE1 2.77Å
441	A	87.8	Confident	83	Confident	86 Å²	86	53.8 Å²	53.8	71%	0.711	28%	0.278	S	S	*	.	H	α-helix	trans	-64.1	-33.1	175.2	0	0	0	0	0	112.9	K437 L438 C439 G443	K437-A441 WeakPolarHBondContact O-CB 3.35Å; K437-A441 PolarHBondContact O-N 3.41Å; L438-A441 PolarHBondContact O-N 2.8Å; C439-A441 VanDerWaalsContact C-N 3.34Å; C439-A441 PolarHBondContact O-N 3.28Å; A441-G443 PolarHBondContact O-N 3.07Å
442	Y	88.6	Confident	82	Confident	185 Å²	185	55.7 Å²	55.7	73%	0.725	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	19.6	169.6	-63.5	-64.9	0	0	0	113.6	L438 C439 Y440 Q444	L438-Y442 WeakPolarHBondContact O-CD2 3.4Å; L438-Y442 PolarHBondContact O-N 3.47Å; C439-Y442 CarbonylContact O-C 3.57Å; C439-Y442 PolarHBondContact O-N 2.88Å; C439-Y442 VanDerWaalsContact O-N 3.16Å; Y440-Y442 VanDerWaalsContact C-N 3.31Å; Y440-Y442 PolarHBondContact O-N 3.33Å; Y442-Q444 VanDerWaalsContact C-N 3.32Å; Y442-Q444 PolarHBondContact O-N 3.25Å
443	G	82.6	Confident	80.5	Confident	69 Å²	69	55.5 Å²	55.5	71%	0.711	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	11	175.9	0	0	0	0	0	115.5	C439 Y440 A441	C439-G443 PolarHBondContact O-N 3.37Å; Y440-G443 PolarHBondContact O-N 2.92Å; A441-G443 PolarHBondContact O-N 3.07Å
444	Q	82	Confident	79	Confident	100 Å²	100	59.8 Å²	59.8	47%	0.467	32%	0.317	S	S	.	.			trans	-117.1	112.9	-175.6	-62.8	-162.7	1.1	0	0	112.7	C439 Y440 Y442 T446 R477	C439-Q444 CarbonylContact C-O 3.56Å; C439-Q444 VanDerWaalsContact CB-O 3.26Å; C439-Q444 WeakPolarHBondContact CB-O 3.28Å; C439-Q444 WeakPolarHBondContact O-CA 3.2Å; C439-Q444 PolarHBondContact O-N 3.32Å; C439-Q444 VanDerWaalsContact O-O 3.07Å; Y440-Q444 PolarHBondContact N-O 3.3Å; Y442-Q444 VanDerWaalsContact C-N 3.32Å; Y442-Q444 PolarHBondContact O-N 3.25Å; Q444-T446 PolarHBondContact O-N 3Å; Q444-R477 VanDerWaalsContact OE1-CZ 3.24Å
445	K	80.2	Confident	77.1	Confident	110 Å²	110	63.1 Å²	63.1	48%	0.478	34%	0.344	S	S	.	.			trans	-74	65.9	177.1	-62.2	-148.9	-174.3	-153.2	0	112.8	F435 Y440 M447 E503	F435-K445 HydrophobicContact CD1-CB 3.96Å; F435-K445 HydrophobicContact CE1-CB 3.9Å; F435-K445 HydrophobicContact CE1-CD 4.41Å; Y440-K445 HydrophobicContact CD2-CD 4.43Å; Y440-K445 HydrophobicContact CD2-CG 4.04Å; Y440-K445 HydrophobicContact CE2-CD 3.76Å; Y440-K445 HydrophobicContact CE2-CG 3.8Å; Y440-K445 PolarHBondContact OH-NZ 3.12Å; K445-M447 PolarHBondContact O-N 3.36Å; K445-E503 IonicContact NZ-OE1 3.17Å; K445-E503 PolarHBondContact NZ-OE1 2.83Å; K445-E503 IonicContact NZ-OE2 2.71Å; K445-E503 PolarHBondContact NZ-OE2 3.1Å
446	T	83.5	Confident	75	Confident	29 Å²	29	70 Å²	70	18%	0.178	38%	0.381	C	S	.	.			trans	-71.2	96.6	172.8	-54.7	0	0	0	0	110	F435 C436 C439 Q444 R477	F435-T446 WeakPolarHBondContact CA-O 3.04Å; C436-T446 PolarHBondContact N-O 2.91Å; C439-T446 WeakPolarHBondContact CB-OG1 3.05Å; C439-T446 PolarHBondContact SG-OG1 3.03Å; Q444-T446 PolarHBondContact O-N 3Å; T446-R477 PolarHBondContact OG1-NH2 3.16Å
447	M	80.9	Confident	72.8	Confident	73 Å²	73	73 Å²	73	36%	0.36	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	139.2	174.8	-172.1	172.2	70.6	0	0	110.6	L433 Y434 F435 K445 V449	L433-M447 HydrophobicContact CD1-SD 4Å; L433-M447 HydrophobicContact CD2-SD 4.13Å; L433-M447 HydrophobicContact CG-SD 4.45Å; Y434-M447 CarbonylContact O-C 3.53Å; Y434-M447 WeakPolarHBondContact O-CA 3.17Å; F435-M447 HydrophobicContact CD1-CB 4.09Å; F435-M447 HydrophobicContact CE1-CB 3.91Å; F435-M447 HydrophobicContact CE1-CG 4.38Å; K445-M447 PolarHBondContact O-N 3.36Å; M447-V449 HydrophobicContact CE-CG2 4.05Å
448	M	84.4	Confident	70.5	Confident	1 Å²	1	74.7 Å²	74.7	1%	0.005	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128.9	175.6	-56.8	-175.7	-53.8	0	0	108.9	Y434 F435 C436 L473 C475 I481 V500	Y434-M448 PolarHBondContact O-N 3.44Å; F435-M448 VanDerWaalsContact C-CE 3.48Å; F435-M448 VanDerWaalsContact O-CE 3.31Å; F435-M448 WeakPolarHBondContact O-CE 3.34Å; C436-M448 HydrophobicContact CB-CG 4.15Å; C436-M448 HydrophobicContact CB-SD 3.66Å; M448-L473 HydrophobicContact CB-CB 4.06Å; M448-L473 HydrophobicContact CB-CD2 4.42Å; M448-L473 HydrophobicContact CE-CB 4.15Å; M448-L473 HydrophobicContact CE-CD1 4.15Å; M448-L473 HydrophobicContact SD-CB 4.45Å; M448-C475 HydrophobicContact CG-CB 4.44Å; M448-C475 HydrophobicContact SD-CB 4.04Å; M448-I481 HydrophobicContact CE-CB 4.16Å; M448-I481 HydrophobicContact CE-CG2 3.83Å; M448-I481 HydrophobicContact SD-CB 3.73Å; M448-I481 HydrophobicContact SD-CG1 3.6Å; M448-I481 VanDerWaalsContact SD-CG1 3.6Å; M448-I481 HydrophobicContact SD-CG2 3.98Å; M448-V500 HydrophobicContact CE-CB 4.46Å; M448-V500 HydrophobicContact CE-CG1 4.24Å; M448-V500 HydrophobicContact CE-CG2 3.99Å
449	V	73	Confident	68.2	Low	43 Å²	43	74.9 Å²	74.9	26%	0.261	43%	0.426	S	S	.	.			trans	-108.9	135.5	-172.6	-176.9	0	0	0	0	109.1	M447 K451 G517	M447-V449 HydrophobicContact CE-CG2 4.05Å; V449-K451 PolarHBondContact O-N 3.03Å; V449-G517 VanDerWaalsContact CG1-C 3.42Å; V449-G517 WeakPolarHBondContact CG1-O 3.12Å
450	P	70.2	Confident	65.8	Low	14 Å²	14	80.1 Å²	80.1	9%	0.091	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	103.5	174	-24.5	35.7	0	0	0	112.4	Y471 V472 L473	P450-Y471 HydrophobicContact CB-CD2 3.79Å; P450-Y471 HydrophobicContact CB-CE2 4.44Å; P450-Y471 HydrophobicContact CB-CG 4.09Å; P450-Y471 HydrophobicContact CG-CD2 4.42Å; P450-V472 WeakPolarHBondContact CA-O 3.31Å; P450-L473 HydrophobicContact CB-CD2 4.4Å; P450-L473 HydrophobicContact CG-CD2 3.89Å
451	K	63.6	Low	63.8	Low	85 Å²	85	78.4 Å²	78.4	37%	0.37	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	153.2	176.4	-66.1	-172.5	-178.2	-176.1	0	112	V449 G453 Y471 V472 E474	V449-K451 PolarHBondContact O-N 3.03Å; K451-G453 VanDerWaalsContact C-N 3.34Å; K451-Y471 WeakPolarHBondContact O-CA 3.3Å; K451-V472 PolarHBondContact N-O 2.87Å; K451-V472 PolarHBondContact O-N 3.45Å; K451-E474 HydrophobicContact CD-CB 4.42Å; K451-E474 WeakPolarHBondContact CE-OE2 3.32Å; K451-E474 IonicContact NZ-OE2 2.74Å; K451-E474 PolarHBondContact NZ-OE2 2.97Å
452	S	55.2	Low	61.5	Low	40 Å²	40	75 Å²	75	28%	0.28	43%	0.425	S	S	.	.	S	Bend	trans	-82	-6	178.8	48	0	0	0	0	115.4	Y466	S452-Y466 VanDerWaalsContact CA-CE2 3.42Å
453	G	50.5	Low	59.2	Low	24 Å²	24	69.8 Å²	69.8	25%	0.247	41%	0.413	C	S	.	.	S	Bend	trans	178	179.6	177.2	0	0	0	0	0	111	K451	K451-G453 VanDerWaalsContact C-N 3.34Å
454	E	49.6	Very low	57.2	Low	102 Å²	102	68.1 Å²	68.1	48%	0.477	39%	0.388	S	S	.	.			trans	-68.1	153.1	169.5	-74.7	161.8	-163.5	0	0	110.8	N456 R483	E454-N456 PolarHBondContact O-N 3.47Å; E454-R483 IonicContact OE1-CZ 3.89Å; E454-R483 IonicContact OE1-NH1 2.72Å; E454-R483 PolarHBondContact OE1-NH1 3.49Å; E454-R483 IonicContact OE1-NH2 2.72Å; E454-R483 PolarHBondContact OE1-NH2 3.48Å
455	S	47.7	Very low	55.3	Low	93 Å²	93	69.3 Å²	69.3	65%	0.65	39%	0.392	S	S	*	.	S	Bend	trans	-67.7	16.7	-164.5	35.3	0	0	0	0	116	E474	S455-E474 PolarHBondContact OG-OE1 3.36Å
456	N	44	Very low	53.5	Low	157 Å²	157	65.3 Å²	65.3	84%	0.84	37%	0.374	S	S	*	.	S	Bend	trans	-141.3	40.3	-165.6	-143.8	4	0	0	0	113.1	E454	E454-N456 PolarHBondContact O-N 3.47Å
457	T	43.8	Very low	51.6	Low	62 Å²	62	69.7 Å²	69.7	38%	0.38	40%	0.396	S	S	.	.	S	Bend	trans	-135.5	140.9	179.8	54.7	0	0	0	0	113.3
458	N	45	Very low	49.9	Very low	135 Å²	135	72.8 Å²	72.8	72%	0.722	40%	0.404	S	S	*	.			trans	-59.6	140	-178.5	-72.2	-11.4	0	0	0	112.3	L460 S461 A462	N458-L460 VanDerWaalsContact C-N 3.34Å; N458-L460 PolarHBondContact O-N 3.38Å; N458-L460 VanDerWaalsContact O-N 3.13Å; N458-S461 PolarHBondContact O-N 3.31Å; N458-S461 PolarHBondContact O-OG 2.69Å; N458-A462 PolarHBondContact O-N 2.84Å
459	A	42.3	Very low	48.1	Very low	80 Å²	80	75.4 Å²	75.4	66%	0.661	43%	0.426	S	S	*	.	H	α-helix	trans	-50.9	-44.9	-171.5	0	0	0	0	0	114.7	S461 A462 V463	A459-S461 PolarHBondContact O-N 2.72Å; A459-A462 PolarHBondContact O-N 3.15Å; A459-V463 WeakPolarHBondContact O-CG2 3.5Å; A459-V463 PolarHBondContact O-N 3.07Å
460	L	39.6	Very low	47.4	Very low	112 Å²	112	74.1 Å²	74.1	59%	0.586	42%	0.421	S	S	*	.	H	α-helix	trans	-63.7	-35.7	176.7	-86.2	163.1	0	0	0	113.4	N458 V464	N458-L460 VanDerWaalsContact C-N 3.34Å; N458-L460 PolarHBondContact O-N 3.38Å; N458-L460 VanDerWaalsContact O-N 3.13Å; L460-V464 PolarHBondContact O-N 2.85Å
461	S	46.2	Very low	47.4	Very low	47 Å²	47	75.9 Å²	75.9	33%	0.329	43%	0.426	S	S	.	.	H	α-helix	trans	-79.1	-29.9	177	70.7	0	0	0	0	112.4	N458 A459 K465	N458-S461 PolarHBondContact O-N 3.31Å; N458-S461 PolarHBondContact O-OG 2.69Å; A459-S461 PolarHBondContact O-N 2.72Å; S461-K465 WeakPolarHBondContact O-CB 3.39Å; S461-K465 WeakPolarHBondContact O-CG 3.01Å; S461-K465 PolarHBondContact O-N 2.68Å
462	A	38.9	Very low	48	Very low	14 Å²	14	72.6 Å²	72.6	12%	0.116	41%	0.413	C	S	.	.	H	α-helix	trans	-64.5	-49.2	173.1	0	0	0	0	0	111.7	N458 A459 V464 K465 Y466	N458-A462 PolarHBondContact O-N 2.84Å; A459-A462 PolarHBondContact O-N 3.15Å; A462-V464 PolarHBondContact O-N 3.22Å; A462-K465 PolarHBondContact O-N 3.31Å; A462-Y466 WeakPolarHBondContact O-CB 3.41Å; A462-Y466 PolarHBondContact O-N 3Å; A462-Y466 VanDerWaalsContact O-N 3.15Å
463	V	40.4	Very low	49.4	Very low	76 Å²	76	70.7 Å²	70.7	46%	0.461	40%	0.4	S	S	.	.	H	α-helix	trans	-58.7	-36	177.8	170.9	0	0	0	0	112.1	A459 Y466	A459-V463 WeakPolarHBondContact O-CG2 3.5Å; A459-V463 PolarHBondContact O-N 3.07Å; V463-Y466 WeakPolarHBondContact O-CB 3.43Å
464	V	41	Very low	51	Low	33 Å²	33	71.2 Å²	71.2	20%	0.2	40%	0.396	C	S	.	.	H	α-helix	trans	-76.4	-51.4	179	158.3	0	0	0	0	112.9	L460 A462 Y466 L467 L751	L460-V464 PolarHBondContact O-N 2.85Å; A462-V464 PolarHBondContact O-N 3.22Å; V464-Y466 PolarHBondContact O-N 2.9Å; V464-L467 PolarHBondContact O-N 3.43Å; V464-L467 VanDerWaalsContact O-N 3.08Å; V464-L751 HydrophobicContact CB-CB 4.33Å; V464-L751 HydrophobicContact CG1-CB 3.6Å; V464-L751 HydrophobicContact CG1-CD2 4.01Å; V464-L751 HydrophobicContact CG1-CG 4.23Å; V464-L751 WeakPolarHBondContact CG1-O 3.37Å; V464-L751 HydrophobicContact CG2-CB 3.83Å; V464-L751 HydrophobicContact CG2-CD1 3.92Å; V464-L751 HydrophobicContact CG2-CG 4.35Å
465	K	41.5	Very low	52.8	Low	126 Å²	126	66.4 Å²	66.4	55%	0.548	37%	0.373	S	S	.	.	H	α-helix	trans	-53.5	-33.6	178.3	-80.9	-177.1	172.4	-176	0	110.7	S461 A462 L467 W468 A469	S461-K465 WeakPolarHBondContact O-CB 3.39Å; S461-K465 WeakPolarHBondContact O-CG 3.01Å; S461-K465 PolarHBondContact O-N 2.68Å; A462-K465 PolarHBondContact O-N 3.31Å; K465-L467 VanDerWaalsContact C-N 3.29Å; K465-L467 PolarHBondContact O-N 3.19Å; K465-W468 PolarHBondContact O-N 2.93Å; K465-A469 WeakPolarHBondContact O-CB 3.36Å; K465-A469 PolarHBondContact O-N 3.07Å
466	Y	43	Very low	54.5	Low	26 Å²	26	67.4 Å²	67.4	10%	0.102	38%	0.378	C	S	.	.	H	α-helix	trans	-59.3	-30.1	-179.3	-163.3	-127.1	0	0	0	115.8	S452 A462 V463 V464 W468 G470 P520 V521	S452-Y466 VanDerWaalsContact CA-CE2 3.42Å; A462-Y466 WeakPolarHBondContact O-CB 3.41Å; A462-Y466 PolarHBondContact O-N 3Å; A462-Y466 VanDerWaalsContact O-N 3.15Å; V463-Y466 WeakPolarHBondContact O-CB 3.43Å; V464-Y466 PolarHBondContact O-N 2.9Å; Y466-W468 PolarHBondContact O-N 3.39Å; Y466-G470 WeakPolarHBondContact CD2-O 3.23Å; Y466-G470 WeakPolarHBondContact CE2-O 3.31Å; Y466-P520 WeakPolarHBondContact OH-CA 3.45Å; Y466-P520 VanDerWaalsContact OH-CB 3.25Å; Y466-P520 WeakPolarHBondContact OH-CB 3.37Å; Y466-V521 HydrophobicContact CD1-CB 4.26Å; Y466-V521 HydrophobicContact CE1-CB 3.67Å; Y466-V521 HydrophobicContact CE1-CG2 4.25Å; Y466-V521 PolarHBondContact OH-N 2.98Å; Y466-V521 VanDerWaalsContact OH-N 3.08Å
467	L	43	Very low	56.4	Low	120 Å²	120	66.2 Å²	66.2	63%	0.628	36%	0.361	S	S	*	.	H	α-helix	trans	-63.8	-20	175.9	-71.6	168.6	0	0	0	112.7	V464 K465	V464-L467 PolarHBondContact O-N 3.43Å; V464-L467 VanDerWaalsContact O-N 3.08Å; K465-L467 VanDerWaalsContact C-N 3.29Å; K465-L467 PolarHBondContact O-N 3.19Å
468	W	44.4	Very low	58.5	Low	138 Å²	138	66.7 Å²	66.7	52%	0.523	36%	0.359	S	S	.	.	H	α-helix	trans	-124.6	-28.1	-174.6	-60.7	88.6	0	0	0	114	K465 Y466 R485 A752 P754	K465-W468 PolarHBondContact O-N 2.93Å; Y466-W468 PolarHBondContact O-N 3.39Å; W468-R485 PolarHBondContact O-NH1 3Å; W468-A752 WeakPolarHBondContact CZ2-O 3.04Å; W468-P754 HydrophobicContact CH2-CG 3.64Å; W468-P754 HydrophobicContact CZ2-CG 4.18Å; W468-P754 HydrophobicContact CZ3-CG 3.84Å
469	A	47.4	Very low	60.4	Low	57 Å²	57	61.9 Å²	61.9	47%	0.471	34%	0.341	S	S	.	.	H	α-helix	trans	-85.3	-19.3	-169.4	0	0	0	0	0	116.3	K465	K465-A469 WeakPolarHBondContact O-CB 3.36Å; K465-A469 PolarHBondContact O-N 3.07Å
470	G	59	Low	62.4	Low	15 Å²	15	60.3 Å²	60.3	16%	0.155	32%	0.323	C	S	.	.			trans	81.8	-158.3	-172.7	0	0	0	0	0	113.3	Y466 S484	Y466-G470 WeakPolarHBondContact CD2-O 3.23Å; Y466-G470 WeakPolarHBondContact CE2-O 3.31Å; G470-S484 WeakPolarHBondContact CA-OG 3.34Å
471	Y	68.3	Low	64.6	Low	52 Å²	52	55.3 Å²	55.3	20%	0.204	30%	0.297	C	S	.	.			trans	-122.9	159.4	-178.3	71.9	-98	0	0	0	113.6	P450 K451 L473 Y482 S484	P450-Y471 HydrophobicContact CB-CD2 3.79Å; P450-Y471 HydrophobicContact CB-CE2 4.44Å; P450-Y471 HydrophobicContact CB-CG 4.09Å; P450-Y471 HydrophobicContact CG-CD2 4.42Å; K451-Y471 WeakPolarHBondContact O-CA 3.3Å; Y471-L473 HydrophobicContact CE2-CD2 4.47Å; Y471-L473 HydrophobicContact CE2-CG 4.42Å; Y471-Y482 HydrophobicContact CD2-CD1 4.44Å; Y471-Y482 HydrophobicContact CD2-CE1 4.33Å; Y471-Y482 AromaticContact CE2-CD1 3.81Å; Y471-Y482 HydrophobicContact CE2-CD1 3.81Å; Y471-Y482 AromaticContact CE2-CE1 3.49Å; Y471-Y482 HydrophobicContact CE2-CE1 3.49Å; Y471-Y482 VanDerWaalsContact CE2-CE1 3.49Å; Y471-Y482 AromaticContact CZ-CE1 3.74Å; Y471-S484 VanDerWaalsContact CD1-CB 3.45Å; Y471-S484 WeakPolarHBondContact CD1-OG 3.5Å; Y471-S484 PolarHBondContact N-OG 3.02Å; Y471-S484 PolarHBondContact O-N 3.5Å
472	V	78.1	Confident	66.4	Low	15 Å²	15	54 Å²	54	9%	0.091	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	136.3	-178.9	-173.7	0	0	0	0	110	P450 K451 T480 Y482 R483	P450-V472 WeakPolarHBondContact CA-O 3.31Å; K451-V472 PolarHBondContact N-O 2.87Å; K451-V472 PolarHBondContact O-N 3.45Å; V472-T480 HydrophobicContact CG1-CG2 3.55Å; V472-Y482 CarbonylContact C-O 3.46Å; V472-Y482 WeakPolarHBondContact CA-O 3.46Å; V472-Y482 WeakPolarHBondContact CG1-O 3.46Å; V472-R483 HydrophobicContact CG1-CG 4.42Å; V472-R483 HydrophobicContact CG2-CG 4.44Å
473	L	83.5	Confident	68.4	Low	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	117.6	163.8	-56.3	175.3	0	0	0	108.5	Y434 M448 P450 Y471 I481 Y482 P494 V500	Y434-L473 HydrophobicContact CD1-CD1 4.36Å; Y434-L473 HydrophobicContact CD2-CD1 4.19Å; Y434-L473 HydrophobicContact CD2-CD2 4.16Å; Y434-L473 HydrophobicContact CG-CD1 3.9Å; M448-L473 HydrophobicContact CB-CB 4.06Å; M448-L473 HydrophobicContact CB-CD2 4.42Å; M448-L473 HydrophobicContact CE-CB 4.15Å; M448-L473 HydrophobicContact CE-CD1 4.15Å; M448-L473 HydrophobicContact SD-CB 4.45Å; P450-L473 HydrophobicContact CB-CD2 4.4Å; P450-L473 HydrophobicContact CG-CD2 3.89Å; Y471-L473 HydrophobicContact CE2-CD2 4.47Å; Y471-L473 HydrophobicContact CE2-CG 4.42Å; L473-I481 PolarHBondContact O-N 2.84Å; L473-Y482 HydrophobicContact CD1-CD1 4.1Å; L473-Y482 HydrophobicContact CD1-CG 4.23Å; L473-Y482 HydrophobicContact CG-CD1 4.03Å; L473-Y482 HydrophobicContact CG-CG 4.44Å; L473-Y482 PolarHBondContact N-O 3.39Å; L473-Y482 PolarHBondContact O-N 3.4Å; L473-P494 HydrophobicContact CD1-CB 3.92Å; L473-V500 HydrophobicContact CD1-CG2 4.34Å
474	E	83.6	Confident	69.7	Low	36 Å²	36	55.9 Å²	55.9	17%	0.168	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.6	-178.5	-170.7	-175.4	-142	0	0	110	K451 S455 G479	K451-E474 HydrophobicContact CD-CB 4.42Å; K451-E474 WeakPolarHBondContact CE-OE2 3.32Å; K451-E474 IonicContact NZ-OE2 2.74Å; K451-E474 PolarHBondContact NZ-OE2 2.97Å; S455-E474 PolarHBondContact OG-OE1 3.36Å; E474-G479 CarbonylContact C-O 3.59Å; E474-G479 WeakPolarHBondContact CA-O 3.37Å
475	C	87.3	Confident	70.8	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.007	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	125.3	170.3	177.8	0	0	0	0	109.5	C436 M448 R477 H478 G479 I481	C436-C475 HydrophobicContact CB-CB 3.81Å; C436-C475 WeakPolarHBondContact CB-SG 3.5Å; M448-C475 HydrophobicContact CG-CB 4.44Å; M448-C475 HydrophobicContact SD-CB 4.04Å; C475-R477 PolarHBondContact O-N 3.46Å; C475-H478 HydrophobicContact CB-CB 4.07Å; C475-H478 PolarHBondContact O-N 3.1Å; C475-H478 PolarHBondContact SG-ND1 3.25Å; C475-G479 PolarHBondContact N-O 3.03Å; C475-G479 PolarHBondContact O-N 3.34Å; C475-I481 HydrophobicContact CB-CD1 4.4Å; C475-I481 HydrophobicContact CB-CG1 3.77Å
476	P	83.7	Confident	71.5	Confident	114 Å²	114	57.5 Å²	57.5	74%	0.74	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-14.1	179.3	-29	36	0	0	0	116.6
477	R	84.8	Confident	72	Confident	132 Å²	132	64.3 Å²	64.3	50%	0.498	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-18.9	176.7	-74.6	-172.8	-73.4	-130.7	2.1	115.4	C439 Q444 T446 C475	C439-R477 PolarHBondContact SG-NH2 2.82Å; Q444-R477 VanDerWaalsContact OE1-CZ 3.24Å; T446-R477 PolarHBondContact OG1-NH2 3.16Å; C475-R477 PolarHBondContact O-N 3.46Å
478	H	87	Confident	71.7	Confident	72 Å²	72	66.6 Å²	66.6	33%	0.333	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.8	7.4	-170	-55.8	119	0	0	0	112.8	C436 L438 C439 C475 I481	C436-H478 PolarHBondContact SG-ND1 2.92Å; L438-H478 VanDerWaalsContact CB-CE1 3.48Å; L438-H478 WeakPolarHBondContact CB-CE1 3.45Å; C439-H478 PolarHBondContact SG-CE1 2.9Å; C475-H478 HydrophobicContact CB-CB 4.07Å; C475-H478 PolarHBondContact O-N 3.1Å; C475-H478 PolarHBondContact SG-ND1 3.25Å; H478-I481 HydrophobicContact CB-CD1 3.85Å
479	G	85	Confident	71.5	Confident	33 Å²	33	63.3 Å²	63.3	34%	0.34	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	67.7	-148	-179.2	0	0	0	0	0	112.9	E474 C475 I481	E474-G479 CarbonylContact C-O 3.59Å; E474-G479 WeakPolarHBondContact CA-O 3.37Å; C475-G479 PolarHBondContact N-O 3.03Å; C475-G479 PolarHBondContact O-N 3.34Å; G479-I481 PolarHBondContact O-N 2.95Å
480	T	84.9	Confident	71.5	Confident	47 Å²	47	63.9 Å²	63.9	29%	0.288	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	118.8	178.9	-69.1	0	0	0	0	111.2	V472 R483	V472-T480 HydrophobicContact CG1-CG2 3.55Å; T480-R483 HydrophobicContact CG2-CG 3.66Å
481	I	85.8	Confident	71.6	Confident	7 Å²	7	65.6 Å²	65.6	4%	0.036	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-28.9	176.5	-63.4	-56.5	0	0	0	111.8	M448 L473 C475 H478 G479 N497 Q499 V500	M448-I481 HydrophobicContact CE-CB 4.16Å; M448-I481 HydrophobicContact CE-CG2 3.83Å; M448-I481 HydrophobicContact SD-CB 3.73Å; M448-I481 HydrophobicContact SD-CG1 3.6Å; M448-I481 VanDerWaalsContact SD-CG1 3.6Å; M448-I481 HydrophobicContact SD-CG2 3.98Å; L473-I481 PolarHBondContact O-N 2.84Å; C475-I481 HydrophobicContact CB-CD1 4.4Å; C475-I481 HydrophobicContact CB-CG1 3.77Å; H478-I481 HydrophobicContact CB-CD1 3.85Å; G479-I481 PolarHBondContact O-N 2.95Å; I481-N497 PolarHBondContact O-ND2 3.16Å; I481-Q499 HydrophobicContact CG2-CB 3.73Å; I481-V500 HydrophobicContact CG2-CG2 3.8Å
482	Y	84	Confident	71.8	Confident	19 Å²	19	67.1 Å²	67.1	8%	0.075	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	146.2	-177.2	176.4	-95.6	0	0	0	112	Y471 V472 L473 V492 P494 N497	Y471-Y482 HydrophobicContact CD2-CD1 4.44Å; Y471-Y482 HydrophobicContact CD2-CE1 4.33Å; Y471-Y482 AromaticContact CE2-CD1 3.81Å; Y471-Y482 HydrophobicContact CE2-CD1 3.81Å; Y471-Y482 AromaticContact CE2-CE1 3.49Å; Y471-Y482 HydrophobicContact CE2-CE1 3.49Å; Y471-Y482 VanDerWaalsContact CE2-CE1 3.49Å; Y471-Y482 AromaticContact CZ-CE1 3.74Å; V472-Y482 CarbonylContact C-O 3.46Å; V472-Y482 WeakPolarHBondContact CA-O 3.46Å; V472-Y482 WeakPolarHBondContact CG1-O 3.46Å; L473-Y482 HydrophobicContact CD1-CD1 4.1Å; L473-Y482 HydrophobicContact CD1-CG 4.23Å; L473-Y482 HydrophobicContact CG-CD1 4.03Å; L473-Y482 HydrophobicContact CG-CG 4.44Å; L473-Y482 PolarHBondContact N-O 3.39Å; L473-Y482 PolarHBondContact O-N 3.4Å; Y482-V492 WeakPolarHBondContact CE2-O 3.29Å; Y482-V492 PolarHBondContact OH-O 2.89Å; Y482-P494 HydrophobicContact CD1-CB 4.08Å; Y482-P494 HydrophobicContact CD2-CB 4.07Å; Y482-P494 HydrophobicContact CE1-CB 3.99Å; Y482-P494 HydrophobicContact CE1-CG 4.31Å; Y482-P494 HydrophobicContact CE2-CB 4Å; Y482-P494 HydrophobicContact CG-CB 4.11Å; Y482-P494 WeakPolarHBondContact OH-CD 3.39Å; Y482-N497 HydrophobicContact CD2-CB 4.08Å
483	R	80.6	Confident	71.7	Confident	110 Å²	110	72.2 Å²	72.2	42%	0.415	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	125.6	170.7	-60.1	-179.3	-174.3	-99	1.2	108.9	E454 V472 T480 R485 G486	E454-R483 IonicContact OE1-CZ 3.89Å; E454-R483 IonicContact OE1-NH1 2.72Å; E454-R483 PolarHBondContact OE1-NH1 3.49Å; E454-R483 IonicContact OE1-NH2 2.72Å; E454-R483 PolarHBondContact OE1-NH2 3.48Å; V472-R483 HydrophobicContact CG1-CG 4.42Å; V472-R483 HydrophobicContact CG2-CG 4.44Å; T480-R483 HydrophobicContact CG2-CG 3.66Å; R483-R485 PolarHBondContact O-N 3.21Å; R483-G486 PolarHBondContact O-N 2.9Å
484	S	68.6	Low	71.7	Confident	20 Å²	20	72.4 Å²	72.4	14%	0.14	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-9.6	-177.2	87.2	0	0	0	0	114.5	G470 Y471	G470-S484 WeakPolarHBondContact CA-OG 3.34Å; Y471-S484 VanDerWaalsContact CD1-CB 3.45Å; Y471-S484 WeakPolarHBondContact CD1-OG 3.5Å; Y471-S484 PolarHBondContact N-OG 3.02Å; Y471-S484 PolarHBondContact O-N 3.5Å
485	R	63.7	Low	71.6	Confident	150 Å²	150	72.4 Å²	72.4	57%	0.566	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137	52.5	173.6	-69.2	-173.2	170.4	159.6	1.5	109.6	W468 R483 N491	W468-R485 PolarHBondContact O-NH1 3Å; R483-R485 PolarHBondContact O-N 3.21Å; R485-N491 WeakPolarHBondContact CA-OD1 3.34Å
486	G	56.6	Low	71.4	Confident	43 Å²	43	78.8 Å²	78.8	44%	0.443	41%	0.409	S	S	.	.	S	Bend	trans	-67.9	-25.9	169.1	0	0	0	0	0	112.4	R483 N491	R483-G486 PolarHBondContact O-N 2.9Å; G486-N491 PolarHBondContact N-OD1 3.48Å
487	Y	52.1	Low	71.5	Confident	170 Å²	170	74.7 Å²	74.7	67%	0.667	38%	0.381	S	S	*	.	S	Bend	trans	-129.9	158.5	177.6	-55	-80.2	0	0	0	110.3	S489 N491	Y487-S489 VanDerWaalsContact C-N 3.3Å; Y487-S489 WeakPolarHBondContact CB-O 3.41Å; Y487-N491 PolarHBondContact N-OD1 2.74Å; Y487-N491 PolarHBondContact O-ND2 2.9Å; Y487-N491 PolarHBondContact O-OD1 3.42Å
488	W	36.8	Very low	71.6	Confident	167 Å²	167	73.2 Å²	73.2	63%	0.633	39%	0.389	S	S	*	.	S	Bend	trans	-73	-23.9	177.9	-72.2	81.6	0	0	0	113.1	R803 G804	W488-R803 VanDerWaalsContact CE3-CA 3.5Å; W488-R803 VanDerWaalsContact CZ3-CA 3.48Å; W488-R803 HydrophobicContact CZ3-CB 4.22Å; W488-R803 WeakPolarHBondContact CZ3-O 3.47Å; W488-G804 WeakPolarHBondContact O-CA 3.38Å
489	S	40.3	Very low	71.6	Confident	69 Å²	69	74.2 Å²	74.2	48%	0.483	39%	0.393	S	S	.	.	S	Bend	trans	-147	166.6	170.5	61.7	0	0	0	0	108.9	Y487 N491	Y487-S489 VanDerWaalsContact C-N 3.3Å; Y487-S489 WeakPolarHBondContact CB-O 3.41Å; S489-N491 VanDerWaalsContact C-N 3.35Å; S489-N491 PolarHBondContact O-N 2.68Å
490	G	47.1	Very low	71.8	Confident	70 Å²	70	72.9 Å²	72.9	72%	0.722	38%	0.379	S	S	*	.			trans	69.7	23.9	177	0	0	0	0	0	115.7	V492	G490-V492 PolarHBondContact O-N 2.96Å; G490-V492 VanDerWaalsContact O-N 3.11Å
491	N	61.6	Low	72	Confident	51 Å²	51	73.1 Å²	73.1	27%	0.273	38%	0.376	S	S	.	.			trans	-62.9	113.8	172.1	-66.2	-73.5	0	0	0	110	R485 G486 Y487 S489	R485-N491 WeakPolarHBondContact CA-OD1 3.34Å; G486-N491 PolarHBondContact N-OD1 3.48Å; Y487-N491 PolarHBondContact N-OD1 2.74Å; Y487-N491 PolarHBondContact O-ND2 2.9Å; Y487-N491 PolarHBondContact O-OD1 3.42Å; S489-N491 VanDerWaalsContact C-N 3.35Å; S489-N491 PolarHBondContact O-N 2.68Å
492	V	71.7	Confident	72.1	Confident	84 Å²	84	77.7 Å²	77.7	51%	0.509	39%	0.393	S	S	.	.			trans	-59.5	137.3	171.8	177.6	0	0	0	0	109.2	Y482 G490 M496	Y482-V492 WeakPolarHBondContact CE2-O 3.29Å; Y482-V492 PolarHBondContact OH-O 2.89Å; G490-V492 PolarHBondContact O-N 2.96Å; G490-V492 VanDerWaalsContact O-N 3.11Å; V492-M496 HydrophobicContact CG1-CB 3.45Å; V492-M496 VanDerWaalsContact CG1-CB 3.45Å
493	E	77.6	Confident	72.1	Confident	121 Å²	121	79 Å²	79	57%	0.565	40%	0.4	S	S	*	.			trans	-64.4	150.3	176	-60.2	-172.8	135.4	0	0	111.4	E495 M496 N497	E493-E495 WeakPolarHBondContact CB-OE2 3.33Å; E493-E495 PolarHBondContact O-N 2.73Å; E493-E495 VanDerWaalsContact O-N 3.15Å; E493-M496 PolarHBondContact O-N 3.3Å; E493-N497 PolarHBondContact O-N 3.31Å
494	P	81.9	Confident	72.2	Confident	5 Å²	5	76.4 Å²	76.4	3%	0.032	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-61	-27.4	-177.5	25.5	-33.6	0	0	0	113	Y434 L473 Y482 M496 N497 V500	Y434-P494 HydrophobicContact CD1-CB 4.22Å; Y434-P494 HydrophobicContact CD1-CG 4.41Å; Y434-P494 HydrophobicContact CE1-CB 3.89Å; Y434-P494 HydrophobicContact CE1-CG 3.62Å; L473-P494 HydrophobicContact CD1-CB 3.92Å; Y482-P494 HydrophobicContact CD1-CB 4.08Å; Y482-P494 HydrophobicContact CD2-CB 4.07Å; Y482-P494 HydrophobicContact CE1-CB 3.99Å; Y482-P494 HydrophobicContact CE1-CG 4.31Å; Y482-P494 HydrophobicContact CE2-CB 4Å; Y482-P494 HydrophobicContact CG-CB 4.11Å; Y482-P494 WeakPolarHBondContact OH-CD 3.39Å; P494-M496 PolarHBondContact O-N 3.45Å; P494-N497 PolarHBondContact O-N 2.67Å; P494-V500 VanDerWaalsContact O-CB 3.22Å; P494-V500 WeakPolarHBondContact O-CB 3.46Å; P494-V500 WeakPolarHBondContact O-CG1 3.45Å
495	E	82.9	Confident	72.8	Confident	36 Å²	36	77.1 Å²	77.1	17%	0.168	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-62.6	-25.2	173.7	-65.4	86.6	163.3	0	0	113.7	K432 Y434 E493 W502	K432-E495 HydrophobicContact CD-CG 4.17Å; K432-E495 WeakPolarHBondContact CD-OE1 3.18Å; K432-E495 WeakPolarHBondContact CE-OE1 3.42Å; K432-E495 IonicContact NZ-OE1 2.66Å; K432-E495 PolarHBondContact NZ-OE1 3.44Å; Y434-E495 HydrophobicContact CE1-CG 4.39Å; Y434-E495 PolarHBondContact OH-OE1 3.2Å; E493-E495 WeakPolarHBondContact CB-OE2 3.33Å; E493-E495 PolarHBondContact O-N 2.73Å; E493-E495 VanDerWaalsContact O-N 3.15Å; E495-W502 HydrophobicContact CG-CD2 4.14Å; E495-W502 HydrophobicContact CG-CG 4.16Å; E495-W502 HydrophobicContact CG-CZ2 4.46Å; E495-W502 PolarHBondContact O-NE1 2.94Å
496	M	83.6	Confident	73.6	Confident	134 Å²	134	71.8 Å²	71.8	66%	0.66	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-101.9	-4.7	-178.2	-59.4	-64	173.1	0	0	112.1	V492 E493 P494	V492-M496 HydrophobicContact CG1-CB 3.45Å; V492-M496 VanDerWaalsContact CG1-CB 3.45Å; E493-M496 PolarHBondContact O-N 3.3Å; P494-M496 PolarHBondContact O-N 3.45Å
497	N	84.3	Confident	74.7	Confident	28 Å²	28	70.3 Å²	70.3	15%	0.15	36%	0.361	C	S	.	.			trans	-73.5	126.2	172.6	175.3	-51.8	0	0	0	110	I481 Y482 E493 P494 Q499 V500	I481-N497 PolarHBondContact O-ND2 3.16Å; Y482-N497 HydrophobicContact CD2-CB 4.08Å; E493-N497 PolarHBondContact O-N 3.31Å; P494-N497 PolarHBondContact O-N 2.67Å; N497-Q499 PolarHBondContact O-N 3.45Å; N497-Q499 VanDerWaalsContact O-N 3.1Å; N497-Q499 WeakPolarHBondContact OD1-CA 3.45Å; N497-Q499 WeakPolarHBondContact OD1-CB 3.38Å; N497-Q499 PolarHBondContact OD1-N 2.89Å; N497-V500 HydrophobicContact CB-CB 4.36Å; N497-V500 HydrophobicContact CB-CG2 3.82Å; N497-V500 PolarHBondContact O-N 3.31Å; N497-V500 VanDerWaalsContact O-N 3.12Å
498	P	86.9	Confident	76	Confident	102 Å²	102	63 Å²	63	66%	0.662	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-13.1	-171.7	27.8	-36	0	0	0	114.9	K437	K437-P498 WeakPolarHBondContact CD-O 3.46Å; K437-P498 WeakPolarHBondContact CE-O 3.45Å; K437-P498 PolarHBondContact NZ-O 2.91Å
499	Q	88.1	Confident	77.7	Confident	92 Å²	92	60.5 Å²	60.5	43%	0.43	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-5.2	178	-60.7	178.6	-72.4	0	0	113.5	K437 I481 N497	K437-Q499 WeakPolarHBondContact CB-O 3.31Å; K437-Q499 PolarHBondContact N-O 2.67Å; I481-Q499 HydrophobicContact CG2-CB 3.73Å; N497-Q499 PolarHBondContact O-N 3.45Å; N497-Q499 VanDerWaalsContact O-N 3.1Å; N497-Q499 WeakPolarHBondContact OD1-CA 3.45Å; N497-Q499 WeakPolarHBondContact OD1-CB 3.38Å; N497-Q499 PolarHBondContact OD1-N 2.89Å
500	V	88.6	Confident	78.8	Confident	6 Å²	6	60.6 Å²	60.6	4%	0.036	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	143.1	174.4	-179.3	0	0	0	0	109.8	Y434 M448 L473 I481 P494 N497	Y434-V500 HydrophobicContact CD1-CG1 3.83Å; Y434-V500 HydrophobicContact CG-CG1 4.46Å; M448-V500 HydrophobicContact CE-CB 4.46Å; M448-V500 HydrophobicContact CE-CG1 4.24Å; M448-V500 HydrophobicContact CE-CG2 3.99Å; L473-V500 HydrophobicContact CD1-CG2 4.34Å; I481-V500 HydrophobicContact CG2-CG2 3.8Å; P494-V500 VanDerWaalsContact O-CB 3.22Å; P494-V500 WeakPolarHBondContact O-CB 3.46Å; P494-V500 WeakPolarHBondContact O-CG1 3.45Å; N497-V500 HydrophobicContact CB-CB 4.36Å; N497-V500 HydrophobicContact CB-CG2 3.82Å; N497-V500 PolarHBondContact O-N 3.31Å; N497-V500 VanDerWaalsContact O-N 3.12Å
501	H	89	Confident	79.4	Confident	51 Å²	51	59.2 Å²	59.2	24%	0.236	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	150.4	162	175.5	71	0	0	0	107.9	Y434 F435 K437 Y440 E503	Y434-H501 CarbonylContact C-O 3.59Å; Y434-H501 WeakPolarHBondContact CA-O 3.03Å; F435-H501 HydrophobicContact CB-CB 4.3Å; F435-H501 PolarHBondContact N-O 2.79Å; F435-H501 PolarHBondContact O-N 3.27Å; K437-H501 HydrophobicContact CB-CB 4.21Å; K437-H501 HydrophobicContact CG-CB 4.32Å; Y440-H501 AromaticContact CD2-CD2 3.37Å; Y440-H501 WeakPolarHBondContact CD2-CD2 3.08Å; Y440-H501 AromaticContact CD2-NE2 3.83Å; Y440-H501 AromaticContact CE2-CD2 3.38Å; Y440-H501 WeakPolarHBondContact CE2-CD2 3.29Å; Y440-H501 AromaticContact CE2-NE2 3.34Å; Y440-H501 VanDerWaalsContact CE2-NE2 3.34Å; Y440-H501 WeakPolarHBondContact CE2-NE2 3.29Å; Y440-H501 AromaticContact CG-CD2 3.92Å; Y440-H501 AromaticContact CZ-CD2 3.96Å; Y440-H501 AromaticContact CZ-NE2 3.52Å; H501-E503 IonicContact CD2-OE1 2.67Å; H501-E503 IonicContact CE1-OE1 3.51Å; H501-E503 WeakPolarHBondContact NE2-CG 3.41Å; H501-E503 IonicContact NE2-OE1 3.56Å; H501-E503 PolarHBondContact NE2-OE1 2.76Å
502	W	87.9	Confident	78.9	Confident	104 Å²	104	64.2 Å²	64.2	39%	0.394	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	149.4	-177.5	59.8	-92.8	0	0	0	112.9	K432 L433 Y434 E495 I504	K432-W502 HydrophobicContact CD-CE3 4.42Å; K432-W502 HydrophobicContact CG-CE3 4.25Å; L433-W502 WeakPolarHBondContact O-CA 3.49Å; Y434-W502 HydrophobicContact CD1-CB 3.99Å; Y434-W502 HydrophobicContact CE1-CB 4.39Å; E495-W502 HydrophobicContact CG-CD2 4.14Å; E495-W502 HydrophobicContact CG-CG 4.16Å; E495-W502 HydrophobicContact CG-CZ2 4.46Å; E495-W502 PolarHBondContact O-NE1 2.94Å; W502-I504 HydrophobicContact CE3-CG1 4.49Å; W502-I504 HydrophobicContact CZ3-CD1 4.2Å; W502-I504 HydrophobicContact CZ3-CG1 4.08Å
503	E	83.9	Confident	77.6	Confident	46 Å²	46	64.5 Å²	64.5	22%	0.215	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	145	-177.2	-57.8	-178.7	178.9	0	0	110.5	K432 L433 F435 Y440 K445 H501	K432-E503 WeakPolarHBondContact CA-O 3.46Å; L433-E503 PolarHBondContact N-O 3.44Å; L433-E503 PolarHBondContact O-N 3.23Å; F435-E503 HydrophobicContact CD2-CG 4.33Å; F435-E503 HydrophobicContact CE2-CB 4.07Å; F435-E503 HydrophobicContact CE2-CG 4.01Å; Y440-E503 VanDerWaalsContact CE2-OE1 3.25Å; Y440-E503 WeakPolarHBondContact CE2-OE1 3.45Å; Y440-E503 PolarHBondContact OH-OE1 2.77Å; K445-E503 IonicContact NZ-OE1 3.17Å; K445-E503 PolarHBondContact NZ-OE1 2.83Å; K445-E503 IonicContact NZ-OE2 2.71Å; K445-E503 PolarHBondContact NZ-OE2 3.1Å; H501-E503 IonicContact CD2-OE1 2.67Å; H501-E503 IonicContact CE1-OE1 3.51Å; H501-E503 WeakPolarHBondContact NE2-CG 3.41Å; H501-E503 IonicContact NE2-OE1 3.56Å; H501-E503 PolarHBondContact NE2-OE1 2.76Å
504	I	83.1	Confident	76.2	Confident	55 Å²	55	63 Å²	63	28%	0.282	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	123.1	175.3	-52.8	162.3	0	0	0	108.4	C423 R424 N431 W502	C423-I504 HydrophobicContact CB-CG2 4.18Å; C423-I504 VanDerWaalsContact O-CG2 3.29Å; C423-I504 WeakPolarHBondContact O-CG2 3.4Å; R424-I504 WeakPolarHBondContact O-CG2 3.32Å; N431-I504 WeakPolarHBondContact ND2-CG2 3.48Å; N431-I504 WeakPolarHBondContact O-CA 3.35Å; W502-I504 HydrophobicContact CE3-CG1 4.49Å; W502-I504 HydrophobicContact CZ3-CD1 4.2Å; W502-I504 HydrophobicContact CZ3-CG1 4.08Å
505	V	80.3	Confident	74.7	Confident	35 Å²	35	63.5 Å²	63.5	21%	0.212	34%	0.337	C	S	.	.			trans	-110	155.8	-172.9	-62.7	0	0	0	0	113	C423 N431 L433	C423-V505 WeakPolarHBondContact CB-O 3.5Å; C423-V505 PolarHBondContact SG-O 3.31Å; N431-V505 PolarHBondContact ND2-O 3.41Å; N431-V505 PolarHBondContact O-N 3.45Å; L433-V505 HydrophobicContact CD1-CB 4.47Å; L433-V505 HydrophobicContact CD1-CG1 3.65Å; L433-V505 HydrophobicContact CD1-CG2 4.07Å; L433-V505 HydrophobicContact CD2-CG2 4.39Å; L433-V505 HydrophobicContact CG-CG1 3.93Å; L433-V505 HydrophobicContact CG-CG2 3.9Å
506	H	80.3	Confident	72.8	Confident	38 Å²	38	64.9 Å²	64.9	18%	0.176	35%	0.35	C	S	.	.			trans	-70.9	138.3	170.8	-66	-75.9	0	0	0	110	C388 C391 S421 W508	C388-H506 HydrophobicContact CB-CB 4.18Å; C391-H506 PolarHBondContact SG-CE1 3.49Å; C391-H506 PolarHBondContact SG-ND1 3.13Å; S421-H506 PolarHBondContact O-NE2 2.61Å; H506-W508 HydrophobicContact CB-CZ2 3.8Å
507	V	80.6	Confident	70.7	Confident	12 Å²	12	60 Å²	60	7%	0.073	34%	0.335	C	S	.	.			trans	-114	119.6	179	-171.3	0	0	0	0	108.7	C388 I389 L429 N431 L515	C388-V507 CarbonylContact C-O 3.57Å; C388-V507 WeakPolarHBondContact CA-O 3.22Å; C388-V507 PolarHBondContact SG-N 2.92Å; I389-V507 HydrophobicContact CD1-CB 4.45Å; I389-V507 HydrophobicContact CD1-CG1 3.91Å; I389-V507 HydrophobicContact CG1-CB 3.93Å; I389-V507 HydrophobicContact CG1-CG1 3.92Å; I389-V507 WeakPolarHBondContact CG1-O 3.3Å; I389-V507 PolarHBondContact N-O 2.78Å; L429-V507 HydrophobicContact CB-CG2 4.47Å; N431-V507 HydrophobicContact CB-CG2 3.25Å; V507-L515 HydrophobicContact CB-CD1 4.34Å; V507-L515 HydrophobicContact CG1-CD1 3.65Å; V507-L515 HydrophobicContact CG2-CD1 3.75Å
508	W	79.2	Confident	68.7	Low	16 Å²	16	59.1 Å²	59.1	6%	0.061	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-102	152.6	-169.7	-55.1	100.5	0	0	0	112.9	C388 V393 C395 H408 A410 H506 G510 E511	C388-W508 HydrophobicContact CB-CE3 4.24Å; C388-W508 HydrophobicContact CB-CZ3 4.17Å; V393-W508 HydrophobicContact CG1-CH2 3.91Å; V393-W508 HydrophobicContact CG1-CZ3 4.34Å; V393-W508 WeakPolarHBondContact O-CZ3 3.42Å; C395-W508 HydrophobicContact CB-CE3 4.43Å; C395-W508 HydrophobicContact CB-CH2 4.32Å; C395-W508 HydrophobicContact CB-CZ3 3.99Å; H408-W508 HydrophobicContact CB-CB 4.08Å; H408-W508 HydrophobicContact CB-CD2 3.43Å; H408-W508 VanDerWaalsContact CB-CD2 3.43Å; H408-W508 HydrophobicContact CB-CE3 4.05Å; H408-W508 HydrophobicContact CB-CG 3.43Å; H408-W508 VanDerWaalsContact CB-CG 3.43Å; H408-W508 HydrophobicContact CB-CZ2 4.22Å; H408-W508 WeakPolarHBondContact CD2-CB 3.47Å; H408-W508 AromaticContact CD2-CG 3.76Å; H408-W508 AromaticContact CG-CG 3.9Å; H408-W508 PolarHBondContact O-NE1 2.85Å; A410-W508 HydrophobicContact CB-CH2 4.35Å; A410-W508 HydrophobicContact CB-CZ2 4.32Å; H506-W508 HydrophobicContact CB-CZ2 3.8Å; W508-G510 PolarHBondContact O-N 3.06Å; W508-E511 HydrophobicContact CB-CB 4.3Å; W508-E511 PolarHBondContact O-N 3.3Å
509	Q	72.1	Confident	66.8	Low	115 Å²	115	56.3 Å²	56.3	54%	0.537	31%	0.308	S	S	.	.	S	Bend	trans	-64.9	101	177.5	-69.5	178.9	-11.5	0	0	111	K387 I389	K387-Q509 PolarHBondContact O-N 2.95Å; I389-Q509 HydrophobicContact CG2-CG 3.38Å
510	G	63.9	Low	64.8	Low	72 Å²	72	53.2 Å²	53.2	74%	0.742	30%	0.296	S	S	*	.	S	Bend	trans	115.8	-36.1	177.9	0	0	0	0	0	113.8	W508 K512	W508-G510 PolarHBondContact O-N 3.06Å; G510-K512 PolarHBondContact O-N 3.18Å
511	E	59	Low	62.6	Low	41 Å²	41	56.4 Å²	56.4	19%	0.192	32%	0.315	C	S	.	.			trans	-74.9	83.1	176.8	-72.4	-177.5	168.8	0	0	111.7	G407 H408 W508	G407-E511 WeakPolarHBondContact CA-OE1 3.36Å; H408-E511 IonicContact CD2-OE1 3.68Å; H408-E511 PolarHBondContact CD2-OE1 3.26Å; H408-E511 IonicContact CD2-OE2 3.74Å; H408-E511 IonicContact CG-OE1 2.75Å; H408-E511 PolarHBondContact N-OE1 3.36Å; W508-E511 HydrophobicContact CB-CB 4.3Å; W508-E511 PolarHBondContact O-N 3.3Å
512	K	51.3	Low	60.1	Low	155 Å²	155	56.6 Å²	56.6	67%	0.674	32%	0.322	S	S	*	.			trans	-82.9	-23	171	-66.6	-170.2	176.6	-172.6	0	113.6	G510 I514 L515 S516	G510-K512 PolarHBondContact O-N 3.18Å; K512-I514 PolarHBondContact O-N 3.12Å; K512-L515 PolarHBondContact O-N 3.15Å; K512-L515 VanDerWaalsContact O-N 3.08Å; K512-S516 PolarHBondContact O-N 2.96Å; K512-S516 PolarHBondContact O-OG 3.03Å
513	S	45.5	Very low	58.1	Low	91 Å²	91	55.3 Å²	55.3	64%	0.636	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-38.1	-163.9	54	0	0	0	0	115.2	L515 S516	S513-L515 VanDerWaalsContact C-N 3.28Å; S513-L515 PolarHBondContact O-N 3.24Å; S513-S516 PolarHBondContact O-N 3.24Å
514	I	48.5	Very low	56.1	Low	89 Å²	89	57 Å²	57	46%	0.456	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-34.3	179.5	-61.3	175.5	0	0	0	111	L433 K512	L433-I514 HydrophobicContact CD1-CG2 4.15Å; L433-I514 HydrophobicContact CD2-CG2 4.34Å; K512-I514 PolarHBondContact O-N 3.12Å
515	L	50.3	Low	54	Low	15 Å²	15	58.1 Å²	58.1	8%	0.079	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-18.5	-178.6	-61.4	174.9	0	0	0	113.5	L433 V507 K512 S513 G517 T518 H519	L433-L515 HydrophobicContact CD2-CD2 4.08Å; V507-L515 HydrophobicContact CB-CD1 4.34Å; V507-L515 HydrophobicContact CG1-CD1 3.65Å; V507-L515 HydrophobicContact CG2-CD1 3.75Å; K512-L515 PolarHBondContact O-N 3.15Å; K512-L515 VanDerWaalsContact O-N 3.08Å; S513-L515 VanDerWaalsContact C-N 3.28Å; S513-L515 PolarHBondContact O-N 3.24Å; L515-G517 PolarHBondContact O-N 2.93Å; L515-T518 VanDerWaalsContact CA-OG1 3.29Å; L515-T518 WeakPolarHBondContact CA-OG1 3.39Å; L515-T518 PolarHBondContact O-N 3.29Å; L515-T518 PolarHBondContact O-OG1 2.74Å; L515-H519 PolarHBondContact O-CD2 2.69Å; L515-H519 PolarHBondContact O-N 2.76Å
516	S	43.5	Very low	52.2	Low	65 Å²	65	61.2 Å²	61.2	46%	0.455	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-24.4	176	-63.4	0	0	0	0	113.9	K512 S513	K512-S516 PolarHBondContact O-N 2.96Å; K512-S516 PolarHBondContact O-OG 3.03Å; S513-S516 PolarHBondContact O-N 3.24Å
517	G	39.1	Very low	50.2	Low	32 Å²	32	63.7 Å²	63.7	33%	0.33	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-35.4	170.1	0	0	0	0	0	114.6	V449 L515 H519	V449-G517 VanDerWaalsContact CG1-C 3.42Å; V449-G517 WeakPolarHBondContact CG1-O 3.12Å; L515-G517 PolarHBondContact O-N 2.93Å; G517-H519 VanDerWaalsContact C-N 3.26Å; G517-H519 PolarHBondContact O-N 3.31Å
518	T	42.2	Very low	48.2	Very low	10 Å²	10	64.7 Å²	64.7	6%	0.061	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-17.2	-173.9	41.7	0	0	0	0	114.4	L433 L515 P520	L433-T518 HydrophobicContact CD2-CG2 3.8Å; L515-T518 VanDerWaalsContact CA-OG1 3.29Å; L515-T518 WeakPolarHBondContact CA-OG1 3.39Å; L515-T518 PolarHBondContact O-N 3.29Å; L515-T518 PolarHBondContact O-OG1 2.74Å; T518-P520 WeakPolarHBondContact O-CD 3.38Å
519	H	45.6	Very low	46.2	Very low	43 Å²	43	67.7 Å²	67.7	20%	0.199	40%	0.396	C	S	.	.	S	Bend	trans	-71.2	130.4	175.5	-63.2	-73.6	0	0	0	111.7	L515 G517 V521 L524	L515-H519 PolarHBondContact O-CD2 2.69Å; L515-H519 PolarHBondContact O-N 2.76Å; G517-H519 VanDerWaalsContact C-N 3.26Å; G517-H519 PolarHBondContact O-N 3.31Å; H519-V521 PolarHBondContact O-N 3.44Å; H519-L524 HydrophobicContact CB-CB 4.24Å; H519-L524 HydrophobicContact CB-CD1 4.03Å
520	P	47.6	Very low	44.7	Very low	26 Å²	26	65.4 Å²	65.4	17%	0.169	39%	0.39	C	S	.	.			trans	-53.5	131.3	154.6	-23.7	34.7	0	0	0	110.2	Y466 T518 S522 Q523 L524	Y466-P520 WeakPolarHBondContact OH-CA 3.45Å; Y466-P520 VanDerWaalsContact OH-CB 3.25Å; Y466-P520 WeakPolarHBondContact OH-CB 3.37Å; T518-P520 WeakPolarHBondContact O-CD 3.38Å; P520-S522 PolarHBondContact O-N 3.19Å; P520-Q523 WeakPolarHBondContact O-CB 3.4Å; P520-Q523 PolarHBondContact O-N 3.03Å; P520-L524 PolarHBondContact O-N 3.36Å
521	V	42.7	Very low	43.5	Very low	73 Å²	73	65 Å²	65	44%	0.442	37%	0.373	S	S	.	.	H	α-helix	trans	-57.2	-25.6	-176.9	-176.4	0	0	0	0	111.9	Y466 H519 L524 L525	Y466-V521 HydrophobicContact CD1-CB 4.26Å; Y466-V521 HydrophobicContact CE1-CB 3.67Å; Y466-V521 HydrophobicContact CE1-CG2 4.25Å; Y466-V521 PolarHBondContact OH-N 2.98Å; Y466-V521 VanDerWaalsContact OH-N 3.08Å; H519-V521 PolarHBondContact O-N 3.44Å; V521-L524 PolarHBondContact O-N 2.92Å; V521-L525 HydrophobicContact CG1-CD1 4.19Å; V521-L525 HydrophobicContact CG1-CG 4.47Å; V521-L525 WeakPolarHBondContact O-CB 3.5Å; V521-L525 WeakPolarHBondContact O-CG 3.34Å; V521-L525 PolarHBondContact O-N 3.34Å
522	S	35.8	Very low	42.3	Very low	55 Å²	55	65.2 Å²	65.2	39%	0.385	38%	0.377	S	S	.	.	H	α-helix	trans	-68.3	-35.1	174.2	47.9	0	0	0	0	113.7	P520 L526	P520-S522 PolarHBondContact O-N 3.19Å; S522-L526 PolarHBondContact O-N 3.47Å; S522-L526 VanDerWaalsContact O-N 3.12Å
523	Q	44.7	Very low	41.6	Very low	78 Å²	78	59.1 Å²	59.1	36%	0.364	35%	0.354	S	S	.	.	H	α-helix	trans	-71.2	-45.5	170.1	-76.7	-175.5	-33	0	0	110.6	P520 L525 L526 D527	P520-Q523 WeakPolarHBondContact O-CB 3.4Å; P520-Q523 PolarHBondContact O-N 3.03Å; Q523-L525 PolarHBondContact O-N 3.29Å; Q523-L526 WeakPolarHBondContact O-CA 3.5Å; Q523-L526 WeakPolarHBondContact O-CB 3.37Å; Q523-L526 PolarHBondContact O-N 2.89Å; Q523-D527 PolarHBondContact O-N 3.34Å
524	L	43.4	Very low	41.3	Very low	80 Å²	80	58 Å²	58	42%	0.419	35%	0.346	S	S	.	.	H	α-helix	trans	-62.5	-33.6	-178.9	-155.3	149.7	0	0	0	112	H519 P520 V521 G528	H519-L524 HydrophobicContact CB-CB 4.24Å; H519-L524 HydrophobicContact CB-CD1 4.03Å; P520-L524 PolarHBondContact O-N 3.36Å; V521-L524 PolarHBondContact O-N 2.92Å; L524-G528 PolarHBondContact O-N 2.86Å
525	L	39.6	Very low	40.8	Very low	79 Å²	79	57 Å²	57	41%	0.414	34%	0.339	S	S	.	.	H	α-helix	trans	-68.7	-43.1	168.3	-77.6	167.3	0	0	0	113.2	V521 Q523 L529	V521-L525 HydrophobicContact CG1-CD1 4.19Å; V521-L525 HydrophobicContact CG1-CG 4.47Å; V521-L525 WeakPolarHBondContact O-CB 3.5Å; V521-L525 WeakPolarHBondContact O-CG 3.34Å; V521-L525 PolarHBondContact O-N 3.34Å; Q523-L525 PolarHBondContact O-N 3.29Å; L525-L529 VanDerWaalsContact O-CB 3.27Å; L525-L529 WeakPolarHBondContact O-CB 3.42Å; L525-L529 WeakPolarHBondContact O-CD1 3.47Å; L525-L529 WeakPolarHBondContact O-CG 3.27Å; L525-L529 PolarHBondContact O-N 3.45Å
526	L	41.1	Very low	40.2	Very low	100 Å²	100	58.6 Å²	58.6	52%	0.524	35%	0.35	S	S	.	.	H	α-helix	trans	-62.9	-46.4	177.2	-111.6	66.9	0	0	0	112.1	S522 Q523 L529 T530	S522-L526 PolarHBondContact O-N 3.47Å; S522-L526 VanDerWaalsContact O-N 3.12Å; Q523-L526 WeakPolarHBondContact O-CA 3.5Å; Q523-L526 WeakPolarHBondContact O-CB 3.37Å; Q523-L526 PolarHBondContact O-N 2.89Å; L526-L529 PolarHBondContact O-N 2.79Å; L526-T530 WeakPolarHBondContact O-CB 3.47Å; L526-T530 VanDerWaalsContact O-CG2 3.31Å; L526-T530 WeakPolarHBondContact O-CG2 3.5Å; L526-T530 PolarHBondContact O-N 3.17Å; L526-T530 PolarHBondContact O-OG1 3.33Å
527	D	38.2	Very low	39.9	Very low	91 Å²	91	57.5 Å²	57.5	49%	0.487	34%	0.342	S	S	.	.	H	α-helix	trans	-68.1	-39.9	-179.5	-63.4	-25.7	0	0	0	110.7	Q523 T530 V531	Q523-D527 PolarHBondContact O-N 3.34Å; D527-T530 WeakPolarHBondContact CA-OG1 3.47Å; D527-T530 PolarHBondContact O-OG1 3.16Å; D527-V531 WeakPolarHBondContact O-CB 3.47Å; D527-V531 VanDerWaalsContact O-CG2 3.31Å; D527-V531 WeakPolarHBondContact O-CG2 3.44Å; D527-V531 PolarHBondContact O-N 3.07Å; D527-V531 VanDerWaalsContact O-N 3.14Å
528	G	39.6	Very low	40.1	Very low	32 Å²	32	63 Å²	63	33%	0.33	36%	0.359	S	S	.	.	H	α-helix	trans	-59.5	-51.7	170.9	0	0	0	0	0	112.5	L524 T530 V532	L524-G528 PolarHBondContact O-N 2.86Å; G528-T530 PolarHBondContact O-N 3.19Å; G528-V532 VanDerWaalsContact O-CB 3.27Å; G528-V532 WeakPolarHBondContact O-CB 3.24Å; G528-V532 WeakPolarHBondContact O-CG2 3.33Å; G528-V532 PolarHBondContact O-N 3.17Å
529	L	37.6	Very low	39.9	Very low	79 Å²	79	70 Å²	70	41%	0.414	40%	0.395	S	S	.	.	H	α-helix	trans	-68.9	-33.2	-177.2	-71	169.3	0	0	0	113.4	L525 L526 S533 I551	L525-L529 VanDerWaalsContact O-CB 3.27Å; L525-L529 WeakPolarHBondContact O-CB 3.42Å; L525-L529 WeakPolarHBondContact O-CD1 3.47Å; L525-L529 WeakPolarHBondContact O-CG 3.27Å; L525-L529 PolarHBondContact O-N 3.45Å; L526-L529 PolarHBondContact O-N 2.79Å; L529-S533 WeakPolarHBondContact O-CB 3.28Å; L529-S533 PolarHBondContact O-N 2.73Å; L529-S533 PolarHBondContact O-OG 2.8Å; L529-I551 HydrophobicContact CD2-CD1 4.41Å
530	T	40.5	Very low	39.4	Very low	67 Å²	67	69 Å²	69	41%	0.411	40%	0.395	S	S	.	.	H	α-helix	trans	-71.9	-42.4	176.5	49.6	0	0	0	0	112	L526 D527 G528 S533 S534	L526-T530 WeakPolarHBondContact O-CB 3.47Å; L526-T530 VanDerWaalsContact O-CG2 3.31Å; L526-T530 WeakPolarHBondContact O-CG2 3.5Å; L526-T530 PolarHBondContact O-N 3.17Å; L526-T530 PolarHBondContact O-OG1 3.33Å; D527-T530 WeakPolarHBondContact CA-OG1 3.47Å; D527-T530 PolarHBondContact O-OG1 3.16Å; G528-T530 PolarHBondContact O-N 3.19Å; T530-S533 PolarHBondContact O-OG 3.5Å; T530-S534 PolarHBondContact O-N 2.7Å
531	V	36.9	Very low	39	Very low	65 Å²	65	69.8 Å²	69.8	39%	0.394	41%	0.407	S	S	.	.	H	α-helix	trans	-63.5	-49	172.8	174.8	0	0	0	0	110.7	D527 S534 Q535 M729	D527-V531 WeakPolarHBondContact O-CB 3.47Å; D527-V531 VanDerWaalsContact O-CG2 3.31Å; D527-V531 WeakPolarHBondContact O-CG2 3.44Å; D527-V531 PolarHBondContact O-N 3.07Å; D527-V531 VanDerWaalsContact O-N 3.14Å; V531-S534 PolarHBondContact O-N 2.69Å; V531-S534 PolarHBondContact O-OG 3.48Å; V531-Q535 PolarHBondContact O-N 2.92Å; V531-M729 HydrophobicContact CG1-CE 3.92Å
532	V	35.6	Very low	38.6	Very low	45 Å²	45	70 Å²	70	27%	0.273	41%	0.41	S	S	.	.	H	α-helix	trans	-62.2	-47.7	-179	169.4	0	0	0	0	111.8	G528 S534 Q535 V536	G528-V532 VanDerWaalsContact O-CB 3.27Å; G528-V532 WeakPolarHBondContact O-CB 3.24Å; G528-V532 WeakPolarHBondContact O-CG2 3.33Å; G528-V532 PolarHBondContact O-N 3.17Å; V532-S534 VanDerWaalsContact C-N 3.28Å; V532-S534 PolarHBondContact O-N 3.15Å; V532-Q535 PolarHBondContact O-N 3.39Å; V532-V536 HydrophobicContact CG1-CB 4.36Å; V532-V536 HydrophobicContact CG1-CG2 3.67Å; V532-V536 VanDerWaalsContact O-CB 3.26Å; V532-V536 WeakPolarHBondContact O-CB 3.43Å; V532-V536 WeakPolarHBondContact O-CG2 3.49Å; V532-V536 PolarHBondContact O-N 3.37Å
533	S	36.6	Very low	38.6	Very low	27 Å²	27	72.4 Å²	72.4	19%	0.189	42%	0.424	C	S	.	.	H	α-helix	trans	-61.8	-34.3	-179.8	57.2	0	0	0	0	113	L529 T530 Q535 S537	L529-S533 WeakPolarHBondContact O-CB 3.28Å; L529-S533 PolarHBondContact O-N 2.73Å; L529-S533 PolarHBondContact O-OG 2.8Å; T530-S533 PolarHBondContact O-OG 3.5Å; S533-Q535 PolarHBondContact O-N 3.2Å; S533-S537 VanDerWaalsContact O-CB 3.29Å; S533-S537 WeakPolarHBondContact O-CB 3.42Å; S533-S537 PolarHBondContact O-N 2.8Å; S533-S537 PolarHBondContact O-OG 3.02Å
534	S	38.4	Very low	38.3	Very low	67 Å²	67	70.5 Å²	70.5	47%	0.469	42%	0.422	S	S	.	.	H	α-helix	trans	-65.5	-33.6	178.7	75.8	0	0	0	0	113.9	T530 V531 V532	T530-S534 PolarHBondContact O-N 2.7Å; V531-S534 PolarHBondContact O-N 2.69Å; V531-S534 PolarHBondContact O-OG 3.48Å; V532-S534 VanDerWaalsContact C-N 3.28Å; V532-S534 PolarHBondContact O-N 3.15Å
535	Q	37.5	Very low	38.5	Very low	68 Å²	68	72.6 Å²	72.6	32%	0.318	42%	0.424	S	S	.	.	H	α-helix	trans	-101.3	-39.4	-175.7	-63.2	-174.8	-2.8	0	0	113	V531 V532 S533 S537 Q538 L539	V531-Q535 PolarHBondContact O-N 2.92Å; V532-Q535 PolarHBondContact O-N 3.39Å; S533-Q535 PolarHBondContact O-N 3.2Å; Q535-S537 VanDerWaalsContact C-N 3.29Å; Q535-S537 PolarHBondContact O-N 2.74Å; Q535-Q538 PolarHBondContact O-N 3.22Å; Q535-Q538 VanDerWaalsContact O-N 3.09Å; Q535-L539 PolarHBondContact O-N 3.11Å
536	V	37.1	Very low	39.1	Very low	49 Å²	49	75.9 Å²	75.9	30%	0.297	43%	0.431	S	S	.	.	H	α-helix	trans	-65.5	-32.7	178.9	173.3	0	0	0	0	111.5	V532 Q538 L539 A540	V532-V536 HydrophobicContact CG1-CB 4.36Å; V532-V536 HydrophobicContact CG1-CG2 3.67Å; V532-V536 VanDerWaalsContact O-CB 3.26Å; V532-V536 WeakPolarHBondContact O-CB 3.43Å; V532-V536 WeakPolarHBondContact O-CG2 3.49Å; V532-V536 PolarHBondContact O-N 3.37Å; V536-Q538 PolarHBondContact O-N 2.89Å; V536-L539 PolarHBondContact O-N 2.72Å; V536-A540 HydrophobicContact CG1-CB 3.66Å; V536-A540 WeakPolarHBondContact O-CB 3.41Å; V536-A540 PolarHBondContact O-N 3.21Å
537	S	39.1	Very low	39.4	Very low	41 Å²	41	75.6 Å²	75.6	29%	0.287	43%	0.429	S	S	.	.	H	α-helix	trans	-60.9	-26.8	174.3	-59.6	0	0	0	0	113.1	S533 Q535 R545	S533-S537 VanDerWaalsContact O-CB 3.29Å; S533-S537 WeakPolarHBondContact O-CB 3.42Å; S533-S537 PolarHBondContact O-N 2.8Å; S533-S537 PolarHBondContact O-OG 3.02Å; Q535-S537 VanDerWaalsContact C-N 3.29Å; Q535-S537 PolarHBondContact O-N 2.74Å; S537-R545 PolarHBondContact O-NE 2.88Å
538	Q	41.5	Very low	39.9	Very low	148 Å²	148	71.6 Å²	71.6	69%	0.692	41%	0.41	S	S	*	.	H	α-helix	trans	-82.3	-43.1	177	-60	-174.8	-3.9	0	0	111.7	Q535 V536 R545	Q535-Q538 PolarHBondContact O-N 3.22Å; Q535-Q538 VanDerWaalsContact O-N 3.09Å; V536-Q538 PolarHBondContact O-N 2.89Å; Q538-R545 PolarHBondContact O-NH2 3Å
539	L	38.9	Very low	40.7	Very low	156 Å²	156	72.1 Å²	72.1	82%	0.817	41%	0.405	S	S	*	.	H	α-helix	trans	-94.7	-19.1	-169.1	-73.2	164.2	0	0	0	116	Q535 V536	Q535-L539 PolarHBondContact O-N 3.11Å; V536-L539 PolarHBondContact O-N 2.72Å
540	A	35.4	Very low	41.5	Very low	24 Å²	24	73.6 Å²	73.6	20%	0.198	41%	0.413	C	S	.	.	S	Bend	trans	-99	157.2	-167.7	0	0	0	0	0	115.1	V536 A544 R545	V536-A540 HydrophobicContact CG1-CB 3.66Å; V536-A540 WeakPolarHBondContact O-CB 3.41Å; V536-A540 PolarHBondContact O-N 3.21Å; A540-A544 HydrophobicContact CB-CB 3.52Å; A540-R545 WeakPolarHBondContact O-CD 3.41Å; A540-R545 WeakPolarHBondContact O-CG 3.32Å; A540-R545 PolarHBondContact O-NE 3.43Å
541	G	38.7	Very low	42.1	Very low	41 Å²	41	72.6 Å²	72.6	42%	0.423	41%	0.405	S	S	.	.			trans	-69.6	173	-180	0	0	0	0	0	114.8	P543 A544 R545	G541-P543 VanDerWaalsContact C-CD 3.47Å; G541-A544 PolarHBondContact O-N 3.33Å; G541-R545 PolarHBondContact O-N 3.37Å
542	P	35.2	Very low	43	Very low	78 Å²	78	71 Å²	71	51%	0.506	40%	0.398	S	S	.	.	H	α-helix	trans	-52	-40.5	-170.1	-26.5	33.8	0	0	0	116.5	R546	P542-R546 WeakPolarHBondContact O-CG 3.36Å; P542-R546 PolarHBondContact O-N 3.05Å; P542-R546 VanDerWaalsContact O-N 3.14Å
543	P	34.8	Very low	44.4	Very low	106 Å²	106	70.6 Å²	70.6	69%	0.688	40%	0.395	S	S	*	.	H	α-helix	trans	-64.8	-42	177.4	-21.7	34.1	0	0	0	112.8	G541 R546 L547	G541-P543 VanDerWaalsContact C-CD 3.47Å; P543-R546 PolarHBondContact O-N 3.28Å; P543-L547 PolarHBondContact O-N 2.9Å; P543-L547 VanDerWaalsContact O-N 3.13Å
544	A	38	Very low	45.3	Very low	38 Å²	38	73.7 Å²	73.7	31%	0.314	42%	0.416	S	S	.	.	H	α-helix	trans	-72.5	-35.8	-179.4	0	0	0	0	0	112.1	A540 G541 L547 G548	A540-A544 HydrophobicContact CB-CB 3.52Å; G541-A544 PolarHBondContact O-N 3.33Å; A544-L547 PolarHBondContact O-N 2.93Å; A544-G548 PolarHBondContact O-N 3.43Å
545	R	47.8	Very low	46.4	Very low	123 Å²	123	74.7 Å²	74.7	46%	0.464	42%	0.419	S	S	.	.	H	α-helix	trans	-61	-41.1	170.1	-85.2	178	174.7	162.7	6.2	112.4	S537 Q538 A540 G541 L547 G548 D549	S537-R545 PolarHBondContact O-NE 2.88Å; Q538-R545 PolarHBondContact O-NH2 3Å; A540-R545 WeakPolarHBondContact O-CD 3.41Å; A540-R545 WeakPolarHBondContact O-CG 3.32Å; A540-R545 PolarHBondContact O-NE 3.43Å; G541-R545 PolarHBondContact O-N 3.37Å; R545-L547 VanDerWaalsContact C-N 3.33Å; R545-L547 PolarHBondContact O-N 3.17Å; R545-G548 PolarHBondContact O-N 2.99Å; R545-D549 PolarHBondContact O-N 3.4Å
546	R	51.7	Low	47.4	Very low	149 Å²	149	72.9 Å²	72.9	56%	0.562	42%	0.416	S	S	*	.	H	α-helix	trans	-64.7	-35.6	174.5	-72.3	-178	-175.9	-175.1	3	112.7	P542 P543 L550 S579	P542-R546 WeakPolarHBondContact O-CG 3.36Å; P542-R546 PolarHBondContact O-N 3.05Å; P542-R546 VanDerWaalsContact O-N 3.14Å; P543-R546 PolarHBondContact O-N 3.28Å; R546-L550 WeakPolarHBondContact O-CB 3.48Å; R546-L550 VanDerWaalsContact O-CG 3.28Å; R546-L550 WeakPolarHBondContact O-CG 3.43Å; R546-L550 PolarHBondContact O-N 3.37Å; R546-S579 PolarHBondContact NH2-OG 3.35Å
547	L	47.9	Very low	49.1	Very low	93 Å²	93	73 Å²	73	49%	0.487	42%	0.418	S	S	.	.	H	α-helix	trans	-66.7	-40.2	172.5	-176.2	60.3	0	0	0	111.7	P543 A544 R545 L550 I551	P543-L547 PolarHBondContact O-N 2.9Å; P543-L547 VanDerWaalsContact O-N 3.13Å; A544-L547 PolarHBondContact O-N 2.93Å; R545-L547 VanDerWaalsContact C-N 3.33Å; R545-L547 PolarHBondContact O-N 3.17Å; L547-L550 PolarHBondContact O-N 3Å; L547-I551 HydrophobicContact CD1-CD1 4.05Å; L547-I551 HydrophobicContact CD1-CG1 4.37Å; L547-I551 HydrophobicContact CG-CD1 3.9Å; L547-I551 VanDerWaalsContact O-CG1 3.29Å; L547-I551 WeakPolarHBondContact O-CG1 3.46Å; L547-I551 PolarHBondContact O-N 3.35Å
548	G	48.7	Very low	50.8	Low	8 Å²	8	83.5 Å²	83.5	8%	0.082	45%	0.451	C	S	.	.	H	α-helix	trans	-60.6	-50.1	172.9	0	0	0	0	0	113.1	A544 R545 L550 I551 A552	A544-G548 PolarHBondContact O-N 3.43Å; R545-G548 PolarHBondContact O-N 2.99Å; G548-L550 VanDerWaalsContact C-N 3.32Å; G548-L550 PolarHBondContact O-N 3.08Å; G548-I551 PolarHBondContact O-N 3.38Å; G548-A552 WeakPolarHBondContact O-CB 3.48Å; G548-A552 PolarHBondContact O-N 2.81Å
549	D	56.2	Low	52.7	Low	42 Å²	42	79.7 Å²	79.7	23%	0.225	43%	0.431	C	S	.	.	H	α-helix	trans	-57.4	-42.6	175.4	-85.4	-18.2	0	0	0	111.1	R545 D553 N563 K654	R545-D549 PolarHBondContact O-N 3.4Å; D549-D553 WeakPolarHBondContact O-CB 3.21Å; D549-D553 PolarHBondContact O-N 3.1Å; D549-N563 HydrophobicContact CB-CB 3.88Å; D549-N563 WeakPolarHBondContact OD1-CB 3.37Å; D549-K654 IonicContact OD1-NZ 2.69Å; D549-K654 PolarHBondContact OD1-NZ 2.83Å; D549-K654 VanDerWaalsContact OD1-NZ 3.08Å; D549-K654 IonicContact OD2-NZ 2.74Å; D549-K654 PolarHBondContact OD2-NZ 3.11Å
550	L	56.1	Low	55	Low	111 Å²	111	74.6 Å²	74.6	58%	0.581	40%	0.401	S	S	*	.	H	α-helix	trans	-67.8	-40.1	177.8	-76.5	169.7	0	0	0	113.7	R546 L547 G548 D553 S554	R546-L550 WeakPolarHBondContact O-CB 3.48Å; R546-L550 VanDerWaalsContact O-CG 3.28Å; R546-L550 WeakPolarHBondContact O-CG 3.43Å; R546-L550 PolarHBondContact O-N 3.37Å; L547-L550 PolarHBondContact O-N 3Å; G548-L550 VanDerWaalsContact C-N 3.32Å; G548-L550 PolarHBondContact O-N 3.08Å; L550-D553 PolarHBondContact O-N 2.89Å; L550-S554 PolarHBondContact O-N 3.07Å; L550-S554 VanDerWaalsContact O-N 3.14Å
551	I	52.3	Low	57.3	Low	46 Å²	46	76.4 Å²	76.4	24%	0.236	41%	0.405	C	S	.	.	H	α-helix	trans	-66.7	-44.2	176.2	-70.1	165.5	0	0	0	109.6	L529 L547 G548 D553 S554 V555	L529-I551 HydrophobicContact CD2-CD1 4.41Å; L547-I551 HydrophobicContact CD1-CD1 4.05Å; L547-I551 HydrophobicContact CD1-CG1 4.37Å; L547-I551 HydrophobicContact CG-CD1 3.9Å; L547-I551 VanDerWaalsContact O-CG1 3.29Å; L547-I551 WeakPolarHBondContact O-CG1 3.46Å; L547-I551 PolarHBondContact O-N 3.35Å; G548-I551 PolarHBondContact O-N 3.38Å; I551-D553 PolarHBondContact O-N 3.34Å; I551-S554 PolarHBondContact O-N 3.44Å; I551-S554 VanDerWaalsContact O-N 3.12Å; I551-S554 PolarHBondContact O-OG 3.45Å; I551-V555 PolarHBondContact O-N 2.88Å
552	A	56	Low	59.2	Low	31 Å²	31	77.4 Å²	77.4	26%	0.256	40%	0.404	S	S	.	.	H	α-helix	trans	-60	-43.2	174.9	0	0	0	0	0	112	G548 S554 V555 A556	G548-A552 WeakPolarHBondContact O-CB 3.48Å; G548-A552 PolarHBondContact O-N 2.81Å; A552-S554 PolarHBondContact O-N 2.82Å; A552-V555 PolarHBondContact O-N 3.49Å; A552-A556 WeakPolarHBondContact O-CB 3.14Å; A552-A556 PolarHBondContact O-N 3.05Å; A552-A556 VanDerWaalsContact O-N 3.08Å
553	D	65.2	Low	60.9	Low	37 Å²	37	74.6 Å²	74.6	20%	0.198	39%	0.385	C	S	.	.	H	α-helix	trans	-63.1	-25.9	176.2	-74.5	-2.5	0	0	0	112.6	D549 L550 I551 P562 N563 S564	D549-D553 WeakPolarHBondContact O-CB 3.21Å; D549-D553 PolarHBondContact O-N 3.1Å; L550-D553 PolarHBondContact O-N 2.89Å; I551-D553 PolarHBondContact O-N 3.34Å; D553-P562 WeakPolarHBondContact OD1-CA 3.32Å; D553-P562 WeakPolarHBondContact OD2-CB 3.29Å; D553-N563 VanDerWaalsContact CG-N 3.34Å; D553-N563 VanDerWaalsContact OD1-CB 3.3Å; D553-N563 WeakPolarHBondContact OD1-CB 3.4Å; D553-N563 PolarHBondContact OD1-N 2.86Å; D553-N563 PolarHBondContact OD1-ND2 2.98Å; D553-N563 PolarHBondContact OD2-N 2.88Å; D553-S564 PolarHBondContact OD2-N 3.09Å; D553-S564 PolarHBondContact OD2-OG 3.4Å
554	S	55.7	Low	62.7	Low	91 Å²	91	73.8 Å²	73.8	64%	0.636	38%	0.382	S	S	*	.	H	α-helix	trans	-80.3	-21	178.5	77.1	0	0	0	0	115	L550 I551 A552	L550-S554 PolarHBondContact O-N 3.07Å; L550-S554 VanDerWaalsContact O-N 3.14Å; I551-S554 PolarHBondContact O-N 3.44Å; I551-S554 VanDerWaalsContact O-N 3.12Å; I551-S554 PolarHBondContact O-OG 3.45Å; A552-S554 PolarHBondContact O-N 2.82Å
555	V	60.2	Low	64.7	Low	89 Å²	89	74.4 Å²	74.4	54%	0.539	38%	0.384	S	S	.	.	H	α-helix	trans	-109.9	-3.3	178.9	-60.2	0	0	0	0	113.5	I551 A552	I551-V555 PolarHBondContact O-N 2.88Å; A552-V555 PolarHBondContact O-N 3.49Å
556	A	59	Low	66.3	Low	30 Å²	30	69 Å²	69	25%	0.248	36%	0.364	C	S	.	.	S	Bend	trans	-70.1	144.7	-179.4	0	0	0	0	0	112.6	A552 W560	A552-A556 WeakPolarHBondContact O-CB 3.14Å; A552-A556 PolarHBondContact O-N 3.05Å; A552-A556 VanDerWaalsContact O-N 3.08Å; A556-W560 HydrophobicContact CB-CB 4.2Å; A556-W560 HydrophobicContact CB-CD2 4.46Å; A556-W560 HydrophobicContact CB-CE3 4.01Å
557	P	72.8	Confident	67.8	Low	51 Å²	51	69.6 Å²	69.6	33%	0.331	37%	0.371	S	S	.	.			trans	-56.1	141.4	168.4	-25.2	34.6	0	0	0	112.1	Y559 W560	P557-Y559 HydrophobicContact CB-CD1 3.67Å; P557-Y559 HydrophobicContact CB-CE1 3.4Å; P557-Y559 VanDerWaalsContact CB-CE1 3.4Å; P557-Y559 HydrophobicContact CG-CE1 4.16Å; P557-Y559 PolarHBondContact O-N 2.84Å; P557-W560 HydrophobicContact CB-CG 4.41Å; P557-W560 HydrophobicContact CG-CD2 4.4Å; P557-W560 HydrophobicContact CG-CG 4.45Å; P557-W560 VanDerWaalsContact O-CB 3.32Å; P557-W560 WeakPolarHBondContact O-CB 3.41Å; P557-W560 PolarHBondContact O-N 2.77Å
558	R	74.3	Confident	69.7	Low	261 Å²	261	66.6 Å²	66.6	99%	0.985	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-18.5	-173	-67.7	-175.2	-177.6	166.2	3	116.4
559	Y	82	Confident	71.7	Confident	69 Å²	69	66.3 Å²	66.3	27%	0.271	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-7.7	177.4	76.6	-82.1	0	0	0	112.9	P557 R658 Q678 Y680	P557-Y559 HydrophobicContact CB-CD1 3.67Å; P557-Y559 HydrophobicContact CB-CE1 3.4Å; P557-Y559 VanDerWaalsContact CB-CE1 3.4Å; P557-Y559 HydrophobicContact CG-CE1 4.16Å; P557-Y559 PolarHBondContact O-N 2.84Å; Y559-R658 PolarHBondContact OH-O 3.42Å; Y559-Q678 HydrophobicContact CE1-CB 4.2Å; Y559-Q678 HydrophobicContact CE2-CG 4.2Å; Y559-Y680 VanDerWaalsContact OH-CE2 3.29Å; Y559-Y680 WeakPolarHBondContact OH-CE2 3.32Å; Y559-Y680 PolarHBondContact OH-OH 3.49Å
560	W	86.2	Confident	73.3	Confident	49 Å²	49	65.2 Å²	65.2	19%	0.186	35%	0.353	C	S	.	.	S	Bend	trans	-73.7	139.9	174.2	-75.2	26.6	0	0	0	110.6	A556 P557 P562 H656 R658 Y680	A556-W560 HydrophobicContact CB-CB 4.2Å; A556-W560 HydrophobicContact CB-CD2 4.46Å; A556-W560 HydrophobicContact CB-CE3 4.01Å; P557-W560 HydrophobicContact CB-CG 4.41Å; P557-W560 HydrophobicContact CG-CD2 4.4Å; P557-W560 HydrophobicContact CG-CG 4.45Å; P557-W560 VanDerWaalsContact O-CB 3.32Å; P557-W560 WeakPolarHBondContact O-CB 3.41Å; P557-W560 PolarHBondContact O-N 2.77Å; W560-P562 WeakPolarHBondContact O-CD 3.25Å; W560-H656 HydrophobicContact CD2-CB 3.81Å; W560-H656 AromaticContact CD2-CD2 3.67Å; W560-H656 AromaticContact CD2-CG 3.75Å; W560-H656 HydrophobicContact CE3-CB 3.7Å; W560-H656 AromaticContact CE3-CD2 3.38Å; W560-H656 AromaticContact CE3-CE1 3.92Å; W560-H656 AromaticContact CE3-CG 3.28Å; W560-H656 AromaticContact CE3-ND1 3.67Å; W560-H656 AromaticContact CE3-NE2 3.77Å; W560-H656 AromaticContact CG-CD2 3.89Å; W560-H656 HydrophobicContact CH2-CB 4.03Å; W560-H656 HydrophobicContact CZ2-CB 4.13Å; W560-H656 HydrophobicContact CZ3-CB 3.81Å; W560-H656 AromaticContact CZ3-CG 3.62Å; W560-H656 AromaticContact CZ3-ND1 3.71Å; W560-R658 HydrophobicContact CZ2-CG 4.35Å; W560-Y680 WeakPolarHBondContact CZ2-OH 3.42Å
561	Q	84.2	Confident	74.9	Confident	61 Å²	61	61.6 Å²	61.6	29%	0.285	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-69.8	124.5	170.8	-175.1	178.1	-0.2	0	0	109	N563 S565 I566 H656 G661	Q561-N563 PolarHBondContact O-N 3.23Å; Q561-S565 WeakPolarHBondContact CG-OG 3.38Å; Q561-S565 PolarHBondContact NE2-O 3.46Å; Q561-S565 VanDerWaalsContact NE2-O 3.13Å; Q561-I566 HydrophobicContact CB-CD1 4.32Å; Q561-I566 HydrophobicContact CB-CG1 4.11Å; Q561-I566 HydrophobicContact CG-CD1 4.41Å; Q561-I566 HydrophobicContact CG-CG1 3.67Å; Q561-I566 WeakPolarHBondContact O-CD1 3.22Å; Q561-H656 PolarHBondContact O-NE2 3.41Å; Q561-G661 PolarHBondContact N-O 2.72Å
562	P	78	Confident	76.8	Confident	62 Å²	62	62.1 Å²	62.1	40%	0.403	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-56.7	136.3	176.9	-26.6	35.4	0	0	0	111.2	D553 W560 S564 S565 I566	D553-P562 WeakPolarHBondContact OD1-CA 3.32Å; D553-P562 WeakPolarHBondContact OD2-CB 3.29Å; W560-P562 WeakPolarHBondContact O-CD 3.25Å; P562-S564 WeakPolarHBondContact CB-OG 3.31Å; P562-S564 PolarHBondContact O-N 3.07Å; P562-S565 WeakPolarHBondContact O-CA 3.22Å; P562-S565 WeakPolarHBondContact O-CB 3.37Å; P562-S565 PolarHBondContact O-N 3.29Å; P562-S565 PolarHBondContact O-OG 3.23Å; P562-I566 PolarHBondContact O-N 2.96Å
563	N	72.4	Confident	78.4	Confident	19 Å²	19	67.6 Å²	67.6	10%	0.102	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-52.7	-37.6	179.5	-74.7	-74.8	0	0	0	112.4	D549 D553 Q561 S565 I566 H656	D549-N563 HydrophobicContact CB-CB 3.88Å; D549-N563 WeakPolarHBondContact OD1-CB 3.37Å; D553-N563 VanDerWaalsContact CG-N 3.34Å; D553-N563 VanDerWaalsContact OD1-CB 3.3Å; D553-N563 WeakPolarHBondContact OD1-CB 3.4Å; D553-N563 PolarHBondContact OD1-N 2.86Å; D553-N563 PolarHBondContact OD1-ND2 2.98Å; D553-N563 PolarHBondContact OD2-N 2.88Å; Q561-N563 PolarHBondContact O-N 3.23Å; N563-S565 PolarHBondContact O-N 3.31Å; N563-I566 PolarHBondContact O-N 3.45Å; N563-H656 PolarHBondContact OD1-CE1 2.97Å
564	S	71.7	Confident	79.3	Confident	89 Å²	89	69.7 Å²	69.7	62%	0.622	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-57.8	-21.8	172.4	47.9	0	0	0	0	114.7	D553 P562	D553-S564 PolarHBondContact OD2-N 3.09Å; D553-S564 PolarHBondContact OD2-OG 3.4Å; P562-S564 WeakPolarHBondContact CB-OG 3.31Å; P562-S564 PolarHBondContact O-N 3.07Å
565	S	80.5	Confident	80.7	Confident	52 Å²	52	72.1 Å²	72.1	36%	0.364	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-107.3	-6.7	178.4	74.7	0	0	0	0	114.5	Q561 P562 N563 K567	Q561-S565 WeakPolarHBondContact CG-OG 3.38Å; Q561-S565 PolarHBondContact NE2-O 3.46Å; Q561-S565 VanDerWaalsContact NE2-O 3.13Å; P562-S565 WeakPolarHBondContact O-CA 3.22Å; P562-S565 WeakPolarHBondContact O-CB 3.37Å; P562-S565 PolarHBondContact O-N 3.29Å; P562-S565 PolarHBondContact O-OG 3.23Å; N563-S565 PolarHBondContact O-N 3.31Å; S565-K567 PolarHBondContact O-N 3.29Å
566	I	82.3	Confident	81.6	Confident	8 Å²	8	68.8 Å²	68.8	4%	0.041	35%	0.354	C	S	.	.			trans	-81.4	85.2	178	-62.8	171.3	0	0	0	109.1	Q561 P562 N563 F576 K654 H656	Q561-I566 HydrophobicContact CB-CD1 4.32Å; Q561-I566 HydrophobicContact CB-CG1 4.11Å; Q561-I566 HydrophobicContact CG-CD1 4.41Å; Q561-I566 HydrophobicContact CG-CG1 3.67Å; Q561-I566 WeakPolarHBondContact O-CD1 3.22Å; P562-I566 PolarHBondContact O-N 2.96Å; N563-I566 PolarHBondContact O-N 3.45Å; I566-F576 HydrophobicContact CG2-CD2 3.61Å; I566-F576 HydrophobicContact CG2-CE2 3.41Å; I566-F576 VanDerWaalsContact CG2-CE2 3.41Å; I566-F576 HydrophobicContact CG2-CZ 4.43Å; I566-K654 HydrophobicContact CB-CD 4.3Å; I566-K654 HydrophobicContact CG2-CD 4.06Å; I566-K654 HydrophobicContact CG2-CG 4.36Å; I566-H656 WeakPolarHBondContact CD1-NE2 3.4Å
567	K	82.2	Confident	81.8	Confident	162 Å²	162	75.8 Å²	75.8	70%	0.704	38%	0.382	S	S	*	.			trans	-82.8	-34.7	175.4	-66	-169.6	176	-170.2	0	113.9	S565 E575 F576	S565-K567 PolarHBondContact O-N 3.29Å; K567-E575 WeakPolarHBondContact O-CA 3.33Å; K567-F576 PolarHBondContact O-N 2.89Å
568	A	88.1	Confident	80.6	Confident	31 Å²	31	76 Å²	76	26%	0.256	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-144.4	156.9	-176	0	0	0	0	0	111.8	A570 V574 E575	A568-A570 PolarHBondContact O-N 2.96Å; A568-V574 CarbonylContact C-O 3.58Å; A568-V574 WeakPolarHBondContact CA-O 3.37Å; A568-E575 HydrophobicContact CB-CG 4.26Å
569	C	91.2	Very high	78.8	Confident	1 Å²	1	67 Å²	67	1%	0.007	37%	0.37	C	S	.	.			trans	-62.1	124.6	175.5	174.2	0	0	0	0	110.7	V571 C572 K573 V574 F576 C665 C668	C569-V571 PolarHBondContact O-N 3.1Å; C569-V571 VanDerWaalsContact O-N 3.1Å; C569-C572 VanDerWaalsContact CB-SG 3.59Å; C569-C572 PolarHBondContact SG-SG 3.46Å; C569-K573 WeakPolarHBondContact O-CA 3.45Å; C569-K573 PolarHBondContact O-N 3.39Å; C569-V574 PolarHBondContact N-O 2.77Å; C569-F576 HydrophobicContact CB-CE2 4.26Å; C569-F576 HydrophobicContact CB-CZ 3.97Å; C569-F576 VanDerWaalsContact N-CE2 3.29Å; C569-C665 HydrophobicContact CB-CB 4.41Å; C569-C668 VanDerWaalsContact SG-CB 3.54Å
570	A	90	Very high	76.4	Confident	20 Å²	20	68.2 Å²	68.2	17%	0.165	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.7	-177.2	0	0	0	0	0	114	A568 K573 R662 G663 V664	A568-A570 PolarHBondContact O-N 2.96Å; A570-K573 PolarHBondContact O-NZ 2.8Å; A570-R662 HydrophobicContact CB-CB 3.73Å; A570-R662 HydrophobicContact CB-CG 4.42Å; A570-G663 VanDerWaalsContact CB-O 3.31Å; A570-G663 WeakPolarHBondContact CB-O 3.21Å; A570-G663 PolarHBondContact N-O 2.75Å; A570-V664 HydrophobicContact CB-CG1 4.08Å
571	V	89.5	Confident	73.8	Confident	34 Å²	34	72 Å²	72	21%	0.206	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-77.1	177	-178.4	0	0	0	0	110.4	C569 K573 V664 C668 C688 Q690	C569-V571 PolarHBondContact O-N 3.1Å; C569-V571 VanDerWaalsContact O-N 3.1Å; V571-K573 VanDerWaalsContact C-N 3.31Å; V571-K573 PolarHBondContact O-N 3.02Å; V571-V664 HydrophobicContact CG2-CG1 3.9Å; V571-C668 HydrophobicContact CB-CB 3.74Å; V571-C668 HydrophobicContact CG1-CB 4.16Å; V571-C668 HydrophobicContact CG2-CB 4.1Å; V571-C688 HydrophobicContact CG2-CB 3.94Å; V571-Q690 HydrophobicContact CG1-CG 4.42Å; V571-Q690 HydrophobicContact CG2-CG 4.16Å
572	C	91.2	Very high	71.1	Confident	58 Å²	58	77.6 Å²	77.6	39%	0.392	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-1.7	-172.3	66.4	0	0	0	0	116	C569 V574 C668	C569-C572 VanDerWaalsContact CB-SG 3.59Å; C569-C572 PolarHBondContact SG-SG 3.46Å; C572-V574 HydrophobicContact CB-CG2 4.43Å; C572-V574 PolarHBondContact O-N 3.14Å; C572-C668 VanDerWaalsContact CB-SG 3.51Å; C572-C668 PolarHBondContact SG-SG 3.45Å
573	K	89.6	Confident	68.7	Low	146 Å²	146	78.7 Å²	78.7	64%	0.635	45%	0.454	S	S	*	.			trans	61.2	3.8	179	-45.1	-53.1	-177.4	-173.6	0	116.6	C569 A570 V571 E575	C569-K573 WeakPolarHBondContact O-CA 3.45Å; C569-K573 PolarHBondContact O-N 3.39Å; A570-K573 PolarHBondContact O-NZ 2.8Å; V571-K573 VanDerWaalsContact C-N 3.31Å; V571-K573 PolarHBondContact O-N 3.02Å; K573-E575 PolarHBondContact O-N 3.32Å
574	V	85.2	Confident	66.7	Low	80 Å²	80	84.1 Å²	84.1	49%	0.485	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-58	128.2	170.7	176.3	0	0	0	0	109.6	A568 C569 C572	A568-V574 CarbonylContact C-O 3.58Å; A568-V574 WeakPolarHBondContact CA-O 3.37Å; C569-V574 PolarHBondContact N-O 2.77Å; C572-V574 HydrophobicContact CB-CG2 4.43Å; C572-V574 PolarHBondContact O-N 3.14Å
575	E	83.9	Confident	64.6	Low	143 Å²	143	85.4 Å²	85.4	67%	0.668	50%	0.495	S	S	*	.	B	Isolated β-bridge	trans	-70	138.9	177	-61.6	-162.5	132.1	0	0	111.4	K567 A568 K573	K567-E575 WeakPolarHBondContact O-CA 3.33Å; A568-E575 HydrophobicContact CB-CG 4.26Å; K573-E575 PolarHBondContact O-N 3.32Å
576	F	78.8	Confident	62	Low	19 Å²	19	88.5 Å²	88.5	8%	0.083	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-83.2	125.1	168	-59.7	-72.7	0	0	0	107.7	I566 K567 C569 G578 L652 K654 C665	I566-F576 HydrophobicContact CG2-CD2 3.61Å; I566-F576 HydrophobicContact CG2-CE2 3.41Å; I566-F576 VanDerWaalsContact CG2-CE2 3.41Å; I566-F576 HydrophobicContact CG2-CZ 4.43Å; K567-F576 PolarHBondContact O-N 2.89Å; C569-F576 HydrophobicContact CB-CE2 4.26Å; C569-F576 HydrophobicContact CB-CZ 3.97Å; C569-F576 VanDerWaalsContact N-CE2 3.29Å; F576-G578 PolarHBondContact O-N 3.32Å; F576-L652 WeakPolarHBondContact CD1-O 3.22Å; F576-K654 HydrophobicContact CB-CG 4.12Å; F576-K654 HydrophobicContact CD1-CG 3.77Å; F576-K654 HydrophobicContact CD2-CG 3.99Å; F576-K654 HydrophobicContact CE1-CG 4.09Å; F576-K654 HydrophobicContact CE2-CG 4.29Å; F576-K654 HydrophobicContact CG-CD 4.46Å; F576-K654 HydrophobicContact CG-CG 3.7Å; F576-K654 HydrophobicContact CZ-CG 4.33Å; F576-C665 HydrophobicContact CE1-CB 3.87Å; F576-C665 HydrophobicContact CZ-CB 4.26Å
577	Q	62.8	Low	59.5	Low	176 Å²	176	99.6 Å²	99.6	82%	0.822	56%	0.558	S	S	*	*			trans	-53.5	111.5	-171.3	-75	175.5	-12.1	0	0	112.3	L652	Q577-L652 HydrophobicContact CG-CD2 3.87Å
578	G	48.7	Very low	57.1	Low	56 Å²	56	97.6 Å²	97.6	58%	0.577	56%	0.564	S	S	*	*			trans	-79.2	146.5	178.3	0	0	0	0	0	112.2	F576 S580	F576-G578 PolarHBondContact O-N 3.32Å; G578-S580 VanDerWaalsContact C-N 3.26Å; G578-S580 PolarHBondContact O-N 2.87Å
579	S	35.5	Very low	54.4	Low	72 Å²	72	101.6 Å²	101.6	50%	0.503	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.3	63.5	-179.2	73.6	0	0	0	0	111.9	R546	R546-S579 PolarHBondContact NH2-OG 3.35Å
580	S	32.8	Very low	51.6	Low	94 Å²	94	108.7 Å²	108.7	66%	0.657	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.5	-15.4	-173.8	49.9	0	0	0	0	116.7	G578	G578-S580 VanDerWaalsContact C-N 3.26Å; G578-S580 PolarHBondContact O-N 2.87Å
581	D	30.4	Very low	48.8	Very low	130 Å²	130	115.9 Å²	115.9	70%	0.695	66%	0.66	S	S	*	*			trans	-118.1	68	-173	-67.9	-77.1	0	0	0	112.8	S583	D581-S583 PolarHBondContact O-N 3.46Å
582	D	27.9	Very low	46.1	Very low	178 Å²	178	124 Å²	124	95%	0.952	69%	0.687	S	S	*	*			trans	-75.6	66.6	162.7	-82	-49.4	0	0	0	110.2
583	S	28.5	Very low	43.4	Very low	85 Å²	85	128.1 Å²	128.1	59%	0.594	70%	0.7	S	S	*	*			trans	-151.8	159.9	170.2	80.5	0	0	0	0	113.1	D581	D581-S583 PolarHBondContact O-N 3.46Å
584	V	30.8	Very low	40.7	Very low	133 Å²	133	130 Å²	130	81%	0.806	71%	0.708	S	S	*	*			trans	62.5	76.3	-179.7	-165.9	0	0	0	0	113.5
585	C	26.2	Very low	38.3	Very low	116 Å²	116	130.9 Å²	130.9	78%	0.784	72%	0.718	S	S	*	*				75	128.5	74.4	-169	0	0	0	0	115.1	R587	C585-R587 PolarHBondContact O-N 3.38Å
586	S	26.1	Very low	36	Very low	116 Å²	116	129.6 Å²	129.6	81%	0.811	72%	0.72	S	S	*	*			trans	-41.3	118.6	173.6	-52.6	0	0	0	0	114.8
587	R	29.4	Very low	34.1	Very low	242 Å²	242	134.5 Å²	134.5	91%	0.913	75%	0.752	S	S	*	*			trans	-148	90.7	161	-126.9	169.8	-178.4	179.2	-0.6	113.9	C585 S589	C585-R587 PolarHBondContact O-N 3.38Å; R587-S589 PolarHBondContact O-N 2.78Å
588	S	31.7	Very low	32.9	Very low	120 Å²	120	131.4 Å²	131.4	84%	0.839	74%	0.741	S	S	*	*			trans	-61.7	114.7	158.2	49.4	0	0	0	0	109.4	L590	S588-L590 PolarHBondContact O-N 3.13Å
589	S	31.4	Very low	32.4	Very low	114 Å²	114	136.9 Å²	136.9	80%	0.797	75%	0.748	S	S	*	*			trans	-79	109.9	170.8	-172.7	0	0	0	0	109.7	R587	R587-S589 PolarHBondContact O-N 2.78Å
590	L	32.8	Very low	32.5	Very low	150 Å²	150	141.4 Å²	141.4	79%	0.785	76%	0.759	S	S	*	*			trans	179.5	126.3	136.9	-96.3	157.9	0	0	0	111.4	S588	S588-L590 PolarHBondContact O-N 3.13Å
591	M	31.3	Very low	32.7	Very low	172 Å²	172	145 Å²	145	85%	0.847	77%	0.765	S	S	*	*			trans	63.3	108.1	157.5	-70.2	-153	166.1	0	0	122
592	R	32.6	Very low	33	Very low	205 Å²	205	142.9 Å²	142.9	77%	0.774	76%	0.76	S	S	*	*				114.5	102.4	111.7	-164	170.6	-178.6	167.5	0.3	119.6
593	Q	34.1	Very low	33.2	Very low	143 Å²	143	139.8 Å²	139.8	67%	0.668	75%	0.748	S	S	*	*			trans	81	119.6	143.3	-71.8	171.5	-41.8	0	0	122.4
594	K	34.2	Very low	33.5	Very low	187 Å²	187	143.4 Å²	143.4	81%	0.813	76%	0.76	S	S	*	*			trans	59.8	107.2	137.4	-76.4	-171.5	174.3	-172	0	119.2
595	S	33.5	Very low	33.7	Very low	97 Å²	97	141.9 Å²	141.9	68%	0.678	76%	0.755	S	S	*	*				88.1	137	87.3	69.1	0	0	0	0	113.2
596	T	37.2	Very low	34.1	Very low	116 Å²	116	141.2 Å²	141.2	71%	0.712	76%	0.758	S	S	*	*			cis	-170.8	153.5	7	9.9	0	0	0	0	110
597	T	37.7	Very low	34.6	Very low	123 Å²	123	139 Å²	139	76%	0.755	75%	0.753	S	S	*	*			trans	54.4	143.9	148.3	54.1	0	0	0	0	121.1
598	D	37.9	Very low	34.8	Very low	111 Å²	111	134.9 Å²	134.9	59%	0.594	75%	0.749	S	S	*	*			cis	-164.8	168	-6.5	-139.3	-19.5	0	0	0	111.4
599	K	39.2	Very low	35.2	Very low	170 Å²	170	136.3 Å²	136.3	74%	0.739	75%	0.748	S	S	*	*			trans	42.3	143.5	147.9	-73.5	154	-168.5	147.2	0	121.7
600	K	37.9	Very low	35.3	Very low	167 Å²	167	136 Å²	136	73%	0.726	75%	0.746	S	S	*	*			cis	161.4	126.1	6.8	172.8	-172.3	-178.9	-171.8	0	107.8
601	H	36	Very low	35.8	Very low	170 Å²	170	134.2 Å²	134.2	79%	0.787	74%	0.743	S	S	*	*			trans	65.9	156.8	155.9	-75.5	-126.6	0	0	0	119.9
602	S	36.3	Very low	36.2	Very low	85 Å²	85	133.1 Å²	133.1	59%	0.594	74%	0.736	S	S	*	*			cis	-169.4	157	-18.1	49.7	0	0	0	0	114
603	T	33	Very low	36.4	Very low	114 Å²	114	130.6 Å²	130.6	70%	0.699	73%	0.731	S	S	*	*			trans	65.5	130.7	147	41.7	0	0	0	0	123.2
604	L	34.1	Very low	36.7	Very low	160 Å²	160	129 Å²	129	84%	0.838	73%	0.726	S	S	*	*			trans	71.8	148.8	145.6	-63.1	165.9	0	0	0	117.7
605	S	35.6	Very low	37	Very low	101 Å²	101	128.2 Å²	128.2	71%	0.706	72%	0.723	S	S	*	*			cis	-169.7	152	-8.9	45.4	0	0	0	0	113.8
606	A	35	Very low	37.2	Very low	103 Å²	103	128 Å²	128	85%	0.851	73%	0.727	S	S	*	*			trans	70.3	146	146.6	0	0	0	0	0	122.3
607	G	35.6	Very low	37.3	Very low	68 Å²	68	127 Å²	127	70%	0.701	73%	0.725	S	S	*	*			trans	78.7	152.1	163.3	0	0	0	0	0	117.5
608	D	34	Very low	37.3	Very low	156 Å²	156	127.9 Å²	127.9	83%	0.834	73%	0.73	S	S	*	*			cis	-168.4	-179.2	-34.6	-124	-45.2	0	0	0	108.5
609	D	39.1	Very low	37.1	Very low	151 Å²	151	126.1 Å²	126.1	81%	0.807	74%	0.738	S	S	*	*			trans	72.2	160.2	162.6	-84.5	-38.9	0	0	0	122
610	S	33.9	Very low	37	Very low	108 Å²	108	126.7 Å²	126.7	76%	0.755	74%	0.741	S	S	*	*			trans	-154.7	-165.5	177.3	-61.3	0	0	0	0	106.5
611	P	43.8	Very low	36.9	Very low	111 Å²	111	124.2 Å²	124.2	72%	0.721	74%	0.735	S	S	*	*			cis	-132.2	-145.6	-11.8	37.1	-14.2	0	0	0	111.8
612	Q	38.5	Very low	36.9	Very low	150 Å²	150	123.3 Å²	123.3	70%	0.701	74%	0.736	S	S	*	*			trans	80.6	147.5	170.8	-57.1	-161.5	10.6	0	0	116.1
613	K	38.3	Very low	36.8	Very low	152 Å²	152	124.4 Å²	124.4	66%	0.661	74%	0.744	S	S	*	*			cis	-161.9	173.2	1	-130.3	176.4	-174.2	147.3	0	113.1
614	D	40.8	Very low	36.6	Very low	108 Å²	108	126.2 Å²	126.2	58%	0.578	75%	0.748	S	S	*	*			trans	67.3	149.8	152.1	-70.5	3.4	0	0	0	118.7
615	K	39.5	Very low	36.6	Very low	171 Å²	171	126.1 Å²	126.1	74%	0.743	75%	0.748	S	S	*	*			cis	-163.1	149	-5.1	-118	163.8	-173.1	140.1	0	111.7
616	A	38.4	Very low	36.3	Very low	93 Å²	93	128.3 Å²	128.3	77%	0.769	75%	0.752	S	S	*	*			trans	55.4	153.5	144	0	0	0	0	0	121.7
617	S	37.8	Very low	36.1	Very low	96 Å²	96	135.1 Å²	135.1	67%	0.671	76%	0.755	S	S	*	*			cis	-174.3	145	-20.1	50.6	0	0	0	0	111.1
618	T	37.8	Very low	35.8	Very low	140 Å²	140	137.2 Å²	137.2	86%	0.859	76%	0.759	S	S	*	*			trans	43.1	137.6	149.2	56.7	0	0	0	0	122
619	G	34.4	Very low	35.8	Very low	74 Å²	74	135.3 Å²	135.3	76%	0.763	76%	0.758	S	S	*	*			cis	157.1	168.7	-6.9	0	0	0	0	0	114.8
620	K	37.8	Very low	35.4	Very low	183 Å²	183	132.1 Å²	132.1	80%	0.796	75%	0.748	S	S	*	*			trans	78.7	143.3	153.3	-99.9	-177.1	151	-77.2	0	124.1
621	D	36.2	Very low	35.3	Very low	114 Å²	114	136 Å²	136	61%	0.61	75%	0.751	S	S	*	*			trans	69.5	93.8	147	-56.1	-22.1	0	0	0	123.4
622	N	33.9	Very low	34.8	Very low	151 Å²	151	135.7 Å²	135.7	81%	0.807	75%	0.751	S	S	*	*			trans	8.8	132.3	133.4	-57.4	-27.6	0	0	0	120.5
623	S	34.4	Very low	34.4	Very low	109 Å²	109	133.9 Å²	133.9	76%	0.762	75%	0.747	S	S	*	*				153.9	132.2	106	57.7	0	0	0	0	115.5
624	I	30.6	Very low	34.1	Very low	151 Å²	151	131.7 Å²	131.7	77%	0.774	75%	0.751	S	S	*	*			trans	33.7	116	144.7	-38.5	169.9	0	0	0	118.9
625	L	32.2	Very low	33.7	Very low	159 Å²	159	132.7 Å²	132.7	83%	0.832	76%	0.755	S	S	*	*				-177.8	153.6	113.7	-97.9	172	0	0	0	115.4
626	N	29.3	Very low	33.1	Very low	147 Å²	147	131.9 Å²	131.9	79%	0.786	76%	0.759	S	S	*	*			trans	-72	151.8	-176.3	-56.4	-47.1	0	0	0	113.5
627	R	31.2	Very low	32.7	Very low	246 Å²	246	135.9 Å²	135.9	93%	0.928	76%	0.759	S	S	*	*				-160.4	146.7	115.1	-113.4	174.2	179.7	-158.1	-2	115.2
628	S	30.6	Very low	32.3	Very low	111 Å²	111	137.7 Å²	137.7	78%	0.776	76%	0.757	S	S	*	*			trans	-78.8	150.2	-177.4	50.9	0	0	0	0	115.2
629	S	34	Very low	32	Very low	117 Å²	117	138.5 Å²	138.5	82%	0.818	75%	0.748	S	S	*	*			trans	-158.7	149.7	136.3	55.7	0	0	0	0	113.3
630	S	30	Very low	31.6	Very low	84 Å²	84	140.2 Å²	140.2	59%	0.587	75%	0.749	S	S	*	*			trans	-49.8	158.5	174.7	48.4	0	0	0	0	117.6
631	F	32.1	Very low	31.1	Very low	189 Å²	189	136.8 Å²	136.8	83%	0.829	75%	0.748	S	S	*	*				175.4	152.7	109.4	-95.6	-67.2	0	0	0	114.3
632	S	33.7	Very low	31.1	Very low	104 Å²	104	138.2 Å²	138.2	73%	0.727	76%	0.761	S	S	*	*			trans	31	123.2	157.8	54.2	0	0	0	0	120.7
633	D	29.2	Very low	31	Very low	113 Å²	113	140.7 Å²	140.7	60%	0.604	76%	0.764	S	S	*	*				63.8	93.3	63.3	-160.1	18	0	0	0	114.2	M1	M1-D633 PolarHBondContact N-OD2 2.79Å
634	S	33	Very low	30.7	Very low	106 Å²	106	141.4 Å²	141.4	74%	0.741	77%	0.767	S	S	*	*			trans	-177.5	123.8	151.1	-87.4	0	0	0	0	117
635	L	32.3	Very low	30.8	Very low	129 Å²	129	142.3 Å²	142.3	68%	0.675	77%	0.772	S	S	*	*				51	97.1	129.9	-61.5	169.6	0	0	0	122.2	M1	M1-L635 HydrophobicContact CE-CD2 3.61Å; M1-L635 HydrophobicContact CE-CG 4.45Å
636	N	27.1	Very low	30.6	Very low	153 Å²	153	144.1 Å²	144.1	82%	0.818	77%	0.773	S	S	*	*				25.5	129.2	111.5	-111.5	-27.9	0	0	0	121.3
637	K	28.8	Very low	30.6	Very low	177 Å²	177	142.6 Å²	142.6	77%	0.77	77%	0.771	S	S	*	*			trans	94.5	140.5	135.8	-145.7	-179.2	-175.3	179.2	0	119.8
638	E	30.8	Very low	30.6	Very low	134 Å²	134	141 Å²	141	63%	0.626	77%	0.772	S	S	*	*			trans	73.3	151.7	171.6	-48.7	-143.4	151.3	0	0	117
639	K	30.2	Very low	30.7	Very low	157 Å²	157	141.5 Å²	141.5	68%	0.683	76%	0.764	S	S	*	*			cis	-162.7	153.9	-22.8	-109.8	175	-166.2	146.4	0	109
640	S	26.8	Very low	31.2	Very low	111 Å²	111	142.5 Å²	142.5	78%	0.776	76%	0.761	S	S	*	*			trans	47.9	112.7	145.1	178.2	0	0	0	0	121.4
641	S	27.4	Very low	32	Very low	110 Å²	110	140.7 Å²	140.7	77%	0.769	74%	0.744	S	S	*	*				151.7	97.7	110.8	-170.9	0	0	0	0	115.2
642	T	35.4	Very low	33.1	Very low	144 Å²	144	135.5 Å²	135.5	88%	0.883	72%	0.724	S	S	*	*			trans	-147.1	150.1	153.5	33	0	0	0	0	110.1
643	K	31.8	Very low	34.7	Very low	203 Å²	203	132 Å²	132	88%	0.883	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-69.4	152.2	-159.3	-68.2	167.5	-179	170.5	0	114.4
644	P	28.1	Very low	37.1	Very low	125 Å²	125	130.1 Å²	130.1	81%	0.812	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-84	150.1	-170	33.8	-37	0	0	0	114.6
645	L	31.9	Very low	39.6	Very low	170 Å²	170	126.9 Å²	126.9	89%	0.89	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-98.7	137.8	161.8	-68.4	170.2	0	0	0	109.5
646	K	28.8	Very low	42.3	Very low	196 Å²	196	121.3 Å²	121.3	85%	0.852	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-74.1	145.6	174.1	-74.3	-176	176.3	-178.6	0	110.5	F648	K646-F648 PolarHBondContact O-N 3.43Å
647	P	29.1	Very low	45.4	Very low	115 Å²	115	114 Å²	114	75%	0.747	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-64	134.3	168.2	28.2	-33.5	0	0	0	110.1	I649	P647-I649 PolarHBondContact O-N 2.72Å
648	F	31.1	Very low	48.3	Very low	213 Å²	213	109 Å²	109	93%	0.934	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-68.3	124.9	168.7	-108.5	-102	0	0	0	108.9	K646	K646-F648 PolarHBondContact O-N 3.43Å
649	I	33	Very low	51	Low	122 Å²	122	103.3 Å²	103.3	63%	0.626	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-95.7	117.1	177.8	-51.5	179	0	0	0	108	P647 D651	P647-I649 PolarHBondContact O-N 2.72Å; I649-D651 HydrophobicContact CG2-CB 3.96Å; I649-D651 VanDerWaalsContact CG2-OD2 3.26Å; I649-D651 WeakPolarHBondContact CG2-OD2 3.41Å; I649-D651 PolarHBondContact O-N 2.66Å
650	D	44.6	Very low	53.9	Low	138 Å²	138	97.5 Å²	97.5	74%	0.738	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-75.5	18.4	-171.9	-155.1	17.9	0	0	0	114.4	L652 S653	D650-L652 PolarHBondContact O-N 3.48Å; D650-S653 PolarHBondContact O-OG 2.98Å; D650-S653 VanDerWaalsContact O-OG 3.05Å
651	D	46.6	Very low	56.9	Low	45 Å²	45	92.2 Å²	92.2	24%	0.241	49%	0.485	C	S	.	.	G	3₁₀ helix	trans	-71	-26	-169.7	-94.4	-30.7	0	0	0	114.6	I649 C665 K667	I649-D651 HydrophobicContact CG2-CB 3.96Å; I649-D651 VanDerWaalsContact CG2-OD2 3.26Å; I649-D651 WeakPolarHBondContact CG2-OD2 3.41Å; I649-D651 PolarHBondContact O-N 2.66Å; D651-C665 WeakPolarHBondContact O-CB 3.25Å; D651-K667 VanDerWaalsContact CG-NZ 3.31Å; D651-K667 WeakPolarHBondContact OD1-CD 3.32Å; D651-K667 WeakPolarHBondContact OD1-CE 3.34Å; D651-K667 WeakPolarHBondContact OD1-CG 3.36Å; D651-K667 IonicContact OD1-NZ 3.81Å; D651-K667 PolarHBondContact OD1-NZ 2.74Å; D651-K667 WeakPolarHBondContact OD2-CE 3.33Å; D651-K667 IonicContact OD2-NZ 2.7Å; D651-K667 PolarHBondContact OD2-NZ 2.92Å
652	L	56.6	Low	59.9	Low	80 Å²	80	93.2 Å²	93.2	42%	0.419	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-95.9	13.2	-171.1	-78.1	81.7	0	0	0	113.6	F576 Q577 D650	F576-L652 WeakPolarHBondContact CD1-O 3.22Å; Q577-L652 HydrophobicContact CG-CD2 3.87Å; D650-L652 PolarHBondContact O-N 3.48Å
653	S	66.6	Low	62.5	Low	30 Å²	30	86.4 Å²	86.4	21%	0.21	43%	0.43	C	S	.	.			trans	-69.1	131	177.2	49.2	0	0	0	0	112.3	D650 H655 C665	D650-S653 PolarHBondContact O-OG 2.98Å; D650-S653 VanDerWaalsContact O-OG 3.05Å; S653-H655 PolarHBondContact OG-CE1 3.21Å; S653-C665 WeakPolarHBondContact O-CA 3.47Å
654	K	78.4	Confident	65.3	Low	74 Å²	74	76.7 Å²	76.7	32%	0.322	39%	0.388	S	S	.	.			trans	-72.7	131.6	174	-74.6	-169.4	-93.2	161.1	0	110.4	D549 I566 F576	D549-K654 IonicContact OD1-NZ 2.69Å; D549-K654 PolarHBondContact OD1-NZ 2.83Å; D549-K654 VanDerWaalsContact OD1-NZ 3.08Å; D549-K654 IonicContact OD2-NZ 2.74Å; D549-K654 PolarHBondContact OD2-NZ 3.11Å; I566-K654 HydrophobicContact CB-CD 4.3Å; I566-K654 HydrophobicContact CG2-CD 4.06Å; I566-K654 HydrophobicContact CG2-CG 4.36Å; F576-K654 HydrophobicContact CB-CG 4.12Å; F576-K654 HydrophobicContact CD1-CG 3.77Å; F576-K654 HydrophobicContact CD2-CG 3.99Å; F576-K654 HydrophobicContact CE1-CG 4.09Å; F576-K654 HydrophobicContact CE2-CG 4.29Å; F576-K654 HydrophobicContact CG-CD 4.46Å; F576-K654 HydrophobicContact CG-CG 3.7Å; F576-K654 HydrophobicContact CZ-CG 4.33Å
655	H	86	Confident	68.3	Low	38 Å²	38	71.1 Å²	71.1	18%	0.176	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	143.7	171.5	-53.5	-28	0	0	0	111.9	S653 G663 V664 R686	S653-H655 PolarHBondContact OG-CE1 3.21Å; H655-G663 CarbonylContact O-C 3.55Å; H655-G663 WeakPolarHBondContact O-CA 3.3Å; H655-V664 WeakPolarHBondContact CA-O 3.33Å; H655-V664 WeakPolarHBondContact CB-O 3.4Å; H655-V664 PolarHBondContact N-O 2.71Å; H655-V664 WeakPolarHBondContact O-CG2 3.46Å; H655-V664 PolarHBondContact O-N 3.25Å; H655-V664 VanDerWaalsContact O-O 3.1Å; H655-R686 PolarHBondContact CD2-NH2 2.94Å; H655-R686 PolarHBondContact NE2-NH2 2.87Å; H655-R686 VanDerWaalsContact NE2-NH2 3.18Å
656	H	89	Confident	70.8	Confident	13 Å²	13	64.5 Å²	64.5	6%	0.06	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	136.5	169.2	-62.5	73.4	0	0	0	112.4	W560 Q561 N563 I566 R658 G661	W560-H656 HydrophobicContact CD2-CB 3.81Å; W560-H656 AromaticContact CD2-CD2 3.67Å; W560-H656 AromaticContact CD2-CG 3.75Å; W560-H656 HydrophobicContact CE3-CB 3.7Å; W560-H656 AromaticContact CE3-CD2 3.38Å; W560-H656 AromaticContact CE3-CE1 3.92Å; W560-H656 AromaticContact CE3-CG 3.28Å; W560-H656 AromaticContact CE3-ND1 3.67Å; W560-H656 AromaticContact CE3-NE2 3.77Å; W560-H656 AromaticContact CG-CD2 3.89Å; W560-H656 HydrophobicContact CH2-CB 4.03Å; W560-H656 HydrophobicContact CZ2-CB 4.13Å; W560-H656 HydrophobicContact CZ3-CB 3.81Å; W560-H656 AromaticContact CZ3-CG 3.62Å; W560-H656 AromaticContact CZ3-ND1 3.71Å; Q561-H656 PolarHBondContact O-NE2 3.41Å; N563-H656 PolarHBondContact OD1-CE1 2.97Å; I566-H656 WeakPolarHBondContact CD1-NE2 3.4Å; H656-R658 PolarHBondContact O-N 3.16Å; H656-R658 PolarHBondContact O-NH1 3.23Å; H656-G661 PolarHBondContact CD2-O 3.02Å
657	C	91.6	Very high	73.5	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.309	C	S	.	.			trans	-71.3	122	164.3	173.1	0	0	0	0	109.9	A659 C660 G661 R662 V664 C688	C657-A659 PolarHBondContact O-N 3.31Å; C657-A659 PolarHBondContact SG-N 3.46Å; C657-A659 VanDerWaalsContact SG-N 3.43Å; C657-C660 PolarHBondContact O-N 3.19Å; C657-C660 PolarHBondContact SG-N 3.02Å; C657-C660 PolarHBondContact SG-SG 3.22Å; C657-G661 VanDerWaalsContact O-CA 3.31Å; C657-G661 WeakPolarHBondContact O-CA 3.47Å; C657-G661 PolarHBondContact O-N 3.46Å; C657-R662 PolarHBondContact N-O 2.72Å; C657-V664 HydrophobicContact CB-CG2 4.46Å; C657-C688 HydrophobicContact CB-CB 4.05Å; C657-C688 PolarHBondContact SG-N 2.87Å; C657-C688 VanDerWaalsContact SG-SG 3.61Å
658	R	90.7	Very high	76.5	Confident	71 Å²	71	56.7 Å²	56.7	27%	0.268	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-20.4	-179.5	-80.8	70.9	176.2	162.6	-2.7	113.4	Y559 W560 H656 V675 Y680 V685 R686	Y559-R658 PolarHBondContact OH-O 3.42Å; W560-R658 HydrophobicContact CZ2-CG 4.35Å; H656-R658 PolarHBondContact O-N 3.16Å; H656-R658 PolarHBondContact O-NH1 3.23Å; R658-V675 HydrophobicContact CB-CG2 4.41Å; R658-Y680 HydrophobicContact CB-CD2 4.26Å; R658-Y680 HydrophobicContact CB-CE2 3.92Å; R658-Y680 HydrophobicContact CG-CD1 4.39Å; R658-Y680 HydrophobicContact CG-CE1 3.85Å; R658-Y680 HydrophobicContact CG-CE2 4.05Å; R658-V685 HydrophobicContact CB-CB 4.12Å; R658-V685 HydrophobicContact CB-CG2 3.66Å; R658-V685 HydrophobicContact CG-CB 4.05Å; R658-V685 HydrophobicContact CG-CG2 4.12Å; R658-R686 WeakPolarHBondContact CD-O 3.39Å; R658-R686 PolarHBondContact N-O 3.08Å
659	A	88	Confident	79.3	Confident	14 Å²	14	46.6 Å²	46.6	12%	0.116	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-33.1	177.6	0	0	0	0	0	115	C657 V675 V687 C691	C657-A659 PolarHBondContact O-N 3.31Å; C657-A659 PolarHBondContact SG-N 3.46Å; C657-A659 VanDerWaalsContact SG-N 3.43Å; A659-V675 HydrophobicContact CB-CG1 4.45Å; A659-V675 HydrophobicContact CB-CG2 4.31Å; A659-V687 HydrophobicContact CB-CG1 3.7Å; A659-C691 HydrophobicContact CB-CB 3.96Å
660	C	91.1	Very high	81.9	Confident	35 Å²	35	45.9 Å²	45.9	24%	0.236	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.5	2.9	-174.8	72.6	0	0	0	0	115.1	C657 R662 C691	C657-C660 PolarHBondContact O-N 3.19Å; C657-C660 PolarHBondContact SG-N 3.02Å; C657-C660 PolarHBondContact SG-SG 3.22Å; C660-R662 PolarHBondContact O-N 3.28Å; C660-C691 VanDerWaalsContact SG-SG 3.66Å
661	G	88.2	Confident	83.8	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.01	20%	0.201	C	C	.	.			trans	71.6	-9.8	173.5	0	0	0	0	0	116.2	Q561 H656 C657	Q561-G661 PolarHBondContact N-O 2.72Å; H656-G661 PolarHBondContact CD2-O 3.02Å; C657-G661 VanDerWaalsContact O-CA 3.31Å; C657-G661 WeakPolarHBondContact O-CA 3.47Å; C657-G661 PolarHBondContact O-N 3.46Å
662	R	91.6	Very high	85.9	Confident	131 Å²	131	45.2 Å²	45.2	49%	0.494	22%	0.219	S	C	.	.			trans	-70.9	149.4	-177.7	-59.7	178.1	-174.8	164.4	0.3	112.5	A570 C657 C660	A570-R662 HydrophobicContact CB-CB 3.73Å; A570-R662 HydrophobicContact CB-CG 4.42Å; C657-R662 PolarHBondContact N-O 2.72Å; C660-R662 PolarHBondContact O-N 3.28Å
663	G	89.5	Confident	87.3	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	132.1	173	0	0	0	0	0	113.4	A570 H655	A570-G663 VanDerWaalsContact CB-O 3.31Å; A570-G663 WeakPolarHBondContact CB-O 3.21Å; A570-G663 PolarHBondContact N-O 2.75Å; H655-G663 CarbonylContact O-C 3.55Å; H655-G663 WeakPolarHBondContact O-CA 3.3Å
664	V	91.5	Very high	88.2	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	153.4	-177.8	-73.4	0	0	0	0	111.3	A570 V571 H655 C657 C668 C688	A570-V664 HydrophobicContact CB-CG1 4.08Å; V571-V664 HydrophobicContact CG2-CG1 3.9Å; H655-V664 WeakPolarHBondContact CA-O 3.33Å; H655-V664 WeakPolarHBondContact CB-O 3.4Å; H655-V664 PolarHBondContact N-O 2.71Å; H655-V664 WeakPolarHBondContact O-CG2 3.46Å; H655-V664 PolarHBondContact O-N 3.25Å; H655-V664 VanDerWaalsContact O-O 3.1Å; C657-V664 HydrophobicContact CB-CG2 4.46Å; V664-C668 HydrophobicContact CB-CB 4.41Å; V664-C688 HydrophobicContact CB-CB 4.43Å; V664-C688 HydrophobicContact CG1-CB 3.74Å; V664-C688 HydrophobicContact CG2-CB 4.18Å
665	C	89.7	Confident	88.4	Confident	8 Å²	8	39.7 Å²	39.7	5%	0.054	19%	0.194	C	C	.	.			trans	-84.8	170.1	176.9	64.5	0	0	0	0	112	C569 F576 D651 S653 K667 C668 S669	C569-C665 HydrophobicContact CB-CB 4.41Å; F576-C665 HydrophobicContact CE1-CB 3.87Å; F576-C665 HydrophobicContact CZ-CB 4.26Å; D651-C665 WeakPolarHBondContact O-CB 3.25Å; S653-C665 WeakPolarHBondContact O-CA 3.47Å; C665-K667 VanDerWaalsContact C-N 3.31Å; C665-K667 PolarHBondContact O-N 3.13Å; C665-C668 CarbonylContact O-C 3.58Å; C665-C668 PolarHBondContact O-N 3.16Å; C665-S669 PolarHBondContact O-N 3.02Å; C665-S669 PolarHBondContact O-OG 2.87Å
666	A	84.6	Confident	88	Confident	30 Å²	30	42 Å²	42	25%	0.248	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-52.5	-46.4	177.5	0	0	0	0	0	112.7	C668 S669	A666-C668 PolarHBondContact O-N 2.89Å; A666-S669 PolarHBondContact O-N 3.25Å
667	K	86.7	Confident	87.5	Confident	136 Å²	136	45.2 Å²	45.2	59%	0.591	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-61.7	-23.4	176.5	-89.2	173.9	172.1	161.9	0	115.4	D651 C665	D651-K667 VanDerWaalsContact CG-NZ 3.31Å; D651-K667 WeakPolarHBondContact OD1-CD 3.32Å; D651-K667 WeakPolarHBondContact OD1-CE 3.34Å; D651-K667 WeakPolarHBondContact OD1-CG 3.36Å; D651-K667 IonicContact OD1-NZ 3.81Å; D651-K667 PolarHBondContact OD1-NZ 2.74Å; D651-K667 WeakPolarHBondContact OD2-CE 3.33Å; D651-K667 IonicContact OD2-NZ 2.7Å; D651-K667 PolarHBondContact OD2-NZ 2.92Å; C665-K667 VanDerWaalsContact C-N 3.31Å; C665-K667 PolarHBondContact O-N 3.13Å
668	C	91.7	Very high	86.8	Confident	12 Å²	12	48.8 Å²	48.8	8%	0.081	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-110.1	22.5	-176.7	-71	0	0	0	0	113.3	C569 V571 C572 V664 C665 A666 C688 D689	C569-C668 VanDerWaalsContact SG-CB 3.54Å; V571-C668 HydrophobicContact CB-CB 3.74Å; V571-C668 HydrophobicContact CG1-CB 4.16Å; V571-C668 HydrophobicContact CG2-CB 4.1Å; C572-C668 VanDerWaalsContact CB-SG 3.51Å; C572-C668 PolarHBondContact SG-SG 3.45Å; V664-C668 HydrophobicContact CB-CB 4.41Å; C665-C668 CarbonylContact O-C 3.58Å; C665-C668 PolarHBondContact O-N 3.16Å; A666-C668 PolarHBondContact O-N 2.89Å; C668-C688 VanDerWaalsContact O-CA 3.28Å; C668-C688 WeakPolarHBondContact O-CA 3.47Å; C668-C688 WeakPolarHBondContact O-CB 3.36Å; C668-D689 WeakPolarHBondContact CA-OD2 3.5Å; C668-D689 PolarHBondContact O-N 3.17Å
669	S	89.5	Confident	85.9	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.007	27%	0.267	C	S	.	.			trans	-151.9	46.6	-179.5	57.6	0	0	0	0	111.8	C665 A666 R686 V687 D689	C665-S669 PolarHBondContact O-N 3.02Å; C665-S669 PolarHBondContact O-OG 2.87Å; A666-S669 PolarHBondContact O-N 3.25Å; S669-R686 WeakPolarHBondContact O-CG 3.38Å; S669-R686 PolarHBondContact O-NH1 3.2Å; S669-R686 PolarHBondContact OG-NH1 3.19Å; S669-V687 CarbonylContact C-O 3.54Å; S669-V687 WeakPolarHBondContact CA-O 2.94Å; S669-V687 VanDerWaalsContact CB-O 3.23Å; S669-V687 WeakPolarHBondContact CB-O 3.27Å; S669-D689 PolarHBondContact N-OD2 2.84Å
670	T	86.8	Confident	85.2	Confident	106 Å²	106	51 Å²	51	65%	0.65	27%	0.273	S	S	*	.			trans	-74.3	-34.8	-179.5	65.5	0	0	0	0	111.4	D689	T670-D689 PolarHBondContact N-OD1 2.82Å; T670-D689 PolarHBondContact OG1-OD1 3.4Å
671	G	85	Confident	84.4	Confident	3 Å²	3	51.1 Å²	51.1	3%	0.031	28%	0.28	C	S	.	.			trans	-65.7	140.4	-179.6	0	0	0	0	0	114.7	V687 D689 Y692	G671-V687 WeakPolarHBondContact O-CG2 3.41Å; G671-V687 PolarHBondContact O-N 3.08Å; G671-D689 PolarHBondContact N-OD1 3.01Å; G671-Y692 VanDerWaalsContact CA-CD2 3.46Å
672	R	90.8	Very high	83.9	Confident	166 Å²	166	55.9 Å²	55.9	63%	0.626	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.3	127.2	168.5	-78.7	179.5	173.4	-105.8	11.5	110.1	G684 V685 Y692	R672-G684 WeakPolarHBondContact CD-O 3.28Å; R672-G684 PolarHBondContact NH1-O 2.76Å; R672-V685 VanDerWaalsContact CA-O 3.31Å; R672-V685 WeakPolarHBondContact CA-O 3.3Å; R672-Y692 WeakPolarHBondContact O-CE2 3.23Å
673	L	87.2	Confident	83	Confident	18 Å²	18	55 Å²	55	9%	0.094	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	160.9	176.7	54	65.7	0	0	0	111.8	V675 V685 V687 Y692 R695	L673-V675 HydrophobicContact CD1-CG2 4.02Å; L673-V685 PolarHBondContact N-O 3.35Å; L673-V685 VanDerWaalsContact N-O 3.17Å; L673-V685 WeakPolarHBondContact O-CG2 3.39Å; L673-V685 PolarHBondContact O-N 3.22Å; L673-V685 VanDerWaalsContact O-N 3.15Å; L673-V687 HydrophobicContact CD1-CG1 3.65Å; L673-V687 HydrophobicContact CD1-CG2 4.29Å; L673-V687 HydrophobicContact CD2-CG2 4.37Å; L673-V687 HydrophobicContact CG-CG1 4.16Å; L673-V687 HydrophobicContact CG-CG2 3.88Å; L673-Y692 HydrophobicContact CB-CD2 4.36Å; L673-Y692 HydrophobicContact CB-CE2 4.43Å; L673-Y692 HydrophobicContact CD2-CD2 3.78Å; L673-Y692 HydrophobicContact CD2-CE2 4.44Å; L673-Y692 HydrophobicContact CD2-CG 4.49Å; L673-Y692 HydrophobicContact CG-CD2 4.05Å; L673-R695 HydrophobicContact CD2-CB 3.65Å; L673-R695 HydrophobicContact CD2-CG 4.23Å
674	P	84.4	Confident	82.6	Confident	51 Å²	51	56.6 Å²	56.6	33%	0.331	34%	0.336	S	S	.	.			trans	-65.4	132.6	172.2	24.3	-34.4	0	0	0	111.9	D683 R695	P674-D683 WeakPolarHBondContact CA-O 3.35Å; P674-R695 PolarHBondContact O-NH1 2.95Å
675	V	81.9	Confident	82.4	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	34%	0.343	C	S	.	.			trans	-126.8	76	169.7	143.4	0	0	0	0	109.9	R658 A659 L673 D677 Q678 Y680 V685 V687	R658-V675 HydrophobicContact CB-CG2 4.41Å; A659-V675 HydrophobicContact CB-CG1 4.45Å; A659-V675 HydrophobicContact CB-CG2 4.31Å; L673-V675 HydrophobicContact CD1-CG2 4.02Å; V675-D677 WeakPolarHBondContact CA-OD1 3.29Å; V675-D677 WeakPolarHBondContact CG1-OD1 3.23Å; V675-D677 PolarHBondContact O-N 2.86Å; V675-Q678 HydrophobicContact CG1-CB 3.5Å; V675-Q678 HydrophobicContact CG1-CG 3.39Å; V675-Q678 PolarHBondContact O-N 2.89Å; V675-Y680 HydrophobicContact CG1-CD2 4.1Å; V675-Y680 PolarHBondContact O-N 3.33Å; V675-V685 HydrophobicContact CG2-CG2 3.36Å; V675-V687 HydrophobicContact CG2-CG1 4.2Å
676	P	78	Confident	82.5	Confident	85 Å²	85	60.8 Å²	60.8	55%	0.552	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-67.8	-27	179	28.9	-35.5	0	0	0	111.9	Q678 G679	P676-Q678 PolarHBondContact O-N 2.6Å; P676-G679 PolarHBondContact O-N 3.42Å
677	D	78.7	Confident	82.8	Confident	81 Å²	81	59.4 Å²	59.4	43%	0.433	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-63.7	-22.2	175.6	57.3	-71.6	0	0	0	114.4	V675 R695	V675-D677 WeakPolarHBondContact CA-OD1 3.29Å; V675-D677 WeakPolarHBondContact CG1-OD1 3.23Å; V675-D677 PolarHBondContact O-N 2.86Å; D677-R695 IonicContact OD1-CZ 2.98Å; D677-R695 VanDerWaalsContact OD1-CZ 3.26Å; D677-R695 IonicContact OD1-NH1 3.87Å; D677-R695 PolarHBondContact OD1-NH1 2.82Å; D677-R695 IonicContact OD1-NH2 3.71Å; D677-R695 PolarHBondContact OD1-NH2 2.97Å; D677-R695 IonicContact OD2-CZ 2.66Å; D677-R695 IonicContact OD2-NH2 3.55Å; D677-R695 PolarHBondContact OD2-NH2 2.81Å
678	Q	76.4	Confident	83.1	Confident	75 Å²	75	53 Å²	53	35%	0.35	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-108.3	15.5	169	-47.5	-56.7	-52.3	0	0	112.3	Y559 V675 P676 Y680	Y559-Q678 HydrophobicContact CE1-CB 4.2Å; Y559-Q678 HydrophobicContact CE2-CG 4.2Å; V675-Q678 HydrophobicContact CG1-CB 3.5Å; V675-Q678 HydrophobicContact CG1-CG 3.39Å; V675-Q678 PolarHBondContact O-N 2.89Å; P676-Q678 PolarHBondContact O-N 2.6Å; Q678-Y680 HydrophobicContact CB-CD2 3.98Å; Q678-Y680 HydrophobicContact CB-CE2 3.86Å
679	G	73.4	Confident	83.1	Confident	67 Å²	67	53.8 Å²	53.8	69%	0.691	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	8	173.7	0	0	0	0	0	117	P676 G681	P676-G679 PolarHBondContact O-N 3.42Å; G679-G681 VanDerWaalsContact C-N 3.31Å; G679-G681 PolarHBondContact O-N 3.39Å
680	Y	73.5	Confident	83.2	Confident	64 Å²	64	58.3 Å²	58.3	25%	0.251	34%	0.338	S	S	.	.			trans	-85.1	4.5	-178.4	-63.4	-85.1	0	0	0	114.8	Y559 W560 R658 V675 Q678 V685	Y559-Y680 VanDerWaalsContact OH-CE2 3.29Å; Y559-Y680 WeakPolarHBondContact OH-CE2 3.32Å; Y559-Y680 PolarHBondContact OH-OH 3.49Å; W560-Y680 WeakPolarHBondContact CZ2-OH 3.42Å; R658-Y680 HydrophobicContact CB-CD2 4.26Å; R658-Y680 HydrophobicContact CB-CE2 3.92Å; R658-Y680 HydrophobicContact CG-CD1 4.39Å; R658-Y680 HydrophobicContact CG-CE1 3.85Å; R658-Y680 HydrophobicContact CG-CE2 4.05Å; V675-Y680 HydrophobicContact CG1-CD2 4.1Å; V675-Y680 PolarHBondContact O-N 3.33Å; Q678-Y680 HydrophobicContact CB-CD2 3.98Å; Q678-Y680 HydrophobicContact CB-CE2 3.86Å; Y680-V685 HydrophobicContact CD1-CG1 3.88Å; Y680-V685 HydrophobicContact CD1-CG2 4.49Å; Y680-V685 HydrophobicContact CD2-CG2 4.46Å; Y680-V685 HydrophobicContact CG-CG1 4.1Å; Y680-V685 HydrophobicContact CG-CG2 4.06Å
681	G	74.3	Confident	83.5	Confident	38 Å²	38	54.5 Å²	54.5	39%	0.392	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	-144.2	179.1	0	0	0	0	0	114	G679	G679-G681 VanDerWaalsContact C-N 3.31Å; G679-G681 PolarHBondContact O-N 3.39Å
682	S	76.2	Confident	83.9	Confident	101 Å²	101	58.2 Å²	58.2	71%	0.706	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-7.1	-175.6	49.1	0	0	0	0	115.1
683	D	73.4	Confident	83.8	Confident	112 Å²	112	54.1 Å²	54.1	60%	0.599	32%	0.32	S	S	*	.	S	Bend	trans	-91.9	147.6	-165.1	-66.6	-5.8	0	0	0	113	P674 V685	P674-D683 WeakPolarHBondContact CA-O 3.35Å; D683-V685 PolarHBondContact O-N 2.74Å
684	G	82.1	Confident	83.8	Confident	35 Å²	35	55.5 Å²	55.5	36%	0.361	33%	0.334	S	S	.	.			trans	-72	87.2	-174.9	0	0	0	0	0	114	R672	R672-G684 WeakPolarHBondContact CD-O 3.28Å; R672-G684 PolarHBondContact NH1-O 2.76Å
685	V	85.7	Confident	83.7	Confident	25 Å²	25	56.1 Å²	56.1	15%	0.152	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	151	177.4	-63.9	0	0	0	0	112.7	R658 R672 L673 V675 Y680 D683 V687	R658-V685 HydrophobicContact CB-CB 4.12Å; R658-V685 HydrophobicContact CB-CG2 3.66Å; R658-V685 HydrophobicContact CG-CB 4.05Å; R658-V685 HydrophobicContact CG-CG2 4.12Å; R672-V685 VanDerWaalsContact CA-O 3.31Å; R672-V685 WeakPolarHBondContact CA-O 3.3Å; L673-V685 PolarHBondContact N-O 3.35Å; L673-V685 VanDerWaalsContact N-O 3.17Å; L673-V685 WeakPolarHBondContact O-CG2 3.39Å; L673-V685 PolarHBondContact O-N 3.22Å; L673-V685 VanDerWaalsContact O-N 3.15Å; V675-V685 HydrophobicContact CG2-CG2 3.36Å; Y680-V685 HydrophobicContact CD1-CG1 3.88Å; Y680-V685 HydrophobicContact CD1-CG2 4.49Å; Y680-V685 HydrophobicContact CD2-CG2 4.46Å; Y680-V685 HydrophobicContact CG-CG1 4.1Å; Y680-V685 HydrophobicContact CG-CG2 4.06Å; D683-V685 PolarHBondContact O-N 2.74Å; V685-V687 PolarHBondContact O-N 3.36Å
686	R	91.7	Very high	83.5	Confident	71 Å²	71	60.2 Å²	60.2	27%	0.268	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	120.6	-177.5	-174.4	-166.1	-76.8	-88.3	16.8	111.2	H655 R658 S669	H655-R686 PolarHBondContact CD2-NH2 2.94Å; H655-R686 PolarHBondContact NE2-NH2 2.87Å; H655-R686 VanDerWaalsContact NE2-NH2 3.18Å; R658-R686 WeakPolarHBondContact CD-O 3.39Å; R658-R686 PolarHBondContact N-O 3.08Å; S669-R686 WeakPolarHBondContact O-CG 3.38Å; S669-R686 PolarHBondContact O-NH1 3.2Å; S669-R686 PolarHBondContact OG-NH1 3.19Å
687	V	91.5	Very high	83.1	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	36%	0.355	C	S	.	.			trans	-112.7	166.1	169.2	-65.8	0	0	0	0	110.2	A659 S669 G671 L673 V675 V685 C691 Y692	A659-V687 HydrophobicContact CB-CG1 3.7Å; S669-V687 CarbonylContact C-O 3.54Å; S669-V687 WeakPolarHBondContact CA-O 2.94Å; S669-V687 VanDerWaalsContact CB-O 3.23Å; S669-V687 WeakPolarHBondContact CB-O 3.27Å; G671-V687 WeakPolarHBondContact O-CG2 3.41Å; G671-V687 PolarHBondContact O-N 3.08Å; L673-V687 HydrophobicContact CD1-CG1 3.65Å; L673-V687 HydrophobicContact CD1-CG2 4.29Å; L673-V687 HydrophobicContact CD2-CG2 4.37Å; L673-V687 HydrophobicContact CG-CG1 4.16Å; L673-V687 HydrophobicContact CG-CG2 3.88Å; V675-V687 HydrophobicContact CG2-CG1 4.2Å; V685-V687 PolarHBondContact O-N 3.36Å; V687-C691 HydrophobicContact CB-CB 4.11Å; V687-Y692 HydrophobicContact CG2-CD2 4.04Å; V687-Y692 HydrophobicContact CG2-CG 4.42Å
688	C	93.7	Very high	82.4	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.014	37%	0.365	C	S	.	.			trans	-76	153.4	162.2	64	0	0	0	0	109.7	V571 C657 V664 C668 Q690 C691 Y692	V571-C688 HydrophobicContact CG2-CB 3.94Å; C657-C688 HydrophobicContact CB-CB 4.05Å; C657-C688 PolarHBondContact SG-N 2.87Å; C657-C688 VanDerWaalsContact SG-SG 3.61Å; V664-C688 HydrophobicContact CB-CB 4.43Å; V664-C688 HydrophobicContact CG1-CB 3.74Å; V664-C688 HydrophobicContact CG2-CB 4.18Å; C668-C688 VanDerWaalsContact O-CA 3.28Å; C668-C688 WeakPolarHBondContact O-CA 3.47Å; C668-C688 WeakPolarHBondContact O-CB 3.36Å; C688-Q690 PolarHBondContact O-N 2.99Å; C688-C691 WeakPolarHBondContact O-CA 3.37Å; C688-C691 PolarHBondContact O-N 3.12Å; C688-Y692 PolarHBondContact O-N 3.19Å; C688-Y692 VanDerWaalsContact O-N 3.09Å
689	D	91.4	Very high	81.2	Confident	29 Å²	29	67.9 Å²	67.9	16%	0.155	38%	0.378	C	S	.	.	H	α-helix	trans	-63.5	-33.1	-171.5	-40.1	-61.2	0	0	0	111.5	C668 S669 T670 G671 C691 Y692 D693	C668-D689 WeakPolarHBondContact CA-OD2 3.5Å; C668-D689 PolarHBondContact O-N 3.17Å; S669-D689 PolarHBondContact N-OD2 2.84Å; T670-D689 PolarHBondContact N-OD1 2.82Å; T670-D689 PolarHBondContact OG1-OD1 3.4Å; G671-D689 PolarHBondContact N-OD1 3.01Å; D689-C691 VanDerWaalsContact C-N 3.26Å; D689-C691 PolarHBondContact O-N 3.32Å; D689-Y692 CarbonylContact O-C 3.5Å; D689-Y692 WeakPolarHBondContact O-CA 3.43Å; D689-Y692 VanDerWaalsContact O-CB 3.25Å; D689-Y692 WeakPolarHBondContact O-CB 3.19Å; D689-Y692 PolarHBondContact O-N 3.39Å; D689-D693 VanDerWaalsContact O-CG 3.29Å; D689-D693 PolarHBondContact O-N 3.27Å
690	Q	92	Very high	80	Confident	95 Å²	95	69.5 Å²	69.5	44%	0.444	37%	0.374	S	S	.	.	H	α-helix	trans	-54.8	-35.7	170	-67.8	178.3	-15.7	0	0	114.1	V571 C688 A694	V571-Q690 HydrophobicContact CG1-CG 4.42Å; V571-Q690 HydrophobicContact CG2-CG 4.16Å; C688-Q690 PolarHBondContact O-N 2.99Å; Q690-A694 WeakPolarHBondContact O-CB 3.42Å; Q690-A694 PolarHBondContact O-N 2.99Å
691	C	92.8	Very high	78.7	Confident	26 Å²	26	73.8 Å²	73.8	18%	0.176	40%	0.4	C	S	.	.	H	α-helix	trans	-85.5	-17.2	175.3	-72.4	0	0	0	0	112.8	A659 C660 V687 C688 D689	A659-C691 HydrophobicContact CB-CB 3.96Å; C660-C691 VanDerWaalsContact SG-SG 3.66Å; V687-C691 HydrophobicContact CB-CB 4.11Å; C688-C691 WeakPolarHBondContact O-CA 3.37Å; C688-C691 PolarHBondContact O-N 3.12Å; D689-C691 VanDerWaalsContact C-N 3.26Å; D689-C691 PolarHBondContact O-N 3.32Å
692	Y	92.3	Very high	77.2	Confident	81 Å²	81	78.6 Å²	78.6	32%	0.318	42%	0.417	S	S	.	.	H	α-helix	trans	-74.4	-52.9	172	-169.2	-106.9	0	0	0	110.1	G671 R672 L673 V687 C688 D689 A694 R695 L696	G671-Y692 VanDerWaalsContact CA-CD2 3.46Å; R672-Y692 WeakPolarHBondContact O-CE2 3.23Å; L673-Y692 HydrophobicContact CB-CD2 4.36Å; L673-Y692 HydrophobicContact CB-CE2 4.43Å; L673-Y692 HydrophobicContact CD2-CD2 3.78Å; L673-Y692 HydrophobicContact CD2-CE2 4.44Å; L673-Y692 HydrophobicContact CD2-CG 4.49Å; L673-Y692 HydrophobicContact CG-CD2 4.05Å; V687-Y692 HydrophobicContact CG2-CD2 4.04Å; V687-Y692 HydrophobicContact CG2-CG 4.42Å; C688-Y692 PolarHBondContact O-N 3.19Å; C688-Y692 VanDerWaalsContact O-N 3.09Å; D689-Y692 CarbonylContact O-C 3.5Å; D689-Y692 WeakPolarHBondContact O-CA 3.43Å; D689-Y692 VanDerWaalsContact O-CB 3.25Å; D689-Y692 WeakPolarHBondContact O-CB 3.19Å; D689-Y692 PolarHBondContact O-N 3.39Å; Y692-A694 PolarHBondContact O-N 2.58Å; Y692-R695 PolarHBondContact O-N 3.13Å; Y692-L696 HydrophobicContact CD1-CD1 3.82Å; Y692-L696 HydrophobicContact CE1-CD1 3.59Å; Y692-L696 HydrophobicContact CE1-CG 4.45Å; Y692-L696 PolarHBondContact O-N 3.15Å; Y692-L696 VanDerWaalsContact O-N 3.09Å
693	D	89.9	Confident	75.3	Confident	80 Å²	80	78.2 Å²	78.2	43%	0.428	41%	0.414	S	S	.	.	H	α-helix	trans	-62.2	-42.5	-177.8	-60.1	-26.7	0	0	0	112.1	D689 R695 L696 Q697	D689-D693 VanDerWaalsContact O-CG 3.29Å; D689-D693 PolarHBondContact O-N 3.27Å; D693-R695 PolarHBondContact O-N 3.43Å; D693-L696 WeakPolarHBondContact O-CB 3.46Å; D693-L696 PolarHBondContact O-N 3.42Å; D693-L696 VanDerWaalsContact O-N 3.14Å; D693-Q697 WeakPolarHBondContact O-CG 3.28Å; D693-Q697 PolarHBondContact O-N 2.71Å
694	A	87.2	Confident	73.6	Confident	47 Å²	47	82.5 Å²	82.5	39%	0.388	43%	0.428	S	S	.	.	H	α-helix	trans	-57.5	-45.9	176.9	0	0	0	0	0	112.4	Q690 Y692 L696 Q697 D698	Q690-A694 WeakPolarHBondContact O-CB 3.42Å; Q690-A694 PolarHBondContact O-N 2.99Å; Y692-A694 PolarHBondContact O-N 2.58Å; A694-L696 VanDerWaalsContact C-N 3.3Å; A694-L696 PolarHBondContact O-N 3.33Å; A694-Q697 PolarHBondContact O-N 3.01Å; A694-D698 PolarHBondContact O-N 2.97Å; A694-D698 VanDerWaalsContact O-N 3.14Å
695	R	82.2	Confident	71.5	Confident	65 Å²	65	87 Å²	87	25%	0.245	45%	0.448	C	S	.	.	H	α-helix	trans	-77.2	-12.9	178.5	-69.1	-168.7	-172	-148	-4.8	114.1	L673 P674 D677 Y692 D693	L673-R695 HydrophobicContact CD2-CB 3.65Å; L673-R695 HydrophobicContact CD2-CG 4.23Å; P674-R695 PolarHBondContact O-NH1 2.95Å; D677-R695 IonicContact OD1-CZ 2.98Å; D677-R695 VanDerWaalsContact OD1-CZ 3.26Å; D677-R695 IonicContact OD1-NH1 3.87Å; D677-R695 PolarHBondContact OD1-NH1 2.82Å; D677-R695 IonicContact OD1-NH2 3.71Å; D677-R695 PolarHBondContact OD1-NH2 2.97Å; D677-R695 IonicContact OD2-CZ 2.66Å; D677-R695 IonicContact OD2-NH2 3.55Å; D677-R695 PolarHBondContact OD2-NH2 2.81Å; Y692-R695 PolarHBondContact O-N 3.13Å; D693-R695 PolarHBondContact O-N 3.43Å
696	L	78.3	Confident	69.1	Low	85 Å²	85	97.6 Å²	97.6	45%	0.445	49%	0.485	S	S	.	.	H	α-helix	trans	-76.5	-40.6	165.4	-72.8	174.9	0	0	0	110.6	Y692 D693 A694 K699	Y692-L696 HydrophobicContact CD1-CD1 3.82Å; Y692-L696 HydrophobicContact CE1-CD1 3.59Å; Y692-L696 HydrophobicContact CE1-CG 4.45Å; Y692-L696 PolarHBondContact O-N 3.15Å; Y692-L696 VanDerWaalsContact O-N 3.09Å; D693-L696 WeakPolarHBondContact O-CB 3.46Å; D693-L696 PolarHBondContact O-N 3.42Å; D693-L696 VanDerWaalsContact O-N 3.14Å; A694-L696 VanDerWaalsContact C-N 3.3Å; A694-L696 PolarHBondContact O-N 3.33Å; L696-K699 PolarHBondContact O-N 3.04Å
697	Q	68.5	Low	66.2	Low	138 Å²	138	100.9 Å²	100.9	65%	0.645	51%	0.513	S	S	*	.	H	α-helix	trans	-64.8	-43.4	179.2	-68.9	172.4	19.7	0	0	112.2	D693 A694 K699 V700	D693-Q697 WeakPolarHBondContact O-CG 3.28Å; D693-Q697 PolarHBondContact O-N 2.71Å; A694-Q697 PolarHBondContact O-N 3.01Å; Q697-K699 PolarHBondContact O-N 3Å; Q697-K699 VanDerWaalsContact O-N 3.15Å; Q697-V700 PolarHBondContact O-N 3.44Å; Q697-V700 VanDerWaalsContact O-N 3.08Å
698	D	63.1	Low	63.5	Low	118 Å²	118	106.7 Å²	106.7	63%	0.631	55%	0.554	S	S	*	*	H	α-helix	trans	-53.5	-35.3	173.9	-75.4	-31.6	0	0	0	112.8	A694 V700	A694-D698 PolarHBondContact O-N 2.97Å; A694-D698 VanDerWaalsContact O-N 3.14Å; D698-V700 PolarHBondContact O-N 3.25Å
699	K	52.5	Low	60.5	Low	146 Å²	146	110 Å²	110	64%	0.635	59%	0.588	S	S	*	*	H	α-helix	trans	-76.9	-16.7	-178.2	-73.1	-175.6	175.6	-170.8	0	114.6	L696 Q697 I701	L696-K699 PolarHBondContact O-N 3.04Å; Q697-K699 PolarHBondContact O-N 3Å; Q697-K699 VanDerWaalsContact O-N 3.15Å; K699-I701 VanDerWaalsContact C-N 3.29Å; K699-I701 PolarHBondContact O-N 2.75Å
700	V	47.6	Very low	57.7	Low	101 Å²	101	116.7 Å²	116.7	61%	0.612	62%	0.621	S	S	*	*	H	α-helix	trans	-70.4	-29.9	-179.4	179.8	0	0	0	0	111.3	Q697 D698 D702 S703	Q697-V700 PolarHBondContact O-N 3.44Å; Q697-V700 VanDerWaalsContact O-N 3.08Å; D698-V700 PolarHBondContact O-N 3.25Å; V700-D702 PolarHBondContact O-N 3.25Å; V700-S703 WeakPolarHBondContact O-CB 3.33Å; V700-S703 PolarHBondContact O-OG 3.17Å
701	I	46.3	Very low	54.7	Low	155 Å²	155	119.9 Å²	119.9	80%	0.795	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-28.9	-175.8	-59.3	178.7	0	0	0	112.1	K699 S703	K699-I701 VanDerWaalsContact C-N 3.29Å; K699-I701 PolarHBondContact O-N 2.75Å; I701-S703 VanDerWaalsContact C-N 3.35Å; I701-S703 PolarHBondContact O-N 2.78Å
702	D	43.6	Very low	51.6	Low	139 Å²	139	129.3 Å²	129.3	74%	0.743	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	22.1	-175.3	-154.6	16.8	0	0	0	113.7	V700 K704	V700-D702 PolarHBondContact O-N 3.25Å; D702-K704 PolarHBondContact O-N 3.04Å
703	S	36.4	Very low	48.6	Very low	93 Å²	93	133 Å²	133	65%	0.65	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	31.7	-167.4	-63.8	0	0	0	0	116.3	V700 I701	V700-S703 WeakPolarHBondContact O-CB 3.33Å; V700-S703 PolarHBondContact O-OG 3.17Å; I701-S703 VanDerWaalsContact C-N 3.35Å; I701-S703 PolarHBondContact O-N 2.78Å
704	K	36	Very low	45.5	Very low	201 Å²	201	134.7 Å²	134.7	87%	0.874	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.3	1.9	-173.3	-108.7	179.6	-179.4	177.1	0	117.6	D702	D702-K704 PolarHBondContact O-N 3.04Å
705	T	38.2	Very low	42.8	Very low	129 Å²	129	141.6 Å²	141.6	79%	0.791	74%	0.742	S	S	*	*	S	Bend	trans	-132.7	84.4	175.2	-42.9	0	0	0	0	114.8
706	R	35.1	Very low	40.3	Very low	248 Å²	248	145.6 Å²	145.6	94%	0.936	77%	0.766	S	S	*	*			trans	47.9	118.9	154.7	-69.2	-173.1	171.7	-178.4	-2.4	120.6
707	V	31.5	Very low	37.9	Very low	140 Å²	140	148.9 Å²	148.9	85%	0.848	79%	0.785	S	S	*	*			trans	-88.3	139.3	173.5	172.4	0	0	0	0	112.4
708	S	35	Very low	36	Very low	122 Å²	122	148.9 Å²	148.9	85%	0.853	79%	0.789	S	S	*	*			trans	173	135.7	134.8	-75.7	0	0	0	0	109.7
709	G	29.9	Very low	34.7	Very low	71 Å²	71	150.5 Å²	150.5	73%	0.732	80%	0.798	S	S	*	*			cis	141.6	84.7	-0.1	0	0	0	0	0	110.9
710	M	32.4	Very low	33.9	Very low	171 Å²	171	148.2 Å²	148.2	84%	0.842	80%	0.8	S	S	*	*			trans	-140.1	126.6	-179.8	-81.4	-176.6	163.2	0	0	112.2
711	N	28.9	Very low	33.6	Very low	162 Å²	162	148.7 Å²	148.7	87%	0.866	80%	0.798	S	S	*	*			trans	-79.9	149.1	167.8	-71.3	-34.1	0	0	0	110.3
712	Y	28.1	Very low	33.3	Very low	223 Å²	223	145.2 Å²	145.2	88%	0.875	79%	0.785	S	S	*	*			trans	-132	120.5	163.7	-122.7	-90.6	0	0	0	109.7
713	N	29.7	Very low	32.9	Very low	158 Å²	158	140.9 Å²	140.9	85%	0.845	77%	0.773	S	S	*	*			trans	-81.7	139.7	179.3	-93.8	-31.2	0	0	0	111.2	Q715	N713-Q715 PolarHBondContact O-N 2.67Å
714	S	25.8	Very low	33	Very low	117 Å²	117	145.8 Å²	145.8	82%	0.818	78%	0.777	S	S	*	*			trans	-78.8	114.7	-179.6	-65.6	0	0	0	0	112.3
715	Q	29.9	Very low	33.2	Very low	191 Å²	191	142.1 Å²	142.1	89%	0.893	76%	0.762	S	S	*	*			trans	-132.3	65.9	160.3	-72.9	-165.8	-10.4	0	0	111.1	N713 N717	N713-Q715 PolarHBondContact O-N 2.67Å; Q715-N717 PolarHBondContact O-N 3.03Å
716	I	28.5	Very low	33.3	Very low	149 Å²	149	137.7 Å²	137.7	76%	0.764	73%	0.734	S	S	*	*			trans	-85.1	101	162.1	-61.6	176.2	0	0	0	106.8
717	N	28.5	Very low	33.6	Very low	155 Å²	155	131.4 Å²	131.4	83%	0.829	72%	0.718	S	S	*	*			trans	-87.2	117.1	-178.5	-144.3	1.3	0	0	0	110	Q715 N719	Q715-N717 PolarHBondContact O-N 3.03Å; N717-N719 PolarHBondContact O-N 2.79Å
718	N	29	Very low	34.2	Very low	138 Å²	138	130 Å²	130	74%	0.738	70%	0.702	S	S	*	*			trans	-81.8	97.7	-170.9	-67.3	-54.6	0	0	0	111.6	S720	N718-S720 PolarHBondContact O-N 3.41Å
719	N	36	Very low	34.4	Very low	152 Å²	152	127.7 Å²	127.7	81%	0.813	68%	0.679	S	S	*	*			trans	-69.7	105.1	169.2	-89.8	5	0	0	0	110.5	N717 L721	N717-N719 PolarHBondContact O-N 2.79Å; N719-L721 PolarHBondContact O-N 2.82Å
720	S	36	Very low	34.8	Very low	98 Å²	98	127.9 Å²	127.9	69%	0.685	66%	0.662	S	S	*	*			trans	-50.8	128.2	-172.6	-175	0	0	0	0	114.5	N718 T722	N718-S720 PolarHBondContact O-N 3.41Å; S720-T722 PolarHBondContact O-N 2.84Å
721	L	41.8	Very low	35.4	Very low	110 Å²	110	123.5 Å²	123.5	58%	0.576	65%	0.649	S	S	*	*			trans	-78	105	157.5	-89.5	74.7	0	0	0	108.1	N719	N719-L721 PolarHBondContact O-N 2.82Å
722	T	39.9	Very low	36.1	Very low	82 Å²	82	119 Å²	119	50%	0.503	63%	0.634	S	S	.	*			trans	-62.9	139.5	168	47.9	0	0	0	0	110.1	S720 R724 K725	S720-T722 PolarHBondContact O-N 2.84Å; T722-R724 PolarHBondContact O-N 3.32Å; T722-K725 PolarHBondContact O-N 3.5Å
723	G	35.2	Very low	36.9	Very low	49 Å²	49	111 Å²	111	51%	0.505	61%	0.608	S	S	.	*	H	α-helix	trans	-56.2	-21.4	-174.4	0	0	0	0	0	115	K725 V726 I727	G723-K725 PolarHBondContact O-N 2.81Å; G723-V726 WeakPolarHBondContact O-CB 3.39Å; G723-V726 PolarHBondContact O-N 2.88Å; G723-V726 VanDerWaalsContact O-N 3.13Å; G723-I727 PolarHBondContact O-N 2.88Å; G723-I727 VanDerWaalsContact O-N 3.08Å
724	R	38.5	Very low	37.4	Very low	195 Å²	195	105.9 Å²	105.9	74%	0.736	59%	0.588	S	S	*	*	H	α-helix	trans	-58.5	-42.5	172.7	-143.8	175	-165.1	147.5	2.7	112.4	T722 V726 I727 E728	T722-R724 PolarHBondContact O-N 3.32Å; R724-V726 VanDerWaalsContact C-N 3.26Å; R724-V726 PolarHBondContact O-N 2.9Å; R724-I727 PolarHBondContact O-N 2.81Å; R724-E728 WeakPolarHBondContact O-CG 3.43Å; R724-E728 PolarHBondContact O-N 2.95Å
725	K	38.8	Very low	38	Very low	125 Å²	125	106.5 Å²	106.5	54%	0.543	58%	0.583	S	S	.	*	H	α-helix	trans	-65	-28.5	175.4	-71.5	-177.3	173.8	177.6	0	113.1	T722 G723 E728 M729	T722-K725 PolarHBondContact O-N 3.5Å; G723-K725 PolarHBondContact O-N 2.81Å; K725-E728 WeakPolarHBondContact CA-OE2 3.24Å; K725-M729 WeakPolarHBondContact O-CB 3.38Å; K725-M729 PolarHBondContact O-N 2.94Å; K725-M729 VanDerWaalsContact O-N 3.1Å
726	V	41.5	Very low	38.6	Very low	35 Å²	35	106.8 Å²	106.8	21%	0.212	58%	0.577	C	S	.	*	H	α-helix	trans	-73.3	-42	175	-174.9	0	0	0	0	110.1	G723 R724 M729 L730	G723-V726 WeakPolarHBondContact O-CB 3.39Å; G723-V726 PolarHBondContact O-N 2.88Å; G723-V726 VanDerWaalsContact O-N 3.13Å; R724-V726 VanDerWaalsContact C-N 3.26Å; R724-V726 PolarHBondContact O-N 2.9Å; V726-M729 PolarHBondContact O-N 2.9Å; V726-L730 HydrophobicContact CG1-CD1 4.11Å; V726-L730 WeakPolarHBondContact O-CB 3.47Å; V726-L730 VanDerWaalsContact O-CG 3.28Å; V726-L730 WeakPolarHBondContact O-CG 3.4Å; V726-L730 PolarHBondContact O-N 3.02Å
727	I	41.2	Very low	39.3	Very low	117 Å²	117	101.9 Å²	101.9	60%	0.6	55%	0.552	S	S	*	*	H	α-helix	trans	-62.9	-44.4	174.6	-65.1	166.4	0	0	0	111	G723 R724 M729 L730 S731	G723-I727 PolarHBondContact O-N 2.88Å; G723-I727 VanDerWaalsContact O-N 3.08Å; R724-I727 PolarHBondContact O-N 2.81Å; I727-M729 PolarHBondContact O-N 2.96Å; I727-L730 PolarHBondContact O-N 2.75Å; I727-S731 WeakPolarHBondContact O-CB 3.38Å; I727-S731 PolarHBondContact O-N 2.83Å
728	E	42.9	Very low	39.7	Very low	110 Å²	110	97.2 Å²	97.2	51%	0.514	54%	0.535	S	S	.	.	H	α-helix	trans	-59	-44.6	175.6	-72	155.2	-165.4	0	0	111.8	R724 K725 S731 A732	R724-E728 WeakPolarHBondContact O-CG 3.43Å; R724-E728 PolarHBondContact O-N 2.95Å; K725-E728 WeakPolarHBondContact CA-OE2 3.24Å; E728-S731 PolarHBondContact O-N 3.24Å; E728-A732 WeakPolarHBondContact O-CB 2.91Å; E728-A732 PolarHBondContact O-N 2.78Å
729	M	38.9	Very low	40.1	Very low	74 Å²	74	94.1 Å²	94.1	37%	0.365	52%	0.522	S	S	.	.	H	α-helix	trans	-69.4	-33.3	178	-166.6	173.6	75.9	0	0	113.2	V531 K725 V726 I727 T733	V531-M729 HydrophobicContact CG1-CE 3.92Å; K725-M729 WeakPolarHBondContact O-CB 3.38Å; K725-M729 PolarHBondContact O-N 2.94Å; K725-M729 VanDerWaalsContact O-N 3.1Å; V726-M729 PolarHBondContact O-N 2.9Å; I727-M729 PolarHBondContact O-N 2.96Å; M729-T733 PolarHBondContact O-N 2.88Å; M729-T733 PolarHBondContact O-OG1 3.34Å
730	L	39.5	Very low	40.4	Very low	74 Å²	74	91.2 Å²	91.2	39%	0.387	51%	0.505	S	S	.	.	H	α-helix	trans	-69.4	-41.2	172.3	-73.6	167.7	0	0	0	111.5	V726 I727 T733 A734	V726-L730 HydrophobicContact CG1-CD1 4.11Å; V726-L730 WeakPolarHBondContact O-CB 3.47Å; V726-L730 VanDerWaalsContact O-CG 3.28Å; V726-L730 WeakPolarHBondContact O-CG 3.4Å; V726-L730 PolarHBondContact O-N 3.02Å; I727-L730 PolarHBondContact O-N 2.75Å; L730-T733 PolarHBondContact O-N 3.11Å; L730-T733 PolarHBondContact O-OG1 3.43Å; L730-T733 VanDerWaalsContact O-OG1 3.11Å; L730-A734 WeakPolarHBondContact O-CB 3.24Å; L730-A734 PolarHBondContact O-N 2.99Å
731	S	44.7	Very low	40.7	Very low	79 Å²	79	94.8 Å²	94.8	55%	0.552	51%	0.505	S	S	*	.	H	α-helix	trans	-63.3	-44.3	176.6	-161.6	0	0	0	0	111.5	I727 E728 T733 A734	I727-S731 WeakPolarHBondContact O-CB 3.38Å; I727-S731 PolarHBondContact O-N 2.83Å; E728-S731 PolarHBondContact O-N 3.24Å; S731-T733 PolarHBondContact O-N 3.32Å; S731-A734 PolarHBondContact O-N 2.88Å
732	A	44.7	Very low	40.8	Very low	69 Å²	69	95.4 Å²	95.4	57%	0.57	51%	0.514	S	S	*	.	H	α-helix	trans	-68.5	-10.6	178.5	0	0	0	0	0	114.5	E728	E728-A732 WeakPolarHBondContact O-CB 2.91Å; E728-A732 PolarHBondContact O-N 2.78Å
733	T	43	Very low	41.1	Very low	53 Å²	53	93.2 Å²	93.2	33%	0.325	51%	0.507	S	S	.	.	H	α-helix	trans	-108.4	-26.6	177.3	46.9	0	0	0	0	113.4	M729 L730 S731 D735 Y736 I737	M729-T733 PolarHBondContact O-N 2.88Å; M729-T733 PolarHBondContact O-OG1 3.34Å; L730-T733 PolarHBondContact O-N 3.11Å; L730-T733 PolarHBondContact O-OG1 3.43Å; L730-T733 VanDerWaalsContact O-OG1 3.11Å; S731-T733 PolarHBondContact O-N 3.32Å; T733-D735 PolarHBondContact O-N 2.83Å; T733-Y736 PolarHBondContact O-N 2.9Å; T733-I737 WeakPolarHBondContact O-CD1 3.27Å; T733-I737 WeakPolarHBondContact O-CG1 3.49Å
734	A	41.8	Very low	41.5	Very low	51 Å²	51	95 Å²	95	42%	0.421	51%	0.51	S	S	.	.	H	α-helix	trans	-54.3	-46.3	-178.1	0	0	0	0	0	113.5	L730 S731 Y736 I737 A738	L730-A734 WeakPolarHBondContact O-CB 3.24Å; L730-A734 PolarHBondContact O-N 2.99Å; S731-A734 PolarHBondContact O-N 2.88Å; A734-Y736 PolarHBondContact O-N 2.84Å; A734-I737 PolarHBondContact O-N 2.81Å; A734-A738 PolarHBondContact O-N 2.94Å
735	D	38.5	Very low	41.7	Very low	131 Å²	131	94 Å²	94	70%	0.701	51%	0.511	S	S	*	.	H	α-helix	trans	-61	-30.4	-176.1	-63.1	-24.8	0	0	0	113.2	T733	T733-D735 PolarHBondContact O-N 2.83Å
736	Y	41.1	Very low	42.1	Very low	196 Å²	196	93.5 Å²	93.5	77%	0.769	51%	0.511	S	S	*	.	H	α-helix	trans	-80.2	-23.2	178	-75.5	-80	0	0	0	113.8	T733 A734	T733-Y736 PolarHBondContact O-N 2.9Å; A734-Y736 PolarHBondContact O-N 2.84Å
737	I	43.8	Very low	42.2	Very low	47 Å²	47	95.8 Å²	95.8	24%	0.241	52%	0.521	C	S	.	.	H	α-helix	trans	-103.5	-21.9	-172.4	-43.4	158.9	0	0	0	111.3	T733 A734 P739 I740 Y741	T733-I737 WeakPolarHBondContact O-CD1 3.27Å; T733-I737 WeakPolarHBondContact O-CG1 3.49Å; A734-I737 PolarHBondContact O-N 2.81Å; I737-P739 VanDerWaalsContact C-CD 3.43Å; I737-P739 VanDerWaalsContact C-N 3.33Å; I737-I740 HydrophobicContact CG2-CB 4.4Å; I737-I740 WeakPolarHBondContact O-CB 3.14Å; I737-I740 PolarHBondContact O-N 3.14Å; I737-Y741 HydrophobicContact CB-CD2 4.35Å; I737-Y741 HydrophobicContact CB-CE2 3.81Å; I737-Y741 HydrophobicContact CG2-CD2 3.86Å; I737-Y741 HydrophobicContact CG2-CE1 4.48Å; I737-Y741 HydrophobicContact CG2-CE2 3.27Å; I737-Y741 WeakPolarHBondContact O-CD2 3.43Å; I737-Y741 PolarHBondContact O-N 3.21Å
738	A	36.6	Very low	42.2	Very low	57 Å²	57	94.7 Å²	94.7	47%	0.471	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-41.6	178.1	0	0	0	0	0	114.9	A734 I740 Y741	A734-A738 PolarHBondContact O-N 2.94Å; A738-I740 VanDerWaalsContact C-N 3.26Å; A738-I740 PolarHBondContact O-N 3.31Å; A738-Y741 PolarHBondContact O-N 2.97Å
739	P	36.9	Very low	42.4	Very low	72 Å²	72	94.9 Å²	94.9	47%	0.468	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-14.5	177.1	-17.7	33.1	0	0	0	114.8	I737	I737-P739 VanDerWaalsContact C-CD 3.43Å; I737-P739 VanDerWaalsContact C-N 3.33Å
740	I	42.9	Very low	42.7	Very low	91 Å²	91	94.2 Å²	94.2	47%	0.467	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-32.6	-179.8	-56.7	177.2	0	0	0	110.3	I737 A738 T742	I737-I740 HydrophobicContact CG2-CB 4.4Å; I737-I740 WeakPolarHBondContact O-CB 3.14Å; I737-I740 PolarHBondContact O-N 3.14Å; A738-I740 VanDerWaalsContact C-N 3.26Å; A738-I740 PolarHBondContact O-N 3.31Å; I740-T742 VanDerWaalsContact C-N 3.29Å; I740-T742 PolarHBondContact O-N 3.39Å
741	Y	42.4	Very low	42.8	Very low	174 Å²	174	94.1 Å²	94.1	68%	0.682	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-17	-178.1	-73.6	-59.7	0	0	0	115.1	I737 A738	I737-Y741 HydrophobicContact CB-CD2 4.35Å; I737-Y741 HydrophobicContact CB-CE2 3.81Å; I737-Y741 HydrophobicContact CG2-CD2 3.86Å; I737-Y741 HydrophobicContact CG2-CE1 4.48Å; I737-Y741 HydrophobicContact CG2-CE2 3.27Å; I737-Y741 WeakPolarHBondContact O-CD2 3.43Å; I737-Y741 PolarHBondContact O-N 3.21Å; A738-Y741 PolarHBondContact O-N 2.97Å
742	T	44.6	Very low	42.8	Very low	123 Å²	123	92.7 Å²	92.7	76%	0.755	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-1	-176.3	53.1	0	0	0	0	114.2	I740	I740-T742 VanDerWaalsContact C-N 3.29Å; I740-T742 PolarHBondContact O-N 3.39Å
743	G	46.7	Very low	43.4	Very low	36 Å²	36	91.7 Å²	91.7	37%	0.371	50%	0.495	S	S	.	.	S	Bend	trans	-77.7	138	-178.8	0	0	0	0	0	114.1
744	P	42.9	Very low	44.6	Very low	87 Å²	87	89.8 Å²	89.8	57%	0.565	48%	0.484	S	S	*	.			trans	-69.3	140	177.3	27.4	-33.3	0	0	0	112.1	E746 L747	P744-E746 VanDerWaalsContact C-N 3.26Å; P744-E746 PolarHBondContact O-N 3.44Å; P744-E746 VanDerWaalsContact O-N 3.08Å; P744-L747 HydrophobicContact CG-CB 4.07Å; P744-L747 VanDerWaalsContact O-CB 3.31Å; P744-L747 WeakPolarHBondContact O-CB 3.49Å; P744-L747 PolarHBondContact O-N 3.39Å
745	K	41.7	Very low	45.7	Very low	173 Å²	173	95.7 Å²	95.7	75%	0.752	51%	0.509	S	S	*	.	H	α-helix	trans	-50.6	-38.5	-173.3	-76.1	-177	176.2	176.7	0	115.1	L747 V748 K749	K745-L747 VanDerWaalsContact C-N 3.32Å; K745-L747 PolarHBondContact O-N 3.24Å; K745-V748 PolarHBondContact O-N 2.79Å; K745-K749 PolarHBondContact O-N 2.82Å
746	E	48.7	Very low	47.6	Very low	114 Å²	114	92.6 Å²	92.6	53%	0.533	49%	0.488	S	S	.	.	H	α-helix	trans	-70.3	-29.6	-176.9	-55.6	-48.5	118.1	0	0	112.6	P744 V748 K749 S750	P744-E746 VanDerWaalsContact C-N 3.26Å; P744-E746 PolarHBondContact O-N 3.44Å; P744-E746 VanDerWaalsContact O-N 3.08Å; E746-V748 VanDerWaalsContact C-N 3.31Å; E746-V748 PolarHBondContact O-N 3.36Å; E746-K749 PolarHBondContact O-N 2.61Å; E746-K749 VanDerWaalsContact OE1-CE 3.25Å; E746-K749 WeakPolarHBondContact OE1-CE 3.12Å; E746-K749 IonicContact OE1-NZ 3.9Å; E746-K749 PolarHBondContact OE1-NZ 3.05Å; E746-K749 WeakPolarHBondContact OE2-CD 3.18Å; E746-K749 WeakPolarHBondContact OE2-CE 3.28Å; E746-K749 IonicContact OE2-NZ 3.17Å; E746-K749 PolarHBondContact OE2-NZ 3.03Å; E746-S750 PolarHBondContact O-N 3.34Å; E746-S750 PolarHBondContact O-OG 2.77Å
747	L	42.3	Very low	49.7	Very low	83 Å²	83	85.7 Å²	85.7	44%	0.435	46%	0.46	S	S	.	.	H	α-helix	trans	-64.4	-38.1	172.8	-174	65.4	0	0	0	110.9	P744 K745 S750 L751	P744-L747 HydrophobicContact CG-CB 4.07Å; P744-L747 VanDerWaalsContact O-CB 3.31Å; P744-L747 WeakPolarHBondContact O-CB 3.49Å; P744-L747 PolarHBondContact O-N 3.39Å; K745-L747 VanDerWaalsContact C-N 3.32Å; K745-L747 PolarHBondContact O-N 3.24Å; L747-S750 PolarHBondContact O-OG 3.09Å; L747-S750 VanDerWaalsContact O-OG 3.08Å; L747-L751 HydrophobicContact CD1-CD1 3.79Å; L747-L751 HydrophobicContact CD1-CG 4.31Å; L747-L751 HydrophobicContact CG-CD1 3.72Å; L747-L751 WeakPolarHBondContact O-CB 3.33Å; L747-L751 WeakPolarHBondContact O-CD1 3.27Å; L747-L751 WeakPolarHBondContact O-CG 3.45Å; L747-L751 PolarHBondContact O-N 3.38Å; L747-L751 VanDerWaalsContact O-N 3.15Å
748	V	42.4	Very low	51.6	Low	95 Å²	95	85.2 Å²	85.2	58%	0.576	46%	0.457	S	S	*	.	H	α-helix	trans	-67.2	-37.9	175.9	-175	0	0	0	0	111.3	K745 E746 A752	K745-V748 PolarHBondContact O-N 2.79Å; E746-V748 VanDerWaalsContact C-N 3.31Å; E746-V748 PolarHBondContact O-N 3.36Å; V748-A752 VanDerWaalsContact O-CB 3.31Å; V748-A752 WeakPolarHBondContact O-CB 3.35Å; V748-A752 PolarHBondContact O-N 3.09Å; V748-A752 VanDerWaalsContact O-N 3.08Å
749	K	47	Very low	53.7	Low	113 Å²	113	84 Å²	84	49%	0.491	44%	0.444	S	S	.	.	H	α-helix	trans	-67.1	-47	176.3	-64.6	-175	-158	158	0	112.7	K745 E746 L751 A752 R753	K745-K749 PolarHBondContact O-N 2.82Å; E746-K749 PolarHBondContact O-N 2.61Å; E746-K749 VanDerWaalsContact OE1-CE 3.25Å; E746-K749 WeakPolarHBondContact OE1-CE 3.12Å; E746-K749 IonicContact OE1-NZ 3.9Å; E746-K749 PolarHBondContact OE1-NZ 3.05Å; E746-K749 WeakPolarHBondContact OE2-CD 3.18Å; E746-K749 WeakPolarHBondContact OE2-CE 3.28Å; E746-K749 IonicContact OE2-NZ 3.17Å; E746-K749 PolarHBondContact OE2-NZ 3.03Å; K749-L751 VanDerWaalsContact C-N 3.25Å; K749-L751 PolarHBondContact O-N 2.7Å; K749-A752 PolarHBondContact O-N 3.43Å; K749-R753 PolarHBondContact O-N 2.63Å
750	S	45.7	Very low	55.7	Low	60 Å²	60	84 Å²	84	42%	0.42	44%	0.44	S	S	.	.	H	α-helix	trans	-64.1	-34.8	-178.9	58.9	0	0	0	0	111.7	E746 L747	E746-S750 PolarHBondContact O-N 3.34Å; E746-S750 PolarHBondContact O-OG 2.77Å; L747-S750 PolarHBondContact O-OG 3.09Å; L747-S750 VanDerWaalsContact O-OG 3.08Å
751	L	41.5	Very low	57.5	Low	72 Å²	72	85.4 Å²	85.4	38%	0.377	45%	0.449	S	S	.	.	H	α-helix	trans	-80	-19.1	178.7	-68.6	176.5	0	0	0	113.9	V464 L747 K749	V464-L751 HydrophobicContact CB-CB 4.33Å; V464-L751 HydrophobicContact CG1-CB 3.6Å; V464-L751 HydrophobicContact CG1-CD2 4.01Å; V464-L751 HydrophobicContact CG1-CG 4.23Å; V464-L751 WeakPolarHBondContact CG1-O 3.37Å; V464-L751 HydrophobicContact CG2-CB 3.83Å; V464-L751 HydrophobicContact CG2-CD1 3.92Å; V464-L751 HydrophobicContact CG2-CG 4.35Å; L747-L751 HydrophobicContact CD1-CD1 3.79Å; L747-L751 HydrophobicContact CD1-CG 4.31Å; L747-L751 HydrophobicContact CG-CD1 3.72Å; L747-L751 WeakPolarHBondContact O-CB 3.33Å; L747-L751 WeakPolarHBondContact O-CD1 3.27Å; L747-L751 WeakPolarHBondContact O-CG 3.45Å; L747-L751 PolarHBondContact O-N 3.38Å; L747-L751 VanDerWaalsContact O-N 3.15Å; K749-L751 VanDerWaalsContact C-N 3.25Å; K749-L751 PolarHBondContact O-N 2.7Å
752	A	43.4	Very low	59.5	Low	49 Å²	49	82.6 Å²	82.6	41%	0.405	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-1.7	173.5	0	0	0	0	0	114.1	W468 V748 K749	W468-A752 WeakPolarHBondContact CZ2-O 3.04Å; V748-A752 VanDerWaalsContact O-CB 3.31Å; V748-A752 WeakPolarHBondContact O-CB 3.35Å; V748-A752 PolarHBondContact O-N 3.09Å; V748-A752 VanDerWaalsContact O-N 3.08Å; K749-A752 PolarHBondContact O-N 3.43Å
753	R	58.5	Low	61.4	Low	48 Å²	48	77 Å²	77	18%	0.181	41%	0.408	C	S	.	.	S	Bend	trans	-88.3	135	178.2	-177.4	-177.6	-70.4	131.1	-4.4	109.9	K749 W757 D760	K749-R753 PolarHBondContact O-N 2.63Å; R753-W757 HydrophobicContact CG-CB 3.67Å; R753-W757 HydrophobicContact CG-CE3 4.41Å; R753-W757 HydrophobicContact CG-CG 4.45Å; R753-D760 IonicContact CZ-OD1 2.74Å; R753-D760 IonicContact NE-OD1 3.5Å; R753-D760 IonicContact NH2-OD1 2.68Å; R753-D760 PolarHBondContact NH2-OD1 2.64Å; R753-D760 IonicContact NH2-OD2 2.95Å; R753-D760 PolarHBondContact NH2-OD2 3.44Å
754	P	66.3	Low	63.4	Low	13 Å²	13	80.4 Å²	80.4	8%	0.084	42%	0.421	C	S	.	.			trans	-61.9	139	171.7	-20.2	31.4	0	0	0	111.5	W468 Y756 W757	W468-P754 HydrophobicContact CH2-CG 3.64Å; W468-P754 HydrophobicContact CZ2-CG 4.18Å; W468-P754 HydrophobicContact CZ3-CG 3.84Å; P754-Y756 HydrophobicContact CB-CD1 3.78Å; P754-Y756 HydrophobicContact CB-CE1 3.58Å; P754-Y756 HydrophobicContact CG-CE1 4.33Å; P754-Y756 PolarHBondContact O-N 2.98Å; P754-W757 HydrophobicContact CB-CG 4.23Å; P754-W757 HydrophobicContact CG-CD2 4.02Å; P754-W757 HydrophobicContact CG-CG 4.05Å; P754-W757 HydrophobicContact CG-CZ2 4.43Å; P754-W757 WeakPolarHBondContact O-CB 3.36Å; P754-W757 PolarHBondContact O-N 3.24Å
755	D	64.9	Low	65.8	Low	176 Å²	176	78.6 Å²	78.6	94%	0.941	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-26.9	-176.7	-55.3	-38.3	0	0	0	114.3
756	Y	79	Confident	68.3	Low	66 Å²	66	70.3 Å²	70.3	26%	0.259	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-8	178.4	77.1	-92.9	0	0	0	114.2	P754 R783 G786	P754-Y756 HydrophobicContact CB-CD1 3.78Å; P754-Y756 HydrophobicContact CB-CE1 3.58Å; P754-Y756 HydrophobicContact CG-CE1 4.33Å; P754-Y756 PolarHBondContact O-N 2.98Å; Y756-R783 PolarHBondContact OH-O 3.12Å; Y756-G786 VanDerWaalsContact CD2-CA 3.49Å; Y756-G786 WeakPolarHBondContact O-CA 3.37Å
757	W	85.2	Confident	70.5	Confident	50 Å²	50	67.6 Å²	67.6	19%	0.189	36%	0.364	C	S	.	.	S	Bend	trans	-81	126.1	177.8	-79	26.1	0	0	0	110.3	R753 P754 P759 H781 R783 G786	R753-W757 HydrophobicContact CG-CB 3.67Å; R753-W757 HydrophobicContact CG-CE3 4.41Å; R753-W757 HydrophobicContact CG-CG 4.45Å; P754-W757 HydrophobicContact CB-CG 4.23Å; P754-W757 HydrophobicContact CG-CD2 4.02Å; P754-W757 HydrophobicContact CG-CG 4.05Å; P754-W757 HydrophobicContact CG-CZ2 4.43Å; P754-W757 WeakPolarHBondContact O-CB 3.36Å; P754-W757 PolarHBondContact O-N 3.24Å; W757-P759 WeakPolarHBondContact O-CD 3.48Å; W757-H781 HydrophobicContact CD2-CB 3.42Å; W757-H781 VanDerWaalsContact CD2-CB 3.42Å; W757-H781 AromaticContact CD2-CD2 3.89Å; W757-H781 AromaticContact CD2-CG 3.56Å; W757-H781 HydrophobicContact CE3-CB 3.51Å; W757-H781 AromaticContact CE3-CD2 3.71Å; W757-H781 AromaticContact CE3-CE1 3.95Å; W757-H781 AromaticContact CE3-CG 3.24Å; W757-H781 AromaticContact CE3-ND1 3.43Å; W757-H781 HydrophobicContact CG-CB 3.98Å; W757-H781 AromaticContact CG-CD2 3.96Å; W757-H781 HydrophobicContact CH2-CB 4.1Å; W757-H781 HydrophobicContact CZ2-CB 4.01Å; W757-H781 HydrophobicContact CZ3-CB 3.85Å; W757-H781 AromaticContact CZ3-CG 3.77Å; W757-H781 AromaticContact CZ3-ND1 3.62Å; W757-R783 HydrophobicContact CZ2-CG 4.34Å; W757-G786 WeakPolarHBondContact CA-O 3.34Å
758	Q	84.8	Confident	72.9	Confident	37 Å²	37	65 Å²	65	17%	0.173	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-55.4	123.6	170.2	-174.6	178.2	4.1	0	0	109.1	Q762 H781 G786	Q758-Q762 HydrophobicContact CG-CB 4.01Å; Q758-Q762 PolarHBondContact NE2-O 2.76Å; Q758-H781 PolarHBondContact O-CD2 3Å; Q758-H781 VanDerWaalsContact O-CD2 3.29Å; Q758-H781 PolarHBondContact O-NE2 3.09Å; Q758-G786 PolarHBondContact N-O 3.32Å
759	P	79.5	Confident	75.4	Confident	31 Å²	31	63.6 Å²	63.6	20%	0.201	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-55.2	144.7	175.8	-28.3	37	0	0	0	112.1	W757 D761 Q762 C763	W757-P759 WeakPolarHBondContact O-CD 3.48Å; P759-D761 WeakPolarHBondContact CB-OD1 3.49Å; P759-D761 PolarHBondContact O-N 3.07Å; P759-Q762 HydrophobicContact CB-CB 4.4Å; P759-Q762 HydrophobicContact CB-CG 4.16Å; P759-Q762 HydrophobicContact CG-CG 4.4Å; P759-Q762 CarbonylContact O-C 3.51Å; P759-Q762 WeakPolarHBondContact O-CA 3.47Å; P759-Q762 WeakPolarHBondContact O-CB 3.22Å; P759-Q762 PolarHBondContact O-N 3.5Å; P759-C763 PolarHBondContact O-N 3.24Å; P759-C763 PolarHBondContact O-SG 3.43Å
760	D	79.3	Confident	77.6	Confident	73 Å²	73	62.4 Å²	62.4	39%	0.39	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-32.4	-174.2	-56.2	8.9	0	0	0	111.3	R753 Q762 C763 I779 H781	R753-D760 IonicContact CZ-OD1 2.74Å; R753-D760 IonicContact NE-OD1 3.5Å; R753-D760 IonicContact NH2-OD1 2.68Å; R753-D760 PolarHBondContact NH2-OD1 2.64Å; R753-D760 IonicContact NH2-OD2 2.95Å; R753-D760 PolarHBondContact NH2-OD2 3.44Å; D760-Q762 VanDerWaalsContact C-N 3.3Å; D760-Q762 PolarHBondContact O-N 3.28Å; D760-C763 WeakPolarHBondContact O-CB 3.31Å; D760-C763 PolarHBondContact O-N 3.48Å; D760-I779 HydrophobicContact CB-CD1 4.17Å; D760-H781 IonicContact OD1-CE1 2.76Å; D760-H781 PolarHBondContact OD1-CE1 3.24Å; D760-H781 IonicContact OD1-NE2 3.81Å; D760-H781 PolarHBondContact OD1-NE2 2.87Å
761	D	80.5	Confident	79.7	Confident	121 Å²	121	61.2 Å²	61.2	65%	0.647	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-27.3	170.8	49.7	-71.1	0	0	0	113.9	P759	P759-D761 WeakPolarHBondContact CB-OD1 3.49Å; P759-D761 PolarHBondContact O-N 3.07Å
762	Q	84.3	Confident	82	Confident	115 Å²	115	62.5 Å²	62.5	54%	0.537	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-10.9	174.3	-61.5	176.9	19.4	0	0	112.3	Q758 P759 D760 V764	Q758-Q762 HydrophobicContact CG-CB 4.01Å; Q758-Q762 PolarHBondContact NE2-O 2.76Å; P759-Q762 HydrophobicContact CB-CB 4.4Å; P759-Q762 HydrophobicContact CB-CG 4.16Å; P759-Q762 HydrophobicContact CG-CG 4.4Å; P759-Q762 CarbonylContact O-C 3.51Å; P759-Q762 WeakPolarHBondContact O-CA 3.47Å; P759-Q762 WeakPolarHBondContact O-CB 3.22Å; P759-Q762 PolarHBondContact O-N 3.5Å; D760-Q762 VanDerWaalsContact C-N 3.3Å; D760-Q762 PolarHBondContact O-N 3.28Å; Q762-V764 VanDerWaalsContact C-N 3.27Å; Q762-V764 PolarHBondContact O-N 3.26Å
763	C	86.1	Confident	84.1	Confident	5 Å²	5	61.7 Å²	61.7	3%	0.034	34%	0.344	C	S	.	.			trans	-79.9	70.5	173.9	-63.5	0	0	0	0	110.4	P759 D760 F773 I779	P759-C763 PolarHBondContact O-N 3.24Å; P759-C763 PolarHBondContact O-SG 3.43Å; D760-C763 WeakPolarHBondContact O-CB 3.31Å; D760-C763 PolarHBondContact O-N 3.48Å; C763-F773 HydrophobicContact CB-CD2 4.21Å; C763-F773 HydrophobicContact CB-CE2 4.18Å; C763-F773 WeakPolarHBondContact O-CD2 3.45Å; C763-I779 HydrophobicContact CB-CD1 3.85Å; C763-I779 HydrophobicContact CB-CG1 4.19Å; C763-I779 HydrophobicContact CB-CG2 4.08Å
764	V	88.8	Confident	85	Confident	108 Å²	108	61.7 Å²	61.7	66%	0.655	36%	0.36	S	S	*	.			trans	-72.7	-39.1	179.8	-176.6	0	0	0	0	112	Q762 F773	Q762-V764 VanDerWaalsContact C-N 3.27Å; Q762-V764 PolarHBondContact O-N 3.26Å; V764-F773 PolarHBondContact O-N 2.85Å
765	S	92.4	Very high	85.2	Confident	48 Å²	48	67.6 Å²	67.6	34%	0.336	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-144.7	158.5	178.7	63.2	0	0	0	0	112.2	N767 S770 A771 F773	S765-N767 PolarHBondContact O-N 2.77Å; S765-S770 WeakPolarHBondContact CB-O 3.5Å; S765-A771 CarbonylContact C-O 3.58Å; S765-A771 WeakPolarHBondContact CA-O 3.44Å; S765-A771 WeakPolarHBondContact CB-O 3.49Å; S765-F773 WeakPolarHBondContact O-CE2 3.32Å
766	C	94.9	Very high	85.7	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	40%	0.4	C	S	.	.			trans	-63.7	118.6	-179.4	175.1	0	0	0	0	111	V768 C769 S770 A771 F773 C790	C766-V768 PolarHBondContact O-N 3.04Å; C766-C769 PolarHBondContact O-N 2.95Å; C766-S770 VanDerWaalsContact O-CA 3.29Å; C766-S770 WeakPolarHBondContact O-CA 3.19Å; C766-S770 PolarHBondContact O-N 3.14Å; C766-A771 PolarHBondContact N-O 3.29Å; C766-F773 HydrophobicContact CB-CE2 4.35Å; C766-F773 HydrophobicContact CB-CZ 4Å; C766-F773 VanDerWaalsContact N-CE2 3.35Å; C766-C790 HydrophobicContact CB-CB 4.32Å; C766-C790 PolarHBondContact SG-N 3.42Å; C766-C790 VanDerWaalsContact SG-SG 3.66Å
767	N	93.5	Very high	85.8	Confident	57 Å²	57	69.5 Å²	69.5	31%	0.305	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	10.9	-179.2	-173.1	43.3	0	0	0	115	S765 Q787 G788 V789 R814	S765-N767 PolarHBondContact O-N 2.77Å; N767-Q787 HydrophobicContact CB-CB 3.95Å; N767-Q787 VanDerWaalsContact ND2-CB 3.3Å; N767-Q787 WeakPolarHBondContact ND2-CB 3.49Å; N767-Q787 VanDerWaalsContact ND2-CG 3.32Å; N767-Q787 WeakPolarHBondContact ND2-CG 3.32Å; N767-Q787 PolarHBondContact ND2-OE1 3.16Å; N767-G788 WeakPolarHBondContact CB-O 3.24Å; N767-G788 PolarHBondContact N-O 3.01Å; N767-V789 HydrophobicContact CB-CG1 4.3Å; N767-R814 PolarHBondContact O-NH1 2.69Å; N767-R814 PolarHBondContact O-NH2 3.48Å
768	V	93.6	Very high	85.6	Confident	29 Å²	29	71.8 Å²	71.8	18%	0.176	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-52.6	172.4	177.4	0	0	0	0	111.4	C766 V789 C793 C812 R814	C766-V768 PolarHBondContact O-N 3.04Å; V768-V789 HydrophobicContact CG2-CG1 3.78Å; V768-C793 HydrophobicContact CB-CB 3.57Å; V768-C793 HydrophobicContact CG1-CB 3.77Å; V768-C793 HydrophobicContact CG2-CB 3.99Å; V768-C812 HydrophobicContact CG2-CB 3.89Å; V768-R814 HydrophobicContact CG1-CG 4.5Å; V768-R814 HydrophobicContact CG2-CG 4.19Å; V768-R814 PolarHBondContact O-NH2 2.86Å
769	C	94.4	Very high	85.8	Confident	65 Å²	65	72.6 Å²	72.6	44%	0.439	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110	3.4	-174.5	66	0	0	0	0	115	C766 A771	C766-C769 PolarHBondContact O-N 2.95Å; C769-A771 PolarHBondContact O-N 2.68Å
770	S	93	Very high	86.3	Confident	87 Å²	87	73.2 Å²	73.2	61%	0.608	42%	0.422	S	S	*	.			trans	58.8	7.1	-179.7	-54.1	0	0	0	0	116.3	S765 C766	S765-S770 WeakPolarHBondContact CB-O 3.5Å; C766-S770 VanDerWaalsContact O-CA 3.29Å; C766-S770 WeakPolarHBondContact O-CA 3.19Å; C766-S770 PolarHBondContact O-N 3.14Å
771	A	89.4	Confident	86.8	Confident	35 Å²	35	70.3 Å²	70.3	29%	0.289	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-62.5	130.8	174.5	0	0	0	0	0	110.7	S765 C766 C769 L777	S765-A771 CarbonylContact C-O 3.58Å; S765-A771 WeakPolarHBondContact CA-O 3.44Å; S765-A771 WeakPolarHBondContact CB-O 3.49Å; C766-A771 PolarHBondContact N-O 3.29Å; C769-A771 PolarHBondContact O-N 2.68Å; A771-L777 HydrophobicContact CB-CD2 3.92Å
772	P	89.5	Confident	87.5	Confident	99 Å²	99	64.6 Å²	64.6	64%	0.643	38%	0.375	S	S	*	.	B	Isolated β-bridge	trans	-67.3	141.8	-178.7	27.8	-34.7	0	0	0	111.5	L777	P772-L777 WeakPolarHBondContact O-CD2 3.37Å
773	F	88.5	Confident	87.8	Confident	32 Å²	32	62.6 Å²	62.6	14%	0.14	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-78.3	154.1	172.9	-69.9	-70.3	0	0	0	111.2	C763 V764 S765 C766 L777 T778 I779 C790	C763-F773 HydrophobicContact CB-CD2 4.21Å; C763-F773 HydrophobicContact CB-CE2 4.18Å; C763-F773 WeakPolarHBondContact O-CD2 3.45Å; V764-F773 PolarHBondContact O-N 2.85Å; S765-F773 WeakPolarHBondContact O-CE2 3.32Å; C766-F773 HydrophobicContact CB-CE2 4.35Å; C766-F773 HydrophobicContact CB-CZ 4Å; C766-F773 VanDerWaalsContact N-CE2 3.35Å; F773-L777 HydrophobicContact CD1-CD2 4.11Å; F773-L777 HydrophobicContact CD1-CG 4.19Å; F773-L777 HydrophobicContact CE1-CD2 4.4Å; F773-T778 WeakPolarHBondContact CE1-O 3.46Å; F773-I779 HydrophobicContact CB-CD1 4.46Å; F773-I779 HydrophobicContact CB-CG1 4.01Å; F773-I779 HydrophobicContact CD1-CB 4.38Å; F773-I779 HydrophobicContact CD1-CG1 3.58Å; F773-I779 HydrophobicContact CD2-CG1 3.96Å; F773-I779 HydrophobicContact CE1-CB 4.3Å; F773-I779 HydrophobicContact CE1-CG1 3.93Å; F773-I779 HydrophobicContact CE2-CG1 4.23Å; F773-I779 HydrophobicContact CG-CD1 4.43Å; F773-I779 HydrophobicContact CG-CG1 3.59Å; F773-I779 HydrophobicContact CZ-CG1 4.22Å; F773-C790 HydrophobicContact CE1-CB 4.1Å
774	G	76.9	Confident	88	Confident	49 Å²	49	62.6 Å²	62.6	51%	0.505	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	168.6	-166.6	-176.6	0	0	0	0	0	112.5	R776 L777	G774-R776 PolarHBondContact O-N 3.08Å; G774-L777 PolarHBondContact N-O 3.34Å; G774-L777 CarbonylContact O-C 3.52Å; G774-L777 PolarHBondContact O-N 3.03Å
775	S	70.5	Confident	88.2	Confident	136 Å²	136	59.4 Å²	59.4	95%	0.951	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-18.1	-172.4	57.8	0	0	0	0	115.9
776	R	74.8	Confident	88.1	Confident	243 Å²	243	57.1 Å²	57.1	92%	0.917	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	-7.5	177.1	-63.8	-178.6	180	164.9	-0	114.5	G774	G774-R776 PolarHBondContact O-N 3.08Å
777	L	81.7	Confident	88	Confident	39 Å²	39	60.2 Å²	60.2	20%	0.204	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-135.9	107.6	-174.6	-163.3	74.3	0	0	0	110.1	A771 P772 F773 G774 C790	A771-L777 HydrophobicContact CB-CD2 3.92Å; P772-L777 WeakPolarHBondContact O-CD2 3.37Å; F773-L777 HydrophobicContact CD1-CD2 4.11Å; F773-L777 HydrophobicContact CD1-CG 4.19Å; F773-L777 HydrophobicContact CE1-CD2 4.4Å; G774-L777 PolarHBondContact N-O 3.34Å; G774-L777 CarbonylContact O-C 3.52Å; G774-L777 PolarHBondContact O-N 3.03Å; L777-C790 HydrophobicContact CD1-CB 3.76Å; L777-C790 HydrophobicContact CD2-CB 3.92Å; L777-C790 HydrophobicContact CG-CB 3.84Å
778	T	82.1	Confident	88	Confident	98 Å²	98	57.5 Å²	57.5	60%	0.601	33%	0.329	S	S	*	.			trans	-81.4	143.8	-176.7	47	0	0	0	0	112.4	F773 H780	F773-T778 WeakPolarHBondContact CE1-O 3.46Å; T778-H780 PolarHBondContact OG1-CE1 3.12Å
779	I	87.4	Confident	88	Confident	54 Å²	54	56.1 Å²	56.1	28%	0.277	32%	0.321	S	S	.	.			trans	-77.5	135.3	176.1	-60.4	162.4	0	0	0	109.6	D760 C763 F773	D760-I779 HydrophobicContact CB-CD1 4.17Å; C763-I779 HydrophobicContact CB-CD1 3.85Å; C763-I779 HydrophobicContact CB-CG1 4.19Å; C763-I779 HydrophobicContact CB-CG2 4.08Å; F773-I779 HydrophobicContact CB-CD1 4.46Å; F773-I779 HydrophobicContact CB-CG1 4.01Å; F773-I779 HydrophobicContact CD1-CB 4.38Å; F773-I779 HydrophobicContact CD1-CG1 3.58Å; F773-I779 HydrophobicContact CD2-CG1 3.96Å; F773-I779 HydrophobicContact CE1-CB 4.3Å; F773-I779 HydrophobicContact CE1-CG1 3.93Å; F773-I779 HydrophobicContact CE2-CG1 4.23Å; F773-I779 HydrophobicContact CG-CD1 4.43Å; F773-I779 HydrophobicContact CG-CG1 3.59Å; F773-I779 HydrophobicContact CZ-CG1 4.22Å
780	H	91.2	Very high	88	Confident	44 Å²	44	53.1 Å²	53.1	20%	0.204	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	135	165.9	-50.7	-27.9	0	0	0	109.6	T778 V789 R810	T778-H780 PolarHBondContact OG1-CE1 3.12Å; H780-V789 WeakPolarHBondContact CA-O 3.38Å; H780-V789 WeakPolarHBondContact CB-O 3.22Å; H780-V789 PolarHBondContact N-O 2.66Å; H780-V789 WeakPolarHBondContact O-CG2 3.43Å; H780-V789 PolarHBondContact O-N 3.48Å; H780-R810 PolarHBondContact CD2-NH1 3.03Å; H780-R810 VanDerWaalsContact CD2-NH1 3.29Å
781	H	90.4	Very high	87.8	Confident	13 Å²	13	50.3 Å²	50.3	6%	0.06	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	136.4	177.1	-56.5	74.2	0	0	0	112	W757 Q758 D760 R783 G786	W757-H781 HydrophobicContact CD2-CB 3.42Å; W757-H781 VanDerWaalsContact CD2-CB 3.42Å; W757-H781 AromaticContact CD2-CD2 3.89Å; W757-H781 AromaticContact CD2-CG 3.56Å; W757-H781 HydrophobicContact CE3-CB 3.51Å; W757-H781 AromaticContact CE3-CD2 3.71Å; W757-H781 AromaticContact CE3-CE1 3.95Å; W757-H781 AromaticContact CE3-CG 3.24Å; W757-H781 AromaticContact CE3-ND1 3.43Å; W757-H781 HydrophobicContact CG-CB 3.98Å; W757-H781 AromaticContact CG-CD2 3.96Å; W757-H781 HydrophobicContact CH2-CB 4.1Å; W757-H781 HydrophobicContact CZ2-CB 4.01Å; W757-H781 HydrophobicContact CZ3-CB 3.85Å; W757-H781 AromaticContact CZ3-CG 3.77Å; W757-H781 AromaticContact CZ3-ND1 3.62Å; Q758-H781 PolarHBondContact O-CD2 3Å; Q758-H781 VanDerWaalsContact O-CD2 3.29Å; Q758-H781 PolarHBondContact O-NE2 3.09Å; D760-H781 IonicContact OD1-CE1 2.76Å; D760-H781 PolarHBondContact OD1-CE1 3.24Å; D760-H781 IonicContact OD1-NE2 3.81Å; D760-H781 PolarHBondContact OD1-NE2 2.87Å; H781-R783 WeakPolarHBondContact O-CD 3.3Å; H781-R783 PolarHBondContact O-N 2.78Å; H781-R783 PolarHBondContact O-NH1 3.27Å; H781-G786 PolarHBondContact CD2-O 3.41Å
782	C	93.7	Very high	87.9	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.304	C	S	.	.			trans	-70.6	124.9	169.9	173.3	0	0	0	0	110.4	S784 C785 G786 Q787 C812	C782-S784 PolarHBondContact O-N 2.64Å; C782-S784 PolarHBondContact SG-N 2.99Å; C782-S784 VanDerWaalsContact SG-N 3.4Å; C782-C785 VanDerWaalsContact CB-SG 3.52Å; C782-C785 PolarHBondContact O-N 3.28Å; C782-G786 WeakPolarHBondContact O-CA 3.44Å; C782-G786 PolarHBondContact O-N 3.38Å; C782-Q787 PolarHBondContact N-O 3.03Å; C782-C812 HydrophobicContact CB-CB 3.98Å; C782-C812 PolarHBondContact SG-N 3.01Å
783	R	90.9	Very high	88.2	Confident	73 Å²	73	52 Å²	52	28%	0.275	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-13.7	-179.9	-79.6	61.8	171.8	172.6	0.6	113.7	Y756 W757 H781 L805 R810	Y756-R783 PolarHBondContact OH-O 3.12Å; W757-R783 HydrophobicContact CZ2-CG 4.34Å; H781-R783 WeakPolarHBondContact O-CD 3.3Å; H781-R783 PolarHBondContact O-N 2.78Å; H781-R783 PolarHBondContact O-NH1 3.27Å; R783-L805 HydrophobicContact CB-CD1 3.8Å; R783-L805 HydrophobicContact CG-CD1 4Å; R783-R810 WeakPolarHBondContact CB-O 3.33Å; R783-R810 WeakPolarHBondContact CD-O 3.45Å; R783-R810 PolarHBondContact N-O 2.98Å
784	S	90.7	Very high	88.4	Confident	6 Å²	6	50.5 Å²	50.5	4%	0.042	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-32.8	176.9	-176.1	0	0	0	0	114.1	C782 K802 R803	C782-S784 PolarHBondContact O-N 2.64Å; C782-S784 PolarHBondContact SG-N 2.99Å; C782-S784 VanDerWaalsContact SG-N 3.4Å; S784-K802 VanDerWaalsContact OG-CE 3.24Å; S784-K802 WeakPolarHBondContact OG-CE 3.47Å; S784-K802 PolarHBondContact OG-NZ 3.39Å; S784-R803 PolarHBondContact O-NH1 3.24Å
785	C	92.3	Very high	89.1	Confident	40 Å²	40	54.5 Å²	54.5	27%	0.27	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.9	-9.1	-177.2	69.3	0	0	0	0	115.8	C782 Q787 C815	C782-C785 VanDerWaalsContact CB-SG 3.52Å; C782-C785 PolarHBondContact O-N 3.28Å; C785-Q787 HydrophobicContact CB-CG 4.42Å; C785-Q787 PolarHBondContact O-N 2.59Å; C785-C815 VanDerWaalsContact SG-SG 3.69Å
786	G	90.4	Very high	90.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.246	C	C	.	.			trans	77.6	-6.5	176.9	0	0	0	0	0	116.6	Y756 W757 Q758 H781 C782	Y756-G786 VanDerWaalsContact CD2-CA 3.49Å; Y756-G786 WeakPolarHBondContact O-CA 3.37Å; W757-G786 WeakPolarHBondContact CA-O 3.34Å; Q758-G786 PolarHBondContact N-O 3.32Å; H781-G786 PolarHBondContact CD2-O 3.41Å; C782-G786 WeakPolarHBondContact O-CA 3.44Å; C782-G786 PolarHBondContact O-N 3.38Å
787	Q	93.5	Very high	90.9	Very high	65 Å²	65	45.4 Å²	45.4	30%	0.304	23%	0.225	S	C	.	.			trans	-71.8	148.4	-176.2	-60.7	-76	-57.5	0	0	112.1	N767 C782 C785	N767-Q787 HydrophobicContact CB-CB 3.95Å; N767-Q787 VanDerWaalsContact ND2-CB 3.3Å; N767-Q787 WeakPolarHBondContact ND2-CB 3.49Å; N767-Q787 VanDerWaalsContact ND2-CG 3.32Å; N767-Q787 WeakPolarHBondContact ND2-CG 3.32Å; N767-Q787 PolarHBondContact ND2-OE1 3.16Å; C782-Q787 PolarHBondContact N-O 3.03Å; C785-Q787 HydrophobicContact CB-CG 4.42Å; C785-Q787 PolarHBondContact O-N 2.59Å
788	G	92.7	Very high	91.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	124.1	176.2	0	0	0	0	0	112.3	N767	N767-G788 WeakPolarHBondContact CB-O 3.24Å; N767-G788 PolarHBondContact N-O 3.01Å
789	V	94.7	Very high	91.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	152.7	-179.8	-67.3	0	0	0	0	111.3	N767 V768 H780 C812	N767-V789 HydrophobicContact CB-CG1 4.3Å; V768-V789 HydrophobicContact CG2-CG1 3.78Å; H780-V789 WeakPolarHBondContact CA-O 3.38Å; H780-V789 WeakPolarHBondContact CB-O 3.22Å; H780-V789 PolarHBondContact N-O 2.66Å; H780-V789 WeakPolarHBondContact O-CG2 3.43Å; H780-V789 PolarHBondContact O-N 3.48Å; V789-C812 HydrophobicContact CB-CB 4.29Å; V789-C812 HydrophobicContact CG1-CB 3.73Å; V789-C812 HydrophobicContact CG2-CB 4Å
790	C	93.8	Very high	90.9	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.02	19%	0.192	C	C	.	.			trans	-84.1	170.3	178.4	69.9	0	0	0	0	112.2	C766 F773 L777 F792 C793 S794	C766-C790 HydrophobicContact CB-CB 4.32Å; C766-C790 PolarHBondContact SG-N 3.42Å; C766-C790 VanDerWaalsContact SG-SG 3.66Å; F773-C790 HydrophobicContact CE1-CB 4.1Å; L777-C790 HydrophobicContact CD1-CB 3.76Å; L777-C790 HydrophobicContact CD2-CB 3.92Å; L777-C790 HydrophobicContact CG-CB 3.84Å; C790-F792 VanDerWaalsContact C-N 3.31Å; C790-F792 PolarHBondContact O-N 3.43Å; C790-C793 PolarHBondContact O-N 2.87Å; C790-C793 VanDerWaalsContact O-N 3.16Å; C790-S794 PolarHBondContact O-N 3.37Å; C790-S794 PolarHBondContact O-OG 3.39Å
791	G	89	Confident	90.1	Very high	28 Å²	28	39.7 Å²	39.7	29%	0.289	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-53.2	-43.3	178.2	0	0	0	0	0	114.3	C793 S794	G791-C793 VanDerWaalsContact C-N 3.33Å; G791-C793 PolarHBondContact O-N 2.81Å; G791-S794 PolarHBondContact O-N 2.96Å
792	F	92.2	Very high	89.6	Confident	156 Å²	156	45.4 Å²	45.4	68%	0.684	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-67.1	-30.9	-179.9	-61.2	-73.2	0	0	0	113.6	C790 Q795	C790-F792 VanDerWaalsContact C-N 3.31Å; C790-F792 PolarHBondContact O-N 3.43Å; F792-Q795 PolarHBondContact O-NE2 2.82Å
793	C	95.5	Very high	88.8	Confident	14 Å²	14	48.4 Å²	48.4	10%	0.095	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-100	22.4	-177	-63.4	0	0	0	0	114	V768 C790 G791 C812 D813	V768-C793 HydrophobicContact CB-CB 3.57Å; V768-C793 HydrophobicContact CG1-CB 3.77Å; V768-C793 HydrophobicContact CG2-CB 3.99Å; C790-C793 PolarHBondContact O-N 2.87Å; C790-C793 VanDerWaalsContact O-N 3.16Å; G791-C793 VanDerWaalsContact C-N 3.33Å; G791-C793 PolarHBondContact O-N 2.81Å; C793-C812 VanDerWaalsContact O-CA 3.27Å; C793-C812 WeakPolarHBondContact O-CA 3.5Å; C793-C812 WeakPolarHBondContact O-CB 3.01Å; C793-D813 WeakPolarHBondContact CA-OD2 3.49Å; C793-D813 PolarHBondContact O-N 2.63Å
794	S	92.4	Very high	87.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.236	C	C	.	.			trans	-153.8	44.4	179.8	59.1	0	0	0	0	111.8	C790 G791 H796 R810 V811 D813	C790-S794 PolarHBondContact O-N 3.37Å; C790-S794 PolarHBondContact O-OG 3.39Å; G791-S794 PolarHBondContact O-N 2.96Å; S794-H796 VanDerWaalsContact C-N 3.3Å; S794-R810 WeakPolarHBondContact O-CG 3.3Å; S794-R810 PolarHBondContact O-NH1 3.23Å; S794-R810 PolarHBondContact OG-NH1 3.42Å; S794-V811 VanDerWaalsContact CA-O 3.24Å; S794-V811 WeakPolarHBondContact CA-O 3.39Å; S794-V811 WeakPolarHBondContact CB-O 3.18Å; S794-D813 PolarHBondContact N-OD1 2.96Å
795	Q	91.5	Very high	86.9	Confident	133 Å²	133	48.7 Å²	48.7	62%	0.621	25%	0.248	S	C	*	.			trans	-75.7	-22.6	-178.7	-66.4	179.5	69.5	0	0	112.2	F792 Y797	F792-Q795 PolarHBondContact O-NE2 2.82Å; Q795-Y797 WeakPolarHBondContact O-CD2 3.28Å
796	H	91.7	Very high	85.8	Confident	64 Å²	64	51.1 Å²	51.1	30%	0.296	26%	0.258	S	S	.	.			trans	-83.8	141.9	-176	-61.4	-74.4	0	0	0	113.6	S794 V811 D813 Y816	S794-H796 VanDerWaalsContact C-N 3.3Å; H796-V811 HydrophobicContact CB-CG2 3.89Å; H796-V811 PolarHBondContact O-N 2.58Å; H796-D813 IonicContact CD2-OD1 2.69Å; H796-Y816 HydrophobicContact CB-CD1 4.39Å; H796-Y816 HydrophobicContact CB-CD2 3.43Å; H796-Y816 VanDerWaalsContact CB-CD2 3.43Å; H796-Y816 HydrophobicContact CB-CE2 3.94Å; H796-Y816 HydrophobicContact CB-CG 3.69Å; H796-Y816 AromaticContact CD2-CD1 3.8Å; H796-Y816 AromaticContact CD2-CG 3.8Å; H796-Y816 AromaticContact CE1-CD1 3.62Å; H796-Y816 AromaticContact CE1-CE1 3.49Å; H796-Y816 VanDerWaalsContact CE1-CE1 3.49Å; H796-Y816 WeakPolarHBondContact CE1-CE1 3.36Å; H796-Y816 AromaticContact CE1-CZ 3.99Å; H796-Y816 AromaticContact CG-CD1 3.67Å; H796-Y816 AromaticContact CG-CD2 3.61Å; H796-Y816 AromaticContact CG-CE2 3.95Å; H796-Y816 AromaticContact CG-CG 3.46Å; H796-Y816 VanDerWaalsContact CG-CG 3.46Å; H796-Y816 AromaticContact ND1-CD1 3.56Å; H796-Y816 AromaticContact ND1-CD2 3.81Å; H796-Y816 AromaticContact ND1-CE1 3.41Å; H796-Y816 WeakPolarHBondContact ND1-CE1 3.29Å; H796-Y816 AromaticContact ND1-CE2 3.68Å; H796-Y816 AromaticContact ND1-CG 3.76Å; H796-Y816 AromaticContact ND1-CZ 3.47Å; H796-Y816 AromaticContact NE2-CD1 3.77Å
797	Y	91.7	Very high	84.7	Confident	124 Å²	124	59.4 Å²	59.4	49%	0.486	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	126.5	172.1	-69.4	-107.3	0	0	0	108.8	Q795 S809 R810	Q795-Y797 WeakPolarHBondContact O-CD2 3.28Å; Y797-S809 WeakPolarHBondContact CA-O 3.21Å; Y797-R810 HydrophobicContact CD1-CB 4.16Å; Y797-R810 HydrophobicContact CE1-CB 3.75Å; Y797-R810 PolarHBondContact OH-NE 2.82Å; Y797-R810 PolarHBondContact OH-NH2 3.09Å; Y797-R810 VanDerWaalsContact OH-NH2 3.07Å
798	Q	88.1	Confident	84.3	Confident	13 Å²	13	60.5 Å²	60.5	6%	0.061	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	156.1	177.8	67.4	-177.3	33.3	0	0	109.9	S809 V811 C815 L820	Q798-S809 PolarHBondContact N-O 2.89Å; Q798-S809 VanDerWaalsContact N-O 3.11Å; Q798-S809 PolarHBondContact O-N 3.48Å; Q798-V811 HydrophobicContact CG-CB 4.49Å; Q798-V811 HydrophobicContact CG-CG1 3.79Å; Q798-V811 HydrophobicContact CG-CG2 3.87Å; Q798-C815 PolarHBondContact NE2-O 3.19Å; Q798-L820 HydrophobicContact CB-CD1 4.06Å; Q798-L820 HydrophobicContact CG-CD1 4.12Å
799	P	80	Confident	84	Confident	48 Å²	48	61.4 Å²	61.4	31%	0.312	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	147.8	166.6	-24.6	35.7	0	0	0	111.1	P801 L805	P799-P801 HydrophobicContact CB-CG 4.43Å; P799-L805 CarbonylContact C-O 3.52Å; P799-L805 WeakPolarHBondContact CA-O 3.31Å
800	V	82.9	Confident	83.9	Confident	3 Å²	3	63.7 Å²	63.7	2%	0.018	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	76.2	171.2	-167.9	0	0	0	0	108.4	K802 R803 G804 L805 V811	V800-K802 VanDerWaalsContact C-N 3.27Å; V800-K802 HydrophobicContact CG1-CD 4.49Å; V800-K802 HydrophobicContact CG1-CG 3.75Å; V800-K802 PolarHBondContact O-N 2.91Å; V800-R803 HydrophobicContact CB-CB 4.27Å; V800-R803 HydrophobicContact CG1-CB 3.73Å; V800-R803 HydrophobicContact CG1-CG 3.65Å; V800-R803 CarbonylContact O-C 3.27Å; V800-R803 WeakPolarHBondContact O-CA 3.27Å; V800-R803 PolarHBondContact O-N 3.27Å; V800-G804 PolarHBondContact O-N 3.44Å; V800-L805 HydrophobicContact CB-CB 4.19Å; V800-L805 PolarHBondContact N-O 3.32Å; V800-L805 PolarHBondContact O-N 3.3Å; V800-L805 VanDerWaalsContact O-N 3.17Å; V800-V811 HydrophobicContact CG2-CG1 4.02Å
801	P	75.1	Confident	83.9	Confident	50 Å²	50	63.6 Å²	63.6	33%	0.325	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-61.3	-35.8	-175.7	-24.2	35.6	0	0	0	112.5	P799 R803 G804	P799-P801 HydrophobicContact CB-CG 4.43Å; P801-R803 PolarHBondContact O-N 3.14Å; P801-G804 PolarHBondContact O-N 2.95Å
802	K	78.5	Confident	84.2	Confident	133 Å²	133	62.3 Å²	62.3	58%	0.578	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-59.5	-2.5	170.1	70.2	171.8	-171.4	-178.8	0	114.9	S784 V800	S784-K802 VanDerWaalsContact OG-CE 3.24Å; S784-K802 WeakPolarHBondContact OG-CE 3.47Å; S784-K802 PolarHBondContact OG-NZ 3.39Å; V800-K802 VanDerWaalsContact C-N 3.27Å; V800-K802 HydrophobicContact CG1-CD 4.49Å; V800-K802 HydrophobicContact CG1-CG 3.75Å; V800-K802 PolarHBondContact O-N 2.91Å
803	R	77.4	Confident	84.2	Confident	63 Å²	63	57.5 Å²	57.5	24%	0.238	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-131.5	14.8	174.8	-63.5	-62.2	177.6	77.5	-15.6	113.2	W488 S784 V800 P801 L805	W488-R803 VanDerWaalsContact CE3-CA 3.5Å; W488-R803 VanDerWaalsContact CZ3-CA 3.48Å; W488-R803 HydrophobicContact CZ3-CB 4.22Å; W488-R803 WeakPolarHBondContact CZ3-O 3.47Å; S784-R803 PolarHBondContact O-NH1 3.24Å; V800-R803 HydrophobicContact CB-CB 4.27Å; V800-R803 HydrophobicContact CG1-CB 3.73Å; V800-R803 HydrophobicContact CG1-CG 3.65Å; V800-R803 CarbonylContact O-C 3.27Å; V800-R803 WeakPolarHBondContact O-CA 3.27Å; V800-R803 PolarHBondContact O-N 3.27Å; P801-R803 PolarHBondContact O-N 3.14Å; R803-L805 HydrophobicContact CB-CD1 4.42Å; R803-L805 PolarHBondContact O-N 3.22Å
804	G	68.6	Low	84.1	Confident	30 Å²	30	64.4 Å²	64.4	31%	0.309	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	28	-180	0	0	0	0	0	113.6	W488 V800 P801	W488-G804 WeakPolarHBondContact O-CA 3.38Å; V800-G804 PolarHBondContact O-N 3.44Å; P801-G804 PolarHBondContact O-N 2.95Å
805	L	72.8	Confident	84.2	Confident	56 Å²	56	65.6 Å²	65.6	29%	0.293	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	74.5	179.7	-66.7	174.4	0	0	0	109.1	R783 P799 V800 R803 F807	R783-L805 HydrophobicContact CB-CD1 3.8Å; R783-L805 HydrophobicContact CG-CD1 4Å; P799-L805 CarbonylContact C-O 3.52Å; P799-L805 WeakPolarHBondContact CA-O 3.31Å; V800-L805 HydrophobicContact CB-CB 4.19Å; V800-L805 PolarHBondContact N-O 3.32Å; V800-L805 PolarHBondContact O-N 3.3Å; V800-L805 VanDerWaalsContact O-N 3.17Å; R803-L805 HydrophobicContact CB-CD1 4.42Å; R803-L805 PolarHBondContact O-N 3.22Å; L805-F807 PolarHBondContact O-N 3Å
806	D	69.5	Low	84.3	Confident	91 Å²	91	63.5 Å²	63.5	49%	0.487	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	-16.5	-176.7	-51.7	-42.4	0	0	0	112.4
807	F	66.9	Low	84.1	Confident	174 Å²	174	66 Å²	66	76%	0.763	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	144.4	174.7	-59	-78.1	0	0	0	112.8	L805 S809	L805-F807 PolarHBondContact O-N 3Å; F807-S809 PolarHBondContact O-N 2.87Å; F807-S809 PolarHBondContact O-OG 2.77Å
808	P	84.5	Confident	83.3	Confident	87 Å²	87	64.7 Å²	64.7	57%	0.565	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-49.7	112.9	178.9	-30.4	36.4	0	0	0	114.3
809	S	86.1	Confident	82.4	Confident	20 Å²	20	70.3 Å²	70.3	14%	0.14	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	142.6	-171.6	-71.1	0	0	0	0	110.7	Y797 Q798 F807 V811	Y797-S809 WeakPolarHBondContact CA-O 3.21Å; Q798-S809 PolarHBondContact N-O 2.89Å; Q798-S809 VanDerWaalsContact N-O 3.11Å; Q798-S809 PolarHBondContact O-N 3.48Å; F807-S809 PolarHBondContact O-N 2.87Å; F807-S809 PolarHBondContact O-OG 2.77Å; S809-V811 PolarHBondContact O-N 3.03Å; S809-V811 VanDerWaalsContact O-N 3.15Å
810	R	92.6	Very high	81.5	Confident	48 Å²	48	71.3 Å²	71.3	18%	0.181	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	118.9	-177.6	-178.4	-176.4	-73	-106.7	8.5	111	H780 R783 S794 Y797	H780-R810 PolarHBondContact CD2-NH1 3.03Å; H780-R810 VanDerWaalsContact CD2-NH1 3.29Å; R783-R810 WeakPolarHBondContact CB-O 3.33Å; R783-R810 WeakPolarHBondContact CD-O 3.45Å; R783-R810 PolarHBondContact N-O 2.98Å; S794-R810 WeakPolarHBondContact O-CG 3.3Å; S794-R810 PolarHBondContact O-NH1 3.23Å; S794-R810 PolarHBondContact OG-NH1 3.42Å; Y797-R810 HydrophobicContact CD1-CB 4.16Å; Y797-R810 HydrophobicContact CE1-CB 3.75Å; Y797-R810 PolarHBondContact OH-NE 2.82Å; Y797-R810 PolarHBondContact OH-NH2 3.09Å; Y797-R810 VanDerWaalsContact OH-NH2 3.07Å
811	V	93.8	Very high	80	Confident	0 Å²	0	79.6 Å²	79.6	0%	0	40%	0.395	C	S	.	.			trans	-111.7	155.9	169.4	-65.4	0	0	0	0	109.9	S794 H796 Q798 V800 S809 C815 Y816	S794-V811 VanDerWaalsContact CA-O 3.24Å; S794-V811 WeakPolarHBondContact CA-O 3.39Å; S794-V811 WeakPolarHBondContact CB-O 3.18Å; H796-V811 HydrophobicContact CB-CG2 3.89Å; H796-V811 PolarHBondContact O-N 2.58Å; Q798-V811 HydrophobicContact CG-CB 4.49Å; Q798-V811 HydrophobicContact CG-CG1 3.79Å; Q798-V811 HydrophobicContact CG-CG2 3.87Å; V800-V811 HydrophobicContact CG2-CG1 4.02Å; S809-V811 PolarHBondContact O-N 3.03Å; S809-V811 VanDerWaalsContact O-N 3.15Å; V811-C815 HydrophobicContact CB-CB 4.07Å; V811-Y816 HydrophobicContact CG2-CD2 4.34Å
812	C	95.6	Very high	78.7	Confident	2 Å²	2	83.1 Å²	83.1	1%	0.014	41%	0.412	C	S	.	.			trans	-76.6	159.7	164.1	66.5	0	0	0	0	110.2	V768 C782 V789 C793 R814 C815 Y816	V768-C812 HydrophobicContact CG2-CB 3.89Å; C782-C812 HydrophobicContact CB-CB 3.98Å; C782-C812 PolarHBondContact SG-N 3.01Å; V789-C812 HydrophobicContact CB-CB 4.29Å; V789-C812 HydrophobicContact CG1-CB 3.73Å; V789-C812 HydrophobicContact CG2-CB 4Å; C793-C812 VanDerWaalsContact O-CA 3.27Å; C793-C812 WeakPolarHBondContact O-CA 3.5Å; C793-C812 WeakPolarHBondContact O-CB 3.01Å; C812-R814 PolarHBondContact O-N 2.89Å; C812-C815 CarbonylContact O-C 3.56Å; C812-C815 WeakPolarHBondContact O-CA 3.4Å; C812-C815 WeakPolarHBondContact O-CB 3.39Å; C812-C815 PolarHBondContact O-N 3.46Å; C812-Y816 PolarHBondContact O-N 3.09Å; C812-Y816 VanDerWaalsContact O-N 3.15Å
813	D	93.5	Very high	77	Confident	55 Å²	55	83.7 Å²	83.7	29%	0.294	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-62.7	-33.8	-173.7	-37.3	-36.4	0	0	0	111.7	C793 S794 H796 C815 Y816	C793-D813 WeakPolarHBondContact CA-OD2 3.49Å; C793-D813 PolarHBondContact O-N 2.63Å; S794-D813 PolarHBondContact N-OD1 2.96Å; H796-D813 IonicContact CD2-OD1 2.69Å; D813-C815 PolarHBondContact O-N 2.89Å; D813-C815 VanDerWaalsContact O-N 3.13Å; D813-Y816 PolarHBondContact O-N 2.78Å
814	R	93.7	Very high	75.4	Confident	159 Å²	159	89.2 Å²	89.2	60%	0.6	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-63.9	-11.3	171.1	-64.1	-174.7	-172.7	174.9	7.5	114.6	N767 V768 C812	N767-R814 PolarHBondContact O-NH1 2.69Å; N767-R814 PolarHBondContact O-NH2 3.48Å; V768-R814 HydrophobicContact CG1-CG 4.5Å; V768-R814 HydrophobicContact CG2-CG 4.19Å; V768-R814 PolarHBondContact O-NH2 2.86Å; C812-R814 PolarHBondContact O-N 2.89Å
815	C	93.9	Very high	74.1	Confident	25 Å²	25	93.6 Å²	93.6	17%	0.169	46%	0.461	C	S	.	.	G	3₁₀ helix	trans	-114.8	-3.6	178.3	-82	0	0	0	0	113.2	C785 Q798 V811 C812 D813	C785-C815 VanDerWaalsContact SG-SG 3.69Å; Q798-C815 PolarHBondContact NE2-O 3.19Å; V811-C815 HydrophobicContact CB-CB 4.07Å; C812-C815 CarbonylContact O-C 3.56Å; C812-C815 WeakPolarHBondContact O-CA 3.4Å; C812-C815 WeakPolarHBondContact O-CB 3.39Å; C812-C815 PolarHBondContact O-N 3.46Å; D813-C815 PolarHBondContact O-N 2.89Å; D813-C815 VanDerWaalsContact O-N 3.13Å
816	Y	93.3	Very high	72.5	Confident	89 Å²	89	94.7 Å²	94.7	35%	0.349	47%	0.473	S	S	.	.			trans	-74.6	136.1	176.7	179.9	-121.7	0	0	0	110.4	H796 V811 C812 D813 P818	H796-Y816 HydrophobicContact CB-CD1 4.39Å; H796-Y816 HydrophobicContact CB-CD2 3.43Å; H796-Y816 VanDerWaalsContact CB-CD2 3.43Å; H796-Y816 HydrophobicContact CB-CE2 3.94Å; H796-Y816 HydrophobicContact CB-CG 3.69Å; H796-Y816 AromaticContact CD2-CD1 3.8Å; H796-Y816 AromaticContact CD2-CG 3.8Å; H796-Y816 AromaticContact CE1-CD1 3.62Å; H796-Y816 AromaticContact CE1-CE1 3.49Å; H796-Y816 VanDerWaalsContact CE1-CE1 3.49Å; H796-Y816 WeakPolarHBondContact CE1-CE1 3.36Å; H796-Y816 AromaticContact CE1-CZ 3.99Å; H796-Y816 AromaticContact CG-CD1 3.67Å; H796-Y816 AromaticContact CG-CD2 3.61Å; H796-Y816 AromaticContact CG-CE2 3.95Å; H796-Y816 AromaticContact CG-CG 3.46Å; H796-Y816 VanDerWaalsContact CG-CG 3.46Å; H796-Y816 AromaticContact ND1-CD1 3.56Å; H796-Y816 AromaticContact ND1-CD2 3.81Å; H796-Y816 AromaticContact ND1-CE1 3.41Å; H796-Y816 WeakPolarHBondContact ND1-CE1 3.29Å; H796-Y816 AromaticContact ND1-CE2 3.68Å; H796-Y816 AromaticContact ND1-CG 3.76Å; H796-Y816 AromaticContact ND1-CZ 3.47Å; H796-Y816 AromaticContact NE2-CD1 3.77Å; V811-Y816 HydrophobicContact CG2-CD2 4.34Å; C812-Y816 PolarHBondContact O-N 3.09Å; C812-Y816 VanDerWaalsContact O-N 3.15Å; D813-Y816 PolarHBondContact O-N 2.78Å; Y816-P818 HydrophobicContact CD1-CG 4.28Å; Y816-P818 HydrophobicContact CE1-CG 3.85Å
817	Q	87.3	Confident	71.2	Confident	115 Å²	115	97.2 Å²	97.2	54%	0.537	48%	0.481	S	S	.	.			trans	-132.9	102.8	-179.3	-73	-176.4	-42.6	0	0	108.8	N819 L820	Q817-N819 PolarHBondContact O-N 1.79Å; Q817-L820 HydrophobicContact CB-CD1 4.3Å; Q817-L820 HydrophobicContact CB-CD2 4.49Å; Q817-L820 HydrophobicContact CB-CG 4Å
818	P	75.1	Confident	69.4	Low	98 Å²	98	99 Å²	99	64%	0.636	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-30	-175.9	-26.4	34.3	0	0	0	114.5	Y816	Y816-P818 HydrophobicContact CD1-CG 4.28Å; Y816-P818 HydrophobicContact CE1-CG 3.85Å
819	N	70	Confident	67.1	Low	130 Å²	130	100.5 Å²	100.5	70%	0.695	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	47	-168.8	-62.1	-5.3	0	0	0	112.6	Q817 K821	Q817-N819 PolarHBondContact O-N 1.79Å; N819-K821 PolarHBondContact O-N 3.04Å
820	L	61.3	Low	64.6	Low	70 Å²	70	104.9 Å²	104.9	37%	0.366	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	18.1	177.7	-85.6	165.9	0	0	0	115.1	Q798 Q817	Q798-L820 HydrophobicContact CB-CD1 4.06Å; Q798-L820 HydrophobicContact CG-CD1 4.12Å; Q817-L820 HydrophobicContact CB-CD1 4.3Å; Q817-L820 HydrophobicContact CB-CD2 4.49Å; Q817-L820 HydrophobicContact CB-CG 4Å
821	K	50.4	Low	61.7	Low	176 Å²	176	109.9 Å²	109.9	77%	0.765	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-18.6	-173.5	-69.6	-173	174.4	-177.1	0	114.9	N819 Y823	N819-K821 PolarHBondContact O-N 3.04Å; K821-Y823 PolarHBondContact O-N 3.07Å
822	D	47	Very low	58.7	Low	124 Å²	124	113.8 Å²	113.8	66%	0.663	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	1.2	-171.3	-53.9	-48.1	0	0	0	114.1
823	Y	44.1	Very low	55.6	Low	145 Å²	145	122.4 Å²	122.4	57%	0.569	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-23.4	-177.2	-173.5	-106.1	0	0	0	113.9	K821 T825	K821-Y823 PolarHBondContact O-N 3.07Å; Y823-T825 VanDerWaalsContact C-N 3.29Å; Y823-T825 PolarHBondContact O-N 3.37Å
824	E	43.2	Very low	52.9	Low	179 Å²	179	129.3 Å²	129.3	84%	0.836	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-19.5	-175.1	-61.7	-169.1	131.6	0	0	113.6
825	T	41.3	Very low	49.9	Very low	122 Å²	122	133 Å²	133	75%	0.748	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-13.6	-168.5	-23	0	0	0	0	114.6	Y823	Y823-T825 VanDerWaalsContact C-N 3.29Å; Y823-T825 PolarHBondContact O-N 3.37Å
826	S	40	Very low	47.1	Very low	79 Å²	79	136.8 Å²	136.8	55%	0.552	69%	0.693	S	S	*	*	S	Bend	trans	-112	-4.9	-165.5	58.5	0	0	0	0	115.8
827	H	40.8	Very low	44.4	Very low	144 Å²	144	139.8 Å²	139.8	67%	0.667	71%	0.714	S	S	*	*			trans	-127.5	46.4	-178.7	-81.7	19.2	0	0	0	113.2
828	R	30.2	Very low	42	Very low	213 Å²	213	140.8 Å²	140.8	80%	0.804	72%	0.723	S	S	*	*			trans	-86.7	119.7	161	172.2	-178.8	-85	-142.1	-2.5	109.1	T830	R828-T830 PolarHBondContact O-N 3.19Å
829	P	36.6	Very low	40.2	Very low	118 Å²	118	144.1 Å²	144.1	77%	0.766	74%	0.735	S	S	*	*			trans	-67.5	112.9	170.8	-16.6	30.9	0	0	0	110.2
830	T	33.4	Very low	38.5	Very low	112 Å²	112	143 Å²	143	69%	0.687	74%	0.744	S	S	*	*			trans	-81	119.2	174	44.5	0	0	0	0	110.3	R828 S832	R828-T830 PolarHBondContact O-N 3.19Å; T830-S832 PolarHBondContact O-N 3.48Å
831	V	30.5	Very low	37.3	Very low	152 Å²	152	143.4 Å²	143.4	92%	0.921	77%	0.765	S	S	*	*			trans	-84.1	89.6	176.9	-177.5	0	0	0	0	109.4
832	S	32.3	Very low	36.7	Very low	83 Å²	83	142.6 Å²	142.6	58%	0.58	77%	0.769	S	S	*	*			trans	-157	121.7	173.6	52.7	0	0	0	0	112.4	T830	T830-S832 PolarHBondContact O-N 3.48Å
833	E	30.8	Very low	36.3	Very low	182 Å²	182	143.3 Å²	143.3	85%	0.85	78%	0.777	S	S	*	*			trans	55.7	95.9	144.5	-55.7	-174.3	121.8	0	0	119.5
834	H	36	Very low	36	Very low	201 Å²	201	141.5 Å²	141.5	93%	0.931	78%	0.783	S	S	*	*			trans	-132.9	134.2	132.2	-107.8	-87.7	0	0	0	109
835	R	31.5	Very low	35.5	Very low	235 Å²	235	139.9 Å²	139.9	89%	0.887	78%	0.781	S	S	*	*			trans	-139.4	160.5	-172.3	-136.1	-177	-175.4	-174.2	0.5	109.8
836	S	33.9	Very low	35.4	Very low	106 Å²	106	143.1 Å²	143.1	74%	0.741	79%	0.787	S	S	*	*			trans	87.3	142.7	164.5	-48.9	0	0	0	0	118
837	L	36.8	Very low	35.1	Very low	151 Å²	151	148.4 Å²	148.4	79%	0.791	80%	0.803	S	S	*	*			trans	67.7	121	172.7	-48.9	174.5	0	0	0	115
838	D	36.7	Very low	34.9	Very low	136 Å²	136	149.6 Å²	149.6	73%	0.727	81%	0.811	S	S	*	*			cis	-145.7	174.7	-7.8	-80.4	-49.9	0	0	0	107.3
839	L	37.2	Very low	35.2	Very low	168 Å²	168	146 Å²	146	88%	0.88	80%	0.804	S	S	*	*			cis	-152.1	159.3	22	-165.9	70.6	0	0	0	109.3
840	A	34.9	Very low	35.2	Very low	107 Å²	107	147.7 Å²	147.7	88%	0.884	80%	0.801	S	S	*	*			trans	-97.7	152.1	-166.6	0	0	0	0	0	116.6
841	G	35.1	Very low	35.1	Very low	79 Å²	79	152.8 Å²	152.8	81%	0.814	81%	0.808	S	S	*	*			trans	-169.8	103.4	173.2	0	0	0	0	0	113.9
842	N	38	Very low	35.4	Very low	159 Å²	159	153.7 Å²	153.7	85%	0.85	80%	0.799	S	S	*	*			trans	-56.3	147.3	-173.1	-90.4	-35.6	0	0	0	117.2
843	V	39.3	Very low	35.5	Very low	138 Å²	138	159.7 Å²	159.7	84%	0.836	81%	0.809	S	S	*	*				-175.7	145.7	109.2	148.4	0	0	0	0	109.8
844	P	36.7	Very low	35.6	Very low	107 Å²	107	157.8 Å²	157.8	70%	0.695	81%	0.805	S	S	*	*			trans	-126.4	155	-151.4	42.2	-28	0	0	0	119
845	N	34.5	Very low	35.4	Very low	146 Å²	146	154.1 Å²	154.1	78%	0.781	80%	0.797	S	S	*	*			trans	64.6	123.2	143.6	-117.9	-7.9	0	0	0	123
846	Q	37.6	Very low	35.5	Very low	189 Å²	189	151.6 Å²	151.6	88%	0.883	80%	0.795	S	S	*	*				-174.8	123.9	110.1	-102.5	171.5	83.1	0	0	113.6
847	Q	34	Very low	35.4	Very low	191 Å²	191	156.1 Å²	156.1	89%	0.893	80%	0.797	S	S	*	*			trans	-154.2	127.4	160.6	-80.6	-162.8	11.4	0	0	112.5
848	M	36.1	Very low	35.4	Very low	168 Å²	168	155.5 Å²	155.5	83%	0.828	80%	0.795	S	S	*	*			trans	-164.7	161.2	168.8	-91.3	-171	65.9	0	0	108.7
849	Q	36.5	Very low	35.5	Very low	139 Å²	139	156 Å²	156	65%	0.65	80%	0.798	S	S	*	*			cis	-169.1	158.4	-33.2	-117.4	-163.3	82.4	0	0	106.3
850	Q	37.7	Very low	35.6	Very low	152 Å²	152	152.6 Å²	152.6	71%	0.71	79%	0.785	S	S	*	*			cis	-148.3	-120.5	-1.7	-161.9	-159.6	107.6	0	0	109.6
851	R	31.9	Very low	35.7	Very low	220 Å²	220	154.3 Å²	154.3	83%	0.83	78%	0.78	S	S	*	*			trans	-152.5	143.1	170.1	-83.4	172.7	152.2	177.3	-7.5	109.1
852	K	35.8	Very low	35.8	Very low	171 Å²	171	155.6 Å²	155.6	74%	0.743	77%	0.771	S	S	*	*				155.7	143.1	127.6	-88.6	167.2	-178.9	174.1	0	116.5
853	R	33.9	Very low	35.9	Very low	209 Å²	209	154.7 Å²	154.7	79%	0.789	77%	0.766	S	S	*	*			trans	80.3	112	145.9	-77.7	-179.1	-69.8	-159.5	1.8	122.1
854	N	33.8	Very low	35.9	Very low	141 Å²	141	154 Å²	154	75%	0.754	76%	0.763	S	S	*	*				59	108	122.2	-63.8	33.6	0	0	0	122
855	T	31.6	Very low	36.1	Very low	125 Å²	125	152.5 Å²	152.5	77%	0.767	76%	0.76	S	S	*	*				29.7	114.7	124.2	58.2	0	0	0	0	120.2
856	Q	34.2	Very low	36.4	Very low	182 Å²	182	153.1 Å²	153.1	85%	0.85	76%	0.757	S	S	*	*				-167.4	136.7	115	-109	176.8	-19.7	0	0	113.6
857	Y	32.2	Very low	36.5	Very low	200 Å²	200	151.2 Å²	151.2	78%	0.784	75%	0.746	S	S	*	*			trans	38.7	129.7	144.7	-83.7	-111.8	0	0	0	123.6
858	N	36.6	Very low	36.8	Very low	138 Å²	138	150.6 Å²	150.6	74%	0.738	74%	0.741	S	S	*	*			trans	67	105.6	138.6	-68.1	12	0	0	0	122.9
859	N	37	Very low	37	Very low	148 Å²	148	148.4 Å²	148.4	79%	0.791	73%	0.732	S	S	*	*				-24	166.1	127.7	-125.2	7.8	0	0	0	116.1
860	P	41	Very low	37.1	Very low	96 Å²	96	146 Å²	146	62%	0.623	73%	0.731	S	S	*	*			cis	-146.5	175.5	9.8	42	-21.6	0	0	0	119.4
861	N	36.5	Very low	37.4	Very low	143 Å²	143	148.1 Å²	148.1	77%	0.765	74%	0.741	S	S	*	*			trans	84.1	140	133	-97.2	-5.1	0	0	0	125.5
862	V	38	Very low	38.1	Very low	105 Å²	105	144.9 Å²	144.9	64%	0.636	78%	0.776	S	S	*	*			trans	96.7	115.5	131	156	0	0	0	0	121.6
863	N	39	Very low	38.2	Very low	140 Å²	140	143.6 Å²	143.6	75%	0.749	78%	0.778	S	S	*	*			trans	64.2	155.1	149.6	-67.9	2.9	0	0	0	118.9
864	T	39.3	Very low	38.5	Very low	123 Å²	123	140.2 Å²	140.2	76%	0.755	78%	0.778	S	S	*	*			cis	-170	161.2	-10.8	25.1	0	0	0	0	106.4
865	A	40.9	Very low	38.7	Very low	77 Å²	77	140.1 Å²	140.1	64%	0.636	78%	0.779	S	S	*	*			cis	-173.4	-179.7	-10.2	0	0	0	0	0	109.2
866	H	40.2	Very low	39.1	Very low	158 Å²	158	141 Å²	141	73%	0.731	78%	0.78	S	S	*	*			trans	70.9	152.3	162.7	-74.2	-3.8	0	0	0	117.9
867	K	40.9	Very low	39.5	Very low	149 Å²	149	138.4 Å²	138.4	65%	0.648	78%	0.775	S	S	*	*			cis	-167.2	143.3	-17.1	-120.6	172.9	179.3	153.3	0	109.3
868	K	40.3	Very low	39.9	Very low	178 Å²	178	134.3 Å²	134.3	77%	0.774	77%	0.774	S	S	*	*			trans	64.1	159.5	154.6	-67.3	-166.3	167	-164.8	0	116.4
869	N	39.4	Very low	40.2	Very low	122 Å²	122	134.1 Å²	134.1	65%	0.652	78%	0.777	S	S	*	*			cis	-153.2	158.8	-6.3	-131.4	47.2	0	0	0	110
870	S	39.8	Very low	40.4	Very low	90 Å²	90	133 Å²	133	63%	0.629	78%	0.776	S	S	*	*			trans	24.8	146.4	138.5	71.7	0	0	0	0	121.2
871	E	43.1	Very low	40.4	Very low	195 Å²	195	136.1 Å²	136.1	91%	0.911	79%	0.789	S	S	*	*			cis	-146.3	163.2	21.9	-65.9	174.2	141.9	0	0	110.7
872	G	47.2	Very low	40.7	Very low	153 Å²	153	135.5 Å²	135.5	100%	1.577	79%	0.791	S	S	*	*			trans	148.2	0	177.3	0	0	0	0	0	113.1

Retrieved 872 of 872 residues in 210.7 ms (Link to these results)

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