A0A087XJN3_POEFO Loading...

ST14 transmembrane serine protease matriptase

AlphaFold DB , UniProt , Accession A0A087XJN3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 848 aa.

						>A0A087XJN3_POEFO|A0A087XJN3
MNSAAYRPQNGNQENRVFLTNEPKSLTTSSTTSSKKKFGVLIAVFLVLLAVLAVAAFLIWFFIFNDDNWGKLSMQRKPSVQLFSGHMKLAGVSYDQELENTSSQDFNTLASTLEDLLVKCYQNDPLLAKYYTGSAVTAFSEGVTAYYWSQFEIPVDDLEIVPEFSEERVLDALEHSIASQSTRSNLDHLKVLEITASLTDARMARKPTEDCFFRLEAVAAEQRFTSPGFPKGYKPQSYCQWQIRAAEENAISVSFPIFHIEDDCSDDFVSIFDSLSPDDSQAITVQCGQRPPTNSLSIVSSGNIMLINFIADTSVQRPGFEAQYKIIPKTEVSQCDAVLTNDEDNFTSPLYPSFYPPARNCTWTIKVSAGNRIRVTFNMFRMKEPGVDVQRCHKDYVEIMGKKYCGEKPPFVLTSESNELQVIFHSDESYTDKGFHATYKTINPADPCPGQWTCSNGFCIDKKRKCDGWNDCGDMSDERNCKCDSDQFTCANGLCKSKLFVCDNSNDCGDMSDEKLCSCQPNEWRCGNGVCLPQDVKCNKMKDCEDGSDEASCENSPDLCSAYSFKCASGECVNKVNAECDAVNDCYDNSDEQSCDCGTRPYKMNRIVGGQNADVGAWPWQVSLHFLQFSHQCGASIISERWLLSAAHCFVNNLTPDHSDPKNWLTYSGLQNQYMTEVAERRKVKRIIPHPDYNEITHDYDIALLELEEVLTWSNTIQPICLPSPSHVFLAGLSCSVTGWGALREGATASLPSMLQEATVKIINDTVCNQVITEQQVTSRMLCSGFLRGGVDACQGDSGGPLSCQEENGKWFQAGIVSWGEGCGRRNKPGVYTRVTMFREWIKKETNI
					

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	34.6	Very low	31	Very low	228 Å²	228	146.5 Å²	146.5	100%	1.123	83%	0.825	S	S	*	*				0	123.8	0	-74.6	164.8	162.1	0	0	106.6
2	N	27.5	Very low	30.7	Very low	161 Å²	161	147.8 Å²	147.8	86%	0.861	83%	0.828	S	S	*	*			trans	-95.5	141.1	-151.8	-49	-4.2	0	0	0	109.8
3	S	26.8	Very low	30.6	Very low	107 Å²	107	148.5 Å²	148.5	75%	0.748	82%	0.821	S	S	*	*			cis	76.1	119.8	9.9	-53.3	0	0	0	0	118.8
4	A	32.1	Very low	30.5	Very low	106 Å²	106	148.1 Å²	148.1	88%	0.876	81%	0.81	S	S	*	*			trans	65.4	152	168.8	0	0	0	0	0	118.2
5	A	31.9	Very low	30.2	Very low	93 Å²	93	147.5 Å²	147.5	77%	0.769	81%	0.806	S	S	*	*			cis	-170.3	-165.9	-22.6	0	0	0	0	0	107.3
6	Y	26.3	Very low	30.2	Very low	179 Å²	179	152.4 Å²	152.4	70%	0.702	81%	0.809	S	S	*	*			cis	-169.5	152	6.2	-165.3	-160.2	0	0	0	111.5
7	R	30.9	Very low	30.1	Very low	193 Å²	193	151.1 Å²	151.1	73%	0.728	81%	0.808	S	S	*	*			trans	65.6	165.6	154.3	-91.5	-179.6	-179	-178.6	-0.6	121.5
8	P	42.1	Very low	30.2	Very low	119 Å²	119	152.7 Å²	152.7	77%	0.773	81%	0.807	S	S	*	*			cis	-129.6	-172.8	-20.1	35.5	-16.2	0	0	0	114.6
9	Q	34.1	Very low	30.1	Very low	183 Å²	183	153.7 Å²	153.7	86%	0.855	81%	0.811	S	S	*	*			trans	-96.7	162.9	-175.9	-59.2	164.7	-64.5	0	0	114.8
10	N	28.6	Very low	30.2	Very low	173 Å²	173	151.2 Å²	151.2	93%	0.925	80%	0.803	S	S	*	*			trans	-166.7	152.6	138.4	-94.5	-18	0	0	0	108
11	G	25.9	Very low	30	Very low	69 Å²	69	150.9 Å²	150.9	71%	0.711	80%	0.801	S	S	*	*			cis	154.4	101.9	-4.4	0	0	0	0	0	110.9
12	N	27.5	Very low	29.9	Very low	162 Å²	162	148.5 Å²	148.5	87%	0.866	79%	0.787	S	S	*	*			trans	-73.3	140.1	176.9	-79.9	-12.6	0	0	0	111.6
13	Q	28.8	Very low	30.8	Very low	158 Å²	158	145.6 Å²	145.6	74%	0.738	78%	0.777	S	S	*	*				-180	145.1	126.8	-104.6	168.1	-76.8	0	0	113.4
14	E	29.3	Very low	30.8	Very low	143 Å²	143	149 Å²	149	67%	0.668	78%	0.779	S	S	*	*			trans	68.9	159.6	141.7	-78.2	161.5	-153.8	0	0	120.7
15	N	26.9	Very low	30.6	Very low	139 Å²	139	149 Å²	149	74%	0.743	77%	0.772	S	S	*	*			cis	-136.7	160	16.6	-132.3	-39.6	0	0	0	115.5
16	R	29.6	Very low	30.3	Very low	226 Å²	226	152.2 Å²	152.2	85%	0.853	78%	0.775	S	S	*	*			trans	-106.6	153.3	164.3	-76.4	-177.8	170.9	-169.7	-2.1	108.8
17	V	29.1	Very low	30.3	Very low	130 Å²	130	148.9 Å²	148.9	79%	0.788	77%	0.774	S	S	*	*				163	138.3	127.6	154.4	0	0	0	0	111.1
18	F	32	Very low	30.1	Very low	180 Å²	180	145.4 Å²	145.4	79%	0.789	77%	0.774	S	S	*	*			trans	-22.5	147.2	167.8	-60.9	-100.9	0	0	0	119
19	L	27.3	Very low	29.6	Very low	171 Å²	171	144.7 Å²	144.7	90%	0.895	77%	0.772	S	S	*	*				-157.1	154.6	117.9	-106.6	166	0	0	0	110.6
20	T	32.8	Very low	29.4	Very low	104 Å²	104	141.3 Å²	141.3	64%	0.638	77%	0.769	S	S	*	*			trans	-113.7	173.6	179.9	58.9	0	0	0	0	111.7
21	N	25.9	Very low	29.3	Very low	144 Å²	144	139.6 Å²	139.6	77%	0.77	76%	0.764	S	S	*	*			trans	90.1	109.5	167	-46.3	-11.5	0	0	0	116.2
22	E	32.5	Very low	29.7	Very low	178 Å²	178	142.6 Å²	142.6	83%	0.832	77%	0.769	S	S	*	*				24.9	153.5	109.8	-88.9	-151.3	-140.6	0	0	120.5
23	P	45.5	Very low	29.9	Very low	101 Å²	101	140.5 Å²	140.5	66%	0.656	77%	0.767	S	S	*	*			cis	-150.9	-171	40.8	31.9	-5.8	0	0	0	118.4
24	K	26.7	Very low	30.3	Very low	179 Å²	179	138.1 Å²	138.1	78%	0.778	77%	0.768	S	S	*	*			trans	104.5	77.2	151.6	-60.7	-177.4	-179.2	177.5	0	121.1
25	S	28	Very low	31	Very low	104 Å²	104	141.2 Å²	141.2	73%	0.727	78%	0.779	S	S	*	*				34.9	131.3	114.2	66	0	0	0	0	122.2
26	L	26.7	Very low	32.1	Very low	161 Å²	161	144.2 Å²	144.2	84%	0.843	79%	0.786	S	S	*	*			trans	-156	118.8	135.9	-136.7	77.5	0	0	0	114.5
27	T	26.2	Very low	33.1	Very low	109 Å²	109	142.6 Å²	142.6	67%	0.669	79%	0.785	S	S	*	*			trans	33	103.9	147.5	55.5	0	0	0	0	123.5
28	T	26.4	Very low	34.1	Very low	121 Å²	121	143.8 Å²	143.8	74%	0.742	78%	0.78	S	S	*	*				49.6	108.7	119.8	57.2	0	0	0	0	123.9
29	S	31	Very low	35.1	Very low	103 Å²	103	137.5 Å²	137.5	72%	0.72	77%	0.766	S	S	*	*				79.1	139.8	120.9	72.3	0	0	0	0	124.3
30	S	30.2	Very low	36.7	Very low	113 Å²	113	134 Å²	134	79%	0.79	75%	0.751	S	S	*	*			trans	73.2	152	166.8	83.6	0	0	0	0	116.6
31	T	27	Very low	37.8	Very low	136 Å²	136	135.2 Å²	135.2	83%	0.834	75%	0.753	S	S	*	*			cis	-133.9	-172.2	7.8	50.9	0	0	0	0	112.8
32	T	33.8	Very low	39.7	Very low	133 Å²	133	132.4 Å²	132.4	82%	0.816	74%	0.737	S	S	*	*			trans	-88.9	151.3	-175.7	52.7	0	0	0	0	115.6
33	S	33.3	Very low	41.3	Very low	118 Å²	118	126.4 Å²	126.4	83%	0.825	72%	0.719	S	S	*	*				159.3	160.8	120.6	-167.8	0	0	0	0	115.5
34	S	36.7	Very low	42.7	Very low	107 Å²	107	125.9 Å²	125.9	75%	0.748	71%	0.713	S	S	*	*			trans	65.7	84.2	154.7	-157.4	0	0	0	0	121.4
35	K	43.8	Very low	44.9	Very low	208 Å²	208	123.8 Å²	123.8	90%	0.904	70%	0.704	S	S	*	*			trans	-142.3	42	154.2	-75.6	-163.6	177.6	179.4	0	114.3
36	K	49.2	Very low	47.2	Very low	202 Å²	202	124 Å²	124	88%	0.878	70%	0.696	S	S	*	*			trans	-96.8	0.6	-177	-107.3	-173.2	178.5	-174.3	0	117.4
37	K	51	Low	49.6	Very low	192 Å²	192	120.8 Å²	120.8	84%	0.835	68%	0.683	S	S	*	*	S	Bend	trans	-104.2	-9.2	-179.4	-70.2	-167.2	175.6	-172.8	0	116.1
38	F	49.2	Very low	52.2	Low	155 Å²	155	120.4 Å²	120.4	68%	0.68	68%	0.677	S	S	*	*	H	α-helix	trans	-88.5	-38.7	-174.3	-152.8	-104.6	0	0	0	113.4	V40 L41 I42	F38-V40 PolarHBondContact O-N 2.93Å; F38-L41 PolarHBondContact O-N 3Å; F38-I42 HydrophobicContact CD1-CD1 3.81Å; F38-I42 HydrophobicContact CE1-CD1 3.91Å; F38-I42 PolarHBondContact O-N 3.47Å
39	G	54.7	Low	54.7	Low	49 Å²	49	118.8 Å²	118.8	51%	0.505	66%	0.663	S	S	.	*	H	α-helix	trans	-65.4	-32.7	-177.7	0	0	0	0	0	114.7	L41 I42 A43	G39-L41 PolarHBondContact O-N 3.28Å; G39-I42 PolarHBondContact O-N 3.07Å; G39-A43 PolarHBondContact O-N 3.23Å
40	V	59.9	Low	57	Low	97 Å²	97	116.6 Å²	116.6	59%	0.588	65%	0.651	S	S	*	*	H	α-helix	trans	-65.7	-39.4	179.6	-177.7	0	0	0	0	111.4	F38 A43 V44	F38-V40 PolarHBondContact O-N 2.93Å; V40-A43 PolarHBondContact O-N 3.07Å; V40-V44 HydrophobicContact CG1-CG2 4.48Å; V40-V44 WeakPolarHBondContact O-CG2 3.34Å; V40-V44 PolarHBondContact O-N 3.1Å
41	L	55.9	Low	59.5	Low	129 Å²	129	115.7 Å²	115.7	68%	0.675	64%	0.641	S	S	*	*	H	α-helix	trans	-64.7	-39.1	176.5	-84.1	161.6	0	0	0	112.1	F38 G39 F45	F38-L41 PolarHBondContact O-N 3Å; G39-L41 PolarHBondContact O-N 3.28Å; L41-F45 VanDerWaalsContact O-CB 3.31Å; L41-F45 WeakPolarHBondContact O-CB 3Å; L41-F45 PolarHBondContact O-N 3.06Å
42	I	66.5	Low	62.1	Low	85 Å²	85	114 Å²	114	44%	0.436	63%	0.626	S	S	.	*	H	α-helix	trans	-66.1	-44.7	176.2	-62.4	171.6	0	0	0	110.5	F38 G39 F45 L46	F38-I42 HydrophobicContact CD1-CD1 3.81Å; F38-I42 HydrophobicContact CE1-CD1 3.91Å; F38-I42 PolarHBondContact O-N 3.47Å; G39-I42 PolarHBondContact O-N 3.07Å; I42-F45 PolarHBondContact O-N 2.81Å; I42-L46 HydrophobicContact CG2-CD1 3.93Å; I42-L46 HydrophobicContact CG2-CG 4.41Å; I42-L46 WeakPolarHBondContact O-CG 3.41Å; I42-L46 PolarHBondContact O-N 2.89Å
43	A	66.3	Low	64.4	Low	53 Å²	53	110.6 Å²	110.6	44%	0.438	61%	0.611	S	S	.	*	H	α-helix	trans	-61.3	-45.9	177.9	0	0	0	0	0	112.3	G39 V40 F45 L46 V47	G39-A43 PolarHBondContact O-N 3.23Å; V40-A43 PolarHBondContact O-N 3.07Å; A43-F45 VanDerWaalsContact C-N 3.35Å; A43-F45 PolarHBondContact O-N 2.8Å; A43-L46 PolarHBondContact O-N 3.43Å; A43-V47 WeakPolarHBondContact O-CG2 2.81Å; A43-V47 PolarHBondContact O-N 2.9Å
44	V	73.3	Confident	66.6	Low	89 Å²	89	109.1 Å²	109.1	54%	0.539	60%	0.597	S	S	.	*	H	α-helix	trans	-63	-40.6	176.3	171.9	0	0	0	0	111.4	V40 V47 L48	V40-V44 HydrophobicContact CG1-CG2 4.48Å; V40-V44 WeakPolarHBondContact O-CG2 3.34Å; V40-V44 PolarHBondContact O-N 3.1Å; V44-V47 PolarHBondContact O-N 2.81Å; V44-L48 WeakPolarHBondContact O-CB 3.29Å; V44-L48 PolarHBondContact O-N 2.91Å
45	F	74.3	Confident	68.8	Low	136 Å²	136	105.9 Å²	105.9	60%	0.596	58%	0.577	S	S	*	*	H	α-helix	trans	-66.4	-38.6	178.2	-168.7	-101.9	0	0	0	112.7	L41 I42 A43 L48 L49	L41-F45 VanDerWaalsContact O-CB 3.31Å; L41-F45 WeakPolarHBondContact O-CB 3Å; L41-F45 PolarHBondContact O-N 3.06Å; I42-F45 PolarHBondContact O-N 2.81Å; A43-F45 VanDerWaalsContact C-N 3.35Å; A43-F45 PolarHBondContact O-N 2.8Å; F45-L48 PolarHBondContact O-N 2.75Å; F45-L49 HydrophobicContact CD1-CD1 3.84Å; F45-L49 HydrophobicContact CE1-CD1 3.52Å; F45-L49 HydrophobicContact CE1-CG 4.29Å; F45-L49 HydrophobicContact CZ-CD1 4.27Å; F45-L49 WeakPolarHBondContact O-CB 3.07Å; F45-L49 PolarHBondContact O-N 2.83Å
46	L	75.4	Confident	70.4	Confident	107 Å²	107	98.7 Å²	98.7	56%	0.56	56%	0.556	S	S	*	*	H	α-helix	trans	-67.6	-41.4	175.1	-72.1	170.9	0	0	0	112.4	I42 A43 L48 L49 A50	I42-L46 HydrophobicContact CG2-CD1 3.93Å; I42-L46 HydrophobicContact CG2-CG 4.41Å; I42-L46 WeakPolarHBondContact O-CG 3.41Å; I42-L46 PolarHBondContact O-N 2.89Å; A43-L46 PolarHBondContact O-N 3.43Å; L46-L48 VanDerWaalsContact C-N 3.35Å; L46-L49 PolarHBondContact O-N 2.65Å; L46-A50 WeakPolarHBondContact O-CB 3.45Å; L46-A50 PolarHBondContact O-N 3.25Å
47	V	77.8	Confident	71.7	Confident	94 Å²	94	94.6 Å²	94.6	57%	0.57	54%	0.539	S	S	*	.	H	α-helix	trans	-63.7	-41.6	173.8	171.6	0	0	0	0	110.9	A43 V44 A50 V51	A43-V47 WeakPolarHBondContact O-CG2 2.81Å; A43-V47 PolarHBondContact O-N 2.9Å; V44-V47 PolarHBondContact O-N 2.81Å; V47-A50 PolarHBondContact O-N 3.34Å; V47-V51 HydrophobicContact CG1-CG2 4.5Å; V47-V51 WeakPolarHBondContact O-CG2 3.42Å; V47-V51 PolarHBondContact O-N 3.37Å
48	L	80.3	Confident	72.9	Confident	101 Å²	101	89.3 Å²	89.3	53%	0.529	52%	0.519	S	S	.	.	H	α-helix	trans	-67.6	-36.1	178.6	-160.3	124.2	0	0	0	112.1	V44 F45 L46 L52	V44-L48 WeakPolarHBondContact O-CB 3.29Å; V44-L48 PolarHBondContact O-N 2.91Å; F45-L48 PolarHBondContact O-N 2.75Å; L46-L48 VanDerWaalsContact C-N 3.35Å; L48-L52 HydrophobicContact CD2-CD1 3.86Å; L48-L52 WeakPolarHBondContact O-CB 3.42Å; L48-L52 VanDerWaalsContact O-CG 3.28Å; L48-L52 WeakPolarHBondContact O-CG 3.45Å; L48-L52 PolarHBondContact O-N 3.29Å
49	L	79.3	Confident	74.2	Confident	88 Å²	88	86.8 Å²	86.8	46%	0.461	51%	0.512	S	S	.	.	H	α-helix	trans	-64.4	-41.2	169.5	-89.4	169.4	0	0	0	112.6	F45 L46 L52 A53	F45-L49 HydrophobicContact CD1-CD1 3.84Å; F45-L49 HydrophobicContact CE1-CD1 3.52Å; F45-L49 HydrophobicContact CE1-CG 4.29Å; F45-L49 HydrophobicContact CZ-CD1 4.27Å; F45-L49 WeakPolarHBondContact O-CB 3.07Å; F45-L49 PolarHBondContact O-N 2.83Å; L46-L49 PolarHBondContact O-N 2.65Å; L49-L52 PolarHBondContact O-N 2.92Å; L49-A53 WeakPolarHBondContact O-CB 3.48Å; L49-A53 PolarHBondContact O-N 2.96Å
50	A	80	Confident	74.9	Confident	56 Å²	56	91.3 Å²	91.3	46%	0.463	51%	0.514	S	S	.	.	H	α-helix	trans	-64.1	-43.4	176.3	0	0	0	0	0	111.7	L46 V47 A53 V54	L46-A50 WeakPolarHBondContact O-CB 3.45Å; L46-A50 PolarHBondContact O-N 3.25Å; V47-A50 PolarHBondContact O-N 3.34Å; A50-A53 PolarHBondContact O-N 2.85Å; A50-V54 WeakPolarHBondContact O-CG2 3.29Å; A50-V54 PolarHBondContact O-N 3.02Å
51	V	81.5	Confident	75.3	Confident	95 Å²	95	90.5 Å²	90.5	58%	0.576	50%	0.502	S	S	*	.	H	α-helix	trans	-63.6	-40.7	174.9	171.8	0	0	0	0	111.4	V47 V54 A55	V47-V51 HydrophobicContact CG1-CG2 4.5Å; V47-V51 WeakPolarHBondContact O-CG2 3.42Å; V47-V51 PolarHBondContact O-N 3.37Å; V51-V54 PolarHBondContact O-N 2.66Å; V51-A55 VanDerWaalsContact O-CB 3.27Å; V51-A55 WeakPolarHBondContact O-CB 3.14Å; V51-A55 PolarHBondContact O-N 2.95Å
52	L	82.7	Confident	75.6	Confident	101 Å²	101	91.3 Å²	91.3	53%	0.529	50%	0.501	S	S	.	.	H	α-helix	trans	-67.3	-35.8	174.7	-74.3	170.5	0	0	0	112.6	L48 L49 A56	L48-L52 HydrophobicContact CD2-CD1 3.86Å; L48-L52 WeakPolarHBondContact O-CB 3.42Å; L48-L52 VanDerWaalsContact O-CG 3.28Å; L48-L52 WeakPolarHBondContact O-CG 3.45Å; L48-L52 PolarHBondContact O-N 3.29Å; L49-L52 PolarHBondContact O-N 2.92Å; L52-A56 VanDerWaalsContact O-CB 3.24Å; L52-A56 WeakPolarHBondContact O-CB 3.35Å; L52-A56 PolarHBondContact O-N 3.24Å
53	A	80.4	Confident	75.3	Confident	61 Å²	61	92.3 Å²	92.3	50%	0.504	51%	0.506	S	S	.	.	H	α-helix	trans	-68.6	-41.8	175.2	0	0	0	0	0	111.9	L49 A50 A56 F57	L49-A53 WeakPolarHBondContact O-CB 3.48Å; L49-A53 PolarHBondContact O-N 2.96Å; A50-A53 PolarHBondContact O-N 2.85Å; A53-A56 PolarHBondContact O-N 2.94Å; A53-F57 VanDerWaalsContact O-CB 3.32Å; A53-F57 WeakPolarHBondContact O-CB 3.34Å; A53-F57 PolarHBondContact O-N 3.4Å
54	V	80.9	Confident	74.7	Confident	86 Å²	86	96.8 Å²	96.8	52%	0.521	52%	0.515	S	S	.	.	H	α-helix	trans	-65.5	-42.6	173.3	171.2	0	0	0	0	110.9	A50 V51 F57 L58	A50-V54 WeakPolarHBondContact O-CG2 3.29Å; A50-V54 PolarHBondContact O-N 3.02Å; V51-V54 PolarHBondContact O-N 2.66Å; V54-F57 PolarHBondContact O-N 2.64Å; V54-L58 HydrophobicContact CG1-CD1 3.9Å; V54-L58 HydrophobicContact CG1-CG 4.36Å; V54-L58 WeakPolarHBondContact O-CB 3.14Å; V54-L58 VanDerWaalsContact O-CG 3.3Å; V54-L58 WeakPolarHBondContact O-CG 3.3Å; V54-L58 PolarHBondContact O-N 2.92Å
55	A	81.5	Confident	73.5	Confident	39 Å²	39	94.3 Å²	94.3	32%	0.322	50%	0.499	S	S	.	.	H	α-helix	trans	-63.2	-42.1	175	0	0	0	0	0	112	V51 L58 I59	V51-A55 VanDerWaalsContact O-CB 3.27Å; V51-A55 WeakPolarHBondContact O-CB 3.14Å; V51-A55 PolarHBondContact O-N 2.95Å; A55-L58 PolarHBondContact O-N 2.67Å; A55-I59 WeakPolarHBondContact O-CB 3.33Å; A55-I59 WeakPolarHBondContact O-CD1 3.25Å; A55-I59 WeakPolarHBondContact O-CG1 3.32Å; A55-I59 PolarHBondContact O-N 2.87Å
56	A	78.5	Confident	72.1	Confident	58 Å²	58	93.2 Å²	93.2	48%	0.479	50%	0.5	S	S	.	.	H	α-helix	trans	-66.1	-38.1	175	0	0	0	0	0	112.3	L52 A53 W60	L52-A56 VanDerWaalsContact O-CB 3.24Å; L52-A56 WeakPolarHBondContact O-CB 3.35Å; L52-A56 PolarHBondContact O-N 3.24Å; A53-A56 PolarHBondContact O-N 2.94Å; A56-W60 VanDerWaalsContact O-CB 3.28Å; A56-W60 WeakPolarHBondContact O-CB 3.42Å; A56-W60 PolarHBondContact O-N 3.35Å
57	F	77.1	Confident	70.6	Confident	116 Å²	116	94.9 Å²	94.9	51%	0.509	51%	0.509	S	S	.	.	H	α-helix	trans	-66.1	-42.4	174.1	179.9	-96.4	0	0	0	111.9	A53 V54 W60 F61	A53-F57 VanDerWaalsContact O-CB 3.32Å; A53-F57 WeakPolarHBondContact O-CB 3.34Å; A53-F57 PolarHBondContact O-N 3.4Å; V54-F57 PolarHBondContact O-N 2.64Å; F57-W60 HydrophobicContact CD2-CE3 4.05Å; F57-W60 HydrophobicContact CD2-CZ3 4.36Å; F57-W60 AromaticContact CE2-CE3 3.97Å; F57-W60 HydrophobicContact CE2-CE3 3.97Å; F57-W60 AromaticContact CE2-CZ3 3.85Å; F57-W60 HydrophobicContact CE2-CZ3 3.85Å; F57-W60 PolarHBondContact O-N 2.89Å; F57-F61 VanDerWaalsContact O-CB 3.25Å; F57-F61 WeakPolarHBondContact O-CB 3.37Å; F57-F61 PolarHBondContact O-N 2.83Å
58	L	74.8	Confident	68.8	Low	81 Å²	81	95.7 Å²	95.7	42%	0.424	51%	0.51	S	S	.	.	H	α-helix	trans	-66.7	-41.2	175.2	-71.3	170.4	0	0	0	111.7	V54 A55 W60 F61 F62	V54-L58 HydrophobicContact CG1-CD1 3.9Å; V54-L58 HydrophobicContact CG1-CG 4.36Å; V54-L58 WeakPolarHBondContact O-CB 3.14Å; V54-L58 VanDerWaalsContact O-CG 3.3Å; V54-L58 WeakPolarHBondContact O-CG 3.3Å; V54-L58 PolarHBondContact O-N 2.92Å; A55-L58 PolarHBondContact O-N 2.67Å; L58-W60 VanDerWaalsContact C-N 3.32Å; L58-W60 PolarHBondContact O-N 3.12Å; L58-F61 PolarHBondContact O-N 2.86Å; L58-F62 HydrophobicContact CD2-CE2 4.29Å; L58-F62 WeakPolarHBondContact O-CB 3.49Å; L58-F62 WeakPolarHBondContact O-CD2 3.37Å; L58-F62 PolarHBondContact O-N 2.83Å
59	I	76.5	Confident	66.9	Low	101 Å²	101	100 Å²	100	52%	0.518	52%	0.52	S	S	.	.	H	α-helix	trans	-63.1	-39.6	173.5	-72.3	166	0	0	0	110.7	A55 I63	A55-I59 WeakPolarHBondContact O-CB 3.33Å; A55-I59 WeakPolarHBondContact O-CD1 3.25Å; A55-I59 WeakPolarHBondContact O-CG1 3.32Å; A55-I59 PolarHBondContact O-N 2.87Å; I59-I63 HydrophobicContact CG2-CD1 3.92Å; I59-I63 HydrophobicContact CG2-CG1 4.45Å; I59-I63 VanDerWaalsContact O-CB 3.25Å; I59-I63 WeakPolarHBondContact O-CB 3.44Å; I59-I63 WeakPolarHBondContact O-CG1 3.39Å; I59-I63 PolarHBondContact O-N 3.13Å
60	W	70.5	Confident	64.9	Low	145 Å²	145	98.7 Å²	98.7	55%	0.549	53%	0.527	S	S	.	.	H	α-helix	trans	-65.5	-43.3	173.2	179.3	73.3	0	0	0	111.8	A56 F57 L58 F62 F64 N65	A56-W60 VanDerWaalsContact O-CB 3.28Å; A56-W60 WeakPolarHBondContact O-CB 3.42Å; A56-W60 PolarHBondContact O-N 3.35Å; F57-W60 HydrophobicContact CD2-CE3 4.05Å; F57-W60 HydrophobicContact CD2-CZ3 4.36Å; F57-W60 AromaticContact CE2-CE3 3.97Å; F57-W60 HydrophobicContact CE2-CE3 3.97Å; F57-W60 AromaticContact CE2-CZ3 3.85Å; F57-W60 HydrophobicContact CE2-CZ3 3.85Å; F57-W60 PolarHBondContact O-N 2.89Å; L58-W60 VanDerWaalsContact C-N 3.32Å; L58-W60 PolarHBondContact O-N 3.12Å; W60-F62 PolarHBondContact O-N 3.49Å; W60-F64 AromaticContact CD1-CD2 3.95Å; W60-F64 AromaticContact CD1-CG 3.99Å; W60-F64 HydrophobicContact CG-CB 4.4Å; W60-F64 WeakPolarHBondContact O-CA 3.02Å; W60-F64 WeakPolarHBondContact O-CB 3.49Å; W60-F64 PolarHBondContact O-N 2.88Å; W60-N65 PolarHBondContact O-N 3.21Å
61	F	67.6	Low	62.9	Low	80 Å²	80	103.9 Å²	103.9	35%	0.351	54%	0.539	S	S	.	.	H	α-helix	trans	-67.2	-30.4	178.2	-171.6	-93.1	0	0	0	113.6	F57 L58 N65	F57-F61 VanDerWaalsContact O-CB 3.25Å; F57-F61 WeakPolarHBondContact O-CB 3.37Å; F57-F61 PolarHBondContact O-N 2.83Å; L58-F61 PolarHBondContact O-N 2.86Å; F61-N65 WeakPolarHBondContact O-CB 3.04Å
62	F	61.8	Low	60.7	Low	146 Å²	146	106.8 Å²	106.8	64%	0.64	55%	0.551	S	S	*	*	H	α-helix	trans	-102.3	-3.5	-179.7	-78.3	-71.5	0	0	0	115.2	L58 W60	L58-F62 HydrophobicContact CD2-CE2 4.29Å; L58-F62 WeakPolarHBondContact O-CB 3.49Å; L58-F62 WeakPolarHBondContact O-CD2 3.37Å; L58-F62 PolarHBondContact O-N 2.83Å; W60-F62 PolarHBondContact O-N 3.49Å
63	I	61.6	Low	58.5	Low	105 Å²	105	106.1 Å²	106.1	54%	0.538	56%	0.555	S	S	.	*	H	α-helix	trans	-123.8	-28.1	176	-56.4	-173.5	0	0	0	112.6	I59	I59-I63 HydrophobicContact CG2-CD1 3.92Å; I59-I63 HydrophobicContact CG2-CG1 4.45Å; I59-I63 VanDerWaalsContact O-CB 3.25Å; I59-I63 WeakPolarHBondContact O-CB 3.44Å; I59-I63 WeakPolarHBondContact O-CG1 3.39Å; I59-I63 PolarHBondContact O-N 3.13Å
64	F	52.2	Low	56.7	Low	147 Å²	147	110.7 Å²	110.7	65%	0.645	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.3	-3.5	-178.6	-71.3	-84.9	0	0	0	114.2	W60	W60-F64 AromaticContact CD1-CD2 3.95Å; W60-F64 AromaticContact CD1-CG 3.99Å; W60-F64 HydrophobicContact CG-CB 4.4Å; W60-F64 WeakPolarHBondContact O-CA 3.02Å; W60-F64 WeakPolarHBondContact O-CB 3.49Å; W60-F64 PolarHBondContact O-N 2.88Å
65	N	48.5	Very low	54.7	Low	38 Å²	38	114.3 Å²	114.3	20%	0.203	58%	0.579	C	S	.	*	S	Bend	trans	-94.4	-3.9	173.4	-152.7	25.2	0	0	0	113.4	W60 F61 D67 N68 W69	W60-N65 PolarHBondContact O-N 3.21Å; F61-N65 WeakPolarHBondContact O-CB 3.04Å; N65-D67 PolarHBondContact O-N 2.93Å; N65-N68 PolarHBondContact O-N 3.43Å; N65-N68 WeakPolarHBondContact OD1-CB 3.02Å; N65-W69 PolarHBondContact O-N 3.04Å
66	D	45.2	Very low	53.3	Low	113 Å²	113	119.8 Å²	119.8	60%	0.604	59%	0.591	S	S	*	*	H	α-helix	trans	-54.5	-39.7	173.8	-86.5	-29.4	0	0	0	111.6	N68 W69 G70	D66-N68 PolarHBondContact O-N 3.23Å; D66-N68 VanDerWaalsContact O-N 3.1Å; D66-W69 PolarHBondContact O-N 2.86Å; D66-G70 PolarHBondContact O-N 3.12Å
67	D	44.6	Very low	52.5	Low	141 Å²	141	124.5 Å²	124.5	75%	0.754	60%	0.601	S	S	*	*	H	α-helix	trans	-63.9	-13.8	176.8	-88.2	-29.9	0	0	0	114.2	N65	N65-D67 PolarHBondContact O-N 2.93Å
68	N	40.3	Very low	52.5	Low	111 Å²	111	122.6 Å²	122.6	59%	0.594	60%	0.6	S	S	*	*	H	α-helix	trans	-110.3	-27	178.1	-127.2	14.5	0	0	0	112.8	N65 D66 G70 K71	N65-N68 PolarHBondContact O-N 3.43Å; N65-N68 WeakPolarHBondContact OD1-CB 3.02Å; D66-N68 PolarHBondContact O-N 3.23Å; D66-N68 VanDerWaalsContact O-N 3.1Å; N68-G70 VanDerWaalsContact C-N 3.35Å; N68-K71 PolarHBondContact O-N 2.93Å
69	W	38.8	Very low	52.8	Low	192 Å²	192	120.1 Å²	120.1	73%	0.727	59%	0.589	S	S	*	*	H	α-helix	trans	-70	-34.1	164.4	-84	47.9	0	0	0	111.3	N65 D66 K71 L72	N65-W69 PolarHBondContact O-N 3.04Å; D66-W69 PolarHBondContact O-N 2.86Å; W69-K71 PolarHBondContact O-N 2.82Å; W69-L72 PolarHBondContact O-N 2.99Å; W69-L72 VanDerWaalsContact O-N 3.13Å
70	G	37.8	Very low	53.2	Low	60 Å²	60	117.6 Å²	117.6	62%	0.619	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-0.3	171.7	0	0	0	0	0	115.7	D66 N68	D66-G70 PolarHBondContact O-N 3.12Å; N68-G70 VanDerWaalsContact C-N 3.35Å
71	K	37.8	Very low	54.1	Low	165 Å²	165	111.9 Å²	111.9	72%	0.717	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.8	0.4	173.2	-76.8	179.3	-178.4	164.7	0	114.9	N68 W69 S73	N68-K71 PolarHBondContact O-N 2.93Å; W69-K71 PolarHBondContact O-N 2.82Å; K71-S73 PolarHBondContact O-N 2.94Å
72	L	36.2	Very low	55.1	Low	156 Å²	156	108.1 Å²	108.1	82%	0.817	54%	0.542	S	S	*	.			trans	-89.1	50.5	158.3	-143.3	81.8	0	0	0	110.1	W69 M74	W69-L72 PolarHBondContact O-N 2.99Å; W69-L72 VanDerWaalsContact O-N 3.13Å; L72-M74 PolarHBondContact O-N 2.03Å
73	S	37	Very low	56.5	Low	88 Å²	88	101.2 Å²	101.2	62%	0.615	51%	0.511	S	S	*	.			trans	-71.2	74	171	65.4	0	0	0	0	109.5	K71 Q75	K71-S73 PolarHBondContact O-N 2.94Å; S73-Q75 PolarHBondContact O-N 2.97Å
74	M	41.2	Very low	57.9	Low	156 Å²	156	96.2 Å²	96.2	77%	0.768	49%	0.486	S	S	*	.			trans	-45.1	110.1	153	-179.4	-174.2	-170.8	0	0	106.2	L72 R76	L72-M74 PolarHBondContact O-N 2.03Å; M74-R76 PolarHBondContact O-N 3.27Å
75	Q	39.3	Very low	59.7	Low	163 Å²	163	89.2 Å²	89.2	76%	0.762	46%	0.455	S	S	*	.			trans	-71.4	78.7	-176.6	-75.6	-170	-16.6	0	0	109.2	S73 K77	S73-Q75 PolarHBondContact O-N 2.97Å; Q75-K77 PolarHBondContact O-N 3.22Å
76	R	52.4	Low	61.7	Low	154 Å²	154	87.6 Å²	87.6	58%	0.581	45%	0.446	S	S	*	.			trans	-57.1	103.3	165	-66	-175.8	-178.7	-168.7	-0.5	106.5	M74 V155 L158	M74-R76 PolarHBondContact O-N 3.27Å; R76-V155 HydrophobicContact CB-CG1 3.63Å; R76-V155 WeakPolarHBondContact O-CG2 3.43Å; R76-L158 HydrophobicContact CB-CD1 3.99Å; R76-L158 HydrophobicContact CG-CD1 4.43Å
77	K	62.3	Low	63.9	Low	157 Å²	157	82.2 Å²	82.2	68%	0.683	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-75.7	154.3	169.9	-67.7	171	-175	170.2	0	107.8	Q75	Q75-K77 PolarHBondContact O-N 3.22Å
78	P	75.4	Confident	66	Low	75 Å²	75	78.1 Å²	78.1	49%	0.487	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-55.6	142.3	167.4	26.1	-34.6	0	0	0	109.3	I153	P78-I153 CarbonylContact C-O 3.55Å; P78-I153 VanDerWaalsContact CA-O 3.32Å; P78-I153 WeakPolarHBondContact CA-O 3.37Å; P78-I153 WeakPolarHBondContact CB-O 3.34Å
79	S	81.6	Confident	68.2	Low	29 Å²	29	73.3 Å²	73.3	20%	0.203	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	134.2	175.5	-175.4	0	0	0	0	108.8	Q81 I153 L158	S79-Q81 PolarHBondContact OG-NE2 2.9Å; S79-I153 PolarHBondContact N-O 3.21Å; S79-I153 PolarHBondContact O-N 2.79Å; S79-L158 VanDerWaalsContact CB-CD2 3.48Å
80	V	85.8	Confident	70.2	Confident	48 Å²	48	65.6 Å²	65.6	29%	0.291	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	118.8	173.8	-173.2	0	0	0	0	106.9	Q150 F151 E152 A201	V80-Q150 HydrophobicContact CG1-CG 3.69Å; V80-F151 WeakPolarHBondContact CA-O 3.37Å; V80-E152 HydrophobicContact CG1-CG 4.42Å; V80-E152 HydrophobicContact CG2-CG 4.26Å; V80-A201 HydrophobicContact CB-CB 3.8Å; V80-A201 HydrophobicContact CG1-CB 3.84Å; V80-A201 WeakPolarHBondContact O-CB 3.39Å
81	Q	88.6	Confident	71.8	Confident	25 Å²	25	66 Å²	66	12%	0.117	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	125.8	172.3	-58.2	-60.3	-49.2	0	0	107.7	S79 F83 F151 I153 F164	S79-Q81 PolarHBondContact OG-NE2 2.9Å; Q81-F83 HydrophobicContact CB-CE2 3.93Å; Q81-F151 HydrophobicContact CB-CB 4.41Å; Q81-F151 PolarHBondContact N-O 2.69Å; Q81-F151 PolarHBondContact O-N 2.8Å; Q81-I153 HydrophobicContact CG-CD1 3.73Å; Q81-F164 HydrophobicContact CG-CB 4.43Å; Q81-F164 HydrophobicContact CG-CG 4.49Å
82	L	89.3	Confident	73.7	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.01	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	124.8	177.7	-179.6	66.3	0	0	0	107.9	W148 Q150 T199 A201 M203 A204	L82-W148 HydrophobicContact CD1-CB 3.85Å; L82-W148 HydrophobicContact CD1-CD2 4.11Å; L82-W148 HydrophobicContact CD1-CE3 3.76Å; L82-W148 HydrophobicContact CD1-CG 4.16Å; L82-Q150 HydrophobicContact CD1-CB 4.33Å; L82-T199 HydrophobicContact CD2-CG2 3.94Å; L82-T199 PolarHBondContact O-N 2.73Å; L82-A201 HydrophobicContact CB-CB 4.31Å; L82-M203 HydrophobicContact CD2-CB 4.24Å; L82-A204 HydrophobicContact CD1-CB 3.75Å; L82-A204 HydrophobicContact CD2-CB 3.75Å; L82-A204 HydrophobicContact CG-CB 4.29Å
83	F	91	Very high	75.6	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	120.6	171.6	-65.8	-90.4	0	0	0	108.9	Q81 W148 S149 F151 F164 E166 V169 S197 L198	Q81-F83 HydrophobicContact CB-CE2 3.93Å; F83-W148 CarbonylContact O-C 3.38Å; F83-W148 VanDerWaalsContact O-CA 3.25Å; F83-W148 WeakPolarHBondContact O-CA 3.36Å; F83-S149 PolarHBondContact N-O 3.1Å; F83-S149 PolarHBondContact O-N 2.89Å; F83-F151 AromaticContact CD2-CD2 3.84Å; F83-F151 HydrophobicContact CD2-CD2 3.84Å; F83-F151 AromaticContact CD2-CE2 3.74Å; F83-F151 HydrophobicContact CD2-CE2 3.74Å; F83-F151 HydrophobicContact CE2-CD2 4.16Å; F83-F151 HydrophobicContact CE2-CE2 4.32Å; F83-F164 HydrophobicContact CE2-CD1 4.41Å; F83-F164 HydrophobicContact CZ-CB 4.35Å; F83-E166 HydrophobicContact CD1-CG 4.48Å; F83-E166 HydrophobicContact CE1-CG 4.07Å; F83-V169 HydrophobicContact CB-CG1 4.28Å; F83-V169 HydrophobicContact CD1-CB 4.3Å; F83-V169 HydrophobicContact CD1-CG1 4.29Å; F83-V169 HydrophobicContact CD1-CG2 4.05Å; F83-V169 HydrophobicContact CD2-CG2 4.02Å; F83-V169 HydrophobicContact CE1-CB 4.44Å; F83-V169 HydrophobicContact CE1-CG2 3.87Å; F83-V169 HydrophobicContact CE2-CG2 3.82Å; F83-V169 HydrophobicContact CG-CB 4.5Å; F83-V169 HydrophobicContact CG-CG1 4.1Å; F83-V169 HydrophobicContact CG-CG2 4.13Å; F83-V169 HydrophobicContact CZ-CG2 3.75Å; F83-S197 CarbonylContact C-O 3.52Å; F83-S197 WeakPolarHBondContact CA-O 3.43Å; F83-L198 HydrophobicContact CD1-CB 4.44Å; F83-L198 HydrophobicContact CD1-CD1 4.43Å; F83-L198 HydrophobicContact CE1-CB 4.15Å; F83-L198 HydrophobicContact CE1-CD1 3.91Å; F83-L198 HydrophobicContact CE2-CD1 4.34Å; F83-L198 HydrophobicContact CZ-CD1 3.86Å
84	S	91.2	Very high	77.6	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	157.5	174.4	-52.4	0	0	0	0	110.2	A196 S197 T199 P277	S84-A196 CarbonylContact O-C 3.44Å; S84-A196 WeakPolarHBondContact O-CA 3.03Å; S84-S197 PolarHBondContact N-O 2.6Å; S84-S197 PolarHBondContact O-N 2.91Å; S84-S197 PolarHBondContact O-OG 2.81Å; S84-T199 WeakPolarHBondContact CB-OG1 3.4Å; S84-T199 PolarHBondContact N-OG1 2.84Å; S84-T199 WeakPolarHBondContact OG-CB 3.37Å; S84-T199 PolarHBondContact OG-OG1 2.9Å; S84-P277 WeakPolarHBondContact CB-O 3.44Å; S84-P277 PolarHBondContact OG-O 3.18Å
85	G	89.8	Confident	79.4	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.2	-173.6	-177.9	0	0	0	0	0	113.4	Y146 Y147 T195	G85-Y146 WeakPolarHBondContact O-CA 3.49Å; G85-Y147 PolarHBondContact N-O 2.83Å; G85-Y147 VanDerWaalsContact N-O 3.08Å; G85-Y147 PolarHBondContact O-N 3.46Å; G85-T195 WeakPolarHBondContact CA-O 3.41Å; G85-T195 WeakPolarHBondContact CA-OG1 3.15Å
86	H	90.9	Very high	81.3	Confident	4 Å²	4	52.5 Å²	52.5	2%	0.019	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	157.9	174.7	71.9	-83.8	0	0	0	111.5	K88 T144 A145 Y146 I194 T195 D278 Q281	H86-K88 WeakPolarHBondContact NE2-CE 3.47Å; H86-T144 HydrophobicContact CB-CG2 3.82Å; H86-A145 CarbonylContact C-O 3.51Å; H86-A145 VanDerWaalsContact CA-O 3.27Å; H86-A145 WeakPolarHBondContact CA-O 3.17Å; H86-Y146 HydrophobicContact CB-CD1 3.6Å; H86-Y146 HydrophobicContact CB-CE1 3.91Å; H86-Y146 HydrophobicContact CB-CG 4.24Å; H86-I194 CarbonylContact O-C 3.51Å; H86-I194 WeakPolarHBondContact O-CA 3.39Å; H86-T195 WeakPolarHBondContact CE1-CG2 3.45Å; H86-T195 PolarHBondContact N-OG1 2.63Å; H86-T195 PolarHBondContact ND1-OG1 3.36Å; H86-T195 PolarHBondContact O-N 2.79Å; H86-D278 IonicContact CE1-OD2 2.88Å; H86-D278 IonicContact ND1-OD2 2.73Å; H86-D278 PolarHBondContact ND1-OD2 2.85Å; H86-Q281 PolarHBondContact CE1-NE2 3.05Å; H86-Q281 VanDerWaalsContact CE1-NE2 3.34Å; H86-Q281 PolarHBondContact ND1-NE2 3.14Å
87	M	89.9	Confident	82.7	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	130.6	175.9	62.6	-179.1	82	0	0	110.4	L89 L113 L117 T144 A145 Y147 V191 E193 I194	M87-L89 HydrophobicContact CG-CD2 4.08Å; M87-L89 HydrophobicContact SD-CD2 4.2Å; M87-L113 HydrophobicContact SD-CB 4.24Å; M87-L113 HydrophobicContact SD-CD1 4.13Å; M87-L113 HydrophobicContact SD-CD2 3.8Å; M87-L113 HydrophobicContact SD-CG 4.26Å; M87-L117 HydrophobicContact CE-CD1 4.1Å; M87-L117 HydrophobicContact CE-CD2 3.96Å; M87-L117 HydrophobicContact CE-CG 4.11Å; M87-T144 WeakPolarHBondContact O-CA 3.36Å; M87-A145 HydrophobicContact CG-CB 3.83Å; M87-A145 PolarHBondContact N-O 2.77Å; M87-A145 PolarHBondContact O-N 2.92Å; M87-Y147 HydrophobicContact CE-CD1 3.43Å; M87-Y147 VanDerWaalsContact CE-CD1 3.43Å; M87-Y147 HydrophobicContact CE-CE1 3.54Å; M87-Y147 HydrophobicContact CE-CG 4.07Å; M87-V191 HydrophobicContact CB-CG1 4.11Å; M87-V191 HydrophobicContact SD-CG2 4.46Å; M87-E193 VanDerWaalsContact CA-O 3.29Å; M87-E193 WeakPolarHBondContact CA-O 3.11Å; M87-I194 HydrophobicContact CB-CB 4.36Å; M87-I194 HydrophobicContact CB-CD1 4.2Å; M87-I194 HydrophobicContact CB-CG1 4.09Å; M87-I194 HydrophobicContact CE-CD1 4.22Å
88	K	88.5	Confident	83.8	Confident	55 Å²	55	43.9 Å²	43.9	24%	0.239	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	120.8	-178.6	-61.2	175.9	-166.6	151.3	0	109.2	H86 T144 L192 E193	H86-K88 WeakPolarHBondContact NE2-CE 3.47Å; K88-T144 HydrophobicContact CG-CG2 4.29Å; K88-L192 PolarHBondContact O-N 2.99Å; K88-E193 HydrophobicContact CB-CB 4.29Å; K88-E193 HydrophobicContact CD-CB 4.28Å; K88-E193 VanDerWaalsContact CD-OE2 3.32Å; K88-E193 WeakPolarHBondContact CD-OE2 3.29Å; K88-E193 HydrophobicContact CG-CB 4.48Å; K88-E193 PolarHBondContact N-O 2.99Å; K88-E193 IonicContact NZ-OE1 3.54Å; K88-E193 PolarHBondContact NZ-OE1 3.25Å; K88-E193 IonicContact NZ-OE2 2.69Å; K88-E193 PolarHBondContact NZ-OE2 3.17Å
89	L	87	Confident	84.1	Confident	10 Å²	10	42.4 Å²	42.4	5%	0.052	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	144.7	-170.3	-54.6	178.9	0	0	0	112.4	M87 L113 V143 A145 L189 V191	M87-L89 HydrophobicContact CG-CD2 4.08Å; M87-L89 HydrophobicContact SD-CD2 4.2Å; L89-L113 HydrophobicContact CD1-CD1 3.8Å; L89-L113 HydrophobicContact CD1-CD2 4.21Å; L89-L113 HydrophobicContact CD2-CD2 4.06Å; L89-V143 HydrophobicContact CB-CB 4.3Å; L89-V143 HydrophobicContact CB-CG1 4.16Å; L89-V143 WeakPolarHBondContact CB-O 3.11Å; L89-V143 HydrophobicContact CD1-CG1 3.99Å; L89-V143 WeakPolarHBondContact CG-O 3.06Å; L89-V143 PolarHBondContact N-O 2.73Å; L89-V143 VanDerWaalsContact N-O 3.16Å; L89-A145 HydrophobicContact CD1-CB 4.29Å; L89-L189 HydrophobicContact CB-CD1 4.47Å; L89-L189 HydrophobicContact CD1-CD1 4.24Å; L89-L189 HydrophobicContact CD2-CD1 4.33Å; L89-V191 HydrophobicContact CD2-CG2 3.88Å
90	A	81.3	Confident	84.1	Confident	29 Å²	29	44.7 Å²	44.7	24%	0.24	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.8	173.5	0	0	0	0	0	111.2	K190 L192	A90-K190 HydrophobicContact CB-CB 4.42Å; A90-K190 PolarHBondContact N-O 3.16Å; A90-K190 PolarHBondContact O-N 2.9Å; A90-L192 HydrophobicContact CB-CD1 3.97Å; A90-L192 HydrophobicContact CB-CD2 3.77Å; A90-L192 HydrophobicContact CB-CG 3.75Å
91	G	71.6	Confident	83.9	Confident	68 Å²	68	44.1 Å²	44.1	70%	0.701	25%	0.248	S	C	*	.	S	Bend	trans	95.2	-14.6	-175.2	0	0	0	0	0	114.1	H188	G91-H188 CarbonylContact C-O 3.48Å; G91-H188 WeakPolarHBondContact CA-O 3.21Å
92	V	77.8	Confident	83.7	Confident	48 Å²	48	47.6 Å²	47.6	29%	0.291	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-96.6	139.1	173.4	-174	0	0	0	0	109.5	L109 V143 L189	V92-L109 HydrophobicContact CG1-CD2 4.42Å; V92-V143 HydrophobicContact CB-CB 4.5Å; V92-V143 HydrophobicContact CB-CG1 4.02Å; V92-V143 HydrophobicContact CB-CG2 4.24Å; V92-V143 HydrophobicContact CG1-CG1 3.79Å; V92-V143 HydrophobicContact CG1-CG2 4.14Å; V92-L189 HydrophobicContact CG2-CD1 3.69Å
93	S	76.1	Confident	83.7	Confident	99 Å²	99	48 Å²	48	69%	0.692	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-90.3	136.9	166.9	50.6	0	0	0	0	110.2
94	Y	78.7	Confident	83.6	Confident	75 Å²	75	55.5 Å²	55.5	29%	0.294	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-63.3	135.4	172.3	179.7	-111.8	0	0	0	110.9	E99 S140 E141	Y94-E99 VanDerWaalsContact OH-CG 3.26Å; Y94-E99 WeakPolarHBondContact OH-CG 3.31Å; Y94-E99 PolarHBondContact OH-OE1 2.02Å; Y94-S140 WeakPolarHBondContact CD2-O 2.96Å; Y94-S140 WeakPolarHBondContact CE2-O 3.43Å; Y94-E141 HydrophobicContact CD1-CG 4.24Å; Y94-E141 HydrophobicContact CE1-CG 3.64Å; Y94-E141 HydrophobicContact CE2-CG 4.32Å
95	D	79.7	Confident	83.3	Confident	84 Å²	84	59.7 Å²	59.7	45%	0.449	34%	0.336	S	S	.	.			trans	-134	143	172.6	-163.9	-57	0	0	0	108.2	E97 L98	D95-E97 PolarHBondContact O-N 2.89Å; D95-E97 PolarHBondContact OD1-N 2.89Å; D95-L98 WeakPolarHBondContact O-CB 3.48Å; D95-L98 PolarHBondContact O-N 2.72Å; D95-L98 VanDerWaalsContact O-N 3.07Å
96	Q	79.1	Confident	83.3	Confident	139 Å²	139	60.3 Å²	60.3	65%	0.65	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-66.7	-23	179.5	-157.9	176.8	9.5	0	0	112.3	L98 E99	Q96-L98 PolarHBondContact O-N 2.97Å; Q96-L98 VanDerWaalsContact O-N 3.17Å; Q96-E99 HydrophobicContact CG-CG 4.09Å; Q96-E99 WeakPolarHBondContact CG-OE2 3.48Å; Q96-E99 PolarHBondContact NE2-OE2 3.38Å; Q96-E99 WeakPolarHBondContact O-CB 3.47Å; Q96-E99 PolarHBondContact O-N 3.46Å
97	E	81.5	Confident	83.3	Confident	120 Å²	120	64.1 Å²	64.1	56%	0.561	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-64	-17.3	172.5	-66.4	-154.2	-159.2	0	0	113.1	D95 E99 N100 S103	D95-E97 PolarHBondContact O-N 2.89Å; D95-E97 PolarHBondContact OD1-N 2.89Å; E97-E99 VanDerWaalsContact C-N 3.35Å; E97-N100 PolarHBondContact O-N 3.01Å; E97-S103 VanDerWaalsContact O-CB 3.26Å; E97-S103 WeakPolarHBondContact O-CB 3.39Å; E97-S103 PolarHBondContact O-OG 2.82Å
98	L	84	Confident	83.2	Confident	10 Å²	10	67.9 Å²	67.9	5%	0.052	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-77.1	-13.7	171.2	-59.9	176.9	0	0	0	113.8	D95 Q96 D105 F106 L109 F139	D95-L98 WeakPolarHBondContact O-CB 3.48Å; D95-L98 PolarHBondContact O-N 2.72Å; D95-L98 VanDerWaalsContact O-N 3.07Å; Q96-L98 PolarHBondContact O-N 2.97Å; Q96-L98 VanDerWaalsContact O-N 3.17Å; L98-D105 HydrophobicContact CD2-CB 4.11Å; L98-F106 WeakPolarHBondContact O-CD2 3.41Å; L98-L109 HydrophobicContact CD1-CD2 4.15Å; L98-L109 HydrophobicContact CD2-CD2 4.21Å; L98-F139 HydrophobicContact CB-CB 4.14Å; L98-F139 HydrophobicContact CB-CD2 4.36Å; L98-F139 HydrophobicContact CB-CG 4.35Å
99	E	82.2	Confident	83.2	Confident	44 Å²	44	66.3 Å²	66.3	21%	0.206	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-70.9	-25.7	170	-56.5	-162.8	108.2	0	0	111.8	Y94 Q96 E97 R244	Y94-E99 VanDerWaalsContact OH-CG 3.26Å; Y94-E99 WeakPolarHBondContact OH-CG 3.31Å; Y94-E99 PolarHBondContact OH-OE1 2.02Å; Q96-E99 HydrophobicContact CG-CG 4.09Å; Q96-E99 WeakPolarHBondContact CG-OE2 3.48Å; Q96-E99 PolarHBondContact NE2-OE2 3.38Å; Q96-E99 WeakPolarHBondContact O-CB 3.47Å; Q96-E99 PolarHBondContact O-N 3.46Å; E97-E99 VanDerWaalsContact C-N 3.35Å; E99-R244 WeakPolarHBondContact OE1-CD 3.24Å; E99-R244 IonicContact OE1-CZ 2.76Å; E99-R244 VanDerWaalsContact OE1-CZ 3.31Å; E99-R244 IonicContact OE1-NE 2.68Å; E99-R244 PolarHBondContact OE1-NE 3.02Å; E99-R244 IonicContact OE1-NH1 3.46Å; E99-R244 PolarHBondContact OE1-NH1 2.86Å
100	N	82.4	Confident	83.3	Confident	77 Å²	77	66 Å²	66	41%	0.412	38%	0.375	S	S	.	.			trans	-93.2	103.4	-174.6	-178.9	6.7	0	0	0	111.2	E97 S102 S103 F106	E97-N100 PolarHBondContact O-N 3.01Å; N100-S102 PolarHBondContact O-N 2.85Å; N100-S102 WeakPolarHBondContact OD1-CB 3.46Å; N100-S102 PolarHBondContact OD1-N 2.87Å; N100-S103 WeakPolarHBondContact O-CB 3.43Å; N100-S103 PolarHBondContact O-N 3.3Å; N100-S103 PolarHBondContact O-OG 2.63Å; N100-S103 VanDerWaalsContact O-OG 3.1Å; N100-F106 WeakPolarHBondContact O-CB 3.35Å
101	T	81.1	Confident	83.8	Confident	36 Å²	36	67.8 Å²	67.8	22%	0.221	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-12	176.9	62.1	0	0	0	0	115.5	F106 N107 R214	T101-F106 HydrophobicContact CG2-CD2 4.26Å; T101-F106 HydrophobicContact CG2-CE1 4.18Å; T101-F106 HydrophobicContact CG2-CE2 3.73Å; T101-F106 HydrophobicContact CG2-CZ 3.7Å; T101-F106 WeakPolarHBondContact O-CD1 3.22Å; T101-N107 PolarHBondContact O-ND2 3.48Å; T101-R214 PolarHBondContact OG1-NH1 3.38Å; T101-R214 VanDerWaalsContact OG1-NH1 3.14Å; T101-R214 PolarHBondContact OG1-NH2 2.99Å
102	S	84.2	Confident	84.6	Confident	99 Å²	99	67.9 Å²	67.9	69%	0.692	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	2.6	176.7	-57	0	0	0	0	113.6	N100	N100-S102 PolarHBondContact O-N 2.85Å; N100-S102 WeakPolarHBondContact OD1-CB 3.46Å; N100-S102 PolarHBondContact OD1-N 2.87Å
103	S	90.1	Very high	85.2	Confident	9 Å²	9	65.6 Å²	65.6	6%	0.063	36%	0.359	C	S	.	.	S	Bend	trans	-75.7	156.2	173.6	76.1	0	0	0	0	111.2	E97 N100 D105 F106 N107	E97-S103 VanDerWaalsContact O-CB 3.26Å; E97-S103 WeakPolarHBondContact O-CB 3.39Å; E97-S103 PolarHBondContact O-OG 2.82Å; N100-S103 WeakPolarHBondContact O-CB 3.43Å; N100-S103 PolarHBondContact O-N 3.3Å; N100-S103 PolarHBondContact O-OG 2.63Å; N100-S103 VanDerWaalsContact O-OG 3.1Å; S103-D105 VanDerWaalsContact C-N 3.29Å; S103-D105 PolarHBondContact O-N 2.92Å; S103-F106 VanDerWaalsContact OG-CB 3.22Å; S103-F106 WeakPolarHBondContact OG-CB 3.32Å; S103-F106 PolarHBondContact OG-N 3.38Å; S103-N107 PolarHBondContact O-N 2.88Å; S103-N107 PolarHBondContact O-ND2 2.69Å
104	Q	88.2	Confident	86	Confident	159 Å²	159	63.5 Å²	63.5	74%	0.743	34%	0.338	S	S	*	.	H	α-helix	trans	-67.9	-34.2	177.2	-175.5	171.2	-32.5	0	0	111.5	N107 T108	Q104-N107 PolarHBondContact O-N 3.02Å; Q104-T108 WeakPolarHBondContact O-CB 3.43Å; Q104-T108 PolarHBondContact O-N 2.02Å; Q104-T108 PolarHBondContact O-OG1 2.75Å
105	D	85.6	Confident	86.5	Confident	88 Å²	88	64.2 Å²	64.2	47%	0.471	35%	0.347	S	S	.	.	H	α-helix	trans	-75.7	-38	-175.7	-69.5	4.1	0	0	0	111.6	L98 S103 N107 T108 L109	L98-D105 HydrophobicContact CD2-CB 4.11Å; S103-D105 VanDerWaalsContact C-N 3.29Å; S103-D105 PolarHBondContact O-N 2.92Å; D105-N107 PolarHBondContact O-N 2.95Å; D105-T108 PolarHBondContact O-N 3.1Å; D105-L109 WeakPolarHBondContact O-CB 3.25Å; D105-L109 PolarHBondContact O-N 2.69Å
106	F	89.8	Confident	86.9	Confident	12 Å²	12	61.3 Å²	61.3	5%	0.053	33%	0.332	C	S	.	.	H	α-helix	trans	-53.1	-54.8	167	177.2	-82.6	0	0	0	110.5	L98 N100 T101 S103 T108 L109 A110 V136 F139	L98-F106 WeakPolarHBondContact O-CD2 3.41Å; N100-F106 WeakPolarHBondContact O-CB 3.35Å; T101-F106 HydrophobicContact CG2-CD2 4.26Å; T101-F106 HydrophobicContact CG2-CE1 4.18Å; T101-F106 HydrophobicContact CG2-CE2 3.73Å; T101-F106 HydrophobicContact CG2-CZ 3.7Å; T101-F106 WeakPolarHBondContact O-CD1 3.22Å; S103-F106 VanDerWaalsContact OG-CB 3.22Å; S103-F106 WeakPolarHBondContact OG-CB 3.32Å; S103-F106 PolarHBondContact OG-N 3.38Å; F106-T108 VanDerWaalsContact C-N 3.3Å; F106-T108 PolarHBondContact O-N 3.09Å; F106-L109 PolarHBondContact O-N 2.92Å; F106-A110 HydrophobicContact CD1-CB 4.25Å; F106-A110 HydrophobicContact CE1-CB 3.94Å; F106-A110 HydrophobicContact CZ-CB 4.37Å; F106-A110 WeakPolarHBondContact O-CB 3.43Å; F106-A110 PolarHBondContact O-N 3.02Å; F106-V136 HydrophobicContact CZ-CG1 4.43Å; F106-F139 AromaticContact CD2-CD2 3.42Å; F106-F139 HydrophobicContact CD2-CD2 3.42Å; F106-F139 VanDerWaalsContact CD2-CD2 3.42Å; F106-F139 AromaticContact CD2-CE2 3.51Å; F106-F139 HydrophobicContact CD2-CE2 3.51Å; F106-F139 AromaticContact CE2-CD2 3.48Å; F106-F139 HydrophobicContact CE2-CD2 3.48Å; F106-F139 VanDerWaalsContact CE2-CD2 3.48Å; F106-F139 AromaticContact CE2-CE2 3.55Å; F106-F139 HydrophobicContact CE2-CE2 3.55Å; F106-F139 HydrophobicContact CG-CD2 4.41Å; F106-F139 HydrophobicContact CG-CE2 4.14Å; F106-F139 HydrophobicContact CZ-CE2 4.24Å
107	N	89.7	Confident	87.4	Confident	85 Å²	85	54.8 Å²	54.8	46%	0.455	30%	0.301	S	S	.	.	H	α-helix	trans	-66.5	-33	-173.7	-77.8	-88.1	0	0	0	112.1	T101 S103 Q104 D105 S111	T101-N107 PolarHBondContact O-ND2 3.48Å; S103-N107 PolarHBondContact O-N 2.88Å; S103-N107 PolarHBondContact O-ND2 2.69Å; Q104-N107 PolarHBondContact O-N 3.02Å; D105-N107 PolarHBondContact O-N 2.95Å; N107-S111 WeakPolarHBondContact O-CB 3.4Å; N107-S111 PolarHBondContact O-N 3.38Å; N107-S111 VanDerWaalsContact O-N 3.09Å
108	T	89.1	Confident	87.8	Confident	79 Å²	79	50.9 Å²	50.9	49%	0.485	29%	0.285	S	S	.	.	H	α-helix	trans	-70.7	-44.2	176.9	-55.1	0	0	0	0	111.7	Q104 D105 F106 T112	Q104-T108 WeakPolarHBondContact O-CB 3.43Å; Q104-T108 PolarHBondContact O-N 2.02Å; Q104-T108 PolarHBondContact O-OG1 2.75Å; D105-T108 PolarHBondContact O-N 3.1Å; F106-T108 VanDerWaalsContact C-N 3.3Å; F106-T108 PolarHBondContact O-N 3.09Å; T108-T112 PolarHBondContact O-N 2.96Å; T108-T112 PolarHBondContact O-OG1 3.39Å
109	L	88.3	Confident	88	Confident	23 Å²	23	54.6 Å²	54.6	12%	0.12	30%	0.301	C	S	.	.	H	α-helix	trans	-72.3	-45	178.2	-174.1	57.9	0	0	0	111.7	V92 L98 D105 F106 S111 T112 L113 F139 V143 L189	V92-L109 HydrophobicContact CG1-CD2 4.42Å; L98-L109 HydrophobicContact CD1-CD2 4.15Å; L98-L109 HydrophobicContact CD2-CD2 4.21Å; D105-L109 WeakPolarHBondContact O-CB 3.25Å; D105-L109 PolarHBondContact O-N 2.69Å; F106-L109 PolarHBondContact O-N 2.92Å; L109-S111 PolarHBondContact O-N 3.39Å; L109-T112 WeakPolarHBondContact O-CB 3.38Å; L109-T112 PolarHBondContact O-N 2.66Å; L109-T112 VanDerWaalsContact O-N 3.13Å; L109-L113 HydrophobicContact CD1-CD1 4.41Å; L109-L113 HydrophobicContact CG-CD1 4.2Å; L109-L113 WeakPolarHBondContact O-CG 3.39Å; L109-L113 PolarHBondContact O-N 2.94Å; L109-L113 VanDerWaalsContact O-N 3.09Å; L109-F139 HydrophobicContact CB-CE1 4.46Å; L109-F139 HydrophobicContact CB-CZ 3.92Å; L109-F139 HydrophobicContact CD2-CD1 4.08Å; L109-F139 HydrophobicContact CD2-CE1 3.42Å; L109-F139 VanDerWaalsContact CD2-CE1 3.42Å; L109-F139 HydrophobicContact CD2-CZ 3.72Å; L109-F139 HydrophobicContact CG-CE1 3.69Å; L109-F139 HydrophobicContact CG-CZ 3.62Å; L109-V143 HydrophobicContact CD2-CG1 4.43Å; L109-L189 HydrophobicContact CD1-CD1 4.47Å
110	A	89.8	Confident	88.3	Confident	3 Å²	3	52.5 Å²	52.5	3%	0.025	29%	0.291	C	S	.	.	H	α-helix	trans	-54.2	-53.6	175.3	0	0	0	0	0	111.6	F106 T112 L113 E114 V136 F139	F106-A110 HydrophobicContact CD1-CB 4.25Å; F106-A110 HydrophobicContact CE1-CB 3.94Å; F106-A110 HydrophobicContact CZ-CB 4.37Å; F106-A110 WeakPolarHBondContact O-CB 3.43Å; F106-A110 PolarHBondContact O-N 3.02Å; A110-T112 PolarHBondContact O-N 2.84Å; A110-L113 PolarHBondContact O-N 2.75Å; A110-E114 WeakPolarHBondContact O-CG 3.48Å; A110-E114 PolarHBondContact O-N 3.28Å; A110-V136 HydrophobicContact CB-CB 3.86Å; A110-V136 HydrophobicContact CB-CG1 4.16Å; A110-V136 HydrophobicContact CB-CG2 4.44Å; A110-F139 HydrophobicContact CB-CE2 4.42Å; A110-F139 HydrophobicContact CB-CZ 4.46Å
111	S	90.7	Very high	88.7	Confident	67 Å²	67	48.8 Å²	48.8	47%	0.469	27%	0.272	S	S	.	.	H	α-helix	trans	-58.2	-37.1	177.8	178.8	0	0	0	0	112.1	N107 L109 L113 D115	N107-S111 WeakPolarHBondContact O-CB 3.4Å; N107-S111 PolarHBondContact O-N 3.38Å; N107-S111 VanDerWaalsContact O-N 3.09Å; L109-S111 PolarHBondContact O-N 3.39Å; S111-L113 VanDerWaalsContact C-N 3.33Å; S111-L113 PolarHBondContact O-N 3.42Å; S111-D115 VanDerWaalsContact O-CB 3.28Å; S111-D115 WeakPolarHBondContact O-CB 3.02Å; S111-D115 PolarHBondContact O-N 3.13Å
112	T	89.7	Confident	89.1	Confident	70 Å²	70	53 Å²	53	43%	0.429	29%	0.289	S	S	.	.	H	α-helix	trans	-65.4	-34.9	177.2	-58	0	0	0	0	112.7	T108 L109 A110 L116 L189	T108-T112 PolarHBondContact O-N 2.96Å; T108-T112 PolarHBondContact O-OG1 3.39Å; L109-T112 WeakPolarHBondContact O-CB 3.38Å; L109-T112 PolarHBondContact O-N 2.66Å; L109-T112 VanDerWaalsContact O-N 3.13Å; A110-T112 PolarHBondContact O-N 2.84Å; T112-L116 PolarHBondContact O-N 3.37Å; T112-L189 HydrophobicContact CG2-CD2 3.84Å
113	L	90	Very high	89.1	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-82.5	-35.1	179.6	-61.4	171.3	0	0	0	112.2	M87 L89 L109 A110 S111 D115 L116 L117 V136 F139 A145 L189	M87-L113 HydrophobicContact SD-CB 4.24Å; M87-L113 HydrophobicContact SD-CD1 4.13Å; M87-L113 HydrophobicContact SD-CD2 3.8Å; M87-L113 HydrophobicContact SD-CG 4.26Å; L89-L113 HydrophobicContact CD1-CD1 3.8Å; L89-L113 HydrophobicContact CD1-CD2 4.21Å; L89-L113 HydrophobicContact CD2-CD2 4.06Å; L109-L113 HydrophobicContact CD1-CD1 4.41Å; L109-L113 HydrophobicContact CG-CD1 4.2Å; L109-L113 WeakPolarHBondContact O-CG 3.39Å; L109-L113 PolarHBondContact O-N 2.94Å; L109-L113 VanDerWaalsContact O-N 3.09Å; A110-L113 PolarHBondContact O-N 2.75Å; S111-L113 VanDerWaalsContact C-N 3.33Å; S111-L113 PolarHBondContact O-N 3.42Å; L113-D115 VanDerWaalsContact C-N 3.32Å; L113-L116 WeakPolarHBondContact O-CA 3.22Å; L113-L116 WeakPolarHBondContact O-CB 3.33Å; L113-L116 PolarHBondContact O-N 2.87Å; L113-L117 WeakPolarHBondContact O-CG 3.43Å; L113-L117 PolarHBondContact O-N 3.14Å; L113-V136 HydrophobicContact CB-CG2 4.05Å; L113-V136 HydrophobicContact CD1-CG2 4.46Å; L113-F139 HydrophobicContact CD1-CE1 3.77Å; L113-F139 HydrophobicContact CD1-CZ 4.07Å; L113-A145 HydrophobicContact CD1-CB 3.68Å; L113-L189 HydrophobicContact CD2-CD2 4Å
114	E	91.6	Very high	89	Confident	55 Å²	55	54.1 Å²	54.1	26%	0.257	29%	0.286	S	S	.	.	H	α-helix	trans	-60.6	-44.6	169.7	-70.8	163.3	-175	0	0	110.3	A110 L116 L117 V118 A135 V136	A110-E114 WeakPolarHBondContact O-CG 3.48Å; A110-E114 PolarHBondContact O-N 3.28Å; E114-L116 PolarHBondContact O-N 2.82Å; E114-L117 PolarHBondContact O-N 2.76Å; E114-V118 VanDerWaalsContact O-CG2 3.26Å; E114-V118 WeakPolarHBondContact O-CG2 3.29Å; E114-V118 PolarHBondContact O-N 2.81Å; E114-A135 WeakPolarHBondContact OE1-CA 3.24Å; E114-V136 HydrophobicContact CG-CG2 4.2Å; E114-V136 PolarHBondContact OE1-N 3.41Å
115	D	88.9	Confident	89	Confident	89 Å²	89	52.1 Å²	52.1	48%	0.476	29%	0.287	S	S	.	.	H	α-helix	trans	-64	-23.2	174	-136	49.3	0	0	0	112.3	S111 L113 K119	S111-D115 VanDerWaalsContact O-CB 3.28Å; S111-D115 WeakPolarHBondContact O-CB 3.02Å; S111-D115 PolarHBondContact O-N 3.13Å; L113-D115 VanDerWaalsContact C-N 3.32Å; D115-K119 VanDerWaalsContact CG-NZ 3.27Å; D115-K119 WeakPolarHBondContact O-CD 3.43Å; D115-K119 VanDerWaalsContact O-CG 3.24Å; D115-K119 WeakPolarHBondContact O-CG 3.42Å; D115-K119 PolarHBondContact O-NZ 3.2Å; D115-K119 IonicContact OD2-NZ 3.63Å; D115-K119 PolarHBondContact OD2-NZ 3.4Å
116	L	88.3	Confident	89.1	Confident	24 Å²	24	49.1 Å²	49.1	13%	0.126	27%	0.271	C	S	.	.	H	α-helix	trans	-78.1	-47.9	172.3	174.5	60.4	0	0	0	111.4	T112 L113 E114 V118 K119 C120 Q180 V191	T112-L116 PolarHBondContact O-N 3.37Å; L113-L116 WeakPolarHBondContact O-CA 3.22Å; L113-L116 WeakPolarHBondContact O-CB 3.33Å; L113-L116 PolarHBondContact O-N 2.87Å; E114-L116 PolarHBondContact O-N 2.82Å; L116-V118 VanDerWaalsContact C-N 3.34Å; L116-V118 PolarHBondContact O-N 2.96Å; L116-K119 PolarHBondContact O-N 2.98Å; L116-K119 VanDerWaalsContact O-N 3.09Å; L116-C120 PolarHBondContact O-N 3.23Å; L116-C120 PolarHBondContact O-SG 3.49Å; L116-Q180 VanDerWaalsContact CD1-NE2 3.35Å; L116-Q180 VanDerWaalsContact CD1-OE1 3.31Å; L116-V191 HydrophobicContact CD2-CG2 3.91Å
117	L	90.1	Very high	89.1	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-57.2	-45.8	177.3	-69.8	170.7	0	0	0	111.5	M87 L113 E114 K119 C120 Y121 Y147 L173 I194	M87-L117 HydrophobicContact CE-CD1 4.1Å; M87-L117 HydrophobicContact CE-CD2 3.96Å; M87-L117 HydrophobicContact CE-CG 4.11Å; L113-L117 WeakPolarHBondContact O-CG 3.43Å; L113-L117 PolarHBondContact O-N 3.14Å; E114-L117 PolarHBondContact O-N 2.76Å; L117-K119 VanDerWaalsContact C-N 3.28Å; L117-K119 PolarHBondContact O-N 2.85Å; L117-C120 WeakPolarHBondContact O-CB 3.29Å; L117-C120 PolarHBondContact O-N 3.05Å; L117-Y121 HydrophobicContact CB-CE2 4.11Å; L117-Y121 HydrophobicContact CD2-CE2 4.43Å; L117-Y121 WeakPolarHBondContact O-CD2 3.5Å; L117-Y121 PolarHBondContact O-N 3.23Å; L117-Y121 VanDerWaalsContact O-N 3.07Å; L117-Y147 HydrophobicContact CD1-CD2 3.49Å; L117-Y147 VanDerWaalsContact CD1-CD2 3.49Å; L117-Y147 HydrophobicContact CD1-CE2 3.95Å; L117-Y147 HydrophobicContact CD1-CG 3.86Å; L117-Y147 HydrophobicContact CD2-CD2 4.14Å; L117-Y147 HydrophobicContact CD2-CE2 3.7Å; L117-Y147 HydrophobicContact CG-CD2 4.49Å; L117-L173 HydrophobicContact CD2-CD2 3.6Å; L117-I194 HydrophobicContact CD2-CD1 4.4Å
118	V	91.1	Very high	89.1	Confident	38 Å²	38	46.8 Å²	46.8	23%	0.23	27%	0.265	C	S	.	.	H	α-helix	trans	-52.5	-45.2	173.8	170.3	0	0	0	0	111.7	E114 L116 C120 Q122 Y131	E114-V118 VanDerWaalsContact O-CG2 3.26Å; E114-V118 WeakPolarHBondContact O-CG2 3.29Å; E114-V118 PolarHBondContact O-N 2.81Å; L116-V118 VanDerWaalsContact C-N 3.34Å; L116-V118 PolarHBondContact O-N 2.96Å; V118-C120 VanDerWaalsContact C-N 3.32Å; V118-C120 PolarHBondContact O-N 3Å; V118-Q122 WeakPolarHBondContact O-CB 3.5Å; V118-Q122 WeakPolarHBondContact O-CG 3.2Å; V118-Q122 PolarHBondContact O-N 3.07Å; V118-Y131 HydrophobicContact CG2-CE1 3.93Å; V118-Y131 VanDerWaalsContact CG2-OH 3.29Å; V118-Y131 WeakPolarHBondContact CG2-OH 3.42Å
119	K	87.9	Confident	89.2	Confident	87 Å²	87	48.6 Å²	48.6	38%	0.378	27%	0.267	S	S	.	.	H	α-helix	trans	-72.2	-23.5	180	-67.6	174	-167.2	91.6	0	113	D115 L116 L117 N123	D115-K119 VanDerWaalsContact CG-NZ 3.27Å; D115-K119 WeakPolarHBondContact O-CD 3.43Å; D115-K119 VanDerWaalsContact O-CG 3.24Å; D115-K119 WeakPolarHBondContact O-CG 3.42Å; D115-K119 PolarHBondContact O-NZ 3.2Å; D115-K119 IonicContact OD2-NZ 3.63Å; D115-K119 PolarHBondContact OD2-NZ 3.4Å; L116-K119 PolarHBondContact O-N 2.98Å; L116-K119 VanDerWaalsContact O-N 3.09Å; L117-K119 VanDerWaalsContact C-N 3.28Å; L117-K119 PolarHBondContact O-N 2.85Å; K119-N123 PolarHBondContact O-ND2 3.5Å
120	C	88.2	Confident	89.4	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-75.4	-52	175.9	-60.7	0	0	0	0	110.9	L116 L117 V118 Q122 N123 L173 S176	L116-C120 PolarHBondContact O-N 3.23Å; L116-C120 PolarHBondContact O-SG 3.49Å; L117-C120 WeakPolarHBondContact O-CB 3.29Å; L117-C120 PolarHBondContact O-N 3.05Å; V118-C120 VanDerWaalsContact C-N 3.32Å; V118-C120 PolarHBondContact O-N 3Å; C120-Q122 VanDerWaalsContact C-N 3.25Å; C120-Q122 PolarHBondContact O-N 3.44Å; C120-N123 WeakPolarHBondContact O-CB 2.97Å; C120-N123 PolarHBondContact O-N 2.8Å; C120-L173 HydrophobicContact CB-CD2 3.86Å; C120-S176 WeakPolarHBondContact CA-OG 3.35Å; C120-S176 PolarHBondContact O-OG 3.07Å; C120-S176 WeakPolarHBondContact SG-CB 3.38Å
121	Y	90.6	Very high	89.4	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.5	-25.8	-179.4	-57.9	-50.4	0	0	0	113.5	L117 N123 D124 L127 A128 Y131 S149 F151 V169 L173	L117-Y121 HydrophobicContact CB-CE2 4.11Å; L117-Y121 HydrophobicContact CD2-CE2 4.43Å; L117-Y121 WeakPolarHBondContact O-CD2 3.5Å; L117-Y121 PolarHBondContact O-N 3.23Å; L117-Y121 VanDerWaalsContact O-N 3.07Å; Y121-N123 PolarHBondContact O-N 2.89Å; Y121-D124 PolarHBondContact O-N 2.94Å; Y121-L127 HydrophobicContact CD1-CD1 3.92Å; Y121-A128 PolarHBondContact O-N 3.02Å; Y121-Y131 AromaticContact CD2-CD2 3.68Å; Y121-Y131 HydrophobicContact CD2-CD2 3.68Å; Y121-Y131 AromaticContact CD2-CE2 3.43Å; Y121-Y131 HydrophobicContact CD2-CE2 3.43Å; Y121-Y131 VanDerWaalsContact CD2-CE2 3.43Å; Y121-Y131 HydrophobicContact CE2-CD2 4.37Å; Y121-Y131 AromaticContact CE2-CE2 3.9Å; Y121-Y131 HydrophobicContact CE2-CE2 3.9Å; Y121-Y131 HydrophobicContact CG-CD2 4.23Å; Y121-Y131 HydrophobicContact CG-CE2 4.39Å; Y121-S149 WeakPolarHBondContact CE2-OG 2.97Å; Y121-S149 WeakPolarHBondContact OH-CB 2.99Å; Y121-S149 PolarHBondContact OH-OG 3.47Å; Y121-S149 VanDerWaalsContact OH-OG 3.12Å; Y121-F151 HydrophobicContact CD1-CE1 4.42Å; Y121-F151 AromaticContact CD1-CZ 3.91Å; Y121-F151 HydrophobicContact CD1-CZ 3.91Å; Y121-F151 HydrophobicContact CD2-CZ 4.2Å; Y121-F151 AromaticContact CE1-CZ 3.97Å; Y121-F151 HydrophobicContact CE1-CZ 3.97Å; Y121-F151 HydrophobicContact CE2-CZ 4.23Å; Y121-F151 HydrophobicContact CG-CE1 4.3Å; Y121-F151 HydrophobicContact CG-CZ 4.03Å; Y121-V169 HydrophobicContact CE1-CG1 3.94Å; Y121-L173 HydrophobicContact CE1-CD1 4.33Å; Y121-L173 HydrophobicContact CE1-CD2 3.89Å; Y121-L173 HydrophobicContact CE1-CG 3.94Å
122	Q	88.6	Confident	89.4	Confident	125 Å²	125	50.5 Å²	50.5	58%	0.584	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-13.6	171.9	-79.3	174.4	7.2	0	0	114.7	V118 C120	V118-Q122 WeakPolarHBondContact O-CB 3.5Å; V118-Q122 WeakPolarHBondContact O-CG 3.2Å; V118-Q122 PolarHBondContact O-N 3.07Å; C120-Q122 VanDerWaalsContact C-N 3.25Å; C120-Q122 PolarHBondContact O-N 3.44Å
123	N	85.4	Confident	89.3	Confident	103 Å²	103	48.2 Å²	48.2	55%	0.551	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-23.4	178.4	-63.4	-44	0	0	0	113.8	K119 C120 Y121 S176	K119-N123 PolarHBondContact O-ND2 3.5Å; C120-N123 WeakPolarHBondContact O-CB 2.97Å; C120-N123 PolarHBondContact O-N 2.8Å; Y121-N123 PolarHBondContact O-N 2.89Å; N123-S176 PolarHBondContact ND2-OG 2.71Å
124	D	88.2	Confident	89.4	Confident	28 Å²	28	49 Å²	49	15%	0.15	27%	0.265	C	S	.	.	S	Bend	trans	-93.8	122.5	172.3	177.9	-69.7	0	0	0	110	Y121 L126 L127 A128 R168 A172	Y121-D124 PolarHBondContact O-N 2.94Å; D124-L126 VanDerWaalsContact C-N 3.27Å; D124-L126 PolarHBondContact O-N 2.82Å; D124-L126 VanDerWaalsContact OD1-CA 3.31Å; D124-L126 WeakPolarHBondContact OD1-CA 3.28Å; D124-L126 VanDerWaalsContact OD1-CB 3.26Å; D124-L126 WeakPolarHBondContact OD1-CB 3.49Å; D124-L126 PolarHBondContact OD1-N 2.99Å; D124-L127 HydrophobicContact CB-CB 4.08Å; D124-L127 HydrophobicContact CB-CD1 4.04Å; D124-L127 HydrophobicContact CB-CG 3.99Å; D124-L127 PolarHBondContact O-N 3.42Å; D124-L127 PolarHBondContact OD1-N 3.37Å; D124-A128 WeakPolarHBondContact O-CB 3.24Å; D124-A128 PolarHBondContact O-N 3.21Å; D124-R168 IonicContact OD1-CZ 2.78Å; D124-R168 IonicContact OD1-NE 2.86Å; D124-R168 IonicContact OD1-NH2 2.95Å; D124-R168 PolarHBondContact OD1-NH2 2.89Å; D124-R168 VanDerWaalsContact OD1-NH2 3.15Å; D124-R168 IonicContact OD2-CZ 3.93Å; D124-R168 IonicContact OD2-NE 3.13Å; D124-R168 PolarHBondContact OD2-NE 2.04Å; D124-R168 IonicContact OD2-NH2 2.65Å; D124-R168 PolarHBondContact OD2-NH2 3.25Å; D124-A172 HydrophobicContact CB-CB 4.3Å
125	P	88.1	Confident	89.3	Confident	117 Å²	117	47.6 Å²	47.6	76%	0.76	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-21.1	-176.5	-25.3	35.3	0	0	0	116.2
126	L	88.2	Confident	89.4	Confident	24 Å²	24	43.8 Å²	43.8	13%	0.126	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-54	174.7	-169.9	79.2	0	0	0	110	D124 A128 K129 Y130 I160 E163 F164 R168	D124-L126 VanDerWaalsContact C-N 3.27Å; D124-L126 PolarHBondContact O-N 2.82Å; D124-L126 VanDerWaalsContact OD1-CA 3.31Å; D124-L126 WeakPolarHBondContact OD1-CA 3.28Å; D124-L126 VanDerWaalsContact OD1-CB 3.26Å; D124-L126 WeakPolarHBondContact OD1-CB 3.49Å; D124-L126 PolarHBondContact OD1-N 2.99Å; L126-A128 PolarHBondContact O-N 2.86Å; L126-K129 WeakPolarHBondContact O-CB 3.49Å; L126-K129 PolarHBondContact O-N 2.82Å; L126-Y130 HydrophobicContact CD1-CD2 4.46Å; L126-Y130 HydrophobicContact CD1-CE2 3.68Å; L126-Y130 HydrophobicContact CG-CD2 4.39Å; L126-Y130 HydrophobicContact CG-CE2 4.07Å; L126-Y130 VanDerWaalsContact O-CD2 3.26Å; L126-Y130 WeakPolarHBondContact O-CD2 3.38Å; L126-I160 HydrophobicContact CD1-CG2 3.76Å; L126-I160 HydrophobicContact CD2-CG2 4.07Å; L126-E163 HydrophobicContact CD2-CB 3.86Å; L126-F164 HydrophobicContact CD2-CD2 4.09Å; L126-F164 HydrophobicContact CD2-CE2 3.76Å; L126-F164 HydrophobicContact CD2-CZ 4.23Å; L126-F164 HydrophobicContact CG-CE2 4.15Å; L126-F164 HydrophobicContact CG-CZ 4.28Å; L126-R168 VanDerWaalsContact CB-NH2 3.3Å; L126-R168 VanDerWaalsContact CD2-NH1 3.29Å
127	L	89.3	Confident	89.3	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-57.4	-42.5	-179.3	-59.7	-176.4	0	0	0	110.4	Y121 D124 K129 Y130 Y131 F151 F164 V169 A172	Y121-L127 HydrophobicContact CD1-CD1 3.92Å; D124-L127 HydrophobicContact CB-CB 4.08Å; D124-L127 HydrophobicContact CB-CD1 4.04Å; D124-L127 HydrophobicContact CB-CG 3.99Å; D124-L127 PolarHBondContact O-N 3.42Å; D124-L127 PolarHBondContact OD1-N 3.37Å; L127-K129 VanDerWaalsContact C-N 3.26Å; L127-K129 PolarHBondContact O-N 3.43Å; L127-Y130 PolarHBondContact O-N 2.89Å; L127-Y131 VanDerWaalsContact O-CB 3.27Å; L127-Y131 WeakPolarHBondContact O-CB 3.33Å; L127-Y131 PolarHBondContact O-N 3.48Å; L127-F151 HydrophobicContact CB-CE1 3.91Å; L127-F151 HydrophobicContact CD2-CE1 4.1Å; L127-F151 HydrophobicContact CD2-CZ 4.42Å; L127-F164 HydrophobicContact CD2-CD1 3.81Å; L127-F164 HydrophobicContact CD2-CE1 3.66Å; L127-V169 HydrophobicContact CD1-CG2 4.45Å; L127-V169 HydrophobicContact CD2-CG2 4.27Å; L127-A172 HydrophobicContact CD1-CB 3.65Å
128	A	90.1	Very high	89.2	Confident	48 Å²	48	44.3 Å²	44.3	40%	0.397	25%	0.248	S	C	.	.	H	α-helix	trans	-61.6	-23.4	175.1	0	0	0	0	0	115.1	Y121 D124 L126	Y121-A128 PolarHBondContact O-N 3.02Å; D124-A128 WeakPolarHBondContact O-CB 3.24Å; D124-A128 PolarHBondContact O-N 3.21Å; L126-A128 PolarHBondContact O-N 2.86Å
129	K	90.8	Very high	89.1	Confident	118 Å²	118	42.5 Å²	42.5	51%	0.513	24%	0.237	S	C	.	.	H	α-helix	trans	-74.7	-35.4	178.6	177.8	-177.3	165	-161.5	0	112.2	L126 L127 D157	L126-K129 WeakPolarHBondContact O-CB 3.49Å; L126-K129 PolarHBondContact O-N 2.82Å; L127-K129 VanDerWaalsContact C-N 3.26Å; L127-K129 PolarHBondContact O-N 3.43Å; K129-D157 IonicContact NZ-OD1 2.92Å; K129-D157 PolarHBondContact NZ-OD1 3.12Å; K129-D157 IonicContact NZ-OD2 2.7Å; K129-D157 PolarHBondContact NZ-OD2 2.87Å
130	Y	91	Very high	89	Confident	12 Å²	12	38.8 Å²	38.8	5%	0.047	22%	0.222	C	C	.	.	H	α-helix	trans	-116.1	-6.1	-169.2	-53	-82.3	0	0	0	114.3	L126 L127 T132 F151 E152 I153 D157 I160 F164	L126-Y130 HydrophobicContact CD1-CD2 4.46Å; L126-Y130 HydrophobicContact CD1-CE2 3.68Å; L126-Y130 HydrophobicContact CG-CD2 4.39Å; L126-Y130 HydrophobicContact CG-CE2 4.07Å; L126-Y130 VanDerWaalsContact O-CD2 3.26Å; L126-Y130 WeakPolarHBondContact O-CD2 3.38Å; L127-Y130 PolarHBondContact O-N 2.89Å; Y130-T132 PolarHBondContact O-N 2.88Å; Y130-T132 PolarHBondContact O-OG1 2.7Å; Y130-F151 CarbonylContact O-C 3.45Å; Y130-F151 VanDerWaalsContact O-CA 3.31Å; Y130-F151 WeakPolarHBondContact O-CA 3.5Å; Y130-E152 PolarHBondContact O-N 2.75Å; Y130-I153 HydrophobicContact CD1-CG1 4.27Å; Y130-I153 HydrophobicContact CE1-CG2 4.38Å; Y130-I153 HydrophobicContact CG-CG1 4.3Å; Y130-D157 HydrophobicContact CE1-CB 3.89Å; Y130-D157 WeakPolarHBondContact CE1-OD2 3.06Å; Y130-D157 WeakPolarHBondContact OH-CB 3.44Å; Y130-D157 PolarHBondContact OH-OD1 3.02Å; Y130-D157 PolarHBondContact OH-OD2 3.04Å; Y130-I160 WeakPolarHBondContact OH-CD1 3.44Å; Y130-F164 HydrophobicContact CD2-CE2 4.05Å; Y130-F164 AromaticContact CD2-CZ 3.53Å; Y130-F164 HydrophobicContact CD2-CZ 3.53Å; Y130-F164 HydrophobicContact CE2-CE2 4.23Å; Y130-F164 HydrophobicContact CE2-CZ 4.15Å; Y130-F164 HydrophobicContact CG-CZ 4.07Å
131	Y	91.5	Very high	88.4	Confident	51 Å²	51	41.3 Å²	41.3	20%	0.2	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	122.3	178.2	177	-103.2	0	0	0	112.3	V118 Y121 L127 G133 S134 F151	V118-Y131 HydrophobicContact CG2-CE1 3.93Å; V118-Y131 VanDerWaalsContact CG2-OH 3.29Å; V118-Y131 WeakPolarHBondContact CG2-OH 3.42Å; Y121-Y131 AromaticContact CD2-CD2 3.68Å; Y121-Y131 HydrophobicContact CD2-CD2 3.68Å; Y121-Y131 AromaticContact CD2-CE2 3.43Å; Y121-Y131 HydrophobicContact CD2-CE2 3.43Å; Y121-Y131 VanDerWaalsContact CD2-CE2 3.43Å; Y121-Y131 HydrophobicContact CE2-CD2 4.37Å; Y121-Y131 AromaticContact CE2-CE2 3.9Å; Y121-Y131 HydrophobicContact CE2-CE2 3.9Å; Y121-Y131 HydrophobicContact CG-CD2 4.23Å; Y121-Y131 HydrophobicContact CG-CE2 4.39Å; L127-Y131 VanDerWaalsContact O-CB 3.27Å; L127-Y131 WeakPolarHBondContact O-CB 3.33Å; L127-Y131 PolarHBondContact O-N 3.48Å; Y131-G133 WeakPolarHBondContact CE2-O 3.45Å; Y131-G133 VanDerWaalsContact CZ-C 3.48Å; Y131-G133 VanDerWaalsContact OH-C 3.29Å; Y131-S134 VanDerWaalsContact CE2-OG 3.31Å; Y131-S134 WeakPolarHBondContact CE2-OG 3.26Å; Y131-S134 WeakPolarHBondContact OH-CB 3.29Å; Y131-S134 PolarHBondContact OH-N 3.33Å; Y131-S134 PolarHBondContact OH-OG 2.83Å; Y131-F151 HydrophobicContact CD2-CD1 4.23Å; Y131-F151 AromaticContact CD2-CE1 3.7Å; Y131-F151 HydrophobicContact CD2-CE1 3.7Å; Y131-F151 HydrophobicContact CD2-CZ 4.01Å; Y131-F151 HydrophobicContact CG-CE1 4.29Å
132	T	89.3	Confident	87.4	Confident	70 Å²	70	44.2 Å²	44.2	43%	0.429	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-39.5	-178.2	-43.4	0	0	0	0	111.5	Y130 Q150 E152	Y130-T132 PolarHBondContact O-N 2.88Å; Y130-T132 PolarHBondContact O-OG1 2.7Å; T132-Q150 WeakPolarHBondContact CB-O 3.24Å; T132-Q150 PolarHBondContact N-O 3.49Å; T132-E152 HydrophobicContact CG2-CG 4.37Å; T132-E152 WeakPolarHBondContact OG1-CG 3.43Å; T132-E152 PolarHBondContact OG1-N 3.11Å
133	G	89.3	Confident	86.9	Confident	21 Å²	21	38.4 Å²	38.4	22%	0.216	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.2	170.8	-178.9	0	0	0	0	0	113.1	Y131 Q150	Y131-G133 WeakPolarHBondContact CE2-O 3.45Å; Y131-G133 VanDerWaalsContact CZ-C 3.48Å; Y131-G133 VanDerWaalsContact OH-C 3.29Å; G133-Q150 PolarHBondContact N-O 2.76Å; G133-Q150 PolarHBondContact O-N 3.14Å
134	S	91.2	Very high	87	Confident	17 Å²	17	34.4 Å²	34.4	12%	0.119	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	157.4	170.3	-53.4	0	0	0	0	109	Y131 W148 S149	Y131-S134 VanDerWaalsContact CE2-OG 3.31Å; Y131-S134 WeakPolarHBondContact CE2-OG 3.26Å; Y131-S134 WeakPolarHBondContact OH-CB 3.29Å; Y131-S134 PolarHBondContact OH-N 3.33Å; Y131-S134 PolarHBondContact OH-OG 2.83Å; S134-W148 CarbonylContact C-O 3.6Å; S134-W148 WeakPolarHBondContact CA-O 3.29Å; S134-W148 VanDerWaalsContact CB-O 3.26Å; S134-W148 WeakPolarHBondContact CB-O 3.28Å; S134-S149 WeakPolarHBondContact OG-CB 3.29Å; S134-S149 PolarHBondContact OG-OG 2.68Å
135	A	90.1	Very high	87.1	Confident	25 Å²	25	33 Å²	33	21%	0.207	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	143.3	169.7	0	0	0	0	0	111.6	E114 Y147 W148	E114-A135 WeakPolarHBondContact OE1-CA 3.24Å; A135-Y147 VanDerWaalsContact O-CA 3.23Å; A135-Y147 WeakPolarHBondContact O-CA 3.4Å; A135-Y147 WeakPolarHBondContact O-CB 3.18Å; A135-W148 HydrophobicContact CB-CH2 4.23Å; A135-W148 HydrophobicContact CB-CZ2 3.62Å; A135-W148 PolarHBondContact N-O 3.22Å; A135-W148 PolarHBondContact O-N 3.06Å
136	V	90.1	Very high	87.2	Confident	9 Å²	9	27.9 Å²	27.9	6%	0.055	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	122.8	168.6	172.4	0	0	0	0	109	F106 A110 L113 E114 F139 A145 Y146	F106-V136 HydrophobicContact CZ-CG1 4.43Å; A110-V136 HydrophobicContact CB-CB 3.86Å; A110-V136 HydrophobicContact CB-CG1 4.16Å; A110-V136 HydrophobicContact CB-CG2 4.44Å; L113-V136 HydrophobicContact CB-CG2 4.05Å; L113-V136 HydrophobicContact CD1-CG2 4.46Å; E114-V136 HydrophobicContact CG-CG2 4.2Å; E114-V136 PolarHBondContact OE1-N 3.41Å; V136-F139 HydrophobicContact CG1-CE1 4.4Å; V136-F139 HydrophobicContact CG1-CE2 3.86Å; V136-F139 HydrophobicContact CG1-CZ 3.8Å; V136-A145 HydrophobicContact CG1-CB 4.49Å; V136-Y146 CarbonylContact C-O 3.58Å; V136-Y146 WeakPolarHBondContact CA-O 3.27Å; V136-Y146 WeakPolarHBondContact CG1-O 3.39Å
137	T	86.6	Confident	87.4	Confident	35 Å²	35	26.8 Å²	26.8	22%	0.215	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-32.4	-173.1	50.7	0	0	0	0	113.2	Y146 W148 S276	T137-Y146 PolarHBondContact N-O 2.03Å; T137-Y146 PolarHBondContact OG1-O 3.26Å; T137-W148 VanDerWaalsContact CG2-CD1 3.43Å; T137-S276 VanDerWaalsContact OG1-CB 3.24Å; T137-S276 WeakPolarHBondContact OG1-CB 3.37Å; T137-S276 PolarHBondContact OG1-OG 2.83Å; T137-S276 VanDerWaalsContact OG1-OG 3.05Å
138	A	87.5	Confident	87.5	Confident	3 Å²	3	29.1 Å²	29.1	3%	0.025	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	160.8	-177.9	0	0	0	0	0	112.2	Y146 L275	A138-Y146 HydrophobicContact CB-CD2 4.2Å; A138-Y146 PolarHBondContact O-N 3.4Å; A138-L275 HydrophobicContact CB-CB 3.63Å; A138-L275 HydrophobicContact CB-CD1 3.95Å; A138-L275 HydrophobicContact CB-CG 4.46Å
139	F	89.2	Confident	87.5	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	152.4	158.5	-60	-93.8	0	0	0	110.5	L98 F106 L109 A110 L113 V136 T144 A145 R244	L98-F139 HydrophobicContact CB-CB 4.14Å; L98-F139 HydrophobicContact CB-CD2 4.36Å; L98-F139 HydrophobicContact CB-CG 4.35Å; F106-F139 AromaticContact CD2-CD2 3.42Å; F106-F139 HydrophobicContact CD2-CD2 3.42Å; F106-F139 VanDerWaalsContact CD2-CD2 3.42Å; F106-F139 AromaticContact CD2-CE2 3.51Å; F106-F139 HydrophobicContact CD2-CE2 3.51Å; F106-F139 AromaticContact CE2-CD2 3.48Å; F106-F139 HydrophobicContact CE2-CD2 3.48Å; F106-F139 VanDerWaalsContact CE2-CD2 3.48Å; F106-F139 AromaticContact CE2-CE2 3.55Å; F106-F139 HydrophobicContact CE2-CE2 3.55Å; F106-F139 HydrophobicContact CG-CD2 4.41Å; F106-F139 HydrophobicContact CG-CE2 4.14Å; F106-F139 HydrophobicContact CZ-CE2 4.24Å; L109-F139 HydrophobicContact CB-CE1 4.46Å; L109-F139 HydrophobicContact CB-CZ 3.92Å; L109-F139 HydrophobicContact CD2-CD1 4.08Å; L109-F139 HydrophobicContact CD2-CE1 3.42Å; L109-F139 VanDerWaalsContact CD2-CE1 3.42Å; L109-F139 HydrophobicContact CD2-CZ 3.72Å; L109-F139 HydrophobicContact CG-CE1 3.69Å; L109-F139 HydrophobicContact CG-CZ 3.62Å; A110-F139 HydrophobicContact CB-CE2 4.42Å; A110-F139 HydrophobicContact CB-CZ 4.46Å; L113-F139 HydrophobicContact CD1-CE1 3.77Å; L113-F139 HydrophobicContact CD1-CZ 4.07Å; V136-F139 HydrophobicContact CG1-CE1 4.4Å; V136-F139 HydrophobicContact CG1-CE2 3.86Å; V136-F139 HydrophobicContact CG1-CZ 3.8Å; F139-T144 CarbonylContact C-O 3.58Å; F139-T144 VanDerWaalsContact CA-O 3.27Å; F139-T144 WeakPolarHBondContact CA-O 3.46Å; F139-A145 HydrophobicContact CD1-CB 3.52Å; F139-A145 HydrophobicContact CE1-CB 3.37Å; F139-A145 HydrophobicContact CZ-CB 4.31Å; F139-R244 PolarHBondContact O-NH1 2.98Å; F139-R244 PolarHBondContact O-NH2 2.86Å
140	S	85.4	Confident	87.5	Confident	9 Å²	9	22.9 Å²	22.9	6%	0.063	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	178.5	169.4	65.3	0	0	0	0	111.8	Y94 V143 T144 Y146	Y94-S140 WeakPolarHBondContact CD2-O 2.96Å; Y94-S140 WeakPolarHBondContact CE2-O 3.43Å; S140-V143 WeakPolarHBondContact O-CA 2.97Å; S140-V143 PolarHBondContact O-N 3.34Å; S140-V143 VanDerWaalsContact O-N 3.16Å; S140-T144 PolarHBondContact N-O 3.37Å; S140-T144 PolarHBondContact O-N 3.27Å; S140-T144 WeakPolarHBondContact OG-CB 3.23Å; S140-Y146 VanDerWaalsContact OG-CE2 3.28Å; S140-Y146 WeakPolarHBondContact OG-CE2 3.11Å; S140-Y146 PolarHBondContact OG-OH 3.48Å
141	E	75.6	Confident	87.5	Confident	53 Å²	53	22.3 Å²	22.3	25%	0.248	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-52.3	151.5	176.2	-67.8	158.4	179.3	0	0	111.9	Y94 V143 N303	Y94-E141 HydrophobicContact CD1-CG 4.24Å; Y94-E141 HydrophobicContact CE1-CG 3.64Å; Y94-E141 HydrophobicContact CE2-CG 4.32Å; E141-V143 PolarHBondContact O-N 2.83Å; E141-N303 VanDerWaalsContact CD-ND2 3.29Å; E141-N303 PolarHBondContact OE1-ND2 2.86Å; E141-N303 PolarHBondContact OE2-ND2 2.82Å; E141-N303 PolarHBondContact OE2-OD1 2.96Å
142	G	69	Low	87.4	Confident	61 Å²	61	24.3 Å²	24.3	63%	0.629	15%	0.15	S	C	*	.	G	3₁₀ helix	trans	70.8	4.5	-168.7	0	0	0	0	0	114.7
143	V	78.9	Confident	87.3	Confident	3 Å²	3	21 Å²	21	2%	0.018	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	58.5	48	-174.9	-152.6	0	0	0	0	112.4	L89 V92 L109 S140 E141	L89-V143 HydrophobicContact CB-CB 4.3Å; L89-V143 HydrophobicContact CB-CG1 4.16Å; L89-V143 WeakPolarHBondContact CB-O 3.11Å; L89-V143 HydrophobicContact CD1-CG1 3.99Å; L89-V143 WeakPolarHBondContact CG-O 3.06Å; L89-V143 PolarHBondContact N-O 2.73Å; L89-V143 VanDerWaalsContact N-O 3.16Å; V92-V143 HydrophobicContact CB-CB 4.5Å; V92-V143 HydrophobicContact CB-CG1 4.02Å; V92-V143 HydrophobicContact CB-CG2 4.24Å; V92-V143 HydrophobicContact CG1-CG1 3.79Å; V92-V143 HydrophobicContact CG1-CG2 4.14Å; L109-V143 HydrophobicContact CD2-CG1 4.43Å; S140-V143 WeakPolarHBondContact O-CA 2.97Å; S140-V143 PolarHBondContact O-N 3.34Å; S140-V143 VanDerWaalsContact O-N 3.16Å; E141-V143 PolarHBondContact O-N 2.83Å
144	T	87.6	Confident	87.2	Confident	18 Å²	18	22.5 Å²	22.5	11%	0.11	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	123.8	164.8	-54.3	0	0	0	0	108.8	H86 M87 K88 F139 S140 Y146	H86-T144 HydrophobicContact CB-CG2 3.82Å; M87-T144 WeakPolarHBondContact O-CA 3.36Å; K88-T144 HydrophobicContact CG-CG2 4.29Å; F139-T144 CarbonylContact C-O 3.58Å; F139-T144 VanDerWaalsContact CA-O 3.27Å; F139-T144 WeakPolarHBondContact CA-O 3.46Å; S140-T144 PolarHBondContact N-O 3.37Å; S140-T144 PolarHBondContact O-N 3.27Å; S140-T144 WeakPolarHBondContact OG-CB 3.23Å; T144-Y146 HydrophobicContact CG2-CE1 4.22Å; T144-Y146 HydrophobicContact CG2-CE2 4.11Å
145	A	90.1	Very high	86.8	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	126.7	174.5	0	0	0	0	0	109.5	H86 M87 L89 L113 V136 F139	H86-A145 CarbonylContact C-O 3.51Å; H86-A145 VanDerWaalsContact CA-O 3.27Å; H86-A145 WeakPolarHBondContact CA-O 3.17Å; M87-A145 HydrophobicContact CG-CB 3.83Å; M87-A145 PolarHBondContact N-O 2.77Å; M87-A145 PolarHBondContact O-N 2.92Å; L89-A145 HydrophobicContact CD1-CB 4.29Å; L113-A145 HydrophobicContact CD1-CB 3.68Å; V136-A145 HydrophobicContact CG1-CB 4.49Å; F139-A145 HydrophobicContact CD1-CB 3.52Å; F139-A145 HydrophobicContact CE1-CB 3.37Å; F139-A145 HydrophobicContact CZ-CB 4.31Å
146	Y	91.1	Very high	86.4	Confident	9 Å²	9	30.4 Å²	30.4	4%	0.035	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	142.2	176.9	-51.3	-99.8	0	0	0	110.3	G85 H86 V136 T137 A138 S140 T144 L275 I304	G85-Y146 WeakPolarHBondContact O-CA 3.49Å; H86-Y146 HydrophobicContact CB-CD1 3.6Å; H86-Y146 HydrophobicContact CB-CE1 3.91Å; H86-Y146 HydrophobicContact CB-CG 4.24Å; V136-Y146 CarbonylContact C-O 3.58Å; V136-Y146 WeakPolarHBondContact CA-O 3.27Å; V136-Y146 WeakPolarHBondContact CG1-O 3.39Å; T137-Y146 PolarHBondContact N-O 2.03Å; T137-Y146 PolarHBondContact OG1-O 3.26Å; A138-Y146 HydrophobicContact CB-CD2 4.2Å; A138-Y146 PolarHBondContact O-N 3.4Å; S140-Y146 VanDerWaalsContact OG-CE2 3.28Å; S140-Y146 WeakPolarHBondContact OG-CE2 3.11Å; S140-Y146 PolarHBondContact OG-OH 3.48Å; T144-Y146 HydrophobicContact CG2-CE1 4.22Å; T144-Y146 HydrophobicContact CG2-CE2 4.11Å; Y146-L275 HydrophobicContact CD2-CB 3.9Å; Y146-L275 HydrophobicContact CE2-CB 4.03Å; Y146-L275 HydrophobicContact CE2-CD1 4.16Å; Y146-L275 HydrophobicContact CE2-CG 4.3Å; Y146-L275 HydrophobicContact CG-CB 4.27Å; Y146-I304 WeakPolarHBondContact OH-CD1 3.34Å
147	Y	91.1	Very high	86.1	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	175.2	-174.5	71	-85.2	0	0	0	112.3	G85 M87 L117 A135 L173 I194 T195 S276	G85-Y147 PolarHBondContact N-O 2.83Å; G85-Y147 VanDerWaalsContact N-O 3.08Å; G85-Y147 PolarHBondContact O-N 3.46Å; M87-Y147 HydrophobicContact CE-CD1 3.43Å; M87-Y147 VanDerWaalsContact CE-CD1 3.43Å; M87-Y147 HydrophobicContact CE-CE1 3.54Å; M87-Y147 HydrophobicContact CE-CG 4.07Å; L117-Y147 HydrophobicContact CD1-CD2 3.49Å; L117-Y147 VanDerWaalsContact CD1-CD2 3.49Å; L117-Y147 HydrophobicContact CD1-CE2 3.95Å; L117-Y147 HydrophobicContact CD1-CG 3.86Å; L117-Y147 HydrophobicContact CD2-CD2 4.14Å; L117-Y147 HydrophobicContact CD2-CE2 3.7Å; L117-Y147 HydrophobicContact CG-CD2 4.49Å; A135-Y147 VanDerWaalsContact O-CA 3.23Å; A135-Y147 WeakPolarHBondContact O-CA 3.4Å; A135-Y147 WeakPolarHBondContact O-CB 3.18Å; Y147-L173 WeakPolarHBondContact OH-CD1 3.29Å; Y147-I194 HydrophobicContact CE1-CD1 4.21Å; Y147-I194 HydrophobicContact CE1-CG1 4.09Å; Y147-I194 WeakPolarHBondContact OH-CD1 3.31Å; Y147-I194 VanDerWaalsContact OH-CG1 3.29Å; Y147-I194 WeakPolarHBondContact OH-CG1 3.21Å; Y147-T195 PolarHBondContact OH-O 3.19Å; Y147-S276 PolarHBondContact O-OG 3.08Å
148	W	91.3	Very high	85.8	Confident	50 Å²	50	32.1 Å²	32.1	19%	0.189	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	159.5	160.5	57.9	-99.8	0	0	0	110.9	L82 F83 S134 A135 T137 Q150	L82-W148 HydrophobicContact CD1-CB 3.85Å; L82-W148 HydrophobicContact CD1-CD2 4.11Å; L82-W148 HydrophobicContact CD1-CE3 3.76Å; L82-W148 HydrophobicContact CD1-CG 4.16Å; F83-W148 CarbonylContact O-C 3.38Å; F83-W148 VanDerWaalsContact O-CA 3.25Å; F83-W148 WeakPolarHBondContact O-CA 3.36Å; S134-W148 CarbonylContact C-O 3.6Å; S134-W148 WeakPolarHBondContact CA-O 3.29Å; S134-W148 VanDerWaalsContact CB-O 3.26Å; S134-W148 WeakPolarHBondContact CB-O 3.28Å; A135-W148 HydrophobicContact CB-CH2 4.23Å; A135-W148 HydrophobicContact CB-CZ2 3.62Å; A135-W148 PolarHBondContact N-O 3.22Å; A135-W148 PolarHBondContact O-N 3.06Å; T137-W148 VanDerWaalsContact CG2-CD1 3.43Å; W148-Q150 HydrophobicContact CE3-CB 4.15Å; W148-Q150 HydrophobicContact CZ3-CB 3.83Å
149	S	91.8	Very high	85.5	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	124.3	-178.9	-62.4	0	0	0	0	110	F83 Y121 S134	F83-S149 PolarHBondContact N-O 3.1Å; F83-S149 PolarHBondContact O-N 2.89Å; Y121-S149 WeakPolarHBondContact CE2-OG 2.97Å; Y121-S149 WeakPolarHBondContact OH-CB 2.99Å; Y121-S149 PolarHBondContact OH-OG 3.47Å; Y121-S149 VanDerWaalsContact OH-OG 3.12Å; S134-S149 WeakPolarHBondContact OG-CB 3.29Å; S134-S149 PolarHBondContact OG-OG 2.68Å
150	Q	90.9	Very high	85.1	Confident	34 Å²	34	42.4 Å²	42.4	16%	0.159	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	136.8	-174.1	-176.4	-174.8	-17.6	0	0	111.3	V80 L82 T132 G133 W148 E152	V80-Q150 HydrophobicContact CG1-CG 3.69Å; L82-Q150 HydrophobicContact CD1-CB 4.33Å; T132-Q150 WeakPolarHBondContact CB-O 3.24Å; T132-Q150 PolarHBondContact N-O 3.49Å; G133-Q150 PolarHBondContact N-O 2.76Å; G133-Q150 PolarHBondContact O-N 3.14Å; W148-Q150 HydrophobicContact CE3-CB 4.15Å; W148-Q150 HydrophobicContact CZ3-CB 3.83Å; Q150-E152 PolarHBondContact NE2-OE1 3.46Å
151	F	90.7	Very high	84.7	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	128.6	173.8	-53.1	-98	0	0	0	109.6	V80 Q81 F83 Y121 L127 Y130 Y131 F164	V80-F151 WeakPolarHBondContact CA-O 3.37Å; Q81-F151 HydrophobicContact CB-CB 4.41Å; Q81-F151 PolarHBondContact N-O 2.69Å; Q81-F151 PolarHBondContact O-N 2.8Å; F83-F151 AromaticContact CD2-CD2 3.84Å; F83-F151 HydrophobicContact CD2-CD2 3.84Å; F83-F151 AromaticContact CD2-CE2 3.74Å; F83-F151 HydrophobicContact CD2-CE2 3.74Å; F83-F151 HydrophobicContact CE2-CD2 4.16Å; F83-F151 HydrophobicContact CE2-CE2 4.32Å; Y121-F151 HydrophobicContact CD1-CE1 4.42Å; Y121-F151 AromaticContact CD1-CZ 3.91Å; Y121-F151 HydrophobicContact CD1-CZ 3.91Å; Y121-F151 HydrophobicContact CD2-CZ 4.2Å; Y121-F151 AromaticContact CE1-CZ 3.97Å; Y121-F151 HydrophobicContact CE1-CZ 3.97Å; Y121-F151 HydrophobicContact CE2-CZ 4.23Å; Y121-F151 HydrophobicContact CG-CE1 4.3Å; Y121-F151 HydrophobicContact CG-CZ 4.03Å; L127-F151 HydrophobicContact CB-CE1 3.91Å; L127-F151 HydrophobicContact CD2-CE1 4.1Å; L127-F151 HydrophobicContact CD2-CZ 4.42Å; Y130-F151 CarbonylContact O-C 3.45Å; Y130-F151 VanDerWaalsContact O-CA 3.31Å; Y130-F151 WeakPolarHBondContact O-CA 3.5Å; Y131-F151 HydrophobicContact CD2-CD1 4.23Å; Y131-F151 AromaticContact CD2-CE1 3.7Å; Y131-F151 HydrophobicContact CD2-CE1 3.7Å; Y131-F151 HydrophobicContact CD2-CZ 4.01Å; Y131-F151 HydrophobicContact CG-CE1 4.29Å; F151-F164 HydrophobicContact CB-CE1 3.9Å; F151-F164 AromaticContact CD1-CE1 3.98Å; F151-F164 HydrophobicContact CD1-CE1 3.98Å; F151-F164 AromaticContact CG-CE1 3.93Å; F151-F164 HydrophobicContact CG-CE1 3.93Å
152	E	87.9	Confident	84.8	Confident	93 Å²	93	46.6 Å²	46.6	44%	0.435	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	115.2	179.1	-74.5	-173.4	176	0	0	110.7	V80 Y130 T132 Q150	V80-E152 HydrophobicContact CG1-CG 4.42Å; V80-E152 HydrophobicContact CG2-CG 4.26Å; Y130-E152 PolarHBondContact O-N 2.75Å; T132-E152 HydrophobicContact CG2-CG 4.37Å; T132-E152 WeakPolarHBondContact OG1-CG 3.43Å; T132-E152 PolarHBondContact OG1-N 3.11Å; Q150-E152 PolarHBondContact NE2-OE1 3.46Å
153	I	87.6	Confident	85.3	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	113.6	-177.4	-58.6	168.3	0	0	0	108.6	P78 S79 Q81 Y130 D157 L158 V161 F164	P78-I153 CarbonylContact C-O 3.55Å; P78-I153 VanDerWaalsContact CA-O 3.32Å; P78-I153 WeakPolarHBondContact CA-O 3.37Å; P78-I153 WeakPolarHBondContact CB-O 3.34Å; S79-I153 PolarHBondContact N-O 3.21Å; S79-I153 PolarHBondContact O-N 2.79Å; Q81-I153 HydrophobicContact CG-CD1 3.73Å; Y130-I153 HydrophobicContact CD1-CG1 4.27Å; Y130-I153 HydrophobicContact CE1-CG2 4.38Å; Y130-I153 HydrophobicContact CG-CG1 4.3Å; I153-D157 HydrophobicContact CG2-CB 3.97Å; I153-L158 HydrophobicContact CG2-CD2 4.48Å; I153-V161 HydrophobicContact CD1-CG2 3.82Å; I153-V161 HydrophobicContact CG2-CG2 4.28Å; I153-F164 HydrophobicContact CD1-CD2 3.65Å; I153-F164 HydrophobicContact CD1-CE2 3.47Å; I153-F164 VanDerWaalsContact CD1-CE2 3.47Å; I153-F164 HydrophobicContact CD1-CG 4.25Å; I153-F164 HydrophobicContact CD1-CZ 3.94Å; I153-F164 HydrophobicContact CG1-CE2 4.01Å; I153-F164 HydrophobicContact CG1-CZ 4.12Å
154	P	87.3	Confident	85.4	Confident	54 Å²	54	49 Å²	49	35%	0.351	26%	0.256	S	S	.	.			trans	-58.9	159	177.2	-25.5	35.7	0	0	0	113.4	D156 D157 L158	P154-D156 PolarHBondContact O-N 2.94Å; P154-D156 VanDerWaalsContact O-N 3.14Å; P154-D157 PolarHBondContact O-N 2.96Å; P154-L158 PolarHBondContact O-N 3.26Å
155	V	83.1	Confident	85.2	Confident	54 Å²	54	50.4 Å²	50.4	33%	0.327	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-56.6	-32	-178.8	-179.8	0	0	0	0	113	R76 L158	R76-V155 HydrophobicContact CB-CG1 3.63Å; R76-V155 WeakPolarHBondContact O-CG2 3.43Å; V155-L158 HydrophobicContact CG1-CD1 4.27Å; V155-L158 WeakPolarHBondContact O-CD1 3.35Å; V155-L158 WeakPolarHBondContact O-CG 3.11Å
156	D	82.6	Confident	85	Confident	154 Å²	154	54.6 Å²	54.6	82%	0.824	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-75.7	-23.1	-179.3	-52.1	-49.2	0	0	0	113.1	P154	P154-D156 PolarHBondContact O-N 2.94Å; P154-D156 VanDerWaalsContact O-N 3.14Å
157	D	83.8	Confident	84.8	Confident	38 Å²	38	61 Å²	61	20%	0.203	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-104.2	6.9	-175.1	-76.7	-54.9	0	0	0	112.8	K129 Y130 I153 P154 E159 I160	K129-D157 IonicContact NZ-OD1 2.92Å; K129-D157 PolarHBondContact NZ-OD1 3.12Å; K129-D157 IonicContact NZ-OD2 2.7Å; K129-D157 PolarHBondContact NZ-OD2 2.87Å; Y130-D157 HydrophobicContact CE1-CB 3.89Å; Y130-D157 WeakPolarHBondContact CE1-OD2 3.06Å; Y130-D157 WeakPolarHBondContact OH-CB 3.44Å; Y130-D157 PolarHBondContact OH-OD1 3.02Å; Y130-D157 PolarHBondContact OH-OD2 3.04Å; I153-D157 HydrophobicContact CG2-CB 3.97Å; P154-D157 PolarHBondContact O-N 2.96Å; D157-E159 PolarHBondContact O-N 2.64Å; D157-I160 HydrophobicContact CB-CD1 4.23Å; D157-I160 WeakPolarHBondContact O-CB 3.15Å; D157-I160 PolarHBondContact O-N 2.75Å
158	L	80.2	Confident	84.6	Confident	42 Å²	42	64.1 Å²	64.1	22%	0.22	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-59.6	-20.3	-173.2	-73.8	174.1	0	0	0	115.2	R76 S79 I153 P154 V155 I160 V161	R76-L158 HydrophobicContact CB-CD1 3.99Å; R76-L158 HydrophobicContact CG-CD1 4.43Å; S79-L158 VanDerWaalsContact CB-CD2 3.48Å; I153-L158 HydrophobicContact CG2-CD2 4.48Å; P154-L158 PolarHBondContact O-N 3.26Å; V155-L158 HydrophobicContact CG1-CD1 4.27Å; V155-L158 WeakPolarHBondContact O-CD1 3.35Å; V155-L158 WeakPolarHBondContact O-CG 3.11Å; L158-I160 PolarHBondContact O-N 3.28Å; L158-V161 HydrophobicContact CD2-CG2 4.21Å; L158-V161 VanDerWaalsContact O-CG2 3.31Å; L158-V161 WeakPolarHBondContact O-CG2 3.39Å; L158-V161 PolarHBondContact O-N 2.83Å
159	E	80.3	Confident	84.5	Confident	177 Å²	177	61.8 Å²	61.8	83%	0.827	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-66.8	-16.9	175.3	-61.7	-173.9	174.6	0	0	112.6	D157 P162	D157-E159 PolarHBondContact O-N 2.64Å; E159-P162 WeakPolarHBondContact O-CD 3.06Å
160	I	80.4	Confident	84.3	Confident	42 Å²	42	64.1 Å²	64.1	22%	0.215	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-92.9	-5.7	-176.6	-50.8	164.2	0	0	0	112	L126 Y130 D157 L158 P162 E163	L126-I160 HydrophobicContact CD1-CG2 3.76Å; L126-I160 HydrophobicContact CD2-CG2 4.07Å; Y130-I160 WeakPolarHBondContact OH-CD1 3.44Å; D157-I160 HydrophobicContact CB-CD1 4.23Å; D157-I160 WeakPolarHBondContact O-CB 3.15Å; D157-I160 PolarHBondContact O-N 2.75Å; L158-I160 PolarHBondContact O-N 3.28Å; I160-P162 VanDerWaalsContact C-CD 3.42Å; I160-P162 VanDerWaalsContact C-N 3.3Å; I160-E163 HydrophobicContact CG2-CB 4.03Å; I160-E163 HydrophobicContact CG2-CG 4.12Å; I160-E163 WeakPolarHBondContact O-CB 3.45Å; I160-E163 PolarHBondContact O-N 2.81Å
161	V	77.8	Confident	84.2	Confident	36 Å²	36	66.5 Å²	66.5	22%	0.218	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-50.6	-41	177.2	174	0	0	0	0	113.1	I153 L158 E163 F164	I153-V161 HydrophobicContact CD1-CG2 3.82Å; I153-V161 HydrophobicContact CG2-CG2 4.28Å; L158-V161 HydrophobicContact CD2-CG2 4.21Å; L158-V161 VanDerWaalsContact O-CG2 3.31Å; L158-V161 WeakPolarHBondContact O-CG2 3.39Å; L158-V161 PolarHBondContact O-N 2.83Å; V161-E163 PolarHBondContact O-N 3.45Å; V161-E163 VanDerWaalsContact O-N 3.17Å; V161-F164 WeakPolarHBondContact O-CB 3.32Å; V161-F164 PolarHBondContact O-N 3.29Å; V161-F164 VanDerWaalsContact O-N 3.1Å
162	P	78	Confident	84	Confident	113 Å²	113	67 Å²	67	73%	0.734	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-66.3	-11.8	176.8	-21.7	35.3	0	0	0	115.7	E159 I160 F164	E159-P162 WeakPolarHBondContact O-CD 3.06Å; I160-P162 VanDerWaalsContact C-CD 3.42Å; I160-P162 VanDerWaalsContact C-N 3.3Å; P162-F164 VanDerWaalsContact C-N 3.32Å
163	E	79.4	Confident	84	Confident	104 Å²	104	62.6 Å²	62.6	49%	0.486	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-82.6	-7.8	172.9	-65.7	-167.1	-155.1	0	0	113.4	L126 I160 V161 S165 R168	L126-E163 HydrophobicContact CD2-CB 3.86Å; I160-E163 HydrophobicContact CG2-CB 4.03Å; I160-E163 HydrophobicContact CG2-CG 4.12Å; I160-E163 WeakPolarHBondContact O-CB 3.45Å; I160-E163 PolarHBondContact O-N 2.81Å; V161-E163 PolarHBondContact O-N 3.45Å; V161-E163 VanDerWaalsContact O-N 3.17Å; E163-S165 VanDerWaalsContact C-N 3.32Å; E163-S165 PolarHBondContact O-N 2.9Å; E163-R168 VanDerWaalsContact O-CD 3.26Å; E163-R168 WeakPolarHBondContact O-CD 3.26Å; E163-R168 IonicContact OE2-NH1 3.06Å; E163-R168 PolarHBondContact OE2-NH1 3.18Å
164	F	80.6	Confident	84	Confident	10 Å²	10	68 Å²	68	4%	0.044	36%	0.355	C	S	.	.			trans	-88.8	64.9	172.4	-76.1	-100.8	0	0	0	110.6	Q81 F83 L126 L127 Y130 F151 I153 V161 P162	Q81-F164 HydrophobicContact CG-CB 4.43Å; Q81-F164 HydrophobicContact CG-CG 4.49Å; F83-F164 HydrophobicContact CE2-CD1 4.41Å; F83-F164 HydrophobicContact CZ-CB 4.35Å; L126-F164 HydrophobicContact CD2-CD2 4.09Å; L126-F164 HydrophobicContact CD2-CE2 3.76Å; L126-F164 HydrophobicContact CD2-CZ 4.23Å; L126-F164 HydrophobicContact CG-CE2 4.15Å; L126-F164 HydrophobicContact CG-CZ 4.28Å; L127-F164 HydrophobicContact CD2-CD1 3.81Å; L127-F164 HydrophobicContact CD2-CE1 3.66Å; Y130-F164 HydrophobicContact CD2-CE2 4.05Å; Y130-F164 AromaticContact CD2-CZ 3.53Å; Y130-F164 HydrophobicContact CD2-CZ 3.53Å; Y130-F164 HydrophobicContact CE2-CE2 4.23Å; Y130-F164 HydrophobicContact CE2-CZ 4.15Å; Y130-F164 HydrophobicContact CG-CZ 4.07Å; F151-F164 HydrophobicContact CB-CE1 3.9Å; F151-F164 AromaticContact CD1-CE1 3.98Å; F151-F164 HydrophobicContact CD1-CE1 3.98Å; F151-F164 AromaticContact CG-CE1 3.93Å; F151-F164 HydrophobicContact CG-CE1 3.93Å; I153-F164 HydrophobicContact CD1-CD2 3.65Å; I153-F164 HydrophobicContact CD1-CE2 3.47Å; I153-F164 VanDerWaalsContact CD1-CE2 3.47Å; I153-F164 HydrophobicContact CD1-CG 4.25Å; I153-F164 HydrophobicContact CD1-CZ 3.94Å; I153-F164 HydrophobicContact CG1-CE2 4.01Å; I153-F164 HydrophobicContact CG1-CZ 4.12Å; V161-F164 WeakPolarHBondContact O-CB 3.32Å; V161-F164 PolarHBondContact O-N 3.29Å; V161-F164 VanDerWaalsContact O-N 3.1Å; P162-F164 VanDerWaalsContact C-N 3.32Å
165	S	83.8	Confident	83.9	Confident	48 Å²	48	72 Å²	72	34%	0.336	37%	0.368	S	S	.	.			trans	-79	150.8	170.3	63	0	0	0	0	111.7	E163 E167 R168 V169	E163-S165 VanDerWaalsContact C-N 3.32Å; E163-S165 PolarHBondContact O-N 2.9Å; S165-E167 VanDerWaalsContact C-N 3.25Å; S165-E167 PolarHBondContact O-N 3.23Å; S165-R168 PolarHBondContact O-N 3.44Å; S165-R168 VanDerWaalsContact O-N 3.14Å; S165-R168 WeakPolarHBondContact OG-CB 3.18Å; S165-R168 PolarHBondContact OG-N 3.07Å; S165-V169 PolarHBondContact O-N 2.74Å
166	E	85.2	Confident	83.8	Confident	88 Å²	88	69.6 Å²	69.6	41%	0.411	35%	0.354	S	S	.	.	H	α-helix	trans	-54.5	-44.3	170.5	-61.5	174.8	143.5	0	0	111.1	F83 R168 V169 L170 S197 L198	F83-E166 HydrophobicContact CD1-CG 4.48Å; F83-E166 HydrophobicContact CE1-CG 4.07Å; E166-R168 VanDerWaalsContact C-N 3.28Å; E166-R168 PolarHBondContact O-N 3.34Å; E166-V169 PolarHBondContact O-N 2.86Å; E166-L170 WeakPolarHBondContact O-CB 3.46Å; E166-L170 WeakPolarHBondContact O-CG 2.99Å; E166-L170 PolarHBondContact O-N 2.72Å; E166-S197 WeakPolarHBondContact OE1-CA 3.29Å; E166-L198 HydrophobicContact CG-CB 4.09Å; E166-L198 PolarHBondContact OE1-N 2.64Å
167	E	86.2	Confident	83.7	Confident	145 Å²	145	63.8 Å²	63.8	68%	0.678	32%	0.323	S	S	*	.	H	α-helix	trans	-50	-45	174.7	-173.7	177.1	-148	0	0	112.1	S165 D171	S165-E167 VanDerWaalsContact C-N 3.25Å; S165-E167 PolarHBondContact O-N 3.23Å; E167-D171 WeakPolarHBondContact O-CB 3.37Å; E167-D171 PolarHBondContact O-N 2.84Å
168	R	87.8	Confident	83.4	Confident	65 Å²	65	64.8 Å²	64.8	25%	0.245	34%	0.336	C	S	.	.	H	α-helix	trans	-69.9	-37.7	178.2	-174.7	179.8	-172.7	156.8	3.4	113	D124 L126 E163 S165 E166 A172	D124-R168 IonicContact OD1-CZ 2.78Å; D124-R168 IonicContact OD1-NE 2.86Å; D124-R168 IonicContact OD1-NH2 2.95Å; D124-R168 PolarHBondContact OD1-NH2 2.89Å; D124-R168 VanDerWaalsContact OD1-NH2 3.15Å; D124-R168 IonicContact OD2-CZ 3.93Å; D124-R168 IonicContact OD2-NE 3.13Å; D124-R168 PolarHBondContact OD2-NE 2.04Å; D124-R168 IonicContact OD2-NH2 2.65Å; D124-R168 PolarHBondContact OD2-NH2 3.25Å; L126-R168 VanDerWaalsContact CB-NH2 3.3Å; L126-R168 VanDerWaalsContact CD2-NH1 3.29Å; E163-R168 VanDerWaalsContact O-CD 3.26Å; E163-R168 WeakPolarHBondContact O-CD 3.26Å; E163-R168 IonicContact OE2-NH1 3.06Å; E163-R168 PolarHBondContact OE2-NH1 3.18Å; S165-R168 PolarHBondContact O-N 3.44Å; S165-R168 VanDerWaalsContact O-N 3.14Å; S165-R168 WeakPolarHBondContact OG-CB 3.18Å; S165-R168 PolarHBondContact OG-N 3.07Å; E166-R168 VanDerWaalsContact C-N 3.28Å; E166-R168 PolarHBondContact O-N 3.34Å; R168-A172 WeakPolarHBondContact O-CB 3.43Å; R168-A172 PolarHBondContact O-N 2.87Å; R168-A172 VanDerWaalsContact O-N 3.08Å
169	V	88.6	Confident	82.7	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-68.3	-40.9	178	176.8	0	0	0	0	110.1	F83 Y121 L127 S165 E166 L173 A196	F83-V169 HydrophobicContact CB-CG1 4.28Å; F83-V169 HydrophobicContact CD1-CB 4.3Å; F83-V169 HydrophobicContact CD1-CG1 4.29Å; F83-V169 HydrophobicContact CD1-CG2 4.05Å; F83-V169 HydrophobicContact CD2-CG2 4.02Å; F83-V169 HydrophobicContact CE1-CB 4.44Å; F83-V169 HydrophobicContact CE1-CG2 3.87Å; F83-V169 HydrophobicContact CE2-CG2 3.82Å; F83-V169 HydrophobicContact CG-CB 4.5Å; F83-V169 HydrophobicContact CG-CG1 4.1Å; F83-V169 HydrophobicContact CG-CG2 4.13Å; F83-V169 HydrophobicContact CZ-CG2 3.75Å; Y121-V169 HydrophobicContact CE1-CG1 3.94Å; L127-V169 HydrophobicContact CD1-CG2 4.45Å; L127-V169 HydrophobicContact CD2-CG2 4.27Å; S165-V169 PolarHBondContact O-N 2.74Å; E166-V169 PolarHBondContact O-N 2.86Å; V169-L173 HydrophobicContact CG1-CD1 4.21Å; V169-L173 WeakPolarHBondContact O-CD1 3.47Å; V169-L173 VanDerWaalsContact O-CG 3.25Å; V169-L173 WeakPolarHBondContact O-CG 3.22Å; V169-L173 PolarHBondContact O-N 2.96Å; V169-A196 HydrophobicContact CG1-CB 3.77Å
170	L	88.4	Confident	81.9	Confident	50 Å²	50	59.5 Å²	59.5	26%	0.262	32%	0.317	S	S	.	.	H	α-helix	trans	-62.2	-52.7	172.3	-73.6	168.2	0	0	0	111.9	E166 A172 L173 E174 A196	E166-L170 WeakPolarHBondContact O-CB 3.46Å; E166-L170 WeakPolarHBondContact O-CG 2.99Å; E166-L170 PolarHBondContact O-N 2.72Å; L170-A172 VanDerWaalsContact C-N 3.28Å; L170-A172 PolarHBondContact O-N 3.4Å; L170-L173 WeakPolarHBondContact O-CB 3.5Å; L170-L173 PolarHBondContact O-N 3.32Å; L170-E174 PolarHBondContact O-N 3.33Å; L170-A196 HydrophobicContact CD2-CB 3.97Å; L170-A196 HydrophobicContact CG-CB 4.23Å
171	D	87.8	Confident	80.6	Confident	83 Å²	83	62 Å²	62	44%	0.444	34%	0.338	S	S	.	.	H	α-helix	trans	-52.7	-45.7	177.1	-89.8	-9.2	0	0	0	111.7	E167 L173 H175	E167-D171 WeakPolarHBondContact O-CB 3.37Å; E167-D171 PolarHBondContact O-N 2.84Å; D171-L173 VanDerWaalsContact C-N 3.32Å; D171-L173 PolarHBondContact O-N 3.49Å; D171-H175 VanDerWaalsContact O-CB 3.26Å; D171-H175 WeakPolarHBondContact O-CB 3.14Å; D171-H175 PolarHBondContact O-CD2 3.02Å; D171-H175 PolarHBondContact O-N 2.77Å
172	A	88.1	Confident	79.4	Confident	12 Å²	12	65.6 Å²	65.6	10%	0.099	36%	0.36	C	S	.	.	H	α-helix	trans	-65.1	-34.2	179.5	0	0	0	0	0	112.8	D124 L127 R168 L170 S176	D124-A172 HydrophobicContact CB-CB 4.3Å; L127-A172 HydrophobicContact CD1-CB 3.65Å; R168-A172 WeakPolarHBondContact O-CB 3.43Å; R168-A172 PolarHBondContact O-N 2.87Å; R168-A172 VanDerWaalsContact O-N 3.08Å; L170-A172 VanDerWaalsContact C-N 3.28Å; L170-A172 PolarHBondContact O-N 3.4Å; A172-S176 WeakPolarHBondContact O-CB 3.27Å; A172-S176 PolarHBondContact O-N 3.32Å; A172-S176 PolarHBondContact O-OG 2.87Å
173	L	88	Confident	78.1	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-73.3	-54.5	174.9	-71.7	165.4	0	0	0	111.4	L117 C120 Y121 Y147 V169 L170 D171 S176 I177 I194 A196	L117-L173 HydrophobicContact CD2-CD2 3.6Å; C120-L173 HydrophobicContact CB-CD2 3.86Å; Y121-L173 HydrophobicContact CE1-CD1 4.33Å; Y121-L173 HydrophobicContact CE1-CD2 3.89Å; Y121-L173 HydrophobicContact CE1-CG 3.94Å; Y147-L173 WeakPolarHBondContact OH-CD1 3.29Å; V169-L173 HydrophobicContact CG1-CD1 4.21Å; V169-L173 WeakPolarHBondContact O-CD1 3.47Å; V169-L173 VanDerWaalsContact O-CG 3.25Å; V169-L173 WeakPolarHBondContact O-CG 3.22Å; V169-L173 PolarHBondContact O-N 2.96Å; L170-L173 WeakPolarHBondContact O-CB 3.5Å; L170-L173 PolarHBondContact O-N 3.32Å; D171-L173 VanDerWaalsContact C-N 3.32Å; D171-L173 PolarHBondContact O-N 3.49Å; L173-S176 PolarHBondContact O-N 2.89Å; L173-I177 WeakPolarHBondContact O-CG1 3.31Å; L173-I177 PolarHBondContact O-N 3.05Å; L173-I194 HydrophobicContact CB-CD1 4.29Å; L173-I194 HydrophobicContact CB-CG2 4.27Å; L173-I194 HydrophobicContact CD1-CD1 4.14Å; L173-I194 HydrophobicContact CD1-CG1 4.33Å; L173-I194 HydrophobicContact CD2-CD1 4.01Å; L173-I194 HydrophobicContact CG-CD1 4.39Å; L173-A196 HydrophobicContact CD1-CB 4.03Å
174	E	87.6	Confident	76.3	Confident	114 Å²	114	68.9 Å²	68.9	53%	0.533	36%	0.363	S	S	.	.	H	α-helix	trans	-60.7	-49.8	-177.4	-73.3	-156.7	172.9	0	0	112.3	L170 S176 I177 A178 I194	L170-E174 PolarHBondContact O-N 3.33Å; E174-S176 VanDerWaalsContact C-N 3.27Å; E174-S176 PolarHBondContact O-N 3.12Å; E174-I177 PolarHBondContact O-N 3.46Å; E174-A178 VanDerWaalsContact O-CB 3.23Å; E174-A178 WeakPolarHBondContact O-CB 3.01Å; E174-A178 PolarHBondContact O-N 2.79Å; E174-I194 HydrophobicContact CG-CG2 4.27Å
175	H	84.1	Confident	74.5	Confident	136 Å²	136	75.7 Å²	75.7	63%	0.63	40%	0.4	S	S	*	.	H	α-helix	trans	-60.7	-38.2	177.9	-78.9	-39.6	0	0	0	112	D171 S179	D171-H175 VanDerWaalsContact O-CB 3.26Å; D171-H175 WeakPolarHBondContact O-CB 3.14Å; D171-H175 PolarHBondContact O-CD2 3.02Å; D171-H175 PolarHBondContact O-N 2.77Å; H175-S179 VanDerWaalsContact O-CB 3.29Å; H175-S179 WeakPolarHBondContact O-CB 3.5Å; H175-S179 PolarHBondContact O-N 3.29Å
176	S	80.5	Confident	72.9	Confident	5 Å²	5	79.2 Å²	79.2	4%	0.035	41%	0.414	C	S	.	.	H	α-helix	trans	-65.9	-49.2	177.9	-66	0	0	0	0	111.5	C120 N123 A172 L173 E174 S179 Q180	C120-S176 WeakPolarHBondContact CA-OG 3.35Å; C120-S176 PolarHBondContact O-OG 3.07Å; C120-S176 WeakPolarHBondContact SG-CB 3.38Å; N123-S176 PolarHBondContact ND2-OG 2.71Å; A172-S176 WeakPolarHBondContact O-CB 3.27Å; A172-S176 PolarHBondContact O-N 3.32Å; A172-S176 PolarHBondContact O-OG 2.87Å; L173-S176 PolarHBondContact O-N 2.89Å; E174-S176 VanDerWaalsContact C-N 3.27Å; E174-S176 PolarHBondContact O-N 3.12Å; S176-S179 PolarHBondContact O-N 3.17Å; S176-S179 PolarHBondContact O-OG 2.88Å; S176-Q180 WeakPolarHBondContact O-CG 3.44Å; S176-Q180 PolarHBondContact O-N 3.02Å
177	I	81.3	Confident	71.3	Confident	31 Å²	31	81.3 Å²	81.3	16%	0.159	43%	0.428	C	S	.	.	H	α-helix	trans	-61.3	-47.5	177.5	-73.1	160.2	0	0	0	111	L173 E174 S179 Q180 S181 V191 I194	L173-I177 WeakPolarHBondContact O-CG1 3.31Å; L173-I177 PolarHBondContact O-N 3.05Å; E174-I177 PolarHBondContact O-N 3.46Å; I177-S179 VanDerWaalsContact C-N 3.29Å; I177-S179 PolarHBondContact O-N 2.99Å; I177-Q180 PolarHBondContact O-N 3.45Å; I177-S181 PolarHBondContact O-N 2.85Å; I177-S181 VanDerWaalsContact O-N 3.16Å; I177-V191 HydrophobicContact CD1-CB 4.23Å; I177-V191 HydrophobicContact CD1-CG1 4.09Å; I177-V191 HydrophobicContact CD1-CG2 4.35Å; I177-V191 HydrophobicContact CG2-CB 4.06Å; I177-I194 HydrophobicContact CD1-CB 4.41Å; I177-I194 HydrophobicContact CD1-CD1 3.76Å; I177-I194 HydrophobicContact CD1-CG2 4.01Å
178	A	76.4	Confident	69.9	Low	59 Å²	59	81.7 Å²	81.7	49%	0.488	43%	0.43	S	S	.	.	H	α-helix	trans	-60.3	-38.1	176.9	0	0	0	0	0	112.1	E174	E174-A178 VanDerWaalsContact O-CB 3.23Å; E174-A178 WeakPolarHBondContact O-CB 3.01Å; E174-A178 PolarHBondContact O-N 2.79Å
179	S	67.4	Low	69.1	Low	56 Å²	56	81.2 Å²	81.2	39%	0.392	43%	0.432	S	S	.	.	H	α-helix	trans	-67.6	-40.4	176.8	81.7	0	0	0	0	112.7	H175 S176 I177 S181 T182	H175-S179 VanDerWaalsContact O-CB 3.29Å; H175-S179 WeakPolarHBondContact O-CB 3.5Å; H175-S179 PolarHBondContact O-N 3.29Å; S176-S179 PolarHBondContact O-N 3.17Å; S176-S179 PolarHBondContact O-OG 2.88Å; I177-S179 VanDerWaalsContact C-N 3.29Å; I177-S179 PolarHBondContact O-N 2.99Å; S179-S181 VanDerWaalsContact C-N 3.32Å; S179-S181 PolarHBondContact O-N 2.53Å; S179-T182 PolarHBondContact O-N 2.82Å; S179-T182 PolarHBondContact O-OG1 3.35Å
180	Q	61.5	Low	68.7	Low	53 Å²	53	87 Å²	87	25%	0.248	46%	0.457	C	S	.	.	H	α-helix	trans	-65.1	-36.8	179.3	-71.5	-176.6	36.8	0	0	111.8	L116 S176 I177 T182 R183 S184	L116-Q180 VanDerWaalsContact CD1-NE2 3.35Å; L116-Q180 VanDerWaalsContact CD1-OE1 3.31Å; S176-Q180 WeakPolarHBondContact O-CG 3.44Å; S176-Q180 PolarHBondContact O-N 3.02Å; I177-Q180 PolarHBondContact O-N 3.45Å; Q180-T182 PolarHBondContact O-N 2.77Å; Q180-R183 PolarHBondContact O-N 2.85Å; Q180-S184 PolarHBondContact O-OG 3.25Å
181	S	54.6	Low	68.5	Low	93 Å²	93	85.2 Å²	85.2	65%	0.65	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-10.4	171.9	-172.8	0	0	0	0	114.5	I177 S179	I177-S181 PolarHBondContact O-N 2.85Å; I177-S181 VanDerWaalsContact O-N 3.16Å; S179-S181 VanDerWaalsContact C-N 3.32Å; S179-S181 PolarHBondContact O-N 2.53Å
182	T	52.1	Low	68.2	Low	112 Å²	112	86.6 Å²	86.6	69%	0.687	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	-3.9	177.9	71.4	0	0	0	0	114.5	S179 Q180	S179-T182 PolarHBondContact O-N 2.82Å; S179-T182 PolarHBondContact O-OG1 3.35Å; Q180-T182 PolarHBondContact O-N 2.77Å
183	R	50.3	Low	68.1	Low	225 Å²	225	90 Å²	90	85%	0.849	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.8	-6.2	-163.4	-90.5	-175.6	169.3	-178.5	-1.6	118.2	Q180	Q180-R183 PolarHBondContact O-N 2.85Å
184	S	42.7	Very low	68.1	Low	61 Å²	61	90.7 Å²	90.7	43%	0.427	47%	0.472	S	S	.	.			trans	-139.1	133.5	-175	49.4	0	0	0	0	114.8	Q180 L186	Q180-S184 PolarHBondContact O-OG 3.25Å; S184-L186 PolarHBondContact O-N 3.18Å
185	N	42.3	Very low	68.2	Low	154 Å²	154	86.3 Å²	86.3	82%	0.824	45%	0.453	S	S	*	.			trans	-71.9	80.1	161.6	-72.4	15.9	0	0	0	109.5
186	L	49.1	Very low	68.5	Low	122 Å²	122	80.1 Å²	80.1	64%	0.639	43%	0.426	S	S	*	.			trans	-113.8	80.2	166.1	-92.9	162	0	0	0	106.8	S184 H188	S184-L186 PolarHBondContact O-N 3.18Å; L186-H188 PolarHBondContact O-N 2.83Å
187	D	53.1	Low	68.9	Low	131 Å²	131	80.1 Å²	80.1	70%	0.701	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-6.9	-156.5	-77.4	-42.5	0	0	0	116.7
188	H	57.2	Low	69.1	Low	154 Å²	154	82.2 Å²	82.2	71%	0.713	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.8	-6.3	-167.6	-65.1	-48.5	0	0	0	118.2	G91 L186	G91-H188 CarbonylContact C-O 3.48Å; G91-H188 WeakPolarHBondContact CA-O 3.21Å; L186-H188 PolarHBondContact O-N 2.83Å
189	L	70.8	Confident	69.5	Low	55 Å²	55	79.9 Å²	79.9	29%	0.288	42%	0.416	S	S	.	.			trans	-124.1	116.4	-178	-174.9	64.2	0	0	0	111.4	L89 V92 L109 T112 L113	L89-L189 HydrophobicContact CB-CD1 4.47Å; L89-L189 HydrophobicContact CD1-CD1 4.24Å; L89-L189 HydrophobicContact CD2-CD1 4.33Å; V92-L189 HydrophobicContact CG2-CD1 3.69Å; L109-L189 HydrophobicContact CD1-CD1 4.47Å; T112-L189 HydrophobicContact CG2-CD2 3.84Å; L113-L189 HydrophobicContact CD2-CD2 4Å
190	K	79.7	Confident	70.3	Confident	120 Å²	120	79.6 Å²	79.6	52%	0.522	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129.9	176	179.7	-175	177.7	-165	0	110.4	A90 L192	A90-K190 HydrophobicContact CB-CB 4.42Å; A90-K190 PolarHBondContact N-O 3.16Å; A90-K190 PolarHBondContact O-N 2.9Å; K190-L192 HydrophobicContact CD-CD2 4.25Å
191	V	83.4	Confident	71.2	Confident	14 Å²	14	78.2 Å²	78.2	9%	0.085	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	133.1	165.2	-177	0	0	0	0	108.9	M87 L89 L116 I177 E193 I194	M87-V191 HydrophobicContact CB-CG1 4.11Å; M87-V191 HydrophobicContact SD-CG2 4.46Å; L89-V191 HydrophobicContact CD2-CG2 3.88Å; L116-V191 HydrophobicContact CD2-CG2 3.91Å; I177-V191 HydrophobicContact CD1-CB 4.23Å; I177-V191 HydrophobicContact CD1-CG1 4.09Å; I177-V191 HydrophobicContact CD1-CG2 4.35Å; I177-V191 HydrophobicContact CG2-CB 4.06Å; V191-E193 VanDerWaalsContact CG1-O 3.29Å; V191-E193 WeakPolarHBondContact CG1-O 3.13Å; V191-I194 HydrophobicContact CG1-CB 4.27Å
192	L	82.8	Confident	72.4	Confident	111 Å²	111	76.2 Å²	76.2	58%	0.581	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	-37.1	175.5	-65.1	-178.2	0	0	0	112.6	K88 A90 K190	K88-L192 PolarHBondContact O-N 2.99Å; A90-L192 HydrophobicContact CB-CD1 3.97Å; A90-L192 HydrophobicContact CB-CD2 3.77Å; A90-L192 HydrophobicContact CB-CG 3.75Å; K190-L192 HydrophobicContact CD-CD2 4.25Å
193	E	85.6	Confident	73.7	Confident	85 Å²	85	71.4 Å²	71.4	40%	0.397	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	144.8	-168.4	-168.5	-175.7	145.2	0	0	107.6	M87 K88 V191	M87-E193 VanDerWaalsContact CA-O 3.29Å; M87-E193 WeakPolarHBondContact CA-O 3.11Å; K88-E193 HydrophobicContact CB-CB 4.29Å; K88-E193 HydrophobicContact CD-CB 4.28Å; K88-E193 VanDerWaalsContact CD-OE2 3.32Å; K88-E193 WeakPolarHBondContact CD-OE2 3.29Å; K88-E193 HydrophobicContact CG-CB 4.48Å; K88-E193 PolarHBondContact N-O 2.99Å; K88-E193 IonicContact NZ-OE1 3.54Å; K88-E193 PolarHBondContact NZ-OE1 3.25Å; K88-E193 IonicContact NZ-OE2 2.69Å; K88-E193 PolarHBondContact NZ-OE2 3.17Å; V191-E193 VanDerWaalsContact CG1-O 3.29Å; V191-E193 WeakPolarHBondContact CG1-O 3.13Å
194	I	88.8	Confident	74.5	Confident	13 Å²	13	61.6 Å²	61.6	7%	0.067	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	134.9	179.3	-169.6	158.8	0	0	0	110.1	H86 M87 L117 Y147 L173 E174 I177 V191	H86-I194 CarbonylContact O-C 3.51Å; H86-I194 WeakPolarHBondContact O-CA 3.39Å; M87-I194 HydrophobicContact CB-CB 4.36Å; M87-I194 HydrophobicContact CB-CD1 4.2Å; M87-I194 HydrophobicContact CB-CG1 4.09Å; M87-I194 HydrophobicContact CE-CD1 4.22Å; L117-I194 HydrophobicContact CD2-CD1 4.4Å; Y147-I194 HydrophobicContact CE1-CD1 4.21Å; Y147-I194 HydrophobicContact CE1-CG1 4.09Å; Y147-I194 WeakPolarHBondContact OH-CD1 3.31Å; Y147-I194 VanDerWaalsContact OH-CG1 3.29Å; Y147-I194 WeakPolarHBondContact OH-CG1 3.21Å; L173-I194 HydrophobicContact CB-CD1 4.29Å; L173-I194 HydrophobicContact CB-CG2 4.27Å; L173-I194 HydrophobicContact CD1-CD1 4.14Å; L173-I194 HydrophobicContact CD1-CG1 4.33Å; L173-I194 HydrophobicContact CD2-CD1 4.01Å; L173-I194 HydrophobicContact CG-CD1 4.39Å; E174-I194 HydrophobicContact CG-CG2 4.27Å; I177-I194 HydrophobicContact CD1-CB 4.41Å; I177-I194 HydrophobicContact CD1-CD1 3.76Å; I177-I194 HydrophobicContact CD1-CG2 4.01Å; V191-I194 HydrophobicContact CG1-CB 4.27Å
195	T	89.3	Confident	75.8	Confident	23 Å²	23	65.5 Å²	65.5	14%	0.141	33%	0.329	C	S	.	.			trans	-113.1	155	174.2	69	0	0	0	0	111.1	G85 H86 Y147 D278	G85-T195 WeakPolarHBondContact CA-O 3.41Å; G85-T195 WeakPolarHBondContact CA-OG1 3.15Å; H86-T195 WeakPolarHBondContact CE1-CG2 3.45Å; H86-T195 PolarHBondContact N-OG1 2.63Å; H86-T195 PolarHBondContact ND1-OG1 3.36Å; H86-T195 PolarHBondContact O-N 2.79Å; Y147-T195 PolarHBondContact OH-O 3.19Å; T195-D278 PolarHBondContact OG1-OD2 2.95Å
196	A	90	Very high	77.1	Confident	6 Å²	6	67.3 Å²	67.3	5%	0.05	33%	0.329	C	S	.	.			trans	-151.1	110.9	169.8	0	0	0	0	0	108.3	S84 V169 L170 L173	S84-A196 CarbonylContact O-C 3.44Å; S84-A196 WeakPolarHBondContact O-CA 3.03Å; V169-A196 HydrophobicContact CG1-CB 3.77Å; L170-A196 HydrophobicContact CD2-CB 3.97Å; L170-A196 HydrophobicContact CG-CB 4.23Å; L173-A196 HydrophobicContact CD1-CB 4.03Å
197	S	88.2	Confident	78.4	Confident	5 Å²	5	63.4 Å²	63.4	4%	0.035	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	149.8	176.3	55.3	0	0	0	0	110	F83 S84 E166 D278 D279	F83-S197 CarbonylContact C-O 3.52Å; F83-S197 WeakPolarHBondContact CA-O 3.43Å; S84-S197 PolarHBondContact N-O 2.6Å; S84-S197 PolarHBondContact O-N 2.91Å; S84-S197 PolarHBondContact O-OG 2.81Å; E166-S197 WeakPolarHBondContact OE1-CA 3.29Å; S197-D278 PolarHBondContact OG-OD1 2.79Å; S197-D279 PolarHBondContact OG-N 2.86Å
198	L	86.5	Confident	79.4	Confident	75 Å²	75	59.7 Å²	59.7	39%	0.393	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	128.7	176.5	-177.3	68.5	0	0	0	109.7	F83 E166	F83-L198 HydrophobicContact CD1-CB 4.44Å; F83-L198 HydrophobicContact CD1-CD1 4.43Å; F83-L198 HydrophobicContact CE1-CB 4.15Å; F83-L198 HydrophobicContact CE1-CD1 3.91Å; F83-L198 HydrophobicContact CE2-CD1 4.34Å; F83-L198 HydrophobicContact CZ-CD1 3.86Å; E166-L198 HydrophobicContact CG-CB 4.09Å; E166-L198 PolarHBondContact OE1-N 2.64Å
199	T	85.3	Confident	80.1	Confident	9 Å²	9	61.1 Å²	61.1	6%	0.055	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	151.5	-174.7	-47.1	0	0	0	0	110.7	L82 S84 A201 M203 P277	L82-T199 HydrophobicContact CD2-CG2 3.94Å; L82-T199 PolarHBondContact O-N 2.73Å; S84-T199 WeakPolarHBondContact CB-OG1 3.4Å; S84-T199 PolarHBondContact N-OG1 2.84Å; S84-T199 WeakPolarHBondContact OG-CB 3.37Å; S84-T199 PolarHBondContact OG-OG1 2.9Å; T199-A201 PolarHBondContact O-N 3.26Å; T199-A201 VanDerWaalsContact O-N 3.14Å; T199-M203 HydrophobicContact CG2-CB 4.18Å; T199-M203 HydrophobicContact CG2-CG 4.37Å; T199-M203 HydrophobicContact CG2-SD 3.65Å; T199-P277 HydrophobicContact CG2-CB 3.92Å; T199-P277 HydrophobicContact CG2-CG 4.29Å; T199-P277 VanDerWaalsContact CG2-O 3.29Å; T199-P277 WeakPolarHBondContact CG2-O 3.5Å; T199-P277 PolarHBondContact OG1-O 2.77Å; T199-P277 VanDerWaalsContact OG1-O 3.08Å
200	D	82.8	Confident	80.2	Confident	50 Å²	50	66.1 Å²	66.1	27%	0.267	33%	0.327	S	S	.	.			trans	-58.7	118.7	170	-171.6	-40.1	0	0	0	110.9	R202 M203 F268	D200-R202 PolarHBondContact O-N 2.97Å; D200-R202 WeakPolarHBondContact OD1-CB 3.47Å; D200-R202 VanDerWaalsContact OD1-CG 3.22Å; D200-R202 WeakPolarHBondContact OD1-CG 3.14Å; D200-R202 PolarHBondContact OD1-N 2.85Å; D200-R202 IonicContact OD1-NE 3.22Å; D200-R202 PolarHBondContact OD1-NE 2.91Å; D200-R202 IonicContact OD2-CZ 3.8Å; D200-R202 IonicContact OD2-NE 3.38Å; D200-R202 PolarHBondContact OD2-NE 3.44Å; D200-R202 IonicContact OD2-NH2 2.74Å; D200-R202 PolarHBondContact OD2-NH2 2.93Å; D200-M203 HydrophobicContact CB-CE 4.16Å; D200-M203 WeakPolarHBondContact O-CB 3.1Å; D200-M203 PolarHBondContact O-N 3.17Å; D200-F268 HydrophobicContact CB-CZ 4.45Å
201	A	80.9	Confident	80.5	Confident	25 Å²	25	60.8 Å²	60.8	21%	0.207	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-61	-11.8	-178.6	0	0	0	0	0	114.7	V80 L82 T199 M203 A204	V80-A201 HydrophobicContact CB-CB 3.8Å; V80-A201 HydrophobicContact CG1-CB 3.84Å; V80-A201 WeakPolarHBondContact O-CB 3.39Å; L82-A201 HydrophobicContact CB-CB 4.31Å; T199-A201 PolarHBondContact O-N 3.26Å; T199-A201 VanDerWaalsContact O-N 3.14Å; A201-M203 PolarHBondContact O-N 3.16Å; A201-A204 PolarHBondContact O-N 2.78Å
202	R	80.4	Confident	80.7	Confident	51 Å²	51	63.9 Å²	63.9	19%	0.192	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-61.1	-29.5	166.5	-67.9	178.9	-80.2	-163.3	-13.6	111.8	D200 R205 S265 D266 I310	D200-R202 PolarHBondContact O-N 2.97Å; D200-R202 WeakPolarHBondContact OD1-CB 3.47Å; D200-R202 VanDerWaalsContact OD1-CG 3.22Å; D200-R202 WeakPolarHBondContact OD1-CG 3.14Å; D200-R202 PolarHBondContact OD1-N 2.85Å; D200-R202 IonicContact OD1-NE 3.22Å; D200-R202 PolarHBondContact OD1-NE 2.91Å; D200-R202 IonicContact OD2-CZ 3.8Å; D200-R202 IonicContact OD2-NE 3.38Å; D200-R202 PolarHBondContact OD2-NE 3.44Å; D200-R202 IonicContact OD2-NH2 2.74Å; D200-R202 PolarHBondContact OD2-NH2 2.93Å; R202-R205 WeakPolarHBondContact O-CB 3.05Å; R202-R205 WeakPolarHBondContact O-CD 3.22Å; R202-R205 VanDerWaalsContact O-CG 3.31Å; R202-R205 WeakPolarHBondContact O-CG 3.04Å; R202-R205 PolarHBondContact O-N 3.16Å; R202-S265 PolarHBondContact NH1-O 3.25Å; R202-S265 PolarHBondContact NH2-O 2.68Å; R202-D266 PolarHBondContact NH1-O 3.43Å; R202-I310 HydrophobicContact CB-CD1 3.9Å; R202-I310 HydrophobicContact CB-CG2 4.38Å
203	M	78.4	Confident	81.1	Confident	11 Å²	11	62.2 Å²	62.2	5%	0.054	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-75.8	-18.8	-179.1	-60.9	-177	-165	0	0	114.4	L82 T199 D200 A201 R205 Y238 F268 S270 F272 P277 I310	L82-M203 HydrophobicContact CD2-CB 4.24Å; T199-M203 HydrophobicContact CG2-CB 4.18Å; T199-M203 HydrophobicContact CG2-CG 4.37Å; T199-M203 HydrophobicContact CG2-SD 3.65Å; D200-M203 HydrophobicContact CB-CE 4.16Å; D200-M203 WeakPolarHBondContact O-CB 3.1Å; D200-M203 PolarHBondContact O-N 3.17Å; A201-M203 PolarHBondContact O-N 3.16Å; M203-R205 PolarHBondContact O-N 3.07Å; M203-Y238 HydrophobicContact CG-CE2 4.35Å; M203-Y238 WeakPolarHBondContact O-CE1 3.2Å; M203-Y238 PolarHBondContact O-OH 3.36Å; M203-Y238 VanDerWaalsContact O-OH 3.12Å; M203-F268 HydrophobicContact CE-CE2 3.57Å; M203-F268 HydrophobicContact CE-CZ 3.74Å; M203-S270 WeakPolarHBondContact CE-OG 3.24Å; M203-F272 HydrophobicContact CE-CZ 4.31Å; M203-F272 HydrophobicContact SD-CZ 4.18Å; M203-P277 HydrophobicContact CB-CG 3.89Å; M203-P277 HydrophobicContact CG-CG 4.35Å; M203-P277 HydrophobicContact SD-CB 3.31Å; M203-P277 WeakPolarHBondContact SD-CB 3.32Å; M203-P277 HydrophobicContact SD-CG 3.75Å; M203-I310 HydrophobicContact CE-CD1 3.75Å; M203-I310 HydrophobicContact CG-CD1 3.59Å
204	A	66.8	Low	81.3	Confident	18 Å²	18	63.6 Å²	63.6	15%	0.149	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-68.2	-19.3	173	0	0	0	0	0	113.3	L82 A201	L82-A204 HydrophobicContact CD1-CB 3.75Å; L82-A204 HydrophobicContact CD2-CB 3.75Å; L82-A204 HydrophobicContact CG-CB 4.29Å; A201-A204 PolarHBondContact O-N 2.78Å
205	R	69.9	Low	81.5	Confident	144 Å²	144	64.8 Å²	64.8	54%	0.543	31%	0.313	S	S	.	.	S	Bend	trans	-66.7	152.4	-179.4	-60.4	175.4	-174.2	174.6	5	109.1	R202 M203 Y238	R202-R205 WeakPolarHBondContact O-CB 3.05Å; R202-R205 WeakPolarHBondContact O-CD 3.22Å; R202-R205 VanDerWaalsContact O-CG 3.31Å; R202-R205 WeakPolarHBondContact O-CG 3.04Å; R202-R205 PolarHBondContact O-N 3.16Å; M203-R205 PolarHBondContact O-N 3.07Å; R205-Y238 HydrophobicContact CB-CD1 4.33Å; R205-Y238 WeakPolarHBondContact O-CE1 3.3Å
206	K	69.6	Low	81.8	Confident	192 Å²	192	70.6 Å²	70.6	84%	0.835	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-64.8	138.1	163.5	-63.6	-169.7	178.4	-172	0	108.2
207	P	76.9	Confident	81.9	Confident	40 Å²	40	70.5 Å²	70.5	26%	0.26	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-50.6	149.8	172.5	-29.1	36.4	0	0	0	111.8	F212 Y238 Q240	P207-F212 HydrophobicContact CB-CB 4.08Å; P207-F212 HydrophobicContact CG-CB 4.16Å; P207-F212 HydrophobicContact CG-CD2 4.16Å; P207-Y238 WeakPolarHBondContact CA-O 3.5Å; P207-Y238 HydrophobicContact CB-CD1 4.44Å; P207-Y238 HydrophobicContact CG-CD1 4.3Å; P207-Y238 HydrophobicContact CG-CE1 4.1Å; P207-Q240 HydrophobicContact CG-CB 4.35Å
208	T	74.9	Confident	82.2	Confident	52 Å²	52	73.3 Å²	73.3	32%	0.319	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-57.3	152.2	177	-49.9	0	0	0	0	110.3	D210 C211 Y238	T208-D210 PolarHBondContact O-N 2.67Å; T208-C211 WeakPolarHBondContact O-CB 2.99Å; T208-C211 PolarHBondContact O-N 3.19Å; T208-Y238 PolarHBondContact N-O 3.11Å; T208-Y238 PolarHBondContact OG1-N 2.82Å; T208-Y238 PolarHBondContact OG1-O 3.49Å
209	E	71.4	Confident	82.5	Confident	184 Å²	184	73.9 Å²	73.9	86%	0.86	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48	131.8	176.1	-65.1	-175	150.1	0	0	111.1	C211	E209-C211 VanDerWaalsContact C-N 3.27Å; E209-C211 PolarHBondContact O-N 2.98Å
210	D	73.1	Confident	82.9	Confident	161 Å²	161	76.6 Å²	76.6	86%	0.861	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	22.5	-173.7	-56.7	-30.4	0	0	0	116.5	T208 F213	T208-D210 PolarHBondContact O-N 2.67Å; D210-F213 VanDerWaalsContact O-CZ 3.25Å; D210-F213 WeakPolarHBondContact O-CZ 3.27Å
211	C	84.7	Confident	83.4	Confident	8 Å²	8	78.7 Å²	78.7	5%	0.054	40%	0.402	C	S	.	.			trans	-116.6	22.2	-178.8	-125.7	0	0	0	0	117	T208 E209 P227 C239 Q240	T208-C211 WeakPolarHBondContact O-CB 2.99Å; T208-C211 PolarHBondContact O-N 3.19Å; E209-C211 VanDerWaalsContact C-N 3.27Å; E209-C211 PolarHBondContact O-N 2.98Å; C211-P227 WeakPolarHBondContact SG-CG 3.48Å; C211-C239 HydrophobicContact CB-CB 3.86Å; C211-C239 WeakPolarHBondContact CB-SG 3.47Å; C211-C239 VanDerWaalsContact O-CA 3.31Å; C211-C239 WeakPolarHBondContact O-CA 3.48Å; C211-C239 WeakPolarHBondContact SG-CB 3.22Å; C211-C239 CovalentContact SG-SG 2.03Å; C211-C239 PolarHBondContact SG-SG 3.44Å; C211-Q240 PolarHBondContact O-N 2.78Å
212	F	88.8	Confident	84.1	Confident	78 Å²	78	79.9 Å²	79.9	34%	0.342	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	122	170.4	176.4	-95.5	0	0	0	110.4	P207 R214 Q240 Q242	P207-F212 HydrophobicContact CB-CB 4.08Å; P207-F212 HydrophobicContact CG-CB 4.16Å; P207-F212 HydrophobicContact CG-CD2 4.16Å; F212-R214 HydrophobicContact CE1-CG 3.89Å; F212-R214 HydrophobicContact CZ-CG 4.11Å; F212-Q240 HydrophobicContact CD2-CB 4.18Å; F212-Q240 HydrophobicContact CD2-CG 4.15Å; F212-Q240 HydrophobicContact CE2-CG 4.29Å; F212-Q242 HydrophobicContact CE2-CG 4.42Å
213	F	90.4	Very high	84.8	Confident	76 Å²	76	83.6 Å²	83.6	33%	0.333	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	131.7	-172.9	-54.8	-83.6	0	0	0	111.2	D210 Q240 W241 Q242	D210-F213 VanDerWaalsContact O-CZ 3.25Å; D210-F213 WeakPolarHBondContact O-CZ 3.27Å; F213-Q240 PolarHBondContact N-O 2.86Å; F213-W241 HydrophobicContact CB-CG 4.22Å; F213-W241 AromaticContact CD2-CD1 3.44Å; F213-W241 VanDerWaalsContact CD2-CD1 3.44Å; F213-W241 HydrophobicContact CD2-CD2 4.2Å; F213-W241 AromaticContact CD2-CE2 3.67Å; F213-W241 HydrophobicContact CD2-CG 4.07Å; F213-W241 HydrophobicContact CD2-CZ2 4.32Å; F213-W241 AromaticContact CD2-NE1 3.13Å; F213-W241 AromaticContact CE2-CE2 3.92Å; F213-W241 HydrophobicContact CE2-CZ2 4.13Å; F213-W241 AromaticContact CE2-NE1 3.59Å; F213-W241 AromaticContact CG-CD1 3.65Å; F213-W241 AromaticContact CG-NE1 3.67Å; F213-W241 WeakPolarHBondContact O-CA 3.4Å; F213-Q242 PolarHBondContact O-N 3.09Å
214	R	90.1	Very high	85.6	Confident	115 Å²	115	84 Å²	84	43%	0.434	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124	165.1	-68.2	-176.2	-179.7	145.6	14.9	108.4	T101 F212 Q242	T101-R214 PolarHBondContact OG1-NH1 3.38Å; T101-R214 VanDerWaalsContact OG1-NH1 3.14Å; T101-R214 PolarHBondContact OG1-NH2 2.99Å; F212-R214 HydrophobicContact CE1-CG 3.89Å; F212-R214 HydrophobicContact CZ-CG 4.11Å; R214-Q242 WeakPolarHBondContact CA-O 3.46Å; R214-Q242 HydrophobicContact CG-CB 4.47Å
215	L	93.7	Very high	86.9	Confident	38 Å²	38	86.2 Å²	86.2	20%	0.199	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	137.7	-176	-59.2	-179.7	0	0	0	109.7	F224 W241 Q242 I243 R244 Y324	L215-F224 HydrophobicContact CD1-CD1 4.06Å; L215-F224 HydrophobicContact CD1-CE1 4.49Å; L215-F224 HydrophobicContact CD1-CG 4.39Å; L215-W241 HydrophobicContact CD1-CB 4.38Å; L215-Q242 PolarHBondContact N-O 3.26Å; L215-I243 HydrophobicContact CB-CG1 4.28Å; L215-I243 HydrophobicContact CB-CG2 4.37Å; L215-I243 HydrophobicContact CD1-CG1 4.28Å; L215-I243 CarbonylContact O-C 3.55Å; L215-I243 WeakPolarHBondContact O-CA 3.42Å; L215-R244 PolarHBondContact O-N 3.05Å; L215-Y324 HydrophobicContact CB-CE2 4.27Å; L215-Y324 HydrophobicContact CD1-CE1 3.96Å
216	E	94	Very high	88	Confident	144 Å²	144	79.4 Å²	79.4	67%	0.673	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.9	124.1	170	-170.5	-178.4	173.5	0	0	108.1	Q222 R244	E216-Q222 PolarHBondContact O-NE2 3.05Å; E216-Q222 PolarHBondContact O-OE1 2.94Å; E216-R244 WeakPolarHBondContact CA-O 3.1Å
217	A	93.5	Very high	88.8	Confident	5 Å²	5	71.9 Å²	71.9	4%	0.041	38%	0.376	C	S	.	.			trans	-87.2	133.7	179.7	0	0	0	0	0	110.9	I243 R244 A245 I251 Y324 I326	A217-I243 HydrophobicContact CB-CG2 3.92Å; A217-R244 PolarHBondContact N-O 3.04Å; A217-A245 HydrophobicContact CB-CB 4.39Å; A217-I251 HydrophobicContact CB-CG1 4.24Å; A217-Y324 HydrophobicContact CB-CD2 3.93Å; A217-Y324 HydrophobicContact CB-CE2 4.19Å; A217-I326 HydrophobicContact CB-CG2 3.66Å; A217-I326 VanDerWaalsContact O-CG2 3.22Å; A217-I326 WeakPolarHBondContact O-CG2 3.15Å
218	V	95	Very high	89.2	Confident	64 Å²	64	72.2 Å²	72.2	39%	0.388	39%	0.386	S	S	.	.			trans	-122.6	179	174.3	-62.8	0	0	0	0	111.9	A220 Q222 K325 I326	V218-A220 HydrophobicContact CG2-CB 4.21Å; V218-A220 PolarHBondContact O-N 2.92Å; V218-Q222 HydrophobicContact CG2-CG 4.38Å; V218-K325 WeakPolarHBondContact O-CA 3Å; V218-I326 PolarHBondContact O-N 3.05Å
219	A	91.5	Very high	89.8	Confident	86 Å²	86	71.9 Å²	71.9	71%	0.711	38%	0.381	S	S	*	.	S	Bend	trans	-70.9	-15.7	178.2	0	0	0	0	0	114	I326	A219-I326 HydrophobicContact CB-CD1 4.16Å; A219-I326 HydrophobicContact CB-CG1 4.22Å
220	A	93.1	Very high	90.5	Very high	66 Å²	66	67.6 Å²	67.6	55%	0.545	37%	0.369	S	S	.	.	S	Bend	trans	-88.3	136.8	171.4	0	0	0	0	0	110.1	V218 Q222	V218-A220 HydrophobicContact CG2-CB 4.21Å; V218-A220 PolarHBondContact O-N 2.92Å; A220-Q222 PolarHBondContact O-N 3.31Å
221	E	94	Very high	90.9	Very high	95 Å²	95	69.7 Å²	69.7	44%	0.444	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-67	116.4	-178.3	-173.2	177.7	90.7	0	0	112	R223 Q323	E221-R223 IonicContact OE1-CZ 3.35Å; E221-R223 IonicContact OE1-NH1 3.56Å; E221-R223 PolarHBondContact OE1-NH1 3.17Å; E221-R223 IonicContact OE1-NH2 3.19Å; E221-R223 PolarHBondContact OE1-NH2 3.07Å; E221-Q323 HydrophobicContact CG-CB 4.42Å
222	Q	95.9	Very high	90.8	Very high	50 Å²	50	70 Å²	70	23%	0.234	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	160.5	177.3	-65.3	157.3	-82	0	0	109.8	E216 V218 A220 Q323 Y324	E216-Q222 PolarHBondContact O-NE2 3.05Å; E216-Q222 PolarHBondContact O-OE1 2.94Å; V218-Q222 HydrophobicContact CG2-CG 4.38Å; A220-Q222 PolarHBondContact O-N 3.31Å; Q222-Q323 CarbonylContact O-C 3.58Å; Q222-Q323 VanDerWaalsContact O-CA 3.28Å; Q222-Q323 WeakPolarHBondContact O-CA 3.3Å; Q222-Y324 HydrophobicContact CB-CD1 3.85Å; Q222-Y324 HydrophobicContact CB-CD2 4.21Å; Q222-Y324 HydrophobicContact CB-CE1 3.36Å; Q222-Y324 HydrophobicContact CB-CE2 3.76Å; Q222-Y324 HydrophobicContact CB-CG 4.25Å; Q222-Y324 HydrophobicContact CG-CE2 4.29Å; Q222-Y324 PolarHBondContact N-O 3.35Å; Q222-Y324 PolarHBondContact NE2-OH 2.94Å; Q222-Y324 PolarHBondContact O-N 3.02Å
223	R	95.9	Very high	90.7	Very high	128 Å²	128	66.7 Å²	66.7	48%	0.483	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	149.1	-177.7	-48	-176	-154.1	-76.6	-28.6	111.7	E221 A322 Q323	E221-R223 IonicContact OE1-CZ 3.35Å; E221-R223 IonicContact OE1-NH1 3.56Å; E221-R223 PolarHBondContact OE1-NH1 3.17Å; E221-R223 IonicContact OE1-NH2 3.19Å; E221-R223 PolarHBondContact OE1-NH2 3.07Å; R223-A322 CarbonylContact C-O 3.52Å; R223-A322 VanDerWaalsContact CA-O 3.26Å; R223-A322 WeakPolarHBondContact CA-O 3.41Å; R223-Q323 HydrophobicContact CG-CB 4.4Å; R223-Q323 HydrophobicContact CG-CG 3.99Å
224	F	94.9	Very high	90.4	Very high	21 Å²	21	70 Å²	70	9%	0.092	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	165	168.7	68.2	-85.8	0	0	0	110.4	L215 W241 I243 I307 F320 A322 Y324	L215-F224 HydrophobicContact CD1-CD1 4.06Å; L215-F224 HydrophobicContact CD1-CE1 4.49Å; L215-F224 HydrophobicContact CD1-CG 4.39Å; F224-W241 AromaticContact CD2-CD1 3.59Å; F224-W241 AromaticContact CD2-CD2 3.88Å; F224-W241 HydrophobicContact CD2-CD2 3.88Å; F224-W241 AromaticContact CD2-CE2 3.55Å; F224-W241 AromaticContact CD2-CG 3.94Å; F224-W241 HydrophobicContact CD2-CG 3.94Å; F224-W241 HydrophobicContact CD2-CZ2 4.14Å; F224-W241 AromaticContact CD2-NE1 3.34Å; F224-W241 VanDerWaalsContact CD2-NE1 3.34Å; F224-W241 HydrophobicContact CE2-CB 4.43Å; F224-W241 AromaticContact CE2-CD1 3.88Å; F224-W241 AromaticContact CE2-CD2 3.61Å; F224-W241 HydrophobicContact CE2-CD2 3.61Å; F224-W241 AromaticContact CE2-CE2 3.75Å; F224-W241 HydrophobicContact CE2-CE3 4.1Å; F224-W241 AromaticContact CE2-CG 3.74Å; F224-W241 HydrophobicContact CE2-CG 3.74Å; F224-W241 HydrophobicContact CE2-CZ2 4.37Å; F224-W241 AromaticContact CE2-NE1 3.89Å; F224-W241 HydrophobicContact CZ-CG 4.34Å; F224-I243 HydrophobicContact CE1-CD1 4.28Å; F224-I307 HydrophobicContact CZ-CD1 3.8Å; F224-F320 HydrophobicContact CD2-CE2 4.23Å; F224-F320 AromaticContact CE2-CE2 3.82Å; F224-F320 HydrophobicContact CE2-CE2 3.82Å; F224-F320 HydrophobicContact CE2-CZ 4.47Å; F224-A322 HydrophobicContact CD1-CB 3.96Å; F224-A322 HydrophobicContact CD2-CB 4.13Å; F224-A322 HydrophobicContact CE1-CB 3.53Å; F224-A322 HydrophobicContact CE2-CB 3.73Å; F224-A322 HydrophobicContact CG-CB 4.25Å; F224-A322 HydrophobicContact CZ-CB 3.39Å; F224-A322 PolarHBondContact N-O 2.94Å; F224-A322 PolarHBondContact O-N 3.31Å; F224-A322 VanDerWaalsContact O-O 3.11Å; F224-Y324 AromaticContact CD1-CD1 3.63Å; F224-Y324 HydrophobicContact CD1-CD1 3.63Å; F224-Y324 AromaticContact CD1-CE1 3.81Å; F224-Y324 HydrophobicContact CD1-CE1 3.81Å; F224-Y324 AromaticContact CE1-CD1 3.94Å; F224-Y324 HydrophobicContact CE1-CD1 3.94Å; F224-Y324 HydrophobicContact CE1-CE1 4.46Å
225	T	94.1	Very high	90.1	Very high	63 Å²	63	67.3 Å²	67.3	39%	0.387	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	155.9	-177.4	61.3	0	0	0	0	110.7	F229 F320 E321	T225-F229 HydrophobicContact CG2-CD1 3.81Å; T225-F229 HydrophobicContact CG2-CE1 4.38Å; T225-F229 HydrophobicContact CG2-CG 4.39Å; T225-F320 WeakPolarHBondContact CA-O 3.42Å; T225-E321 HydrophobicContact CG2-CB 4.24Å; T225-E321 HydrophobicContact CG2-CG 4.1Å
226	S	91.9	Very high	89.6	Confident	1 Å²	1	71.5 Å²	71.5	1%	0.007	39%	0.391	C	S	.	.			trans	-60.9	157.1	163.8	61.5	0	0	0	0	110.9	F229 G319 F320	S226-F229 WeakPolarHBondContact O-CB 3.49Å; S226-F229 PolarHBondContact O-N 2.04Å; S226-G319 VanDerWaalsContact OG-CA 3.28Å; S226-G319 WeakPolarHBondContact OG-CA 3.2Å; S226-F320 PolarHBondContact N-O 2.89Å; S226-F320 PolarHBondContact OG-N 2.9Å
227	P	87.3	Confident	89.2	Confident	34 Å²	34	64.9 Å²	64.9	22%	0.221	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	143.3	174.9	-24.2	34.2	0	0	0	112	C211 F229 Y233 C239	C211-P227 WeakPolarHBondContact SG-CG 3.48Å; P227-F229 PolarHBondContact O-N 3.21Å; P227-Y233 VanDerWaalsContact O-CA 3.26Å; P227-Y233 WeakPolarHBondContact O-CA 3.43Å; P227-C239 WeakPolarHBondContact CG-SG 3.44Å
228	G	84.3	Confident	89.1	Confident	47 Å²	47	65.2 Å²	65.2	49%	0.485	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	-2.2	174.3	0	0	0	0	0	116.1	K231 G232	G228-K231 WeakPolarHBondContact O-CA 3.46Å; G228-K231 WeakPolarHBondContact O-CB 3.26Å; G228-K231 PolarHBondContact O-N 2.89Å; G228-G232 CarbonylContact C-O 3.21Å; G228-G232 VanDerWaalsContact CA-O 3.32Å; G228-G232 WeakPolarHBondContact CA-O 3.41Å; G228-G232 PolarHBondContact O-N 2.88Å; G228-G232 VanDerWaalsContact O-N 3.08Å
229	F	87.4	Confident	88.9	Confident	46 Å²	46	62.2 Å²	62.2	20%	0.202	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	139.2	171.5	-175.4	-93.8	0	0	0	111.1	T225 S226 P227 I257 P318 E321	T225-F229 HydrophobicContact CG2-CD1 3.81Å; T225-F229 HydrophobicContact CG2-CE1 4.38Å; T225-F229 HydrophobicContact CG2-CG 4.39Å; S226-F229 WeakPolarHBondContact O-CB 3.49Å; S226-F229 PolarHBondContact O-N 2.04Å; P227-F229 PolarHBondContact O-N 3.21Å; F229-I257 HydrophobicContact CE2-CG2 3.83Å; F229-I257 HydrophobicContact CZ-CB 4.33Å; F229-I257 HydrophobicContact CZ-CD1 4.01Å; F229-I257 HydrophobicContact CZ-CG2 3.93Å; F229-P318 VanDerWaalsContact CD2-O 3.32Å; F229-P318 WeakPolarHBondContact CD2-O 3.49Å; F229-E321 HydrophobicContact CE1-CB 4.13Å; F229-E321 HydrophobicContact CZ-CB 4.11Å
230	P	86.6	Confident	89	Confident	94 Å²	94	59 Å²	59	61%	0.61	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	cis	-92.2	13	-0	38.3	-37.3	0	0	0	113.9
231	K	81.2	Confident	89	Confident	204 Å²	204	56.1 Å²	56.1	89%	0.887	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-30.6	-178	-63.2	-177.6	179.9	179.1	0	112.9	G228	G228-K231 WeakPolarHBondContact O-CA 3.46Å; G228-K231 WeakPolarHBondContact O-CB 3.26Å; G228-K231 PolarHBondContact O-N 2.89Å
232	G	84.1	Confident	89	Confident	16 Å²	16	51.9 Å²	51.9	17%	0.165	27%	0.268	C	S	.	.			trans	132	152.1	178.7	0	0	0	0	0	112.6	G228 R317	G228-G232 CarbonylContact C-O 3.21Å; G228-G232 VanDerWaalsContact CA-O 3.32Å; G228-G232 WeakPolarHBondContact CA-O 3.41Å; G228-G232 PolarHBondContact O-N 2.88Å; G228-G232 VanDerWaalsContact O-N 3.08Å; G232-R317 WeakPolarHBondContact CA-O 3.31Å
233	Y	85.6	Confident	88.9	Confident	8 Å²	8	49.5 Å²	49.5	3%	0.031	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-74.8	172.2	178.7	44.4	-93.2	0	0	0	112.1	P227 I260 E261 D267 F309 A311 Q316 R317	P227-Y233 VanDerWaalsContact O-CA 3.26Å; P227-Y233 WeakPolarHBondContact O-CA 3.43Å; Y233-I260 HydrophobicContact CD1-CD1 4.44Å; Y233-I260 HydrophobicContact CE1-CD1 3.8Å; Y233-E261 PolarHBondContact OH-N 2.83Å; Y233-D267 WeakPolarHBondContact CE2-OD2 3.37Å; Y233-D267 PolarHBondContact OH-OD2 3.2Å; Y233-F309 HydrophobicContact CD1-CE1 4.13Å; Y233-F309 AromaticContact CD1-CZ 3.64Å; Y233-F309 HydrophobicContact CD1-CZ 3.64Å; Y233-F309 HydrophobicContact CD2-CE1 4.2Å; Y233-F309 AromaticContact CD2-CZ 3.71Å; Y233-F309 HydrophobicContact CD2-CZ 3.71Å; Y233-F309 AromaticContact CE1-CZ 3.91Å; Y233-F309 HydrophobicContact CE1-CZ 3.91Å; Y233-F309 AromaticContact CE2-CZ 3.96Å; Y233-F309 HydrophobicContact CE2-CZ 3.96Å; Y233-F309 AromaticContact CG-CE1 3.79Å; Y233-F309 HydrophobicContact CG-CE1 3.79Å; Y233-F309 AromaticContact CG-CZ 3.54Å; Y233-F309 HydrophobicContact CG-CZ 3.54Å; Y233-A311 HydrophobicContact CD2-CB 3.77Å; Y233-A311 HydrophobicContact CE2-CB 3.86Å; Y233-Q316 HydrophobicContact CD2-CB 4.35Å; Y233-Q316 HydrophobicContact CD2-CG 4.36Å; Y233-Q316 HydrophobicContact CE2-CB 4.25Å; Y233-Q316 HydrophobicContact CE2-CG 4.42Å; Y233-Q316 WeakPolarHBondContact O-CG 3.43Å; Y233-R317 WeakPolarHBondContact CD1-O 3.09Å; Y233-R317 HydrophobicContact CE1-CB 3.99Å; Y233-R317 WeakPolarHBondContact CE1-O 3.49Å; Y233-R317 VanDerWaalsContact CZ-N 3.32Å; Y233-R317 PolarHBondContact N-O 3.5Å; Y233-R317 WeakPolarHBondContact OH-CB 3.08Å; Y233-R317 PolarHBondContact OH-N 3.39Å
234	K	84.4	Confident	88.8	Confident	144 Å²	144	45.3 Å²	45.3	63%	0.626	24%	0.241	S	C	*	.	P	Polyproline II helix	trans	-88.4	145.9	173.8	-59.6	173.6	-174.7	168.3	0	109.5	S237	K234-S237 WeakPolarHBondContact O-CB 3.35Å; K234-S237 PolarHBondContact O-N 2.73Å; K234-S237 PolarHBondContact O-OG 3.46Å
235	P	83.6	Confident	88.7	Confident	60 Å²	60	44.9 Å²	44.9	39%	0.39	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	149.9	166.3	24.9	-31.5	0	0	0	111	S237 D312	P235-S237 PolarHBondContact O-N 3.09Å; P235-D312 CarbonylContact C-O 3.45Å; P235-D312 WeakPolarHBondContact CA-O 3.5Å; P235-D312 VanDerWaalsContact CB-O 3.25Å; P235-D312 WeakPolarHBondContact CB-O 3.27Å
236	Q	83.1	Confident	88.5	Confident	125 Å²	125	45 Å²	45	58%	0.584	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	24.4	-176.1	-56.5	-172	-26.8	0	0	114.8	A311 D312 T313	Q236-A311 WeakPolarHBondContact CA-O 3.05Å; Q236-A311 PolarHBondContact N-O 2.89Å; Q236-D312 PolarHBondContact N-O 2.89Å; Q236-T313 HydrophobicContact CG-CG2 3.81Å
237	S	86.5	Confident	88.2	Confident	5 Å²	5	50.9 Å²	50.9	4%	0.035	28%	0.276	C	S	.	.			trans	-67.1	130.6	170.2	-62.6	0	0	0	0	110.4	K234 P235 A311	K234-S237 WeakPolarHBondContact O-CB 3.35Å; K234-S237 PolarHBondContact O-N 2.73Å; K234-S237 PolarHBondContact O-OG 3.46Å; P235-S237 PolarHBondContact O-N 3.09Å; S237-A311 PolarHBondContact O-N 3.05Å
238	Y	90.2	Very high	88.4	Confident	13 Å²	13	56 Å²	56	5%	0.051	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	119.2	160.2	173.6	-138	0	0	0	108.5	M203 R205 P207 T208 Q240 N308 F309 I310	M203-Y238 HydrophobicContact CG-CE2 4.35Å; M203-Y238 WeakPolarHBondContact O-CE1 3.2Å; M203-Y238 PolarHBondContact O-OH 3.36Å; M203-Y238 VanDerWaalsContact O-OH 3.12Å; R205-Y238 HydrophobicContact CB-CD1 4.33Å; R205-Y238 WeakPolarHBondContact O-CE1 3.3Å; P207-Y238 WeakPolarHBondContact CA-O 3.5Å; P207-Y238 HydrophobicContact CB-CD1 4.44Å; P207-Y238 HydrophobicContact CG-CD1 4.3Å; P207-Y238 HydrophobicContact CG-CE1 4.1Å; T208-Y238 PolarHBondContact N-O 3.11Å; T208-Y238 PolarHBondContact OG1-N 2.82Å; T208-Y238 PolarHBondContact OG1-O 3.49Å; Y238-Q240 PolarHBondContact OH-NE2 3.22Å; Y238-N308 HydrophobicContact CE2-CB 4.25Å; Y238-F309 WeakPolarHBondContact CA-O 3.02Å; Y238-I310 HydrophobicContact CD2-CD1 4.35Å; Y238-I310 HydrophobicContact CD2-CG1 3.69Å; Y238-I310 HydrophobicContact CE2-CD1 4.47Å; Y238-I310 HydrophobicContact CE2-CG1 4.21Å
239	C	91.6	Very high	88.8	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.007	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	142.1	-170.7	-63.1	0	0	0	0	110.8	C211 P227 W241 N308 F309	C211-C239 HydrophobicContact CB-CB 3.86Å; C211-C239 WeakPolarHBondContact CB-SG 3.47Å; C211-C239 VanDerWaalsContact O-CA 3.31Å; C211-C239 WeakPolarHBondContact O-CA 3.48Å; C211-C239 WeakPolarHBondContact SG-CB 3.22Å; C211-C239 CovalentContact SG-SG 2.03Å; C211-C239 PolarHBondContact SG-SG 3.44Å; P227-C239 WeakPolarHBondContact CG-SG 3.44Å; C239-W241 HydrophobicContact CB-CH2 3.62Å; C239-W241 HydrophobicContact CB-CZ2 4.29Å; C239-W241 HydrophobicContact CB-CZ3 3.89Å; C239-N308 CarbonylContact O-C 3.58Å; C239-N308 WeakPolarHBondContact O-CA 3.34Å; C239-F309 HydrophobicContact CB-CB 4.36Å; C239-F309 HydrophobicContact CB-CD1 4.46Å; C239-F309 PolarHBondContact N-O 2.8Å; C239-F309 PolarHBondContact O-N 2.9Å
240	Q	92.5	Very high	89.1	Confident	19 Å²	19	52.9 Å²	52.9	9%	0.089	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	127	-168.9	178.8	163.1	91.1	0	0	111.1	P207 C211 F212 F213 Y238 L306 I307 N308	P207-Q240 HydrophobicContact CG-CB 4.35Å; C211-Q240 PolarHBondContact O-N 2.78Å; F212-Q240 HydrophobicContact CD2-CB 4.18Å; F212-Q240 HydrophobicContact CD2-CG 4.15Å; F212-Q240 HydrophobicContact CE2-CG 4.29Å; F213-Q240 PolarHBondContact N-O 2.86Å; Y238-Q240 PolarHBondContact OH-NE2 3.22Å; Q240-L306 HydrophobicContact CG-CD1 3.62Å; Q240-I307 WeakPolarHBondContact CA-O 3.34Å; Q240-N308 WeakPolarHBondContact CG-OD1 3.31Å; Q240-N308 PolarHBondContact NE2-OD1 2.89Å
241	W	94.4	Very high	89.6	Confident	4 Å²	4	48.4 Å²	48.4	2%	0.015	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	108.7	173.9	-58.9	-96.2	0	0	0	108.8	F213 L215 F224 C239 I307 F309 F320	F213-W241 HydrophobicContact CB-CG 4.22Å; F213-W241 AromaticContact CD2-CD1 3.44Å; F213-W241 VanDerWaalsContact CD2-CD1 3.44Å; F213-W241 HydrophobicContact CD2-CD2 4.2Å; F213-W241 AromaticContact CD2-CE2 3.67Å; F213-W241 HydrophobicContact CD2-CG 4.07Å; F213-W241 HydrophobicContact CD2-CZ2 4.32Å; F213-W241 AromaticContact CD2-NE1 3.13Å; F213-W241 AromaticContact CE2-CE2 3.92Å; F213-W241 HydrophobicContact CE2-CZ2 4.13Å; F213-W241 AromaticContact CE2-NE1 3.59Å; F213-W241 AromaticContact CG-CD1 3.65Å; F213-W241 AromaticContact CG-NE1 3.67Å; F213-W241 WeakPolarHBondContact O-CA 3.4Å; L215-W241 HydrophobicContact CD1-CB 4.38Å; F224-W241 AromaticContact CD2-CD1 3.59Å; F224-W241 AromaticContact CD2-CD2 3.88Å; F224-W241 HydrophobicContact CD2-CD2 3.88Å; F224-W241 AromaticContact CD2-CE2 3.55Å; F224-W241 AromaticContact CD2-CG 3.94Å; F224-W241 HydrophobicContact CD2-CG 3.94Å; F224-W241 HydrophobicContact CD2-CZ2 4.14Å; F224-W241 AromaticContact CD2-NE1 3.34Å; F224-W241 VanDerWaalsContact CD2-NE1 3.34Å; F224-W241 HydrophobicContact CE2-CB 4.43Å; F224-W241 AromaticContact CE2-CD1 3.88Å; F224-W241 AromaticContact CE2-CD2 3.61Å; F224-W241 HydrophobicContact CE2-CD2 3.61Å; F224-W241 AromaticContact CE2-CE2 3.75Å; F224-W241 HydrophobicContact CE2-CE3 4.1Å; F224-W241 AromaticContact CE2-CG 3.74Å; F224-W241 HydrophobicContact CE2-CG 3.74Å; F224-W241 HydrophobicContact CE2-CZ2 4.37Å; F224-W241 AromaticContact CE2-NE1 3.89Å; F224-W241 HydrophobicContact CZ-CG 4.34Å; C239-W241 HydrophobicContact CB-CH2 3.62Å; C239-W241 HydrophobicContact CB-CZ2 4.29Å; C239-W241 HydrophobicContact CB-CZ3 3.89Å; W241-I307 HydrophobicContact CB-CB 4.41Å; W241-I307 HydrophobicContact CE3-CB 4.37Å; W241-I307 HydrophobicContact CE3-CG2 4.03Å; W241-I307 PolarHBondContact N-O 2.88Å; W241-I307 PolarHBondContact O-N 2.85Å; W241-F309 HydrophobicContact CH2-CB 4.03Å; W241-F309 HydrophobicContact CZ3-CB 3.67Å; W241-F320 HydrophobicContact CH2-CE2 4.45Å; W241-F320 AromaticContact CH2-CZ 3.72Å; W241-F320 HydrophobicContact CH2-CZ 3.72Å; W241-F320 HydrophobicContact CZ2-CZ 4.42Å; W241-F320 AromaticContact CZ3-CZ 3.86Å; W241-F320 HydrophobicContact CZ3-CZ 3.86Å
242	Q	93.1	Very high	90.2	Very high	7 Å²	7	39.4 Å²	39.4	3%	0.033	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	112.8	168	-76	179.6	-21.8	0	0	108.2	F212 F213 R214 L215 L275 L306	F212-Q242 HydrophobicContact CE2-CG 4.42Å; F213-Q242 PolarHBondContact O-N 3.09Å; R214-Q242 WeakPolarHBondContact CA-O 3.46Å; R214-Q242 HydrophobicContact CG-CB 4.47Å; L215-Q242 PolarHBondContact N-O 3.26Å; Q242-L275 HydrophobicContact CB-CD2 4.49Å; Q242-L275 HydrophobicContact CG-CD2 4.43Å; Q242-L275 PolarHBondContact NE2-O 3.28Å; Q242-L306 HydrophobicContact CG-CD1 3.6Å
243	I	94.9	Very high	90.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	130.1	177	-44.6	-177.1	0	0	0	108.8	L215 A217 F224 I251 V253 I304 M305 I307 Y324	L215-I243 HydrophobicContact CB-CG1 4.28Å; L215-I243 HydrophobicContact CB-CG2 4.37Å; L215-I243 HydrophobicContact CD1-CG1 4.28Å; L215-I243 CarbonylContact O-C 3.55Å; L215-I243 WeakPolarHBondContact O-CA 3.42Å; A217-I243 HydrophobicContact CB-CG2 3.92Å; F224-I243 HydrophobicContact CE1-CD1 4.28Å; I243-I251 HydrophobicContact CB-CD1 4.01Å; I243-I251 HydrophobicContact CB-CG2 4.49Å; I243-I251 HydrophobicContact CD1-CG2 4.48Å; I243-I251 HydrophobicContact CG2-CD1 3.77Å; I243-I251 HydrophobicContact CG2-CG1 4.26Å; I243-I251 HydrophobicContact CG2-CG2 3.98Å; I243-I251 WeakPolarHBondContact O-CD1 3.06Å; I243-V253 HydrophobicContact CD1-CG2 4.04Å; I243-I304 WeakPolarHBondContact O-CA 3.45Å; I243-M305 HydrophobicContact CB-CB 4.47Å; I243-M305 PolarHBondContact N-O 2.83Å; I243-M305 PolarHBondContact O-N 2.99Å; I243-I307 HydrophobicContact CD1-CD1 4.1Å; I243-Y324 HydrophobicContact CD1-CD2 4.48Å; I243-Y324 HydrophobicContact CD1-CG 4.41Å; I243-Y324 HydrophobicContact CG2-CD2 4.1Å; I243-Y324 HydrophobicContact CG2-CE2 4.31Å
244	R	93	Very high	91.2	Very high	39 Å²	39	39.4 Å²	39.4	15%	0.147	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	154.8	171.1	-63.1	-166.4	-175.3	-125.3	0.2	111.3	E99 F139 L215 E216 A217 L275 N303 I304	E99-R244 WeakPolarHBondContact OE1-CD 3.24Å; E99-R244 IonicContact OE1-CZ 2.76Å; E99-R244 VanDerWaalsContact OE1-CZ 3.31Å; E99-R244 IonicContact OE1-NE 2.68Å; E99-R244 PolarHBondContact OE1-NE 3.02Å; E99-R244 IonicContact OE1-NH1 3.46Å; E99-R244 PolarHBondContact OE1-NH1 2.86Å; F139-R244 PolarHBondContact O-NH1 2.98Å; F139-R244 PolarHBondContact O-NH2 2.86Å; L215-R244 PolarHBondContact O-N 3.05Å; E216-R244 WeakPolarHBondContact CA-O 3.1Å; A217-R244 PolarHBondContact N-O 3.04Å; R244-L275 VanDerWaalsContact NH2-CD1 3.3Å; R244-N303 CarbonylContact C-O 3.56Å; R244-N303 WeakPolarHBondContact CA-O 3.35Å; R244-I304 HydrophobicContact CG-CG2 4.49Å
245	A	93.1	Very high	91.6	Very high	12 Å²	12	32.6 Å²	32.6	10%	0.099	18%	0.175	C	C	.	.			trans	-138.1	169.2	171.3	0	0	0	0	0	110	A217 N249 I251 N303 I326	A217-A245 HydrophobicContact CB-CB 4.39Å; A245-N249 HydrophobicContact CB-CB 4.44Å; A245-I251 HydrophobicContact CB-CD1 4.3Å; A245-I251 HydrophobicContact CB-CG1 3.88Å; A245-N303 HydrophobicContact CB-CB 4.11Å; A245-N303 PolarHBondContact N-O 2.93Å; A245-N303 WeakPolarHBondContact O-CB 3.48Å; A245-N303 PolarHBondContact O-ND2 2.98Å; A245-I326 HydrophobicContact CB-CG2 3.75Å
246	A	90.6	Very high	91.7	Very high	67 Å²	67	31.6 Å²	31.6	55%	0.554	17%	0.168	S	C	*	.			trans	-69.5	141.3	171.6	0	0	0	0	0	111.6	E248 N249	A246-E248 PolarHBondContact O-N 3.05Å; A246-N249 PolarHBondContact O-N 3.13Å; A246-N249 PolarHBondContact O-ND2 2.81Å; A246-N249 VanDerWaalsContact O-ND2 3.09Å
247	E	85.4	Confident	91.7	Very high	123 Å²	123	29.4 Å²	29.4	58%	0.575	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-39.3	-39.3	-172.2	-172.1	177.6	-174.2	0	0	115.7	N249 K329	E247-N249 PolarHBondContact O-N 3.35Å; E247-N249 VanDerWaalsContact O-N 3.1Å; E247-K329 VanDerWaalsContact O-CD 3.24Å; E247-K329 WeakPolarHBondContact O-CD 3.46Å; E247-K329 WeakPolarHBondContact O-CE 2.98Å; E247-K329 PolarHBondContact O-NZ 3.32Å
248	E	90.1	Very high	91.6	Very high	142 Å²	142	29.3 Å²	29.3	66%	0.664	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	3.1	-178.8	-64.6	-68	176.3	0	0	115.1	A246 K329	A246-E248 PolarHBondContact O-N 3.05Å; E248-K329 WeakPolarHBondContact O-CB 3.49Å; E248-K329 PolarHBondContact O-N 3.12Å
249	N	93.8	Very high	91.3	Very high	28 Å²	28	30.1 Å²	30.1	15%	0.15	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	155.2	-172.8	-53.1	-91.8	0	0	0	113	A245 A246 E247 N303 I326 I327 K329	A245-N249 HydrophobicContact CB-CB 4.44Å; A246-N249 PolarHBondContact O-N 3.13Å; A246-N249 PolarHBondContact O-ND2 2.81Å; A246-N249 VanDerWaalsContact O-ND2 3.09Å; E247-N249 PolarHBondContact O-N 3.35Å; E247-N249 VanDerWaalsContact O-N 3.1Å; N249-N303 VanDerWaalsContact O-CA 3.29Å; N249-N303 WeakPolarHBondContact O-CA 3.5Å; N249-N303 WeakPolarHBondContact O-CB 3.19Å; N249-N303 PolarHBondContact O-N 3.25Å; N249-I326 HydrophobicContact CB-CB 3.96Å; N249-I326 HydrophobicContact CB-CG2 4.34Å; N249-I327 CarbonylContact C-O 3.58Å; N249-I327 WeakPolarHBondContact CA-O 3.48Å; N249-K329 VanDerWaalsContact O-CE 3.26Å; N249-K329 WeakPolarHBondContact O-CE 3.28Å
250	A	94.3	Very high	91.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	169.2	159.8	0	0	0	0	0	110.6	V299 S300 G302 I326 I327 V332	A250-V299 HydrophobicContact CB-CG1 4.12Å; A250-S300 WeakPolarHBondContact CB-O 3.49Å; A250-G302 WeakPolarHBondContact CA-O 3.48Å; A250-I326 CarbonylContact O-C 3.58Å; A250-I326 VanDerWaalsContact O-CA 3.32Å; A250-I326 WeakPolarHBondContact O-CA 3.24Å; A250-I327 PolarHBondContact N-O 3.01Å; A250-I327 PolarHBondContact O-N 3.18Å; A250-V332 HydrophobicContact CB-CG2 3.73Å
251	I	95.9	Very high	90.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.5	176.1	-64.3	157.6	0	0	0	108	A217 I243 A245 V253 V299 S300 N303 M305	A217-I251 HydrophobicContact CB-CG1 4.24Å; I243-I251 HydrophobicContact CB-CD1 4.01Å; I243-I251 HydrophobicContact CB-CG2 4.49Å; I243-I251 HydrophobicContact CD1-CG2 4.48Å; I243-I251 HydrophobicContact CG2-CD1 3.77Å; I243-I251 HydrophobicContact CG2-CG1 4.26Å; I243-I251 HydrophobicContact CG2-CG2 3.98Å; I243-I251 WeakPolarHBondContact O-CD1 3.06Å; A245-I251 HydrophobicContact CB-CD1 4.3Å; A245-I251 HydrophobicContact CB-CG1 3.88Å; I251-V253 HydrophobicContact CG2-CG2 3.85Å; I251-V299 WeakPolarHBondContact O-CA 3.05Å; I251-S300 PolarHBondContact N-OG 3.34Å; I251-S300 PolarHBondContact O-N 2.87Å; I251-S300 PolarHBondContact O-OG 3Å; I251-N303 WeakPolarHBondContact CD1-O 3.37Å; I251-M305 HydrophobicContact CB-CB 4.48Å; I251-M305 HydrophobicContact CB-CE 4.32Å; I251-M305 HydrophobicContact CD1-CB 4.1Å; I251-M305 HydrophobicContact CG2-CB 4.4Å; I251-M305 HydrophobicContact CG2-CE 4.2Å; I251-M305 HydrophobicContact CG2-SD 4.39Å; I251-M305 WeakPolarHBondContact O-CE 3.48Å
252	S	95.1	Very high	89.6	Confident	14 Å²	14	34.6 Å²	34.6	10%	0.098	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	132.4	168.8	179	0	0	0	0	109.5	I298 Y324 K325 I327	S252-I298 WeakPolarHBondContact CA-O 3.05Å; S252-I298 PolarHBondContact OG-O 3.32Å; S252-Y324 VanDerWaalsContact O-CA 3.27Å; S252-Y324 WeakPolarHBondContact O-CA 2.99Å; S252-K325 PolarHBondContact N-O 3.14Å; S252-K325 PolarHBondContact O-N 3.12Å; S252-I327 VanDerWaalsContact CB-CD1 3.49Å
253	V	95.9	Very high	88.7	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	132.4	176.6	-173.2	0	0	0	0	109	I243 I251 F255 S297 I298 M305 I307 A322 Q323	I243-V253 HydrophobicContact CD1-CG2 4.04Å; I251-V253 HydrophobicContact CG2-CG2 3.85Å; V253-F255 HydrophobicContact CG1-CD2 4.29Å; V253-F255 HydrophobicContact CG1-CE2 3.74Å; V253-F255 HydrophobicContact CG1-CZ 4.19Å; V253-S297 WeakPolarHBondContact O-CA 3.33Å; V253-I298 PolarHBondContact N-O 2.88Å; V253-I298 WeakPolarHBondContact O-CD1 3.2Å; V253-I298 PolarHBondContact O-N 2.87Å; V253-M305 HydrophobicContact CB-SD 4.27Å; V253-M305 HydrophobicContact CG2-CE 4.18Å; V253-M305 HydrophobicContact CG2-SD 3.49Å; V253-M305 WeakPolarHBondContact CG2-SD 3.42Å; V253-I307 HydrophobicContact CB-CD1 4.45Å; V253-I307 HydrophobicContact CG1-CD1 4Å; V253-I307 HydrophobicContact CG2-CD1 4.14Å; V253-A322 HydrophobicContact CG1-CB 4.33Å; V253-Q323 CarbonylContact C-O 3.6Å; V253-Q323 WeakPolarHBondContact CA-O 3.42Å
254	S	93.4	Very high	88	Confident	25 Å²	25	40.7 Å²	40.7	18%	0.175	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	150.4	171.6	71.2	0	0	0	0	111.2	L296 A322 Q323	S254-L296 CarbonylContact C-O 3.59Å; S254-L296 VanDerWaalsContact CA-O 3.24Å; S254-L296 WeakPolarHBondContact CA-O 3.06Å; S254-A322 CarbonylContact O-C 3.54Å; S254-A322 WeakPolarHBondContact O-CA 3.47Å; S254-Q323 PolarHBondContact N-O 3.38Å; S254-Q323 PolarHBondContact O-N 3.27Å
255	F	92.4	Very high	87.4	Confident	1 Å²	1	42.3 Å²	42.3	0%	0.004	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	89.8	176.6	-59.4	-109.8	0	0	0	108.5	V253 I257 F258 V269 I271 S295 L296 I298 I307 F320 E321 A322	V253-F255 HydrophobicContact CG1-CD2 4.29Å; V253-F255 HydrophobicContact CG1-CE2 3.74Å; V253-F255 HydrophobicContact CG1-CZ 4.19Å; F255-I257 PolarHBondContact O-N 2.9Å; F255-F258 HydrophobicContact CB-CB 4.18Å; F255-F258 HydrophobicContact CB-CD2 4.07Å; F255-F258 AromaticContact CD1-CD2 3.72Å; F255-F258 HydrophobicContact CD1-CD2 3.72Å; F255-F258 HydrophobicContact CD1-CE2 4.25Å; F255-F258 HydrophobicContact CE1-CD2 4.32Å; F255-F258 HydrophobicContact CE1-CE2 4.41Å; F255-F258 HydrophobicContact CG-CD2 4.02Å; F255-V269 HydrophobicContact CZ-CG1 4.4Å; F255-I271 HydrophobicContact CE2-CD1 3.7Å; F255-I271 HydrophobicContact CZ-CD1 3.91Å; F255-S295 WeakPolarHBondContact O-CB 3.27Å; F255-L296 HydrophobicContact CB-CB 4.27Å; F255-L296 HydrophobicContact CD2-CB 4.25Å; F255-L296 HydrophobicContact CD2-CD2 3.8Å; F255-L296 HydrophobicContact CD2-CG 3.92Å; F255-L296 HydrophobicContact CE2-CD2 4.07Å; F255-L296 HydrophobicContact CE2-CG 4.44Å; F255-L296 HydrophobicContact CG-CD2 4.35Å; F255-L296 PolarHBondContact N-O 3Å; F255-I298 HydrophobicContact CD2-CD1 3.97Å; F255-I298 HydrophobicContact CE2-CD1 3.66Å; F255-I307 HydrophobicContact CZ-CD1 4.29Å; F255-F320 HydrophobicContact CD1-CB 4.14Å; F255-F320 AromaticContact CD1-CD2 3.75Å; F255-F320 HydrophobicContact CD1-CD2 3.75Å; F255-F320 HydrophobicContact CD1-CE2 4.38Å; F255-F320 HydrophobicContact CD1-CG 4.01Å; F255-F320 AromaticContact CE1-CD2 3.67Å; F255-F320 HydrophobicContact CE1-CD2 3.67Å; F255-F320 AromaticContact CE1-CE2 3.84Å; F255-F320 HydrophobicContact CE1-CE2 3.84Å; F255-F320 HydrophobicContact CE1-CG 4.11Å; F255-F320 HydrophobicContact CE1-CZ 4.38Å; F255-E321 WeakPolarHBondContact CA-O 3.41Å; F255-A322 HydrophobicContact CD1-CB 3.66Å; F255-A322 HydrophobicContact CE1-CB 3.62Å; F255-A322 HydrophobicContact CG-CB 4.27Å; F255-A322 HydrophobicContact CZ-CB 4.16Å
256	P	85.8	Confident	86.8	Confident	38 Å²	38	44.8 Å²	44.8	25%	0.247	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	-22.1	176.4	-22.5	36.6	0	0	0	113.3	Q323	P256-Q323 HydrophobicContact CG-CG 4.19Å
257	I	83	Confident	86.7	Confident	80 Å²	80	41.6 Å²	41.6	41%	0.41	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	116.2	171.1	-55.6	174	0	0	0	107.3	F229 F255 F320 E321	F229-I257 HydrophobicContact CE2-CG2 3.83Å; F229-I257 HydrophobicContact CZ-CB 4.33Å; F229-I257 HydrophobicContact CZ-CD1 4.01Å; F229-I257 HydrophobicContact CZ-CG2 3.93Å; F255-I257 PolarHBondContact O-N 2.9Å; I257-F320 CarbonylContact O-C 3.58Å; I257-F320 VanDerWaalsContact O-CA 3.23Å; I257-F320 WeakPolarHBondContact O-CA 3.22Å; I257-F320 VanDerWaalsContact O-CB 3.27Å; I257-F320 WeakPolarHBondContact O-CB 3.45Å; I257-E321 HydrophobicContact CB-CB 4.38Å; I257-E321 PolarHBondContact O-N 3.01Å
258	F	86.1	Confident	86.9	Confident	3 Å²	3	36.2 Å²	36.2	1%	0.013	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	112.3	177.4	-170.6	-82.7	0	0	0	108.4	F255 I260 V269 Q286 G288 Q289 R290 L296 F320	F255-F258 HydrophobicContact CB-CB 4.18Å; F255-F258 HydrophobicContact CB-CD2 4.07Å; F255-F258 AromaticContact CD1-CD2 3.72Å; F255-F258 HydrophobicContact CD1-CD2 3.72Å; F255-F258 HydrophobicContact CD1-CE2 4.25Å; F255-F258 HydrophobicContact CE1-CD2 4.32Å; F255-F258 HydrophobicContact CE1-CE2 4.41Å; F255-F258 HydrophobicContact CG-CD2 4.02Å; F258-I260 HydrophobicContact CE1-CB 4.22Å; F258-I260 HydrophobicContact CE1-CG1 3.9Å; F258-I260 HydrophobicContact CE2-CG1 4.44Å; F258-I260 HydrophobicContact CZ-CG1 3.86Å; F258-V269 HydrophobicContact CE2-CB 3.93Å; F258-V269 HydrophobicContact CE2-CG1 4.46Å; F258-V269 HydrophobicContact CE2-CG2 3.76Å; F258-V269 HydrophobicContact CZ-CB 4.02Å; F258-V269 HydrophobicContact CZ-CG2 3.95Å; F258-Q286 HydrophobicContact CE1-CB 4.32Å; F258-Q286 HydrophobicContact CZ-CB 3.86Å; F258-G288 WeakPolarHBondContact CD1-O 3.27Å; F258-G288 WeakPolarHBondContact CE1-O 3.4Å; F258-Q289 VanDerWaalsContact O-CA 3.31Å; F258-Q289 WeakPolarHBondContact O-CA 3.46Å; F258-R290 HydrophobicContact CB-CB 4.41Å; F258-R290 HydrophobicContact CD1-CG 4.46Å; F258-R290 PolarHBondContact O-N 3.21Å; F258-L296 HydrophobicContact CD2-CD2 4.37Å; F258-L296 HydrophobicContact CE2-CD2 4.24Å; F258-F320 HydrophobicContact CD2-CB 4.07Å
259	H	83.6	Confident	87.1	Confident	30 Å²	30	29.5 Å²	29.5	14%	0.139	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	89.2	179.2	-174	168	0	0	0	109.4	Q289 R317 G319	H259-Q289 HydrophobicContact CB-CB 4.3Å; H259-Q289 HydrophobicContact CB-CG 4.07Å; H259-Q289 PolarHBondContact CE1-OE1 2.73Å; H259-Q289 PolarHBondContact ND1-OE1 3.26Å; H259-R317 VanDerWaalsContact O-CB 3.3Å; H259-R317 WeakPolarHBondContact O-CB 3.45Å; H259-G319 CarbonylContact C-O 3.6Å; H259-G319 PolarHBondContact N-O 2.79Å; H259-G319 WeakPolarHBondContact O-CA 3.23Å; H259-G319 PolarHBondContact O-N 2.7Å
260	I	86.8	Confident	87.1	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.162	C	C	.	.			trans	-102.9	168.9	169.7	-60.4	-52.8	0	0	0	108.3	Y233 F258 D267 V269 C287 G288 F309 F320	Y233-I260 HydrophobicContact CD1-CD1 4.44Å; Y233-I260 HydrophobicContact CE1-CD1 3.8Å; F258-I260 HydrophobicContact CE1-CB 4.22Å; F258-I260 HydrophobicContact CE1-CG1 3.9Å; F258-I260 HydrophobicContact CE2-CG1 4.44Å; F258-I260 HydrophobicContact CZ-CG1 3.86Å; I260-D267 HydrophobicContact CG2-CB 3.43Å; I260-D267 VanDerWaalsContact CG2-CB 3.43Å; I260-D267 WeakPolarHBondContact CG2-O 3.4Å; I260-V269 HydrophobicContact CG1-CG2 4.27Å; I260-C287 HydrophobicContact CG2-CB 4.39Å; I260-G288 PolarHBondContact N-O 3.44Å; I260-G288 CarbonylContact O-C 3.51Å; I260-G288 VanDerWaalsContact O-C 3.31Å; I260-G288 VanDerWaalsContact O-CA 3.23Å; I260-G288 WeakPolarHBondContact O-CA 3.38Å; I260-F309 HydrophobicContact CD1-CD2 4.17Å; I260-F309 HydrophobicContact CD1-CE2 3.52Å; I260-F309 HydrophobicContact CD1-CZ 4.07Å; I260-F309 HydrophobicContact CG1-CE2 4.41Å; I260-F320 HydrophobicContact CD1-CD1 4.11Å
261	E	83.9	Confident	87.1	Confident	28 Å²	28	28.2 Å²	28.2	13%	0.131	16%	0.162	C	C	.	.			trans	-59.5	149.6	170.2	180	145	-130	0	0	111.5	Y233 D263 D267 C287 G288 V315 R317	Y233-E261 PolarHBondContact OH-N 2.83Å; E261-D263 VanDerWaalsContact C-N 3.33Å; E261-D263 PolarHBondContact O-N 2.91Å; E261-D267 HydrophobicContact CB-CB 4.08Å; E261-C287 WeakPolarHBondContact O-CB 3.4Å; E261-G288 WeakPolarHBondContact O-CA 3.35Å; E261-G288 PolarHBondContact O-N 2.78Å; E261-V315 VanDerWaalsContact OE1-CB 3.32Å; E261-V315 WeakPolarHBondContact OE1-CB 3.47Å; E261-V315 PolarHBondContact OE2-N 3.44Å; E261-R317 HydrophobicContact CB-CG 4.22Å
262	D	72.4	Confident	87	Confident	90 Å²	90	28.2 Å²	28.2	48%	0.481	16%	0.162	S	C	.	.	S	Bend	trans	-78.6	-9.6	-170.4	-61.6	-64.3	0	0	0	114.5	G288	D262-G288 WeakPolarHBondContact OD1-CA 3.48Å
263	D	74.1	Confident	86.9	Confident	83 Å²	83	27.9 Å²	27.9	44%	0.444	16%	0.159	S	C	.	.			trans	-99.1	110.6	169.6	-160.2	-35.2	0	0	0	111.1	E261 S265 D266 D267	E261-D263 VanDerWaalsContact C-N 3.33Å; E261-D263 PolarHBondContact O-N 2.91Å; D263-S265 PolarHBondContact O-N 3.3Å; D263-S265 VanDerWaalsContact O-N 3.08Å; D263-S265 WeakPolarHBondContact OD1-CB 3.39Å; D263-S265 PolarHBondContact OD1-N 3.44Å; D263-S265 PolarHBondContact OD1-OG 3.29Å; D263-D266 PolarHBondContact O-N 2.91Å; D263-D266 VanDerWaalsContact O-N 3.16Å; D263-D267 PolarHBondContact O-N 3.48Å
264	C	79.5	Confident	86.7	Confident	51 Å²	51	27.9 Å²	27.9	35%	0.345	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-10.1	177.8	-75.5	0	0	0	0	113.5	F268 C287	C264-F268 VanDerWaalsContact O-CD1 3.24Å; C264-F268 WeakPolarHBondContact O-CD1 3.37Å; C264-C287 WeakPolarHBondContact CA-SG 3.11Å; C264-C287 HydrophobicContact CB-CB 3.83Å; C264-C287 WeakPolarHBondContact CB-SG 3.26Å; C264-C287 PolarHBondContact N-SG 2.74Å; C264-C287 WeakPolarHBondContact SG-CB 3.44Å; C264-C287 CovalentContact SG-SG 2.03Å; C264-C287 PolarHBondContact SG-SG 2.78Å
265	S	80.3	Confident	86.5	Confident	74 Å²	74	26.8 Å²	26.8	52%	0.517	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-36.3	174.5	-46.4	0	0	0	0	111.7	R202 D263	R202-S265 PolarHBondContact NH1-O 3.25Å; R202-S265 PolarHBondContact NH2-O 2.68Å; D263-S265 PolarHBondContact O-N 3.3Å; D263-S265 VanDerWaalsContact O-N 3.08Å; D263-S265 WeakPolarHBondContact OD1-CB 3.39Å; D263-S265 PolarHBondContact OD1-N 3.44Å; D263-S265 PolarHBondContact OD1-OG 3.29Å
266	D	81.1	Confident	86.3	Confident	63 Å²	63	26.8 Å²	26.8	34%	0.337	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-65.9	-173.5	-70.9	-46.9	0	0	0	111.1	R202 D263 D312	R202-D266 PolarHBondContact NH1-O 3.43Å; D263-D266 PolarHBondContact O-N 2.91Å; D263-D266 VanDerWaalsContact O-N 3.16Å; D266-D312 HydrophobicContact CB-CB 3.95Å
267	D	87.1	Confident	86.3	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.005	14%	0.141	C	C	.	.	S	Bend	trans	-114.1	132.5	176.6	-62.6	-16.9	0	0	0	111.6	Y233 I260 E261 D263 C287 I310 A311 D312	Y233-D267 WeakPolarHBondContact CE2-OD2 3.37Å; Y233-D267 PolarHBondContact OH-OD2 3.2Å; I260-D267 HydrophobicContact CG2-CB 3.43Å; I260-D267 VanDerWaalsContact CG2-CB 3.43Å; I260-D267 WeakPolarHBondContact CG2-O 3.4Å; E261-D267 HydrophobicContact CB-CB 4.08Å; D263-D267 PolarHBondContact O-N 3.48Å; D267-C287 WeakPolarHBondContact O-CB 3.15Å; D267-I310 WeakPolarHBondContact CA-O 3.02Å; D267-A311 WeakPolarHBondContact OD1-CA 3.31Å; D267-A311 WeakPolarHBondContact OD1-CB 3.21Å; D267-D312 PolarHBondContact OD1-N 3.29Å
268	F	91.4	Very high	86.6	Confident	10 Å²	10	21.4 Å²	21.4	4%	0.044	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	160.9	176.3	65.4	-87.6	0	0	0	113.9	D200 M203 C264 V285 Q286 C287 F309 I310	D200-F268 HydrophobicContact CB-CZ 4.45Å; M203-F268 HydrophobicContact CE-CE2 3.57Å; M203-F268 HydrophobicContact CE-CZ 3.74Å; C264-F268 VanDerWaalsContact O-CD1 3.24Å; C264-F268 WeakPolarHBondContact O-CD1 3.37Å; F268-V285 HydrophobicContact CB-CG1 4.17Å; F268-V285 HydrophobicContact CD2-CG1 3.72Å; F268-V285 HydrophobicContact CE2-CG1 4.38Å; F268-V285 HydrophobicContact CG-CG1 4.13Å; F268-Q286 WeakPolarHBondContact CA-O 3.43Å; F268-C287 HydrophobicContact CB-CB 4.48Å; F268-F309 WeakPolarHBondContact O-CD2 3.48Å; F268-I310 HydrophobicContact CD1-CB 4.48Å; F268-I310 HydrophobicContact CE1-CB 4.12Å; F268-I310 HydrophobicContact CE1-CD1 4.22Å; F268-I310 HydrophobicContact CE1-CG2 4.1Å; F268-I310 HydrophobicContact CE2-CD1 4.17Å; F268-I310 HydrophobicContact CZ-CB 4.24Å; F268-I310 HydrophobicContact CZ-CD1 3.63Å; F268-I310 HydrophobicContact CZ-CG1 4.47Å; F268-I310 PolarHBondContact N-O 2.95Å; F268-I310 VanDerWaalsContact N-O 3.08Å; F268-I310 PolarHBondContact O-N 2.82Å
269	V	93.3	Very high	86.5	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	123.7	165.5	178.3	0	0	0	0	108.6	F255 F258 I260 I271 Q286 I307 N308 F309 F320	F255-V269 HydrophobicContact CZ-CG1 4.4Å; F258-V269 HydrophobicContact CE2-CB 3.93Å; F258-V269 HydrophobicContact CE2-CG1 4.46Å; F258-V269 HydrophobicContact CE2-CG2 3.76Å; F258-V269 HydrophobicContact CZ-CB 4.02Å; F258-V269 HydrophobicContact CZ-CG2 3.95Å; I260-V269 HydrophobicContact CG1-CG2 4.27Å; V269-I271 HydrophobicContact CG1-CG1 4.16Å; V269-Q286 PolarHBondContact N-O 3.48Å; V269-Q286 PolarHBondContact O-N 2.81Å; V269-I307 HydrophobicContact CG1-CG2 3.82Å; V269-N308 CarbonylContact C-O 3.58Å; V269-N308 VanDerWaalsContact CA-O 3.28Å; V269-N308 WeakPolarHBondContact CA-O 3.32Å; V269-F309 HydrophobicContact CG2-CB 4.31Å; V269-F309 HydrophobicContact CG2-CD2 3.78Å; V269-F309 HydrophobicContact CG2-CG 4.42Å; V269-F320 HydrophobicContact CG2-CD1 3.81Å; V269-F320 HydrophobicContact CG2-CE1 3.45Å; V269-F320 VanDerWaalsContact CG2-CE1 3.45Å; V269-F320 HydrophobicContact CG2-CZ 4.33Å
270	S	93.2	Very high	86.6	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.007	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	142.5	170.5	56	0	0	0	0	111	M203 F272 T284 N308	M203-S270 WeakPolarHBondContact CE-OG 3.24Å; S270-F272 VanDerWaalsContact OG-CE2 3.24Å; S270-F272 WeakPolarHBondContact OG-CE2 3.14Å; S270-F272 WeakPolarHBondContact OG-CZ 3.42Å; S270-T284 WeakPolarHBondContact CA-O 3.46Å; S270-N308 PolarHBondContact N-O 3.05Å; S270-N308 PolarHBondContact O-N 2.94Å
271	I	95.1	Very high	86.8	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	129.8	-173	-53.5	-177.8	0	0	0	108	F255 V269 I283 T284 L296 I298 M305 L306 I307	F255-I271 HydrophobicContact CE2-CD1 3.7Å; F255-I271 HydrophobicContact CZ-CD1 3.91Å; V269-I271 HydrophobicContact CG1-CG1 4.16Å; I271-I283 HydrophobicContact CG2-CB 4.5Å; I271-I283 HydrophobicContact CG2-CD1 4.37Å; I271-I283 WeakPolarHBondContact O-CA 3.46Å; I271-I283 PolarHBondContact O-N 3.45Å; I271-T284 HydrophobicContact CB-CG2 4.34Å; I271-T284 HydrophobicContact CD1-CG2 4.2Å; I271-T284 HydrophobicContact CG1-CG2 4.41Å; I271-T284 PolarHBondContact N-O 2.6Å; I271-T284 PolarHBondContact O-N 3.43Å; I271-L296 HydrophobicContact CD1-CD2 4.45Å; I271-I298 HydrophobicContact CD1-CD1 3.52Å; I271-I298 HydrophobicContact CD1-CG1 4.01Å; I271-M305 HydrophobicContact CG2-CG 4Å; I271-M305 HydrophobicContact CG2-SD 3.78Å; I271-L306 CarbonylContact C-O 3.58Å; I271-L306 WeakPolarHBondContact CA-O 3.28Å; I271-I307 HydrophobicContact CG1-CG1 4.18Å; I271-I307 HydrophobicContact CG1-CG2 4.45Å; I271-I307 HydrophobicContact CG2-CG1 4.1Å
272	F	94.3	Very high	87.2	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	151.5	-174.6	-46.3	-104.7	0	0	0	111.7	M203 S270 S274 P277 D278 Q281 A282 M305 L306 N308	M203-F272 HydrophobicContact CE-CZ 4.31Å; M203-F272 HydrophobicContact SD-CZ 4.18Å; S270-F272 VanDerWaalsContact OG-CE2 3.24Å; S270-F272 WeakPolarHBondContact OG-CE2 3.14Å; S270-F272 WeakPolarHBondContact OG-CZ 3.42Å; F272-S274 WeakPolarHBondContact CB-OG 3.49Å; F272-S274 PolarHBondContact O-N 3.21Å; F272-P277 HydrophobicContact CE1-CB 3.97Å; F272-P277 HydrophobicContact CE2-CB 3.86Å; F272-P277 HydrophobicContact CZ-CB 3.52Å; F272-D278 WeakPolarHBondContact CD1-O 3.35Å; F272-Q281 CarbonylContact C-O 3.53Å; F272-Q281 VanDerWaalsContact CA-O 3.27Å; F272-Q281 WeakPolarHBondContact CA-O 3.27Å; F272-A282 HydrophobicContact CD1-CB 3.72Å; F272-A282 HydrophobicContact CE1-CB 3.86Å; F272-M305 WeakPolarHBondContact O-CA 3.42Å; F272-M305 WeakPolarHBondContact O-CG 3.45Å; F272-L306 HydrophobicContact CB-CB 4.26Å; F272-L306 HydrophobicContact CD2-CB 4.23Å; F272-L306 HydrophobicContact CD2-CD2 4Å; F272-L306 HydrophobicContact CD2-CG 4.29Å; F272-L306 HydrophobicContact CE2-CD2 4.42Å; F272-L306 PolarHBondContact N-O 2.8Å; F272-L306 PolarHBondContact O-N 2.88Å; F272-N308 HydrophobicContact CE2-CB 4.46Å
273	D	92.9	Very high	88.2	Confident	7 Å²	7	19.2 Å²	19.2	4%	0.037	12%	0.115	C	C	.	.	S	Bend	trans	-85.5	13	174.5	-144.2	-13.1	0	0	0	112.3	Q281 I283 S300 S301 G302 I304 P357	D273-Q281 PolarHBondContact N-O 3.11Å; D273-I283 HydrophobicContact CB-CD1 3.89Å; D273-I283 HydrophobicContact CB-CG1 3.96Å; D273-S300 WeakPolarHBondContact OD1-CB 3.47Å; D273-S301 PolarHBondContact OD1-N 2.84Å; D273-S301 WeakPolarHBondContact OD2-CA 3.42Å; D273-S301 WeakPolarHBondContact OD2-CB 3.35Å; D273-S301 PolarHBondContact OD2-N 3.04Å; D273-S301 PolarHBondContact OD2-OG 2.88Å; D273-G302 PolarHBondContact OD1-N 2.89Å; D273-I304 WeakPolarHBondContact O-CD1 3.07Å; D273-I304 WeakPolarHBondContact O-CG1 3.36Å; D273-P357 WeakPolarHBondContact OD2-CG 3.42Å
274	S	91.4	Very high	89	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	-122.6	179.6	-174.2	55.6	0	0	0	0	110.8	F272 S276 L306	F272-S274 WeakPolarHBondContact CB-OG 3.49Å; F272-S274 PolarHBondContact O-N 3.21Å; S274-S276 PolarHBondContact OG-O 3.01Å; S274-L306 WeakPolarHBondContact O-CB 3.46Å; S274-L306 PolarHBondContact O-N 2.85Å
275	L	88.9	Confident	89.5	Confident	1 Å²	1	15.3 Å²	15.3	1%	0.005	9%	0.092	C	C	.	.	S	Bend	trans	-109.5	0.9	177.7	-68.5	175.6	0	0	0	114.5	A138 Y146 Q242 R244 I304	A138-L275 HydrophobicContact CB-CB 3.63Å; A138-L275 HydrophobicContact CB-CD1 3.95Å; A138-L275 HydrophobicContact CB-CG 4.46Å; Y146-L275 HydrophobicContact CD2-CB 3.9Å; Y146-L275 HydrophobicContact CE2-CB 4.03Å; Y146-L275 HydrophobicContact CE2-CD1 4.16Å; Y146-L275 HydrophobicContact CE2-CG 4.3Å; Y146-L275 HydrophobicContact CG-CB 4.27Å; Q242-L275 HydrophobicContact CB-CD2 4.49Å; Q242-L275 HydrophobicContact CG-CD2 4.43Å; Q242-L275 PolarHBondContact NE2-O 3.28Å; R244-L275 VanDerWaalsContact NH2-CD1 3.3Å; L275-I304 HydrophobicContact CD1-CG2 4.01Å; L275-I304 HydrophobicContact CD2-CB 3.97Å; L275-I304 HydrophobicContact CD2-CG2 4.12Å; L275-I304 HydrophobicContact CG-CB 4.08Å; L275-I304 HydrophobicContact CG-CD1 4.15Å; L275-I304 HydrophobicContact CG-CG2 4.09Å
276	S	87.4	Confident	89.9	Confident	1 Å²	1	13.5 Å²	13.5	1%	0.007	8%	0.076	C	C	.	.	S	Bend	trans	-128.8	158.9	169.6	-156.9	0	0	0	0	107.3	T137 Y147 S274 D278 L306	T137-S276 VanDerWaalsContact OG1-CB 3.24Å; T137-S276 WeakPolarHBondContact OG1-CB 3.37Å; T137-S276 PolarHBondContact OG1-OG 2.83Å; T137-S276 VanDerWaalsContact OG1-OG 3.05Å; Y147-S276 PolarHBondContact O-OG 3.08Å; S274-S276 PolarHBondContact OG-O 3.01Å; S276-D278 PolarHBondContact O-N 2.8Å; S276-L306 VanDerWaalsContact C-CD2 3.43Å
277	P	87.1	Confident	90.2	Very high	6 Å²	6	11.6 Å²	11.6	4%	0.039	7%	0.067	C	C	.	.			trans	-78.5	65.2	-176.6	13.3	0.4	0	0	0	112.1	S84 T199 M203 F272 L306	S84-P277 WeakPolarHBondContact CB-O 3.44Å; S84-P277 PolarHBondContact OG-O 3.18Å; T199-P277 HydrophobicContact CG2-CB 3.92Å; T199-P277 HydrophobicContact CG2-CG 4.29Å; T199-P277 VanDerWaalsContact CG2-O 3.29Å; T199-P277 WeakPolarHBondContact CG2-O 3.5Å; T199-P277 PolarHBondContact OG1-O 2.77Å; T199-P277 VanDerWaalsContact OG1-O 3.08Å; M203-P277 HydrophobicContact CB-CG 3.89Å; M203-P277 HydrophobicContact CG-CG 4.35Å; M203-P277 HydrophobicContact SD-CB 3.31Å; M203-P277 WeakPolarHBondContact SD-CB 3.32Å; M203-P277 HydrophobicContact SD-CG 3.75Å; F272-P277 HydrophobicContact CE1-CB 3.97Å; F272-P277 HydrophobicContact CE2-CB 3.86Å; F272-P277 HydrophobicContact CZ-CB 3.52Å; P277-L306 HydrophobicContact CB-CD2 4.29Å; P277-L306 HydrophobicContact CG-CD2 4.36Å
278	D	88.1	Confident	90	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.069	C	C	.	.			trans	-82.2	106.9	174.2	-179.1	1.8	0	0	0	108.9	H86 T195 S197 F272 S276 S280 Q281 A282	H86-D278 IonicContact CE1-OD2 2.88Å; H86-D278 IonicContact ND1-OD2 2.73Å; H86-D278 PolarHBondContact ND1-OD2 2.85Å; T195-D278 PolarHBondContact OG1-OD2 2.95Å; S197-D278 PolarHBondContact OG-OD1 2.79Å; F272-D278 WeakPolarHBondContact CD1-O 3.35Å; S276-D278 PolarHBondContact O-N 2.8Å; D278-S280 PolarHBondContact O-N 3.32Å; D278-S280 WeakPolarHBondContact OD1-CB 3.45Å; D278-S280 PolarHBondContact OD1-N 3.31Å; D278-S280 VanDerWaalsContact OD1-N 3.17Å; D278-S280 PolarHBondContact OD1-OG 2.89Å; D278-S280 PolarHBondContact OD2-OG 3.27Å; D278-S280 VanDerWaalsContact OD2-OG 3.13Å; D278-Q281 CarbonylContact O-C 3.54Å; D278-Q281 WeakPolarHBondContact O-CA 3.28Å; D278-Q281 PolarHBondContact O-N 3.14Å; D278-Q281 PolarHBondContact OD2-NE2 2.88Å; D278-A282 PolarHBondContact O-N 3.43Å
279	D	85.1	Confident	89.1	Confident	40 Å²	40	13.8 Å²	13.8	21%	0.214	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-63.7	-19.6	-178	-98.3	63.4	0	0	0	112.8	S197 Q281 A282 Y430	S197-D279 PolarHBondContact OG-N 2.86Å; D279-Q281 PolarHBondContact O-N 2.04Å; D279-A282 WeakPolarHBondContact O-CB 3.48Å; D279-A282 PolarHBondContact O-N 3.09Å; D279-Y430 PolarHBondContact OD2-OH 3.36Å; D279-Y430 VanDerWaalsContact OD2-OH 3.05Å
280	S	85.4	Confident	87.8	Confident	42 Å²	42	15.8 Å²	15.8	29%	0.294	9%	0.086	S	C	.	.	G	3₁₀ helix	trans	-68.1	-12.5	168.9	72.9	0	0	0	0	113.8	D278 S429	D278-S280 PolarHBondContact O-N 3.32Å; D278-S280 WeakPolarHBondContact OD1-CB 3.45Å; D278-S280 PolarHBondContact OD1-N 3.31Å; D278-S280 VanDerWaalsContact OD1-N 3.17Å; D278-S280 PolarHBondContact OD1-OG 2.89Å; D278-S280 PolarHBondContact OD2-OG 3.27Å; D278-S280 VanDerWaalsContact OD2-OG 3.13Å; S280-S429 WeakPolarHBondContact O-CB 3.27Å
281	Q	90.6	Very high	86.1	Confident	22 Å²	22	16.2 Å²	16.2	10%	0.103	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-123.2	17.9	172.7	-70.9	165.8	95.6	0	0	111.8	H86 F272 D273 D278 D279 I283	H86-Q281 PolarHBondContact CE1-NE2 3.05Å; H86-Q281 VanDerWaalsContact CE1-NE2 3.34Å; H86-Q281 PolarHBondContact ND1-NE2 3.14Å; F272-Q281 CarbonylContact C-O 3.53Å; F272-Q281 VanDerWaalsContact CA-O 3.27Å; F272-Q281 WeakPolarHBondContact CA-O 3.27Å; D273-Q281 PolarHBondContact N-O 3.11Å; D278-Q281 CarbonylContact O-C 3.54Å; D278-Q281 WeakPolarHBondContact O-CA 3.28Å; D278-Q281 PolarHBondContact O-N 3.14Å; D278-Q281 PolarHBondContact OD2-NE2 2.88Å; D279-Q281 PolarHBondContact O-N 2.04Å; Q281-I283 PolarHBondContact O-N 2.89Å
282	A	91.8	Very high	84.3	Confident	1 Å²	1	21 Å²	21	1%	0.008	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	117.8	173.2	0	0	0	0	0	109.9	F272 D278 D279 S429 Y430	F272-A282 HydrophobicContact CD1-CB 3.72Å; F272-A282 HydrophobicContact CE1-CB 3.86Å; D278-A282 PolarHBondContact O-N 3.43Å; D279-A282 WeakPolarHBondContact O-CB 3.48Å; D279-A282 PolarHBondContact O-N 3.09Å; A282-S429 CarbonylContact O-C 3.47Å; A282-Y430 HydrophobicContact CB-CE2 3.96Å; A282-Y430 WeakPolarHBondContact O-CA 3.29Å; A282-Y430 PolarHBondContact O-N 3.24Å
283	I	93.1	Very high	82.4	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-42.4	177	-51.6	179.2	0	0	0	110.2	I271 D273 Q281 I298 M305 P357 T431	I271-I283 HydrophobicContact CG2-CB 4.5Å; I271-I283 HydrophobicContact CG2-CD1 4.37Å; I271-I283 WeakPolarHBondContact O-CA 3.46Å; I271-I283 PolarHBondContact O-N 3.45Å; D273-I283 HydrophobicContact CB-CD1 3.89Å; D273-I283 HydrophobicContact CB-CG1 3.96Å; Q281-I283 PolarHBondContact O-N 2.89Å; I283-I298 HydrophobicContact CB-CG2 4.34Å; I283-I298 HydrophobicContact CD1-CG2 4.34Å; I283-I298 HydrophobicContact CG2-CG2 3.45Å; I283-I298 VanDerWaalsContact CG2-CG2 3.45Å; I283-M305 HydrophobicContact CD1-CE 4.38Å; I283-P357 HydrophobicContact CD1-CG 4.4Å; I283-P357 HydrophobicContact CG1-CG 4.02Å; I283-P357 HydrophobicContact CG2-CG 4.33Å; I283-T431 HydrophobicContact CG2-CG2 4.06Å; I283-T431 WeakPolarHBondContact CG2-OG1 3.47Å; I283-T431 PolarHBondContact O-N 2.93Å; I283-T431 PolarHBondContact O-OG1 3.07Å
284	T	91.4	Very high	81.1	Confident	7 Å²	7	27.5 Å²	27.5	4%	0.043	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	155.4	174.2	-159	0	0	0	0	113.3	S270 I271 Q286 F354	S270-T284 WeakPolarHBondContact CA-O 3.46Å; I271-T284 HydrophobicContact CB-CG2 4.34Å; I271-T284 HydrophobicContact CD1-CG2 4.2Å; I271-T284 HydrophobicContact CG1-CG2 4.41Å; I271-T284 PolarHBondContact N-O 2.6Å; I271-T284 PolarHBondContact O-N 3.43Å; T284-Q286 HydrophobicContact CG2-CG 3.82Å; T284-Q286 PolarHBondContact OG1-NE2 2.85Å; T284-F354 HydrophobicContact CG2-CE2 4.35Å
285	V	90.5	Very high	80.4	Confident	44 Å²	44	29.5 Å²	29.5	27%	0.267	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.9	167.1	-176.8	0	0	0	0	108.3	F268 Y430	F268-V285 HydrophobicContact CB-CG1 4.17Å; F268-V285 HydrophobicContact CD2-CG1 3.72Å; F268-V285 HydrophobicContact CE2-CG1 4.38Å; F268-V285 HydrophobicContact CG-CG1 4.13Å; V285-Y430 HydrophobicContact CG2-CE1 4.36Å
286	Q	89.2	Confident	80.2	Confident	37 Å²	37	29.5 Å²	29.5	17%	0.173	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	141.7	-171.2	-64.5	-61.1	-36	0	0	113	F258 F268 V269 T284 L296	F258-Q286 HydrophobicContact CE1-CB 4.32Å; F258-Q286 HydrophobicContact CZ-CB 3.86Å; F268-Q286 WeakPolarHBondContact CA-O 3.43Å; V269-Q286 PolarHBondContact N-O 3.48Å; V269-Q286 PolarHBondContact O-N 2.81Å; T284-Q286 HydrophobicContact CG2-CG 3.82Å; T284-Q286 PolarHBondContact OG1-NE2 2.85Å; Q286-L296 HydrophobicContact CB-CD2 4.25Å; Q286-L296 HydrophobicContact CG-CD1 4.42Å; Q286-L296 HydrophobicContact CG-CD2 3.96Å
287	C	87.4	Confident	80.4	Confident	23 Å²	23	30.5 Å²	30.5	16%	0.155	18%	0.179	C	C	.	.			trans	-142.8	-175.8	177.4	62.9	0	0	0	0	110	I260 E261 C264 D267 F268	I260-C287 HydrophobicContact CG2-CB 4.39Å; E261-C287 WeakPolarHBondContact O-CB 3.4Å; C264-C287 WeakPolarHBondContact CA-SG 3.11Å; C264-C287 HydrophobicContact CB-CB 3.83Å; C264-C287 WeakPolarHBondContact CB-SG 3.26Å; C264-C287 PolarHBondContact N-SG 2.74Å; C264-C287 WeakPolarHBondContact SG-CB 3.44Å; C264-C287 CovalentContact SG-SG 2.03Å; C264-C287 PolarHBondContact SG-SG 2.78Å; D267-C287 WeakPolarHBondContact O-CB 3.15Å; F268-C287 HydrophobicContact CB-CB 4.48Å
288	G	82.4	Confident	80.7	Confident	4 Å²	4	30.2 Å²	30.2	4%	0.041	18%	0.177	C	C	.	.	S	Bend	trans	69.2	-164.4	-180	0	0	0	0	0	114.8	F258 I260 E261 D262	F258-G288 WeakPolarHBondContact CD1-O 3.27Å; F258-G288 WeakPolarHBondContact CE1-O 3.4Å; I260-G288 PolarHBondContact N-O 3.44Å; I260-G288 CarbonylContact O-C 3.51Å; I260-G288 VanDerWaalsContact O-C 3.31Å; I260-G288 VanDerWaalsContact O-CA 3.23Å; I260-G288 WeakPolarHBondContact O-CA 3.38Å; E261-G288 WeakPolarHBondContact O-CA 3.35Å; E261-G288 PolarHBondContact O-N 2.78Å; D262-G288 WeakPolarHBondContact OD1-CA 3.48Å
289	Q	72.2	Confident	81	Confident	53 Å²	53	30.2 Å²	30.2	25%	0.248	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	130.4	177.4	-174.9	175	-24.1	0	0	113.8	F258 H259 N715	F258-Q289 VanDerWaalsContact O-CA 3.31Å; F258-Q289 WeakPolarHBondContact O-CA 3.46Å; H259-Q289 HydrophobicContact CB-CB 4.3Å; H259-Q289 HydrophobicContact CB-CG 4.07Å; H259-Q289 PolarHBondContact CE1-OE1 2.73Å; H259-Q289 PolarHBondContact ND1-OE1 3.26Å; Q289-N715 PolarHBondContact OE1-ND2 2.96Å; Q289-N715 VanDerWaalsContact OE1-ND2 3.08Å; Q289-N715 PolarHBondContact OE1-OD1 3.4Å
290	R	66.8	Low	81.4	Confident	41 Å²	41	28.3 Å²	28.3	16%	0.155	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	141.5	172.7	-68.3	179.7	168.1	-133.3	3.8	112	F258	F258-R290 HydrophobicContact CB-CB 4.41Å; F258-R290 HydrophobicContact CD1-CG 4.46Å; F258-R290 PolarHBondContact O-N 3.21Å
291	P	56.6	Low	81.7	Confident	11 Å²	11	27.7 Å²	27.7	7%	0.071	16%	0.163	C	C	.	.			trans	-81.1	150	177.5	33	-32.2	0	0	0	111.1	T293 N294 S295 Y602	P291-T293 PolarHBondContact O-N 3.29Å; P291-T293 VanDerWaalsContact O-N 3.09Å; P291-N294 HydrophobicContact CG-CB 4.02Å; P291-N294 CarbonylContact O-C 3.57Å; P291-N294 WeakPolarHBondContact O-CA 3.47Å; P291-N294 PolarHBondContact O-N 2.78Å; P291-S295 PolarHBondContact O-N 2.75Å; P291-Y602 HydrophobicContact CG-CE1 4.35Å
292	P	58.3	Low	81.7	Confident	102 Å²	102	27.2 Å²	27.2	66%	0.662	16%	0.164	S	C	*	.	G	3₁₀ helix	trans	-60.2	-23.2	-177.5	-26.9	35.9	0	0	0	115.3	N294	P292-N294 PolarHBondContact O-N 2.9Å
293	T	54.8	Low	81.7	Confident	98 Å²	98	27.8 Å²	27.8	60%	0.601	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-73.1	-12.1	173.7	49.4	0	0	0	0	113.8	P291 V615	P291-T293 PolarHBondContact O-N 3.29Å; P291-T293 VanDerWaalsContact O-N 3.09Å; T293-V615 HydrophobicContact CG2-CG2 4.02Å
294	N	65.3	Low	81.7	Confident	45 Å²	45	28.5 Å²	28.5	24%	0.241	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-138.3	52.6	179	-176.3	21	0	0	0	109.2	P291 P292 K433	P291-N294 HydrophobicContact CG-CB 4.02Å; P291-N294 CarbonylContact O-C 3.57Å; P291-N294 WeakPolarHBondContact O-CA 3.47Å; P291-N294 PolarHBondContact O-N 2.78Å; P292-N294 PolarHBondContact O-N 2.9Å; N294-K433 WeakPolarHBondContact OD1-CE 3.45Å; N294-K433 PolarHBondContact OD1-NZ 3.24Å
295	S	76.1	Confident	81.9	Confident	42 Å²	42	28.1 Å²	28.1	29%	0.294	17%	0.168	S	C	.	.			trans	-56.9	140	175.5	54.7	0	0	0	0	110.8	F255 P291 S297	F255-S295 WeakPolarHBondContact O-CB 3.27Å; P291-S295 PolarHBondContact O-N 2.75Å; S295-S297 PolarHBondContact O-N 3.39Å
296	L	84.9	Confident	82.1	Confident	0 Å²	0	26 Å²	26	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	118.8	170	170.7	60.9	0	0	0	107.9	S254 F255 F258 I271 Q286 I298 F354	S254-L296 CarbonylContact C-O 3.59Å; S254-L296 VanDerWaalsContact CA-O 3.24Å; S254-L296 WeakPolarHBondContact CA-O 3.06Å; F255-L296 HydrophobicContact CB-CB 4.27Å; F255-L296 HydrophobicContact CD2-CB 4.25Å; F255-L296 HydrophobicContact CD2-CD2 3.8Å; F255-L296 HydrophobicContact CD2-CG 3.92Å; F255-L296 HydrophobicContact CE2-CD2 4.07Å; F255-L296 HydrophobicContact CE2-CG 4.44Å; F255-L296 HydrophobicContact CG-CD2 4.35Å; F255-L296 PolarHBondContact N-O 3Å; F258-L296 HydrophobicContact CD2-CD2 4.37Å; F258-L296 HydrophobicContact CE2-CD2 4.24Å; I271-L296 HydrophobicContact CD1-CD2 4.45Å; Q286-L296 HydrophobicContact CB-CD2 4.25Å; Q286-L296 HydrophobicContact CG-CD1 4.42Å; Q286-L296 HydrophobicContact CG-CD2 3.96Å; L296-I298 HydrophobicContact CD1-CD1 3.85Å; L296-I298 HydrophobicContact CD1-CG1 3.91Å; L296-I298 HydrophobicContact CD2-CD1 4.14Å; L296-I298 HydrophobicContact CG-CD1 3.6Å; L296-I298 HydrophobicContact CG-CG1 4.24Å; L296-F354 HydrophobicContact CD1-CE1 4.43Å; L296-F354 HydrophobicContact CD1-CE2 4.35Å; L296-F354 HydrophobicContact CD1-CZ 4.24Å
297	S	91.1	Very high	82.4	Confident	22 Å²	22	24.3 Å²	24.3	15%	0.154	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	124.5	177.9	-58.4	0	0	0	0	109.1	V253 S295 F354	V253-S297 WeakPolarHBondContact O-CA 3.33Å; S295-S297 PolarHBondContact O-N 3.39Å; S297-F354 PolarHBondContact O-N 3.25Å
298	I	93.9	Very high	82.7	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	152.5	-173.7	-41	90	0	0	0	109.2	S252 V253 F255 I271 I283 L296	S252-I298 WeakPolarHBondContact CA-O 3.05Å; S252-I298 PolarHBondContact OG-O 3.32Å; V253-I298 PolarHBondContact N-O 2.88Å; V253-I298 WeakPolarHBondContact O-CD1 3.2Å; V253-I298 PolarHBondContact O-N 2.87Å; F255-I298 HydrophobicContact CD2-CD1 3.97Å; F255-I298 HydrophobicContact CE2-CD1 3.66Å; I271-I298 HydrophobicContact CD1-CD1 3.52Å; I271-I298 HydrophobicContact CD1-CG1 4.01Å; I283-I298 HydrophobicContact CB-CG2 4.34Å; I283-I298 HydrophobicContact CD1-CG2 4.34Å; I283-I298 HydrophobicContact CG2-CG2 3.45Å; I283-I298 VanDerWaalsContact CG2-CG2 3.45Å; L296-I298 HydrophobicContact CD1-CD1 3.85Å; L296-I298 HydrophobicContact CD1-CG1 3.91Å; L296-I298 HydrophobicContact CD2-CD1 4.14Å; L296-I298 HydrophobicContact CG-CD1 3.6Å; L296-I298 HydrophobicContact CG-CG1 4.24Å
299	V	93.4	Very high	83.2	Confident	0 Å²	0	23 Å²	23	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	130.7	169.8	-170.2	0	0	0	0	108.7	A250 I251 I327 V332 L350	A250-V299 HydrophobicContact CB-CG1 4.12Å; I251-V299 WeakPolarHBondContact O-CA 3.05Å; V299-I327 HydrophobicContact CG2-CD1 4.31Å; V299-V332 HydrophobicContact CG1-CG2 4.18Å; V299-L350 HydrophobicContact CB-CD1 4.06Å; V299-L350 HydrophobicContact CG1-CD1 3.89Å; V299-L350 HydrophobicContact CG2-CD1 3.75Å
300	S	94.4	Very high	84.1	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.127	C	C	.	.			trans	-69.9	158.8	173.4	51.7	0	0	0	0	111.6	A250 I251 D273 G302	A250-S300 WeakPolarHBondContact CB-O 3.49Å; I251-S300 PolarHBondContact N-OG 3.34Å; I251-S300 PolarHBondContact O-N 2.87Å; I251-S300 PolarHBondContact O-OG 3Å; D273-S300 WeakPolarHBondContact OD1-CB 3.47Å; S300-G302 WeakPolarHBondContact CB-O 2.97Å; S300-G302 PolarHBondContact OG-O 2.93Å
301	S	91.8	Very high	85.1	Confident	29 Å²	29	19 Å²	19	20%	0.203	12%	0.122	C	C	.	.	S	Bend	trans	-75.6	-33.8	165.5	76.1	0	0	0	0	110.8	D273 P357 R359	D273-S301 PolarHBondContact OD1-N 2.84Å; D273-S301 WeakPolarHBondContact OD2-CA 3.42Å; D273-S301 WeakPolarHBondContact OD2-CB 3.35Å; D273-S301 PolarHBondContact OD2-N 3.04Å; D273-S301 PolarHBondContact OD2-OG 2.88Å; S301-P357 WeakPolarHBondContact CB-O 3.22Å; S301-R359 PolarHBondContact O-NH2 3.01Å
302	G	91.4	Very high	86.4	Confident	12 Å²	12	19.7 Å²	19.7	12%	0.124	13%	0.125	C	C	.	.	S	Bend	trans	-108.2	-179.7	-176.5	0	0	0	0	0	115.4	A250 D273 S300 I304	A250-G302 WeakPolarHBondContact CA-O 3.48Å; D273-G302 PolarHBondContact OD1-N 2.89Å; S300-G302 WeakPolarHBondContact CB-O 2.97Å; S300-G302 PolarHBondContact OG-O 2.93Å; G302-I304 PolarHBondContact O-N 2.85Å
303	N	91.8	Very high	87.2	Confident	14 Å²	14	19.2 Å²	19.2	8%	0.075	12%	0.121	C	C	.	.	S	Bend	trans	-84.1	18.6	175.2	49.7	-64.3	0	0	0	113.3	E141 R244 A245 N249 I251 K329	E141-N303 VanDerWaalsContact CD-ND2 3.29Å; E141-N303 PolarHBondContact OE1-ND2 2.86Å; E141-N303 PolarHBondContact OE2-ND2 2.82Å; E141-N303 PolarHBondContact OE2-OD1 2.96Å; R244-N303 CarbonylContact C-O 3.56Å; R244-N303 WeakPolarHBondContact CA-O 3.35Å; A245-N303 HydrophobicContact CB-CB 4.11Å; A245-N303 PolarHBondContact N-O 2.93Å; A245-N303 WeakPolarHBondContact O-CB 3.48Å; A245-N303 PolarHBondContact O-ND2 2.98Å; N249-N303 VanDerWaalsContact O-CA 3.29Å; N249-N303 WeakPolarHBondContact O-CA 3.5Å; N249-N303 WeakPolarHBondContact O-CB 3.19Å; N249-N303 PolarHBondContact O-N 3.25Å; I251-N303 WeakPolarHBondContact CD1-O 3.37Å; N303-K329 PolarHBondContact OD1-NZ 2.03Å
304	I	93.1	Very high	87.8	Confident	14 Å²	14	16.9 Å²	16.9	7%	0.072	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	149.8	177.4	54.4	171.8	0	0	0	109.2	Y146 I243 R244 D273 L275 G302	Y146-I304 WeakPolarHBondContact OH-CD1 3.34Å; I243-I304 WeakPolarHBondContact O-CA 3.45Å; R244-I304 HydrophobicContact CG-CG2 4.49Å; D273-I304 WeakPolarHBondContact O-CD1 3.07Å; D273-I304 WeakPolarHBondContact O-CG1 3.36Å; L275-I304 HydrophobicContact CD1-CG2 4.01Å; L275-I304 HydrophobicContact CD2-CB 3.97Å; L275-I304 HydrophobicContact CD2-CG2 4.12Å; L275-I304 HydrophobicContact CG-CB 4.08Å; L275-I304 HydrophobicContact CG-CD1 4.15Å; L275-I304 HydrophobicContact CG-CG2 4.09Å; G302-I304 PolarHBondContact O-N 2.85Å
305	M	95.1	Very high	88	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	136.1	169.2	-171.7	-179	-71.9	0	0	109.5	I243 I251 V253 I271 F272 I283 I307	I243-M305 HydrophobicContact CB-CB 4.47Å; I243-M305 PolarHBondContact N-O 2.83Å; I243-M305 PolarHBondContact O-N 2.99Å; I251-M305 HydrophobicContact CB-CB 4.48Å; I251-M305 HydrophobicContact CB-CE 4.32Å; I251-M305 HydrophobicContact CD1-CB 4.1Å; I251-M305 HydrophobicContact CG2-CB 4.4Å; I251-M305 HydrophobicContact CG2-CE 4.2Å; I251-M305 HydrophobicContact CG2-SD 4.39Å; I251-M305 WeakPolarHBondContact O-CE 3.48Å; V253-M305 HydrophobicContact CB-SD 4.27Å; V253-M305 HydrophobicContact CG2-CE 4.18Å; V253-M305 HydrophobicContact CG2-SD 3.49Å; V253-M305 WeakPolarHBondContact CG2-SD 3.42Å; I271-M305 HydrophobicContact CG2-CG 4Å; I271-M305 HydrophobicContact CG2-SD 3.78Å; F272-M305 WeakPolarHBondContact O-CA 3.42Å; F272-M305 WeakPolarHBondContact O-CG 3.45Å; I283-M305 HydrophobicContact CD1-CE 4.38Å; M305-I307 HydrophobicContact CG-CG1 4.35Å; M305-I307 HydrophobicContact SD-CD1 4.1Å; M305-I307 HydrophobicContact SD-CG1 4.25Å
306	L	94.4	Very high	88.2	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	131.1	169.9	-174.4	72.5	0	0	0	109.5	Q240 Q242 I271 F272 S274 S276 P277	Q240-L306 HydrophobicContact CG-CD1 3.62Å; Q242-L306 HydrophobicContact CG-CD1 3.6Å; I271-L306 CarbonylContact C-O 3.58Å; I271-L306 WeakPolarHBondContact CA-O 3.28Å; F272-L306 HydrophobicContact CB-CB 4.26Å; F272-L306 HydrophobicContact CD2-CB 4.23Å; F272-L306 HydrophobicContact CD2-CD2 4Å; F272-L306 HydrophobicContact CD2-CG 4.29Å; F272-L306 HydrophobicContact CE2-CD2 4.42Å; F272-L306 PolarHBondContact N-O 2.8Å; F272-L306 PolarHBondContact O-N 2.88Å; S274-L306 WeakPolarHBondContact O-CB 3.46Å; S274-L306 PolarHBondContact O-N 2.85Å; S276-L306 VanDerWaalsContact C-CD2 3.43Å; P277-L306 HydrophobicContact CB-CD2 4.29Å; P277-L306 HydrophobicContact CG-CD2 4.36Å
307	I	95.8	Very high	88.1	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	122.9	169.4	-61.4	172.9	0	0	0	107.6	F224 Q240 W241 I243 V253 F255 V269 I271 M305	F224-I307 HydrophobicContact CZ-CD1 3.8Å; Q240-I307 WeakPolarHBondContact CA-O 3.34Å; W241-I307 HydrophobicContact CB-CB 4.41Å; W241-I307 HydrophobicContact CE3-CB 4.37Å; W241-I307 HydrophobicContact CE3-CG2 4.03Å; W241-I307 PolarHBondContact N-O 2.88Å; W241-I307 PolarHBondContact O-N 2.85Å; I243-I307 HydrophobicContact CD1-CD1 4.1Å; V253-I307 HydrophobicContact CB-CD1 4.45Å; V253-I307 HydrophobicContact CG1-CD1 4Å; V253-I307 HydrophobicContact CG2-CD1 4.14Å; F255-I307 HydrophobicContact CZ-CD1 4.29Å; V269-I307 HydrophobicContact CG1-CG2 3.82Å; I271-I307 HydrophobicContact CG1-CG1 4.18Å; I271-I307 HydrophobicContact CG1-CG2 4.45Å; I271-I307 HydrophobicContact CG2-CG1 4.1Å; M305-I307 HydrophobicContact CG-CG1 4.35Å; M305-I307 HydrophobicContact SD-CD1 4.1Å; M305-I307 HydrophobicContact SD-CG1 4.25Å
308	N	93.6	Very high	87.8	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	138.6	173.6	-72.3	-19	0	0	0	109.3	Y238 C239 Q240 V269 S270 F272	Y238-N308 HydrophobicContact CE2-CB 4.25Å; C239-N308 CarbonylContact O-C 3.58Å; C239-N308 WeakPolarHBondContact O-CA 3.34Å; Q240-N308 WeakPolarHBondContact CG-OD1 3.31Å; Q240-N308 PolarHBondContact NE2-OD1 2.89Å; V269-N308 CarbonylContact C-O 3.58Å; V269-N308 VanDerWaalsContact CA-O 3.28Å; V269-N308 WeakPolarHBondContact CA-O 3.32Å; S270-N308 PolarHBondContact N-O 3.05Å; S270-N308 PolarHBondContact O-N 2.94Å; F272-N308 HydrophobicContact CE2-CB 4.46Å
309	F	93.5	Very high	87.6	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.4	166.6	170.9	-122	0	0	0	109	Y233 Y238 C239 W241 I260 F268 V269 A311 F320	Y233-F309 HydrophobicContact CD1-CE1 4.13Å; Y233-F309 AromaticContact CD1-CZ 3.64Å; Y233-F309 HydrophobicContact CD1-CZ 3.64Å; Y233-F309 HydrophobicContact CD2-CE1 4.2Å; Y233-F309 AromaticContact CD2-CZ 3.71Å; Y233-F309 HydrophobicContact CD2-CZ 3.71Å; Y233-F309 AromaticContact CE1-CZ 3.91Å; Y233-F309 HydrophobicContact CE1-CZ 3.91Å; Y233-F309 AromaticContact CE2-CZ 3.96Å; Y233-F309 HydrophobicContact CE2-CZ 3.96Å; Y233-F309 AromaticContact CG-CE1 3.79Å; Y233-F309 HydrophobicContact CG-CE1 3.79Å; Y233-F309 AromaticContact CG-CZ 3.54Å; Y233-F309 HydrophobicContact CG-CZ 3.54Å; Y238-F309 WeakPolarHBondContact CA-O 3.02Å; C239-F309 HydrophobicContact CB-CB 4.36Å; C239-F309 HydrophobicContact CB-CD1 4.46Å; C239-F309 PolarHBondContact N-O 2.8Å; C239-F309 PolarHBondContact O-N 2.9Å; W241-F309 HydrophobicContact CH2-CB 4.03Å; W241-F309 HydrophobicContact CZ3-CB 3.67Å; I260-F309 HydrophobicContact CD1-CD2 4.17Å; I260-F309 HydrophobicContact CD1-CE2 3.52Å; I260-F309 HydrophobicContact CD1-CZ 4.07Å; I260-F309 HydrophobicContact CG1-CE2 4.41Å; F268-F309 WeakPolarHBondContact O-CD2 3.48Å; V269-F309 HydrophobicContact CG2-CB 4.31Å; V269-F309 HydrophobicContact CG2-CD2 3.78Å; V269-F309 HydrophobicContact CG2-CG 4.42Å; F309-A311 HydrophobicContact CE1-CB 4.36Å; F309-A311 HydrophobicContact CZ-CB 3.92Å; F309-F320 HydrophobicContact CB-CE1 4.11Å; F309-F320 HydrophobicContact CB-CZ 4.41Å; F309-F320 HydrophobicContact CD2-CE1 4.22Å; F309-F320 HydrophobicContact CG-CE1 4.05Å
310	I	90.3	Very high	87.6	Confident	3 Å²	3	25.4 Å²	25.4	2%	0.015	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	136.4	177.5	-74.2	169.1	0	0	0	108.5	R202 M203 Y238 D267 F268	R202-I310 HydrophobicContact CB-CD1 3.9Å; R202-I310 HydrophobicContact CB-CG2 4.38Å; M203-I310 HydrophobicContact CE-CD1 3.75Å; M203-I310 HydrophobicContact CG-CD1 3.59Å; Y238-I310 HydrophobicContact CD2-CD1 4.35Å; Y238-I310 HydrophobicContact CD2-CG1 3.69Å; Y238-I310 HydrophobicContact CE2-CD1 4.47Å; Y238-I310 HydrophobicContact CE2-CG1 4.21Å; D267-I310 WeakPolarHBondContact CA-O 3.02Å; F268-I310 HydrophobicContact CD1-CB 4.48Å; F268-I310 HydrophobicContact CE1-CB 4.12Å; F268-I310 HydrophobicContact CE1-CD1 4.22Å; F268-I310 HydrophobicContact CE1-CG2 4.1Å; F268-I310 HydrophobicContact CE2-CD1 4.17Å; F268-I310 HydrophobicContact CZ-CB 4.24Å; F268-I310 HydrophobicContact CZ-CD1 3.63Å; F268-I310 HydrophobicContact CZ-CG1 4.47Å; F268-I310 PolarHBondContact N-O 2.95Å; F268-I310 VanDerWaalsContact N-O 3.08Å; F268-I310 PolarHBondContact O-N 2.82Å
311	A	88.6	Confident	87.5	Confident	6 Å²	6	27.7 Å²	27.7	5%	0.05	16%	0.156	C	C	.	.			trans	-125.6	147.8	169.7	0	0	0	0	0	112.7	Y233 Q236 S237 D267 F309	Y233-A311 HydrophobicContact CD2-CB 3.77Å; Y233-A311 HydrophobicContact CE2-CB 3.86Å; Q236-A311 WeakPolarHBondContact CA-O 3.05Å; Q236-A311 PolarHBondContact N-O 2.89Å; S237-A311 PolarHBondContact O-N 3.05Å; D267-A311 WeakPolarHBondContact OD1-CA 3.31Å; D267-A311 WeakPolarHBondContact OD1-CB 3.21Å; F309-A311 HydrophobicContact CE1-CB 4.36Å; F309-A311 HydrophobicContact CZ-CB 3.92Å
312	D	83.5	Confident	87.7	Confident	26 Å²	26	26.3 Å²	26.3	14%	0.139	15%	0.147	C	C	.	.			trans	-85.6	-171.3	176	122.7	-77	0	0	0	111.8	P235 Q236 D266 D267 S314	P235-D312 CarbonylContact C-O 3.45Å; P235-D312 WeakPolarHBondContact CA-O 3.5Å; P235-D312 VanDerWaalsContact CB-O 3.25Å; P235-D312 WeakPolarHBondContact CB-O 3.27Å; Q236-D312 PolarHBondContact N-O 2.89Å; D266-D312 HydrophobicContact CB-CB 3.95Å; D267-D312 PolarHBondContact OD1-N 3.29Å; D312-S314 VanDerWaalsContact CG-N 3.27Å; D312-S314 VanDerWaalsContact OD1-CA 3.24Å; D312-S314 WeakPolarHBondContact OD1-CA 3.07Å; D312-S314 WeakPolarHBondContact OD1-CB 3.25Å; D312-S314 PolarHBondContact OD1-N 3.1Å; D312-S314 PolarHBondContact OD1-OG 3.05Å; D312-S314 PolarHBondContact OD2-N 3.4Å
313	T	74.1	Confident	87.9	Confident	93 Å²	93	27.1 Å²	27.1	57%	0.571	15%	0.147	S	C	*	.	S	Bend	trans	-72.7	-12.5	170.2	41	0	0	0	0	117	Q236	Q236-T313 HydrophobicContact CG-CG2 3.81Å
314	S	68.1	Low	88.1	Confident	49 Å²	49	27.1 Å²	27.1	34%	0.343	15%	0.146	S	C	.	.	S	Bend	trans	-110.5	-138	-168.7	82.6	0	0	0	0	113.6	D312 Q316	D312-S314 VanDerWaalsContact CG-N 3.27Å; D312-S314 VanDerWaalsContact OD1-CA 3.24Å; D312-S314 WeakPolarHBondContact OD1-CA 3.07Å; D312-S314 WeakPolarHBondContact OD1-CB 3.25Å; D312-S314 PolarHBondContact OD1-N 3.1Å; D312-S314 PolarHBondContact OD1-OG 3.05Å; D312-S314 PolarHBondContact OD2-N 3.4Å; S314-Q316 PolarHBondContact O-N 2.97Å; S314-Q316 PolarHBondContact O-NE2 2.66Å
315	V	70.3	Confident	88.2	Confident	76 Å²	76	30.4 Å²	30.4	46%	0.461	16%	0.16	S	C	.	.			trans	-71.7	98	-143.6	-170.1	0	0	0	0	114.4	E261 R317	E261-V315 VanDerWaalsContact OE1-CB 3.32Å; E261-V315 WeakPolarHBondContact OE1-CB 3.47Å; E261-V315 PolarHBondContact OE2-N 3.44Å; V315-R317 PolarHBondContact O-N 3.48Å
316	Q	78.6	Confident	88.3	Confident	95 Å²	95	32.2 Å²	32.2	44%	0.444	17%	0.169	S	C	.	.			trans	-66.3	119.2	-179.4	-54.2	99.7	42.1	0	0	112.7	Y233 S314	Y233-Q316 HydrophobicContact CD2-CB 4.35Å; Y233-Q316 HydrophobicContact CD2-CG 4.36Å; Y233-Q316 HydrophobicContact CE2-CB 4.25Å; Y233-Q316 HydrophobicContact CE2-CG 4.42Å; Y233-Q316 WeakPolarHBondContact O-CG 3.43Å; S314-Q316 PolarHBondContact O-N 2.97Å; S314-Q316 PolarHBondContact O-NE2 2.66Å
317	R	84.3	Confident	88.2	Confident	71 Å²	71	33 Å²	33	27%	0.268	17%	0.174	S	C	.	.			trans	-93.8	167.3	171.7	-58.2	-48.9	-176.3	126.2	0.7	111.9	G232 Y233 H259 E261 V315 G319	G232-R317 WeakPolarHBondContact CA-O 3.31Å; Y233-R317 WeakPolarHBondContact CD1-O 3.09Å; Y233-R317 HydrophobicContact CE1-CB 3.99Å; Y233-R317 WeakPolarHBondContact CE1-O 3.49Å; Y233-R317 VanDerWaalsContact CZ-N 3.32Å; Y233-R317 PolarHBondContact N-O 3.5Å; Y233-R317 WeakPolarHBondContact OH-CB 3.08Å; Y233-R317 PolarHBondContact OH-N 3.39Å; H259-R317 VanDerWaalsContact O-CB 3.3Å; H259-R317 WeakPolarHBondContact O-CB 3.45Å; E261-R317 HydrophobicContact CB-CG 4.22Å; V315-R317 PolarHBondContact O-N 3.48Å; R317-G319 PolarHBondContact O-N 3.43Å; R317-G319 VanDerWaalsContact O-N 3.13Å
318	P	84.8	Confident	88.1	Confident	46 Å²	46	35.6 Å²	35.6	30%	0.299	19%	0.19	S	C	.	.			trans	-54.1	-29.1	-179.5	-31.3	38.4	0	0	0	115.7	F229	F229-P318 VanDerWaalsContact CD2-O 3.32Å; F229-P318 WeakPolarHBondContact CD2-O 3.49Å
319	G	89.6	Confident	87.9	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	98.9	-149.6	-178.9	0	0	0	0	0	113.5	S226 H259 R317	S226-G319 VanDerWaalsContact OG-CA 3.28Å; S226-G319 WeakPolarHBondContact OG-CA 3.2Å; H259-G319 CarbonylContact C-O 3.6Å; H259-G319 PolarHBondContact N-O 2.79Å; H259-G319 WeakPolarHBondContact O-CA 3.23Å; H259-G319 PolarHBondContact O-N 2.7Å; R317-G319 PolarHBondContact O-N 3.43Å; R317-G319 VanDerWaalsContact O-N 3.13Å
320	F	92	Very high	87.6	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	155.6	-177.9	64.2	-102.6	0	0	0	114.1	F224 T225 S226 W241 F255 I257 F258 I260 V269 F309 A322	F224-F320 HydrophobicContact CD2-CE2 4.23Å; F224-F320 AromaticContact CE2-CE2 3.82Å; F224-F320 HydrophobicContact CE2-CE2 3.82Å; F224-F320 HydrophobicContact CE2-CZ 4.47Å; T225-F320 WeakPolarHBondContact CA-O 3.42Å; S226-F320 PolarHBondContact N-O 2.89Å; S226-F320 PolarHBondContact OG-N 2.9Å; W241-F320 HydrophobicContact CH2-CE2 4.45Å; W241-F320 AromaticContact CH2-CZ 3.72Å; W241-F320 HydrophobicContact CH2-CZ 3.72Å; W241-F320 HydrophobicContact CZ2-CZ 4.42Å; W241-F320 AromaticContact CZ3-CZ 3.86Å; W241-F320 HydrophobicContact CZ3-CZ 3.86Å; F255-F320 HydrophobicContact CD1-CB 4.14Å; F255-F320 AromaticContact CD1-CD2 3.75Å; F255-F320 HydrophobicContact CD1-CD2 3.75Å; F255-F320 HydrophobicContact CD1-CE2 4.38Å; F255-F320 HydrophobicContact CD1-CG 4.01Å; F255-F320 AromaticContact CE1-CD2 3.67Å; F255-F320 HydrophobicContact CE1-CD2 3.67Å; F255-F320 AromaticContact CE1-CE2 3.84Å; F255-F320 HydrophobicContact CE1-CE2 3.84Å; F255-F320 HydrophobicContact CE1-CG 4.11Å; F255-F320 HydrophobicContact CE1-CZ 4.38Å; I257-F320 CarbonylContact O-C 3.58Å; I257-F320 VanDerWaalsContact O-CA 3.23Å; I257-F320 WeakPolarHBondContact O-CA 3.22Å; I257-F320 VanDerWaalsContact O-CB 3.27Å; I257-F320 WeakPolarHBondContact O-CB 3.45Å; F258-F320 HydrophobicContact CD2-CB 4.07Å; I260-F320 HydrophobicContact CD1-CD1 4.11Å; V269-F320 HydrophobicContact CG2-CD1 3.81Å; V269-F320 HydrophobicContact CG2-CE1 3.45Å; V269-F320 VanDerWaalsContact CG2-CE1 3.45Å; V269-F320 HydrophobicContact CG2-CZ 4.33Å; F309-F320 HydrophobicContact CB-CE1 4.11Å; F309-F320 HydrophobicContact CB-CZ 4.41Å; F309-F320 HydrophobicContact CD2-CE1 4.22Å; F309-F320 HydrophobicContact CG-CE1 4.05Å; F320-A322 HydrophobicContact CD2-CB 4.1Å; F320-A322 HydrophobicContact CE2-CB 4.21Å
321	E	93.3	Very high	87.4	Confident	47 Å²	47	47.6 Å²	47.6	22%	0.22	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	126.9	159.6	-176.6	-175.4	118.2	0	0	108.7	T225 F229 F255 I257 Q323	T225-E321 HydrophobicContact CG2-CB 4.24Å; T225-E321 HydrophobicContact CG2-CG 4.1Å; F229-E321 HydrophobicContact CE1-CB 4.13Å; F229-E321 HydrophobicContact CZ-CB 4.11Å; F255-E321 WeakPolarHBondContact CA-O 3.41Å; I257-E321 HydrophobicContact CB-CB 4.38Å; I257-E321 PolarHBondContact O-N 3.01Å; E321-Q323 PolarHBondContact OE1-NE2 3.34Å
322	A	95.3	Very high	87.2	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	146.3	179.6	0	0	0	0	0	110.7	R223 F224 V253 S254 F255 F320	R223-A322 CarbonylContact C-O 3.52Å; R223-A322 VanDerWaalsContact CA-O 3.26Å; R223-A322 WeakPolarHBondContact CA-O 3.41Å; F224-A322 HydrophobicContact CD1-CB 3.96Å; F224-A322 HydrophobicContact CD2-CB 4.13Å; F224-A322 HydrophobicContact CE1-CB 3.53Å; F224-A322 HydrophobicContact CE2-CB 3.73Å; F224-A322 HydrophobicContact CG-CB 4.25Å; F224-A322 HydrophobicContact CZ-CB 3.39Å; F224-A322 PolarHBondContact N-O 2.94Å; F224-A322 PolarHBondContact O-N 3.31Å; F224-A322 VanDerWaalsContact O-O 3.11Å; V253-A322 HydrophobicContact CG1-CB 4.33Å; S254-A322 CarbonylContact O-C 3.54Å; S254-A322 WeakPolarHBondContact O-CA 3.47Å; F255-A322 HydrophobicContact CD1-CB 3.66Å; F255-A322 HydrophobicContact CE1-CB 3.62Å; F255-A322 HydrophobicContact CG-CB 4.27Å; F255-A322 HydrophobicContact CZ-CB 4.16Å; F320-A322 HydrophobicContact CD2-CB 4.1Å; F320-A322 HydrophobicContact CE2-CB 4.21Å
323	Q	95.9	Very high	87	Confident	29 Å²	29	48.9 Å²	48.9	14%	0.136	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	126	-171.9	-50.4	-174.9	-11.6	0	0	108.6	E221 Q222 R223 V253 S254 P256 E321	E221-Q323 HydrophobicContact CG-CB 4.42Å; Q222-Q323 CarbonylContact O-C 3.58Å; Q222-Q323 VanDerWaalsContact O-CA 3.28Å; Q222-Q323 WeakPolarHBondContact O-CA 3.3Å; R223-Q323 HydrophobicContact CG-CB 4.4Å; R223-Q323 HydrophobicContact CG-CG 3.99Å; V253-Q323 CarbonylContact C-O 3.6Å; V253-Q323 WeakPolarHBondContact CA-O 3.42Å; S254-Q323 PolarHBondContact N-O 3.38Å; S254-Q323 PolarHBondContact O-N 3.27Å; P256-Q323 HydrophobicContact CG-CG 4.19Å; E321-Q323 PolarHBondContact OE1-NE2 3.34Å
324	Y	96.6	Very high	87.4	Confident	14 Å²	14	52.4 Å²	52.4	6%	0.055	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	151.8	-168.9	69.9	-79.8	0	0	0	113.2	L215 A217 Q222 F224 I243 S252	L215-Y324 HydrophobicContact CB-CE2 4.27Å; L215-Y324 HydrophobicContact CD1-CE1 3.96Å; A217-Y324 HydrophobicContact CB-CD2 3.93Å; A217-Y324 HydrophobicContact CB-CE2 4.19Å; Q222-Y324 HydrophobicContact CB-CD1 3.85Å; Q222-Y324 HydrophobicContact CB-CD2 4.21Å; Q222-Y324 HydrophobicContact CB-CE1 3.36Å; Q222-Y324 HydrophobicContact CB-CE2 3.76Å; Q222-Y324 HydrophobicContact CB-CG 4.25Å; Q222-Y324 HydrophobicContact CG-CE2 4.29Å; Q222-Y324 PolarHBondContact N-O 3.35Å; Q222-Y324 PolarHBondContact NE2-OH 2.94Å; Q222-Y324 PolarHBondContact O-N 3.02Å; F224-Y324 AromaticContact CD1-CD1 3.63Å; F224-Y324 HydrophobicContact CD1-CD1 3.63Å; F224-Y324 AromaticContact CD1-CE1 3.81Å; F224-Y324 HydrophobicContact CD1-CE1 3.81Å; F224-Y324 AromaticContact CE1-CD1 3.94Å; F224-Y324 HydrophobicContact CE1-CD1 3.94Å; F224-Y324 HydrophobicContact CE1-CE1 4.46Å; I243-Y324 HydrophobicContact CD1-CD2 4.48Å; I243-Y324 HydrophobicContact CD1-CG 4.41Å; I243-Y324 HydrophobicContact CG2-CD2 4.1Å; I243-Y324 HydrophobicContact CG2-CE2 4.31Å; S252-Y324 VanDerWaalsContact O-CA 3.27Å; S252-Y324 WeakPolarHBondContact O-CA 2.99Å
325	K	95.9	Very high	88.2	Confident	84 Å²	84	50.8 Å²	50.8	37%	0.365	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	166.4	-179.7	64.8	-176.2	-179.1	-175.9	0	110.5	V218 S252	V218-K325 WeakPolarHBondContact O-CA 3Å; S252-K325 PolarHBondContact N-O 3.14Å; S252-K325 PolarHBondContact O-N 3.12Å
326	I	96	Very high	89.2	Confident	38 Å²	38	52.2 Å²	52.2	20%	0.195	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	151.7	167.8	69.1	-172.5	0	0	0	112.5	A217 V218 A219 A245 N249 A250	A217-I326 HydrophobicContact CB-CG2 3.66Å; A217-I326 VanDerWaalsContact O-CG2 3.22Å; A217-I326 WeakPolarHBondContact O-CG2 3.15Å; V218-I326 PolarHBondContact O-N 3.05Å; A219-I326 HydrophobicContact CB-CD1 4.16Å; A219-I326 HydrophobicContact CB-CG1 4.22Å; A245-I326 HydrophobicContact CB-CG2 3.75Å; N249-I326 HydrophobicContact CB-CB 3.96Å; N249-I326 HydrophobicContact CB-CG2 4.34Å; A250-I326 CarbonylContact O-C 3.58Å; A250-I326 VanDerWaalsContact O-CA 3.32Å; A250-I326 WeakPolarHBondContact O-CA 3.24Å
327	I	93.3	Very high	89.8	Confident	17 Å²	17	49.3 Å²	49.3	9%	0.087	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	134.7	165.7	-63.2	-174.2	0	0	0	107.3	N249 A250 S252 V299 K329 E331 V332	N249-I327 CarbonylContact C-O 3.58Å; N249-I327 WeakPolarHBondContact CA-O 3.48Å; A250-I327 PolarHBondContact N-O 3.01Å; A250-I327 PolarHBondContact O-N 3.18Å; S252-I327 VanDerWaalsContact CB-CD1 3.49Å; V299-I327 HydrophobicContact CG2-CD1 4.31Å; I327-K329 PolarHBondContact O-N 3.01Å; I327-E331 HydrophobicContact CG2-CB 3.93Å; I327-E331 HydrophobicContact CG2-CG 4.1Å; I327-V332 HydrophobicContact CB-CG2 4.43Å; I327-V332 HydrophobicContact CG2-CG2 3.89Å
328	P	93.3	Very high	90.3	Very high	54 Å²	54	50.4 Å²	50.4	35%	0.351	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	137	178.6	-24.5	35.3	0	0	0	112.4	T330 E331 V332	P328-T330 WeakPolarHBondContact CB-OG1 3.35Å; P328-T330 PolarHBondContact O-N 2.81Å; P328-E331 WeakPolarHBondContact O-CB 3.49Å; P328-E331 PolarHBondContact O-N 3.38Å; P328-V332 PolarHBondContact O-N 2.81Å
329	K	89.6	Confident	90.7	Very high	50 Å²	50	49.4 Å²	49.4	22%	0.217	27%	0.265	C	S	.	.	H	α-helix	trans	-58.2	-23.5	177.5	-81.8	-178.3	-177.9	165.6	0	112.4	E247 E248 N249 N303 I327 S333	E247-K329 VanDerWaalsContact O-CD 3.24Å; E247-K329 WeakPolarHBondContact O-CD 3.46Å; E247-K329 WeakPolarHBondContact O-CE 2.98Å; E247-K329 PolarHBondContact O-NZ 3.32Å; E248-K329 WeakPolarHBondContact O-CB 3.49Å; E248-K329 PolarHBondContact O-N 3.12Å; N249-K329 VanDerWaalsContact O-CE 3.26Å; N249-K329 WeakPolarHBondContact O-CE 3.28Å; N303-K329 PolarHBondContact OD1-NZ 2.03Å; I327-K329 PolarHBondContact O-N 3.01Å; K329-S333 VanDerWaalsContact O-CB 3.28Å; K329-S333 WeakPolarHBondContact O-CB 3.44Å; K329-S333 PolarHBondContact O-N 3.1Å; K329-S333 PolarHBondContact O-OG 2.82Å
330	T	86.6	Confident	90.8	Very high	99 Å²	99	53.9 Å²	53.9	61%	0.607	29%	0.293	S	S	*	.	H	α-helix	trans	-62.8	-44.7	171.4	48.1	0	0	0	0	112.8	P328 S333 Q334	P328-T330 WeakPolarHBondContact CB-OG1 3.35Å; P328-T330 PolarHBondContact O-N 2.81Å; T330-S333 PolarHBondContact O-N 3.06Å; T330-Q334 VanDerWaalsContact O-CB 3.22Å; T330-Q334 WeakPolarHBondContact O-CB 3.44Å; T330-Q334 PolarHBondContact O-N 3.16Å
331	E	86.4	Confident	90.7	Very high	106 Å²	106	58 Å²	58	50%	0.495	32%	0.315	S	S	.	.	H	α-helix	trans	-67	-39.7	178	-172.5	177.4	165.9	0	0	111.2	I327 P328 S333 Q334 L350	I327-E331 HydrophobicContact CG2-CB 3.93Å; I327-E331 HydrophobicContact CG2-CG 4.1Å; P328-E331 WeakPolarHBondContact O-CB 3.49Å; P328-E331 PolarHBondContact O-N 3.38Å; E331-S333 VanDerWaalsContact C-N 3.27Å; E331-S333 PolarHBondContact O-N 2.74Å; E331-Q334 PolarHBondContact O-N 3.11Å; E331-L350 HydrophobicContact CG-CD2 4.33Å
332	V	83.8	Confident	90.4	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-64.3	-30.5	174.1	-172.8	0	0	0	0	112.4	A250 V299 I327 P328 L350 P356	A250-V332 HydrophobicContact CB-CG2 3.73Å; V299-V332 HydrophobicContact CG1-CG2 4.18Å; I327-V332 HydrophobicContact CB-CG2 4.43Å; I327-V332 HydrophobicContact CG2-CG2 3.89Å; P328-V332 PolarHBondContact O-N 2.81Å; V332-L350 HydrophobicContact CG2-CD1 4.26Å; V332-P356 HydrophobicContact CG1-CB 3.77Å; V332-P356 HydrophobicContact CG1-CG 3.52Å
333	S	80.5	Confident	90.2	Very high	58 Å²	58	66.1 Å²	66.1	41%	0.406	36%	0.356	S	S	.	.	H	α-helix	trans	-94	-14.1	-178.4	-49.9	0	0	0	0	113.7	K329 T330 E331 C335 R359	K329-S333 VanDerWaalsContact O-CB 3.28Å; K329-S333 WeakPolarHBondContact O-CB 3.44Å; K329-S333 PolarHBondContact O-N 3.1Å; K329-S333 PolarHBondContact O-OG 2.82Å; T330-S333 PolarHBondContact O-N 3.06Å; E331-S333 VanDerWaalsContact C-N 3.27Å; E331-S333 PolarHBondContact O-N 2.74Å; S333-C335 PolarHBondContact O-N 2.94Å; S333-C335 VanDerWaalsContact O-N 3.12Å; S333-R359 PolarHBondContact OG-NH1 3.47Å
334	Q	81.3	Confident	90	Very high	167 Å²	167	67.1 Å²	67.1	78%	0.78	36%	0.362	S	S	*	.			trans	-88.7	77.6	-173.8	-171.8	176.7	-14.9	0	0	111.6	T330 E331	T330-Q334 VanDerWaalsContact O-CB 3.22Å; T330-Q334 WeakPolarHBondContact O-CB 3.44Å; T330-Q334 PolarHBondContact O-N 3.16Å; E331-Q334 PolarHBondContact O-N 3.11Å
335	C	85.7	Confident	89.7	Confident	16 Å²	16	70.6 Å²	70.6	11%	0.108	38%	0.382	C	S	.	.			trans	-118.3	-18.8	176	53	0	0	0	0	114.7	S333 A337 P349 C361 W363	S333-C335 PolarHBondContact O-N 2.94Å; S333-C335 VanDerWaalsContact O-N 3.12Å; C335-A337 PolarHBondContact O-N 3.19Å; C335-P349 HydrophobicContact CB-CG 3.91Å; C335-C361 HydrophobicContact CB-CB 3.64Å; C335-C361 WeakPolarHBondContact CB-SG 3.33Å; C335-C361 VanDerWaalsContact SG-CA 3.54Å; C335-C361 WeakPolarHBondContact SG-CB 3.49Å; C335-C361 CovalentContact SG-SG 2.02Å; C335-C361 PolarHBondContact SG-SG 2.94Å; C335-W363 HydrophobicContact CB-CZ2 4.39Å; C335-W363 PolarHBondContact O-NE1 2.91Å
336	D	91	Very high	89.6	Confident	105 Å²	105	67 Å²	67	56%	0.561	37%	0.366	S	S	*	.			trans	-63.6	130.9	175.2	-73.6	-21.4	0	0	0	111.7	T362	D336-T362 WeakPolarHBondContact CA-O 3Å; D336-T362 WeakPolarHBondContact OD1-CA 3.45Å; D336-T362 WeakPolarHBondContact OD1-CB 3.11Å; D336-T362 PolarHBondContact OD1-N 3.1Å
337	A	91.1	Very high	89.5	Confident	35 Å²	35	67.1 Å²	67.1	29%	0.289	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	147.8	178.1	0	0	0	0	0	113.5	C335 L339 T362 W363 T364	C335-A337 PolarHBondContact O-N 3.19Å; A337-L339 HydrophobicContact CB-CD2 3.87Å; A337-L339 HydrophobicContact CB-CG 4.41Å; A337-T362 PolarHBondContact N-O 3.29Å; A337-T362 VanDerWaalsContact N-O 3.13Å; A337-W363 WeakPolarHBondContact O-CA 3.27Å; A337-T364 PolarHBondContact O-N 3.29Å
338	V	93.7	Very high	89.4	Confident	93 Å²	93	66.3 Å²	66.3	56%	0.564	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.7	112.3	170.2	-175.1	0	0	0	0	108.1	T340 T364 K366	V338-T340 HydrophobicContact CG1-CG2 4.25Å; V338-T364 CarbonylContact C-O 3.53Å; V338-T364 WeakPolarHBondContact CA-O 3.22Å; V338-K366 HydrophobicContact CG1-CD 4.1Å
339	L	93.3	Very high	89.4	Confident	26 Å²	26	64.3 Å²	64.3	14%	0.136	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	118.8	-171.4	-53.5	-179.4	0	0	0	109.4	A337 F346 W363 T364 I365 K366 Y439	A337-L339 HydrophobicContact CB-CD2 3.87Å; A337-L339 HydrophobicContact CB-CG 4.41Å; L339-F346 HydrophobicContact CD1-CB 4.11Å; L339-F346 HydrophobicContact CD1-CD1 4.38Å; L339-F346 HydrophobicContact CD1-CG 4.41Å; L339-W363 HydrophobicContact CD1-CB 4.41Å; L339-T364 PolarHBondContact N-O 2.87Å; L339-I365 HydrophobicContact CB-CG1 4.31Å; L339-I365 HydrophobicContact CD1-CG1 4.27Å; L339-I365 CarbonylContact O-C 3.5Å; L339-I365 WeakPolarHBondContact O-CA 3.49Å; L339-K366 PolarHBondContact O-N 2.78Å; L339-Y439 HydrophobicContact CB-CE1 3.88Å; L339-Y439 WeakPolarHBondContact CB-OH 3.41Å; L339-Y439 HydrophobicContact CD1-CD1 4.45Å; L339-Y439 HydrophobicContact CD1-CE1 3.81Å; L339-Y439 HydrophobicContact CG-CE1 4.47Å
340	T	92.9	Very high	89.3	Confident	94 Å²	94	64 Å²	64	58%	0.577	35%	0.352	S	S	*	.			trans	-123	9.4	-171.3	59.9	0	0	0	0	114.5	V338 K366	V338-T340 HydrophobicContact CG1-CG2 4.25Å; T340-K366 WeakPolarHBondContact CA-O 3.47Å; T340-K366 HydrophobicContact CG2-CB 4.24Å
341	N	89.3	Confident	89.4	Confident	87 Å²	87	62.7 Å²	62.7	47%	0.465	34%	0.336	S	S	.	.	S	Bend	trans	-80.5	160	180	-69	-30.5	0	0	0	110	E343 D344 Y439	N341-E343 VanDerWaalsContact C-N 3.29Å; N341-D344 HydrophobicContact CB-CB 4.33Å; N341-D344 PolarHBondContact ND2-OD2 2.93Å; N341-Y439 PolarHBondContact N-OH 2.87Å; N341-Y439 WeakPolarHBondContact O-CE2 3.37Å; N341-Y439 PolarHBondContact O-OH 3.06Å
342	D	86.4	Confident	89.3	Confident	101 Å²	101	62 Å²	62	54%	0.54	34%	0.341	S	S	.	.	S	Bend	trans	-75.5	-21.8	177.1	-82.2	-52.6	0	0	0	112.8	K440 T441	D342-K440 CarbonylContact O-C 3.56Å; D342-K440 WeakPolarHBondContact O-CA 3.46Å; D342-T441 HydrophobicContact CB-CG2 3.85Å; D342-T441 WeakPolarHBondContact O-CG2 3.29Å; D342-T441 PolarHBondContact O-N 3.48Å; D342-T441 WeakPolarHBondContact OD1-CG2 3.43Å
343	E	90.9	Very high	89.6	Confident	115 Å²	115	63.2 Å²	63.2	54%	0.537	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	135.5	171.7	170	166.6	170.9	0	0	108.8	N341 Y439 K440	N341-E343 VanDerWaalsContact C-N 3.29Å; E343-Y439 VanDerWaalsContact CA-O 3.3Å; E343-Y439 WeakPolarHBondContact CA-O 3.36Å; E343-K440 HydrophobicContact CB-CG 4.26Å; E343-K440 HydrophobicContact CG-CG 3.94Å; E343-K440 WeakPolarHBondContact OE1-CE 3.21Å; E343-K440 IonicContact OE1-NZ 2.66Å; E343-K440 PolarHBondContact OE1-NZ 2.81Å; E343-K440 IonicContact OE2-NZ 3.62Å; E343-K440 PolarHBondContact OE2-NZ 3.13Å
344	D	91.8	Very high	90.1	Very high	51 Å²	51	60.9 Å²	60.9	27%	0.273	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	179.3	174.9	-139.3	-32.7	0	0	0	112.4	N341 T438 Y439	N341-D344 HydrophobicContact CB-CB 4.33Å; N341-D344 PolarHBondContact ND2-OD2 2.93Å; D344-T438 CarbonylContact O-C 3.56Å; D344-T438 WeakPolarHBondContact O-CA 3.12Å; D344-Y439 HydrophobicContact CB-CD1 4.24Å; D344-Y439 HydrophobicContact CB-CE1 3.42Å; D344-Y439 VanDerWaalsContact CB-CE1 3.42Å; D344-Y439 PolarHBondContact N-O 3.45Å; D344-Y439 VanDerWaalsContact N-O 3.12Å; D344-Y439 PolarHBondContact O-N 3.09Å
345	N	92	Very high	90.6	Very high	86 Å²	86	52.9 Å²	52.9	46%	0.46	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	158.5	173.3	73.9	97.5	0	0	0	112.7	A437 T438	N345-A437 CarbonylContact C-O 3.49Å; N345-A437 VanDerWaalsContact CA-O 3.31Å; N345-A437 WeakPolarHBondContact CA-O 3.26Å; N345-A437 WeakPolarHBondContact CB-O 3.2Å; N345-T438 HydrophobicContact CB-CG2 4.04Å
346	F	93	Very high	91	Very high	10 Å²	10	52.1 Å²	52.1	4%	0.044	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	157	171	67.1	-78.7	0	0	0	110.4	L339 W363 I365 V375 F377 V422 F435 A437 Y439	L339-F346 HydrophobicContact CD1-CB 4.11Å; L339-F346 HydrophobicContact CD1-CD1 4.38Å; L339-F346 HydrophobicContact CD1-CG 4.41Å; F346-W363 AromaticContact CD2-CD2 3.84Å; F346-W363 HydrophobicContact CD2-CD2 3.84Å; F346-W363 HydrophobicContact CD2-CE3 4.22Å; F346-W363 AromaticContact CD2-CG 3.95Å; F346-W363 HydrophobicContact CD2-CG 3.95Å; F346-W363 HydrophobicContact CE2-CD2 4.36Å; F346-W363 HydrophobicContact CE2-CE3 4.35Å; F346-W363 HydrophobicContact CG-CG 4.42Å; F346-I365 HydrophobicContact CE1-CD1 4.15Å; F346-V375 HydrophobicContact CE1-CG1 3.98Å; F346-V375 HydrophobicContact CZ-CG1 3.88Å; F346-F377 HydrophobicContact CZ-CZ 4.44Å; F346-V422 HydrophobicContact CE2-CB 4.42Å; F346-V422 HydrophobicContact CE2-CG1 3.99Å; F346-V422 HydrophobicContact CE2-CG2 4.43Å; F346-V422 HydrophobicContact CZ-CG1 4.39Å; F346-V422 HydrophobicContact CZ-CG2 4.13Å; F346-F435 AromaticContact CD2-CE2 3.82Å; F346-F435 HydrophobicContact CD2-CE2 3.82Å; F346-F435 AromaticContact CE2-CE2 3.77Å; F346-F435 HydrophobicContact CE2-CE2 3.77Å; F346-F435 HydrophobicContact CE2-CZ 4.46Å; F346-A437 HydrophobicContact CD1-CB 4.1Å; F346-A437 HydrophobicContact CD2-CB 4.39Å; F346-A437 HydrophobicContact CE1-CB 3.65Å; F346-A437 HydrophobicContact CE2-CB 3.96Å; F346-A437 HydrophobicContact CG-CB 4.44Å; F346-A437 HydrophobicContact CZ-CB 3.57Å; F346-A437 PolarHBondContact N-O 3.33Å; F346-A437 PolarHBondContact O-N 2.9Å; F346-A437 VanDerWaalsContact O-O 3.05Å; F346-Y439 HydrophobicContact CD1-CD1 4.23Å; F346-Y439 HydrophobicContact CE1-CD1 4.42Å
347	T	93.2	Very high	91.1	Very high	40 Å²	40	47.1 Å²	47.1	25%	0.245	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	166.1	-173.5	55.7	0	0	0	0	111.2	Y351 W363 F435 H436	T347-Y351 HydrophobicContact CG2-CD1 3.78Å; T347-Y351 HydrophobicContact CG2-CE1 4.42Å; T347-Y351 HydrophobicContact CG2-CG 3.93Å; T347-W363 WeakPolarHBondContact O-CZ2 3.46Å; T347-F435 VanDerWaalsContact CA-O 3.29Å; T347-F435 WeakPolarHBondContact CA-O 3.29Å; T347-F435 WeakPolarHBondContact CB-O 3.29Å; T347-H436 HydrophobicContact CG2-CB 4.17Å; T347-H436 VanDerWaalsContact CG2-ND1 3.33Å; T347-H436 WeakPolarHBondContact CG2-ND1 3.25Å
348	S	92.7	Very high	91.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	-56.8	156.6	158.7	46	0	0	0	0	111.4	L350 Y351 K433 G434 F435	S348-L350 PolarHBondContact O-N 3.41Å; S348-Y351 WeakPolarHBondContact O-CB 3.48Å; S348-Y351 PolarHBondContact O-N 3.16Å; S348-K433 PolarHBondContact OG-O 2.78Å; S348-G434 WeakPolarHBondContact OG-CA 3.27Å; S348-F435 PolarHBondContact N-O 2.86Å; S348-F435 PolarHBondContact OG-N 2.73Å; S348-F435 PolarHBondContact OG-O 3.19Å
349	P	91.9	Very high	90.9	Very high	11 Å²	11	45 Å²	45	7%	0.071	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	137.6	-179	-23.3	33.7	0	0	0	112.1	C335 Y351 C361 F424	C335-P349 HydrophobicContact CB-CG 3.91Å; P349-Y351 PolarHBondContact O-N 3.17Å; P349-C361 WeakPolarHBondContact CG-SG 3.25Å; P349-F424 HydrophobicContact CG-CE1 4.33Å
350	L	89.1	Confident	90.9	Very high	44 Å²	44	48.5 Å²	48.5	23%	0.23	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	17	175	-49.2	179.3	0	0	0	115.9	V299 E331 V332 S348 S353 P356	V299-L350 HydrophobicContact CB-CD1 4.06Å; V299-L350 HydrophobicContact CG1-CD1 3.89Å; V299-L350 HydrophobicContact CG2-CD1 3.75Å; E331-L350 HydrophobicContact CG-CD2 4.33Å; V332-L350 HydrophobicContact CG2-CD1 4.26Å; S348-L350 PolarHBondContact O-N 3.41Å; L350-S353 WeakPolarHBondContact O-CB 3.48Å; L350-S353 PolarHBondContact O-N 2.81Å; L350-S353 PolarHBondContact O-OG 3.17Å; L350-P356 HydrophobicContact CD1-CG 4.26Å
351	Y	87.4	Confident	91	Very high	72 Å²	72	44 Å²	44	28%	0.282	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	135.4	170.7	-179.7	-85.7	0	0	0	111.6	T347 S348 P349 M379 K433 H436	T347-Y351 HydrophobicContact CG2-CD1 3.78Å; T347-Y351 HydrophobicContact CG2-CE1 4.42Å; T347-Y351 HydrophobicContact CG2-CG 3.93Å; S348-Y351 WeakPolarHBondContact O-CB 3.48Å; S348-Y351 PolarHBondContact O-N 3.16Å; P349-Y351 PolarHBondContact O-N 3.17Å; Y351-M379 HydrophobicContact CE2-CE 4.1Å; Y351-M379 HydrophobicContact CE2-SD 3.99Å; Y351-M379 VanDerWaalsContact OH-CE 3.24Å; Y351-M379 WeakPolarHBondContact OH-CE 3.34Å; Y351-K433 WeakPolarHBondContact CD2-O 3.44Å; Y351-H436 HydrophobicContact CE1-CB 4.3Å; Y351-H436 HydrophobicContact CE2-CB 4.18Å
352	P	85.6	Confident	91.3	Very high	92 Å²	92	41.6 Å²	41.6	60%	0.597	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	cis	-89.8	13.7	13.5	37.5	-38.3	0	0	0	115.4
353	S	88.3	Confident	91.7	Very high	25 Å²	25	37.4 Å²	37.4	18%	0.175	20%	0.204	C	C	.	.	S	Bend	trans	-63.7	164.6	169.7	-40	0	0	0	0	110.8	L350	L350-S353 WeakPolarHBondContact O-CB 3.48Å; L350-S353 PolarHBondContact O-N 2.81Å; L350-S353 PolarHBondContact O-OG 3.17Å
354	F	91.3	Very high	91.9	Very high	8 Å²	8	33.1 Å²	33.1	4%	0.035	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-63.2	139.6	163.3	-76.4	23.6	0	0	0	108.6	T284 L296 S297 T431 D432 K433	T284-F354 HydrophobicContact CG2-CE2 4.35Å; L296-F354 HydrophobicContact CD1-CE1 4.43Å; L296-F354 HydrophobicContact CD1-CE2 4.35Å; L296-F354 HydrophobicContact CD1-CZ 4.24Å; S297-F354 PolarHBondContact O-N 3.25Å; F354-T431 WeakPolarHBondContact CD2-O 3.34Å; F354-T431 VanDerWaalsContact CE2-O 3.23Å; F354-T431 WeakPolarHBondContact CE2-O 3.42Å; F354-D432 VanDerWaalsContact CA-O 3.28Å; F354-D432 WeakPolarHBondContact CA-O 3.47Å; F354-K433 HydrophobicContact CD1-CG 4.08Å; F354-K433 HydrophobicContact CE1-CG 3.84Å
355	Y	92.5	Very high	92	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-69.3	153	-179.9	50.1	-97.2	0	0	0	110.9	M382 D395 F424 T431 D432 G434	Y355-M382 HydrophobicContact CE1-CG 3.9Å; Y355-D395 WeakPolarHBondContact CE2-OD2 3.3Å; Y355-D395 PolarHBondContact OH-OD2 3.42Å; Y355-F424 HydrophobicContact CD1-CE2 4.44Å; Y355-F424 HydrophobicContact CD1-CZ 4.23Å; Y355-F424 HydrophobicContact CD2-CE2 4.42Å; Y355-F424 AromaticContact CD2-CZ 3.65Å; Y355-F424 HydrophobicContact CD2-CZ 3.65Å; Y355-F424 HydrophobicContact CE2-CZ 4.1Å; Y355-F424 HydrophobicContact CG-CE2 4.36Å; Y355-F424 AromaticContact CG-CZ 3.71Å; Y355-F424 HydrophobicContact CG-CZ 3.71Å; Y355-T431 HydrophobicContact CD2-CG2 3.81Å; Y355-T431 HydrophobicContact CE2-CG2 3.66Å; Y355-T431 WeakPolarHBondContact O-CB 3.34Å; Y355-T431 VanDerWaalsContact O-CG2 3.27Å; Y355-T431 WeakPolarHBondContact O-CG2 3.43Å; Y355-D432 WeakPolarHBondContact CD1-O 3.39Å; Y355-D432 WeakPolarHBondContact CE1-O 3.23Å; Y355-D432 PolarHBondContact N-O 3.26Å; Y355-G434 VanDerWaalsContact CD1-CA 3.42Å; Y355-G434 VanDerWaalsContact CE1-CA 3.49Å
356	P	93	Very high	92.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-71.3	147.2	178.2	-11.2	25.9	0	0	0	111.8	V332 L350 R359 S426	V332-P356 HydrophobicContact CG1-CB 3.77Å; V332-P356 HydrophobicContact CG1-CG 3.52Å; L350-P356 HydrophobicContact CD1-CG 4.26Å; P356-R359 HydrophobicContact CB-CG 3.89Å; P356-R359 HydrophobicContact CG-CG 4.33Å; P356-S426 PolarHBondContact O-OG 2.84Å
357	P	93.2	Very high	92	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-62.5	161	168.1	-21.4	33	0	0	0	113.3	D273 I283 S301 R359 D427 T431	D273-P357 WeakPolarHBondContact OD2-CG 3.42Å; I283-P357 HydrophobicContact CD1-CG 4.4Å; I283-P357 HydrophobicContact CG1-CG 4.02Å; I283-P357 HydrophobicContact CG2-CG 4.33Å; S301-P357 WeakPolarHBondContact CB-O 3.22Å; P357-R359 WeakPolarHBondContact O-CG 3.14Å; P357-R359 PolarHBondContact O-N 3.49Å; P357-R359 PolarHBondContact O-NE 2.98Å; P357-D427 CarbonylContact C-O 3.54Å; P357-D427 WeakPolarHBondContact CA-O 3.26Å; P357-T431 HydrophobicContact CG-CG2 3.92Å
358	A	91	Very high	91.8	Very high	46 Å²	46	32.3 Å²	32.3	38%	0.38	18%	0.182	S	C	.	.	S	Bend	trans	57.7	36.3	173.8	0	0	0	0	0	115	S426 D427 E428	A358-S426 WeakPolarHBondContact CA-O 3.23Å; A358-D427 PolarHBondContact N-O 2.96Å; A358-E428 HydrophobicContact CB-CG 4.27Å
359	R	91.2	Very high	91.3	Very high	38 Å²	38	36.9 Å²	36.9	14%	0.143	22%	0.22	C	C	.	.			trans	-111.4	139	-176	-57.6	-53.3	168.7	159.3	-4.4	113.5	S301 S333 P356 P357 F424 H425 S426	S301-R359 PolarHBondContact O-NH2 3.01Å; S333-R359 PolarHBondContact OG-NH1 3.47Å; P356-R359 HydrophobicContact CB-CG 3.89Å; P356-R359 HydrophobicContact CG-CG 4.33Å; P357-R359 WeakPolarHBondContact O-CG 3.14Å; P357-R359 PolarHBondContact O-N 3.49Å; P357-R359 PolarHBondContact O-NE 2.98Å; R359-F424 HydrophobicContact CB-CE1 4.44Å; R359-H425 CarbonylContact O-C 3.53Å; R359-H425 WeakPolarHBondContact O-CA 3.41Å; R359-S426 PolarHBondContact N-O 3.34Å; R359-S426 PolarHBondContact N-OG 3.33Å; R359-S426 PolarHBondContact O-N 2.83Å; R359-S426 PolarHBondContact O-OG 3.03Å
360	N	93.4	Very high	90.8	Very high	98 Å²	98	39 Å²	39	52%	0.524	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128.6	171.2	-68.3	-90.3	0	0	0	107.8	F424 H425	N360-F424 WeakPolarHBondContact CA-O 3.24Å; N360-H425 PolarHBondContact OD1-ND1 2.88Å
361	C	93.6	Very high	90.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	136	-174.7	-60.5	0	0	0	0	110.9	C335 P349 W363 I423 F424	C335-C361 HydrophobicContact CB-CB 3.64Å; C335-C361 WeakPolarHBondContact CB-SG 3.33Å; C335-C361 VanDerWaalsContact SG-CA 3.54Å; C335-C361 WeakPolarHBondContact SG-CB 3.49Å; C335-C361 CovalentContact SG-SG 2.02Å; C335-C361 PolarHBondContact SG-SG 2.94Å; P349-C361 WeakPolarHBondContact CG-SG 3.25Å; C361-W363 HydrophobicContact CB-CH2 3.44Å; C361-W363 VanDerWaalsContact CB-CH2 3.44Å; C361-W363 HydrophobicContact CB-CZ2 3.97Å; C361-W363 HydrophobicContact CB-CZ3 3.84Å; C361-I423 CarbonylContact O-C 3.48Å; C361-I423 WeakPolarHBondContact O-CA 3.37Å; C361-F424 HydrophobicContact CB-CB 4.24Å; C361-F424 HydrophobicContact CB-CD1 4.05Å; C361-F424 PolarHBondContact N-O 3.23Å; C361-F424 PolarHBondContact O-N 2.67Å
362	T	95	Very high	90.7	Very high	37 Å²	37	40 Å²	40	23%	0.227	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	111.7	-172.3	-52.2	0	0	0	0	111.6	D336 A337 Q421 V422	D336-T362 WeakPolarHBondContact CA-O 3Å; D336-T362 WeakPolarHBondContact OD1-CA 3.45Å; D336-T362 WeakPolarHBondContact OD1-CB 3.11Å; D336-T362 PolarHBondContact OD1-N 3.1Å; A337-T362 PolarHBondContact N-O 3.29Å; A337-T362 VanDerWaalsContact N-O 3.13Å; T362-Q421 HydrophobicContact CG2-CG 3.85Å; T362-Q421 VanDerWaalsContact CG2-NE2 3.3Å; T362-V422 WeakPolarHBondContact CA-O 3.23Å
363	W	95.7	Very high	91	Very high	13 Å²	13	35.7 Å²	35.7	5%	0.049	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	122.7	169.1	-56.9	-90.8	0	0	0	109.9	C335 A337 L339 F346 T347 C361 Q421 V422 F424 F435	C335-W363 HydrophobicContact CB-CZ2 4.39Å; C335-W363 PolarHBondContact O-NE1 2.91Å; A337-W363 WeakPolarHBondContact O-CA 3.27Å; L339-W363 HydrophobicContact CD1-CB 4.41Å; F346-W363 AromaticContact CD2-CD2 3.84Å; F346-W363 HydrophobicContact CD2-CD2 3.84Å; F346-W363 HydrophobicContact CD2-CE3 4.22Å; F346-W363 AromaticContact CD2-CG 3.95Å; F346-W363 HydrophobicContact CD2-CG 3.95Å; F346-W363 HydrophobicContact CE2-CD2 4.36Å; F346-W363 HydrophobicContact CE2-CE3 4.35Å; F346-W363 HydrophobicContact CG-CG 4.42Å; T347-W363 WeakPolarHBondContact O-CZ2 3.46Å; C361-W363 HydrophobicContact CB-CH2 3.44Å; C361-W363 VanDerWaalsContact CB-CH2 3.44Å; C361-W363 HydrophobicContact CB-CZ2 3.97Å; C361-W363 HydrophobicContact CB-CZ3 3.84Å; W363-Q421 WeakPolarHBondContact O-CA 3.41Å; W363-V422 HydrophobicContact CB-CB 4.36Å; W363-V422 HydrophobicContact CE3-CB 4.27Å; W363-V422 HydrophobicContact CE3-CG1 4.05Å; W363-V422 PolarHBondContact N-O 3.13Å; W363-V422 PolarHBondContact O-N 2.04Å; W363-F424 HydrophobicContact CH2-CB 3.89Å; W363-F424 HydrophobicContact CZ3-CB 3.57Å; W363-F435 HydrophobicContact CH2-CE1 4.49Å; W363-F435 AromaticContact CH2-CZ 3.71Å; W363-F435 HydrophobicContact CH2-CZ 3.71Å; W363-F435 HydrophobicContact CZ2-CZ 4.47Å; W363-F435 AromaticContact CZ3-CZ 3.79Å; W363-F435 HydrophobicContact CZ3-CZ 3.79Å
364	T	95.2	Very high	90.9	Very high	25 Å²	25	36.2 Å²	36.2	15%	0.153	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	98.7	176.1	-55.9	0	0	0	0	109	A337 V338 L339 K366 E419	A337-T364 PolarHBondContact O-N 3.29Å; V338-T364 CarbonylContact C-O 3.53Å; V338-T364 WeakPolarHBondContact CA-O 3.22Å; L339-T364 PolarHBondContact N-O 2.87Å; T364-K366 HydrophobicContact CG2-CD 4.2Å; T364-K366 HydrophobicContact CG2-CG 4.34Å; T364-E419 HydrophobicContact CG2-CG 4.42Å
365	I	94.6	Very high	90.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	127.2	-179	-53	169.5	0	0	0	108.9	L339 F346 V367 I373 V375 E419 L420 V422 Y439	L339-I365 HydrophobicContact CB-CG1 4.31Å; L339-I365 HydrophobicContact CD1-CG1 4.27Å; L339-I365 CarbonylContact O-C 3.5Å; L339-I365 WeakPolarHBondContact O-CA 3.49Å; F346-I365 HydrophobicContact CE1-CD1 4.15Å; I365-V367 HydrophobicContact CG2-CG1 4.47Å; I365-I373 HydrophobicContact CB-CD1 4.02Å; I365-I373 HydrophobicContact CB-CG2 4.47Å; I365-I373 HydrophobicContact CD1-CG2 4.27Å; I365-I373 HydrophobicContact CG2-CD1 3.74Å; I365-I373 HydrophobicContact CG2-CG1 4.06Å; I365-I373 HydrophobicContact CG2-CG2 3.89Å; I365-I373 WeakPolarHBondContact O-CD1 3.47Å; I365-V375 HydrophobicContact CD1-CG2 4.12Å; I365-E419 CarbonylContact O-C 3.54Å; I365-E419 WeakPolarHBondContact O-CA 3.48Å; I365-L420 PolarHBondContact N-O 2.79Å; I365-L420 PolarHBondContact O-N 3.43Å; I365-V422 HydrophobicContact CD1-CG2 4.38Å; I365-Y439 HydrophobicContact CD1-CD1 3.91Å; I365-Y439 HydrophobicContact CD1-CE1 4.47Å; I365-Y439 HydrophobicContact CD1-CG 3.98Å; I365-Y439 HydrophobicContact CG1-CD1 4.37Å; I365-Y439 HydrophobicContact CG1-CE1 4.45Å; I365-Y439 HydrophobicContact CG2-CD1 4.36Å; I365-Y439 HydrophobicContact CG2-CD2 3.63Å; I365-Y439 HydrophobicContact CG2-CE1 4.23Å; I365-Y439 HydrophobicContact CG2-CE2 3.49Å; I365-Y439 VanDerWaalsContact CG2-CE2 3.49Å; I365-Y439 HydrophobicContact CG2-CG 4.09Å
366	K	93.4	Very high	90.5	Very high	81 Å²	81	37.5 Å²	37.5	35%	0.352	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	113.1	-173.7	-84.3	174	168.4	155.5	0	111.3	V338 L339 T340 T364 E419	V338-K366 HydrophobicContact CG1-CD 4.1Å; L339-K366 PolarHBondContact O-N 2.78Å; T340-K366 WeakPolarHBondContact CA-O 3.47Å; T340-K366 HydrophobicContact CG2-CB 4.24Å; T364-K366 HydrophobicContact CG2-CD 4.2Å; T364-K366 HydrophobicContact CG2-CG 4.34Å; K366-E419 WeakPolarHBondContact CE-OE1 3.13Å; K366-E419 WeakPolarHBondContact CE-OE2 3.27Å; K366-E419 HydrophobicContact CG-CB 4.42Å; K366-E419 HydrophobicContact CG-CG 4.03Å; K366-E419 IonicContact NZ-OE1 2.81Å; K366-E419 PolarHBondContact NZ-OE1 2.93Å; K366-E419 IonicContact NZ-OE2 2.73Å
367	V	91.1	Very high	90.1	Very high	11 Å²	11	37.5 Å²	37.5	7%	0.067	23%	0.225	C	C	.	.			trans	-115.2	164.4	-179.6	-55.9	0	0	0	0	112.1	I365 A369 N371 I373 N418 T441	I365-V367 HydrophobicContact CG2-CG1 4.47Å; V367-A369 PolarHBondContact O-N 3.33Å; V367-N371 HydrophobicContact CG2-CB 3.98Å; V367-I373 HydrophobicContact CB-CG1 4.25Å; V367-I373 HydrophobicContact CG1-CD1 4.13Å; V367-I373 HydrophobicContact CG1-CG1 3.57Å; V367-I373 HydrophobicContact CG2-CD1 4.11Å; V367-I373 HydrophobicContact CG2-CG1 3.64Å; V367-N418 HydrophobicContact CG2-CB 3.94Å; V367-N418 WeakPolarHBondContact CG2-O 3.32Å; V367-N418 PolarHBondContact N-O 2.95Å; V367-N418 PolarHBondContact O-ND2 2.88Å; V367-T441 HydrophobicContact CB-CG2 3.77Å; V367-T441 HydrophobicContact CG1-CG2 3.34Å
368	S	88.7	Confident	89.3	Confident	77 Å²	77	41 Å²	41	54%	0.538	24%	0.244	S	C	.	.			trans	-51	134.7	179.5	-69.4	0	0	0	0	112.5	G370 N371	S368-G370 PolarHBondContact O-N 2.65Å; S368-N371 WeakPolarHBondContact O-CB 3.01Å; S368-N371 PolarHBondContact O-N 2.79Å
369	A	82.8	Confident	88.8	Confident	96 Å²	96	41.4 Å²	41.4	79%	0.793	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	126.5	-175.2	0	0	0	0	0	112	V367	V367-A369 PolarHBondContact O-N 3.33Å
370	G	81.5	Confident	88.3	Confident	55 Å²	55	39.7 Å²	39.7	57%	0.567	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	103.8	-21.1	-173.1	0	0	0	0	0	114.2	S368 P444	S368-G370 PolarHBondContact O-N 2.65Å; G370-P444 WeakPolarHBondContact O-CD 3.05Å; G370-P444 VanDerWaalsContact O-CG 3.29Å; G370-P444 WeakPolarHBondContact O-CG 3.49Å
371	N	85.9	Confident	87.8	Confident	37 Å²	37	38.5 Å²	38.5	20%	0.198	22%	0.22	C	C	.	.			trans	-86	161.4	171.5	-69.6	-6.8	0	0	0	111.9	V367 S368 N418 T441 I442	V367-N371 HydrophobicContact CG2-CB 3.98Å; S368-N371 WeakPolarHBondContact O-CB 3.01Å; S368-N371 PolarHBondContact O-N 2.79Å; N371-N418 VanDerWaalsContact O-CA 3.25Å; N371-N418 WeakPolarHBondContact O-CA 3.45Å; N371-N418 WeakPolarHBondContact O-CB 3.4Å; N371-T441 PolarHBondContact ND2-OG1 2.92Å; N371-I442 CarbonylContact C-O 3.11Å; N371-I442 WeakPolarHBondContact CA-O 3.47Å
372	R	88.9	Confident	87.5	Confident	102 Å²	102	38.7 Å²	38.7	39%	0.385	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	169.5	169.1	-75.7	174.1	169.3	-179.4	-4	110.3	S415 E416 T441 I442 P444	R372-S415 WeakPolarHBondContact CD-O 3.32Å; R372-S415 WeakPolarHBondContact CG-O 3.23Å; R372-E416 PolarHBondContact NE-O 2.79Å; R372-E416 PolarHBondContact NH2-O 3.25Å; R372-T441 CarbonylContact O-C 3.55Å; R372-T441 VanDerWaalsContact O-CA 3.29Å; R372-T441 WeakPolarHBondContact O-CA 3.4Å; R372-I442 PolarHBondContact N-O 3.14Å; R372-I442 PolarHBondContact O-N 3.24Å; R372-P444 HydrophobicContact CG-CG 4.09Å
373	I	90.4	Very high	86.9	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	124.2	-178.7	-61.6	154.2	0	0	0	107.8	I365 V367 V375 T414 S415 L420 Y439	I365-I373 HydrophobicContact CB-CD1 4.02Å; I365-I373 HydrophobicContact CB-CG2 4.47Å; I365-I373 HydrophobicContact CD1-CG2 4.27Å; I365-I373 HydrophobicContact CG2-CD1 3.74Å; I365-I373 HydrophobicContact CG2-CG1 4.06Å; I365-I373 HydrophobicContact CG2-CG2 3.89Å; I365-I373 WeakPolarHBondContact O-CD1 3.47Å; V367-I373 HydrophobicContact CB-CG1 4.25Å; V367-I373 HydrophobicContact CG1-CD1 4.13Å; V367-I373 HydrophobicContact CG1-CG1 3.57Å; V367-I373 HydrophobicContact CG2-CD1 4.11Å; V367-I373 HydrophobicContact CG2-CG1 3.64Å; I373-V375 HydrophobicContact CG2-CG2 4.07Å; I373-T414 CarbonylContact O-C 3.55Å; I373-T414 WeakPolarHBondContact O-CA 3.03Å; I373-S415 WeakPolarHBondContact CB-OG 3.31Å; I373-S415 PolarHBondContact N-OG 3.2Å; I373-S415 PolarHBondContact O-N 3.26Å; I373-S415 PolarHBondContact O-OG 3.17Å; I373-L420 HydrophobicContact CB-CB 4.39Å; I373-L420 HydrophobicContact CB-CD2 4.37Å; I373-L420 HydrophobicContact CD1-CB 3.6Å; I373-L420 HydrophobicContact CG2-CB 4.48Å; I373-L420 HydrophobicContact CG2-CD2 3.94Å; I373-Y439 HydrophobicContact CG2-CD2 4.2Å; I373-Y439 HydrophobicContact CG2-CG 4.49Å
374	R	87.4	Confident	86.3	Confident	36 Å²	36	43.6 Å²	43.6	14%	0.136	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	121.6	167.9	-177.3	-170	-74.1	141.3	2.2	108.6	V412 L413 Y439 K440 I442 P447 G457 C459	R374-V412 HydrophobicContact CG-CG1 3.44Å; R374-V412 VanDerWaalsContact CG-CG1 3.44Å; R374-L413 CarbonylContact C-O 3.58Å; R374-L413 WeakPolarHBondContact CA-O 3.42Å; R374-Y439 CarbonylContact O-C 3.59Å; R374-Y439 WeakPolarHBondContact O-CA 3.22Å; R374-K440 PolarHBondContact N-O 3.24Å; R374-K440 PolarHBondContact O-N 2.77Å; R374-I442 HydrophobicContact CB-CD1 3.39Å; R374-I442 HydrophobicContact CB-CG1 4.08Å; R374-I442 HydrophobicContact CG-CD1 4.17Å; R374-I442 VanDerWaalsContact NE-CD1 3.31Å; R374-I442 VanDerWaalsContact NH2-CD1 3.31Å; R374-P447 PolarHBondContact NH2-O 3.33Å; R374-G457 PolarHBondContact NE-O 3.04Å; R374-G457 PolarHBondContact NH2-O 2.96Å; R374-C459 PolarHBondContact NH1-SG 2.93Å; R374-C459 PolarHBondContact NH2-SG 2.59Å
375	V	91.1	Very high	85.5	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	132.7	173.7	-177.8	0	0	0	0	108.6	F346 I365 I373 F377 V412 L413 L420 A437 T438	F346-V375 HydrophobicContact CE1-CG1 3.98Å; F346-V375 HydrophobicContact CZ-CG1 3.88Å; I365-V375 HydrophobicContact CD1-CG2 4.12Å; I373-V375 HydrophobicContact CG2-CG2 4.07Å; V375-F377 HydrophobicContact CG1-CD2 4.04Å; V375-F377 HydrophobicContact CG1-CE2 3.62Å; V375-F377 HydrophobicContact CG1-CZ 4.26Å; V375-V412 CarbonylContact O-C 3.58Å; V375-V412 VanDerWaalsContact O-CA 3.29Å; V375-V412 WeakPolarHBondContact O-CA 3.47Å; V375-L413 PolarHBondContact N-O 2.9Å; V375-L413 PolarHBondContact O-N 3.09Å; V375-L420 HydrophobicContact CG2-CD2 3.55Å; V375-A437 HydrophobicContact CG1-CB 4.26Å; V375-T438 CarbonylContact C-O 3.59Å; V375-T438 WeakPolarHBondContact CA-O 3.36Å
376	T	84	Confident	84.6	Confident	35 Å²	35	50.8 Å²	50.8	22%	0.215	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	121.5	173	-46.6	0	0	0	0	107.8	N378 V412 A437 T438	T376-N378 WeakPolarHBondContact CG2-OD1 3.25Å; T376-N378 PolarHBondContact O-OD1 2.71Å; T376-V412 HydrophobicContact CG2-CG2 3.77Å; T376-A437 CarbonylContact O-C 3.56Å; T376-A437 VanDerWaalsContact O-CA 3.22Å; T376-A437 WeakPolarHBondContact O-CA 3.44Å; T376-T438 PolarHBondContact N-O 2.85Å; T376-T438 PolarHBondContact O-N 3.01Å
377	F	83.4	Confident	84.1	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	110.3	168.2	-77.6	-90.9	0	0	0	108.2	F346 V375 F380 V397 I399 P410 F411 F435 A437	F346-F377 HydrophobicContact CZ-CZ 4.44Å; V375-F377 HydrophobicContact CG1-CD2 4.04Å; V375-F377 HydrophobicContact CG1-CE2 3.62Å; V375-F377 HydrophobicContact CG1-CZ 4.26Å; F377-F380 AromaticContact CD1-CD2 3.71Å; F377-F380 HydrophobicContact CD1-CD2 3.71Å; F377-F380 HydrophobicContact CD1-CE2 4.36Å; F377-F380 HydrophobicContact CE1-CD2 4.12Å; F377-F380 HydrophobicContact CE1-CE2 4.32Å; F377-F380 HydrophobicContact CG-CD2 4.31Å; F377-V397 HydrophobicContact CZ-CG1 4.16Å; F377-I399 HydrophobicContact CE2-CD1 3.52Å; F377-I399 HydrophobicContact CZ-CD1 3.61Å; F377-P410 WeakPolarHBondContact O-CA 3.25Å; F377-P410 WeakPolarHBondContact O-CB 3.23Å; F377-F411 HydrophobicContact CB-CD1 3.95Å; F377-F411 HydrophobicContact CB-CE1 3.71Å; F377-F411 HydrophobicContact CB-CE2 4.3Å; F377-F411 HydrophobicContact CB-CG 4.35Å; F377-F411 HydrophobicContact CB-CZ 3.9Å; F377-F411 HydrophobicContact CD1-CZ 4.34Å; F377-F411 HydrophobicContact CD2-CD2 4.14Å; F377-F411 HydrophobicContact CD2-CE1 4.26Å; F377-F411 AromaticContact CD2-CE2 3.47Å; F377-F411 HydrophobicContact CD2-CE2 3.47Å; F377-F411 VanDerWaalsContact CD2-CE2 3.47Å; F377-F411 AromaticContact CD2-CZ 3.54Å; F377-F411 HydrophobicContact CD2-CZ 3.54Å; F377-F411 HydrophobicContact CE2-CE2 4.08Å; F377-F411 HydrophobicContact CE2-CZ 4.18Å; F377-F411 AromaticContact CG-CE1 3.96Å; F377-F411 HydrophobicContact CG-CE1 3.96Å; F377-F411 HydrophobicContact CG-CE2 4.03Å; F377-F411 AromaticContact CG-CZ 3.64Å; F377-F411 HydrophobicContact CG-CZ 3.64Å; F377-F411 PolarHBondContact N-O 3.19Å; F377-F411 PolarHBondContact O-N 2.85Å; F377-F435 HydrophobicContact CD1-CB 4.09Å; F377-F435 HydrophobicContact CD1-CD2 4.14Å; F377-F435 HydrophobicContact CD1-CG 4.3Å; F377-F435 HydrophobicContact CE1-CB 4.23Å; F377-F435 AromaticContact CE1-CD2 3.63Å; F377-F435 HydrophobicContact CE1-CD2 3.63Å; F377-F435 HydrophobicContact CE1-CE2 4.15Å; F377-F435 AromaticContact CE1-CG 3.94Å; F377-F435 HydrophobicContact CE1-CG 3.94Å; F377-A437 HydrophobicContact CD1-CB 3.87Å; F377-A437 HydrophobicContact CE1-CB 3.85Å; F377-A437 HydrophobicContact CG-CB 4.31Å; F377-A437 HydrophobicContact CZ-CB 4.23Å
378	N	76.9	Confident	83.5	Confident	75 Å²	75	51.9 Å²	51.9	40%	0.401	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-29.1	-177.3	-61	21.3	0	0	0	110.9	T376 H436 T438	T376-N378 WeakPolarHBondContact CG2-OD1 3.25Å; T376-N378 PolarHBondContact O-OD1 2.71Å; N378-H436 PolarHBondContact N-O 2.69Å; N378-T438 PolarHBondContact OD1-OG1 3.03Å
379	M	80.3	Confident	83.2	Confident	53 Å²	53	51.1 Å²	51.1	26%	0.261	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	138.8	167.6	-174.3	-156.1	-71.5	0	0	108.6	Y351 R381 K433 F435 H436	Y351-M379 HydrophobicContact CE2-CE 4.1Å; Y351-M379 HydrophobicContact CE2-SD 3.99Å; Y351-M379 VanDerWaalsContact OH-CE 3.24Å; Y351-M379 WeakPolarHBondContact OH-CE 3.34Å; M379-R381 HydrophobicContact CG-CG 4.21Å; M379-R381 HydrophobicContact SD-CG 4.35Å; M379-K433 HydrophobicContact CE-CD 4.37Å; M379-K433 HydrophobicContact SD-CB 4.15Å; M379-K433 HydrophobicContact SD-CD 4.26Å; M379-F435 VanDerWaalsContact O-CA 3.28Å; M379-F435 WeakPolarHBondContact O-CA 3.32Å; M379-F435 VanDerWaalsContact O-CB 3.29Å; M379-F435 WeakPolarHBondContact O-CB 3.33Å; M379-H436 HydrophobicContact CB-CB 4.45Å; M379-H436 PolarHBondContact N-O 2.86Å; M379-H436 PolarHBondContact O-N 3.25Å; M379-H436 VanDerWaalsContact O-N 3.14Å
380	F	81.7	Confident	83	Confident	3 Å²	3	54.7 Å²	54.7	1%	0.013	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	109	172.1	-164.5	-79.2	0	0	0	111.3	F377 M382 V397 Y404 G406 K408 F411 F435	F377-F380 AromaticContact CD1-CD2 3.71Å; F377-F380 HydrophobicContact CD1-CD2 3.71Å; F377-F380 HydrophobicContact CD1-CE2 4.36Å; F377-F380 HydrophobicContact CE1-CD2 4.12Å; F377-F380 HydrophobicContact CE1-CE2 4.32Å; F377-F380 HydrophobicContact CG-CD2 4.31Å; F380-M382 HydrophobicContact CE1-CB 4.4Å; F380-M382 HydrophobicContact CE1-CG 4.37Å; F380-M382 HydrophobicContact CE1-SD 4.06Å; F380-M382 HydrophobicContact CE2-SD 4.17Å; F380-M382 HydrophobicContact CZ-CG 4.46Å; F380-M382 HydrophobicContact CZ-SD 3.59Å; F380-M382 VanDerWaalsContact CZ-SD 3.59Å; F380-V397 HydrophobicContact CE2-CB 3.98Å; F380-V397 HydrophobicContact CE2-CG2 3.84Å; F380-V397 HydrophobicContact CZ-CB 4.24Å; F380-V397 HydrophobicContact CZ-CG2 4.18Å; F380-Y404 WeakPolarHBondContact CZ-O 3.06Å; F380-G406 WeakPolarHBondContact CD1-O 3.27Å; F380-G406 WeakPolarHBondContact CE1-O 3.3Å; F380-K408 HydrophobicContact CB-CB 4.27Å; F380-K408 HydrophobicContact CD1-CB 4.1Å; F380-K408 HydrophobicContact CD1-CD 4.48Å; F380-K408 HydrophobicContact CD1-CG 4.02Å; F380-K408 HydrophobicContact CG-CB 4.43Å; F380-K408 PolarHBondContact O-N 2.87Å; F380-F411 HydrophobicContact CB-CE1 3.99Å; F380-F411 AromaticContact CD2-CE1 3.81Å; F380-F411 HydrophobicContact CD2-CE1 3.81Å; F380-F411 AromaticContact CD2-CZ 3.97Å; F380-F411 HydrophobicContact CD2-CZ 3.97Å; F380-F411 HydrophobicContact CE2-CZ 4.33Å; F380-F411 AromaticContact CG-CE1 3.88Å; F380-F411 HydrophobicContact CG-CE1 3.88Å; F380-F411 HydrophobicContact CG-CZ 4.46Å; F380-F435 HydrophobicContact CD2-CB 4.08Å
381	R	81.6	Confident	83.1	Confident	72 Å²	72	61.2 Å²	61.2	27%	0.272	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	95.5	-173.8	-72.9	-170.5	64.7	88.1	19.7	111.1	M379 E407 D432 K433 G434	M379-R381 HydrophobicContact CG-CG 4.21Å; M379-R381 HydrophobicContact SD-CG 4.35Å; R381-E407 HydrophobicContact CG-CG 4.42Å; R381-E407 IonicContact CZ-OE1 3.48Å; R381-E407 IonicContact NH1-OE1 3.48Å; R381-E407 PolarHBondContact NH1-OE1 3.01Å; R381-E407 IonicContact NH1-OE2 3.72Å; R381-D432 IonicContact CZ-OD1 3.94Å; R381-D432 IonicContact CZ-OD2 3.67Å; R381-D432 IonicContact NE-OD1 3.49Å; R381-D432 PolarHBondContact NE-OD1 2.78Å; R381-D432 VanDerWaalsContact NE-OD1 3.14Å; R381-D432 IonicContact NE-OD2 2.64Å; R381-D432 PolarHBondContact NE-OD2 3.14Å; R381-D432 IonicContact NH2-OD1 2.81Å; R381-D432 IonicContact NH2-OD2 2.64Å; R381-D432 PolarHBondContact NH2-OD2 3.22Å; R381-D432 WeakPolarHBondContact O-CB 3.03Å; R381-K433 HydrophobicContact CB-CB 4.43Å; R381-G434 CarbonylContact C-O 3.52Å; R381-G434 WeakPolarHBondContact CA-O 3.39Å; R381-G434 PolarHBondContact N-O 3.22Å; R381-G434 WeakPolarHBondContact O-CA 3.47Å; R381-G434 PolarHBondContact O-N 3.06Å
382	M	87.9	Confident	83.1	Confident	5 Å²	5	59.8 Å²	59.8	3%	0.025	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	67.3	176.7	-65.3	171.2	60.4	0	0	108.3	Y355 F380 D395 V397 G406 F424 F435	Y355-M382 HydrophobicContact CE1-CG 3.9Å; F380-M382 HydrophobicContact CE1-CB 4.4Å; F380-M382 HydrophobicContact CE1-CG 4.37Å; F380-M382 HydrophobicContact CE1-SD 4.06Å; F380-M382 HydrophobicContact CE2-SD 4.17Å; F380-M382 HydrophobicContact CZ-CG 4.46Å; F380-M382 HydrophobicContact CZ-SD 3.59Å; F380-M382 VanDerWaalsContact CZ-SD 3.59Å; M382-D395 HydrophobicContact CE-CB 3.74Å; M382-V397 HydrophobicContact CE-CG2 4.48Å; M382-V397 HydrophobicContact SD-CG2 3.87Å; M382-G406 PolarHBondContact N-O 2.89Å; M382-G406 CarbonylContact O-C 3.22Å; M382-G406 WeakPolarHBondContact O-CA 3.34Å; M382-G406 PolarHBondContact O-N 3.46Å; M382-F424 HydrophobicContact CE-CD2 3.8Å; M382-F424 HydrophobicContact CE-CE2 3.5Å; M382-F424 HydrophobicContact SD-CD2 4.21Å; M382-F424 HydrophobicContact SD-CE2 4.03Å; M382-F435 HydrophobicContact SD-CD1 4.37Å
383	K	81.8	Confident	83.1	Confident	125 Å²	125	59.8 Å²	59.8	54%	0.543	31%	0.312	S	S	.	.			trans	-109	104.7	-166.2	-175.1	-168.7	173.1	-174.3	0	112.3
384	E	83.6	Confident	83	Confident	27 Å²	27	62 Å²	62	13%	0.126	32%	0.322	C	S	.	.			trans	-91.2	141.8	169.9	-179.8	171.2	-169.7	0	0	111.5	V387 K394 Y430	E384-V387 HydrophobicContact CB-CB 4.23Å; E384-V387 HydrophobicContact CB-CG2 4.29Å; E384-V387 VanDerWaalsContact CD-CG2 3.47Å; E384-V387 HydrophobicContact CG-CB 4.17Å; E384-V387 HydrophobicContact CG-CG2 3.7Å; E384-K394 WeakPolarHBondContact OE1-CE 3.37Å; E384-K394 IonicContact OE1-NZ 3.31Å; E384-K394 PolarHBondContact OE1-NZ 3.06Å; E384-K394 WeakPolarHBondContact OE2-CB 3.48Å; E384-K394 VanDerWaalsContact OE2-CD 3.31Å; E384-K394 WeakPolarHBondContact OE2-CD 3.47Å; E384-K394 WeakPolarHBondContact OE2-CG 3.34Å; E384-K394 IonicContact OE2-NZ 3.26Å; E384-Y430 HydrophobicContact CG-CD2 4.2Å; E384-Y430 HydrophobicContact CG-CG 4Å
385	P	79.4	Confident	83.3	Confident	82 Å²	82	60.6 Å²	60.6	53%	0.532	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	144.7	172.1	-21	34	0	0	0	112.7	V387 Y430	P385-V387 PolarHBondContact O-N 3.1Å; P385-Y430 VanDerWaalsContact CD-CD1 3.42Å; P385-Y430 HydrophobicContact CG-CD1 3.97Å; P385-Y430 HydrophobicContact CG-CE1 3.81Å
386	G	75.1	Confident	83.4	Confident	94 Å²	94	62.1 Å²	62.1	97%	0.969	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	-12.2	173.3	0	0	0	0	0	117.2
387	V	82	Confident	84	Confident	37 Å²	37	60.5 Å²	60.5	22%	0.224	31%	0.313	C	S	.	.			trans	-88.5	139.4	-169.7	164.5	0	0	0	0	114.6	E384 P385 V389 K394	E384-V387 HydrophobicContact CB-CB 4.23Å; E384-V387 HydrophobicContact CB-CG2 4.29Å; E384-V387 VanDerWaalsContact CD-CG2 3.47Å; E384-V387 HydrophobicContact CG-CB 4.17Å; E384-V387 HydrophobicContact CG-CG2 3.7Å; P385-V387 PolarHBondContact O-N 3.1Å; V387-V389 PolarHBondContact O-N 3.06Å; V387-V389 VanDerWaalsContact O-N 3.16Å; V387-K394 HydrophobicContact CG1-CB 4.24Å; V387-K394 HydrophobicContact CG1-CG 4.19Å; V387-K394 HydrophobicContact CG2-CG 4.15Å
388	D	80.1	Confident	84.5	Confident	79 Å²	79	63.1 Å²	63.1	42%	0.422	33%	0.325	S	S	.	.			trans	-71.2	105.5	177.1	175.4	26.6	0	0	0	113.1	Q390 R391 C392	D388-Q390 PolarHBondContact O-N 3.01Å; D388-Q390 VanDerWaalsContact OD1-CB 3.31Å; D388-Q390 WeakPolarHBondContact OD1-CB 3.28Å; D388-Q390 PolarHBondContact OD1-N 2.89Å; D388-R391 HydrophobicContact CB-CB 4.49Å; D388-R391 PolarHBondContact O-N 2.98Å; D388-R391 VanDerWaalsContact OD2-CB 3.25Å; D388-R391 WeakPolarHBondContact OD2-CB 3.39Å; D388-R391 PolarHBondContact OD2-N 3.16Å; D388-C392 PolarHBondContact O-N 3.1Å
389	V	81	Confident	85.4	Confident	60 Å²	60	59.7 Å²	59.7	36%	0.364	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-9.6	178	-169.8	0	0	0	0	113.5	V387 C392 C405	V387-V389 PolarHBondContact O-N 3.06Å; V387-V389 VanDerWaalsContact O-N 3.16Å; V389-C392 PolarHBondContact O-SG 3.01Å; V389-C405 WeakPolarHBondContact CG1-O 3.44Å; V389-C405 PolarHBondContact O-SG 2.91Å
390	Q	79	Confident	85.8	Confident	172 Å²	172	61.9 Å²	61.9	80%	0.804	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-35.9	171.5	-56.6	-58.5	-33.4	0	0	112.3	D388	D388-Q390 PolarHBondContact O-N 3.01Å; D388-Q390 VanDerWaalsContact OD1-CB 3.31Å; D388-Q390 WeakPolarHBondContact OD1-CB 3.28Å; D388-Q390 PolarHBondContact OD1-N 2.89Å
391	R	82.8	Confident	86.1	Confident	191 Å²	191	64.9 Å²	64.9	72%	0.721	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-28.8	-175.5	-168.4	175.5	-179.6	172.4	-3.2	113.8	D388 H393	D388-R391 HydrophobicContact CB-CB 4.49Å; D388-R391 PolarHBondContact O-N 2.98Å; D388-R391 VanDerWaalsContact OD2-CB 3.25Å; D388-R391 WeakPolarHBondContact OD2-CB 3.39Å; D388-R391 PolarHBondContact OD2-N 3.16Å; R391-H393 VanDerWaalsContact C-N 3.34Å; R391-H393 HydrophobicContact CG-CB 4.2Å; R391-H393 PolarHBondContact O-N 3.44Å
392	C	86.9	Confident	86.6	Confident	7 Å²	7	67.3 Å²	67.3	5%	0.047	36%	0.362	C	S	.	.			trans	46.5	54.5	179.1	-59	0	0	0	0	113	D388 V389 Y396 K403 C405	D388-C392 PolarHBondContact O-N 3.1Å; V389-C392 PolarHBondContact O-SG 3.01Å; C392-Y396 WeakPolarHBondContact O-CD1 3.41Å; C392-K403 HydrophobicContact CB-CB 3.96Å; C392-C405 WeakPolarHBondContact CA-SG 3.2Å; C392-C405 HydrophobicContact CB-CB 3.63Å; C392-C405 WeakPolarHBondContact CB-SG 3.46Å; C392-C405 WeakPolarHBondContact SG-CB 3.29Å; C392-C405 PolarHBondContact SG-N 3.06Å; C392-C405 CovalentContact SG-SG 2.04Å; C392-C405 PolarHBondContact SG-SG 3.05Å
393	H	87.8	Confident	86.9	Confident	102 Å²	102	70.7 Å²	70.7	47%	0.472	38%	0.376	S	S	.	.			trans	-93.9	-12.7	-175.2	60.3	-83.8	0	0	0	114	R391	R391-H393 VanDerWaalsContact C-N 3.34Å; R391-H393 HydrophobicContact CG-CB 4.2Å; R391-H393 PolarHBondContact O-N 3.44Å
394	K	88.7	Confident	87.3	Confident	48 Å²	48	66.4 Å²	66.4	21%	0.209	36%	0.357	C	S	.	.	S	Bend	trans	-97.8	-126.6	174	-79.8	-80.6	-155.9	146.4	0	108.5	E384 V387 Y396 D427 S429	E384-K394 WeakPolarHBondContact OE1-CE 3.37Å; E384-K394 IonicContact OE1-NZ 3.31Å; E384-K394 PolarHBondContact OE1-NZ 3.06Å; E384-K394 WeakPolarHBondContact OE2-CB 3.48Å; E384-K394 VanDerWaalsContact OE2-CD 3.31Å; E384-K394 WeakPolarHBondContact OE2-CD 3.47Å; E384-K394 WeakPolarHBondContact OE2-CG 3.34Å; E384-K394 IonicContact OE2-NZ 3.26Å; V387-K394 HydrophobicContact CG1-CB 4.24Å; V387-K394 HydrophobicContact CG1-CG 4.19Å; V387-K394 HydrophobicContact CG2-CG 4.15Å; K394-Y396 WeakPolarHBondContact O-CD1 3.23Å; K394-Y396 WeakPolarHBondContact O-CE1 3.42Å; K394-D427 HydrophobicContact CD-CB 4.34Å; K394-D427 WeakPolarHBondContact CD-OD2 3.44Å; K394-D427 VanDerWaalsContact CE-OD2 3.3Å; K394-D427 WeakPolarHBondContact CE-OD2 3.24Å; K394-D427 IonicContact NZ-OD1 2.82Å; K394-D427 IonicContact NZ-OD2 2.67Å; K394-D427 PolarHBondContact NZ-OD2 3.16Å; K394-S429 PolarHBondContact NZ-OG 2.91Å
395	D	93.6	Very high	87.7	Confident	6 Å²	6	65.4 Å²	65.4	3%	0.032	35%	0.353	C	S	.	.	S	Bend	trans	-60.6	135.6	172.2	-76.7	10.3	0	0	0	113.6	Y355 M382 C405 H425 S426 D427	Y355-D395 WeakPolarHBondContact CE2-OD2 3.3Å; Y355-D395 PolarHBondContact OH-OD2 3.42Å; M382-D395 HydrophobicContact CE-CB 3.74Å; D395-C405 WeakPolarHBondContact O-CB 3.48Å; D395-H425 WeakPolarHBondContact CA-O 3.35Å; D395-S426 WeakPolarHBondContact OD1-CA 3.42Å; D395-D427 PolarHBondContact OD1-N 2.86Å
396	Y	94.6	Very high	88	Confident	31 Å²	31	61.7 Å²	61.7	12%	0.122	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	157.5	171.9	58.2	-90.3	0	0	0	114.6	C392 K394 E398 K403 Y404 H425	C392-Y396 WeakPolarHBondContact O-CD1 3.41Å; K394-Y396 WeakPolarHBondContact O-CD1 3.23Å; K394-Y396 WeakPolarHBondContact O-CE1 3.42Å; Y396-E398 HydrophobicContact CD2-CB 4.01Å; Y396-E398 HydrophobicContact CE2-CB 4.15Å; Y396-K403 HydrophobicContact CD1-CD 3.88Å; Y396-K403 HydrophobicContact CD2-CB 4.34Å; Y396-K403 HydrophobicContact CD2-CD 3.7Å; Y396-K403 HydrophobicContact CD2-CG 3.77Å; Y396-K403 HydrophobicContact CE1-CD 4.15Å; Y396-K403 HydrophobicContact CE2-CD 3.92Å; Y396-K403 HydrophobicContact CE2-CG 4.27Å; Y396-K403 HydrophobicContact CG-CB 4.26Å; Y396-K403 HydrophobicContact CG-CD 3.71Å; Y396-K403 HydrophobicContact CG-CG 4.04Å; Y396-K403 PolarHBondContact OH-NZ 3.02Å; Y396-K403 VanDerWaalsContact OH-NZ 3.17Å; Y396-Y404 CarbonylContact C-O 3.56Å; Y396-Y404 VanDerWaalsContact CA-O 3.27Å; Y396-Y404 WeakPolarHBondContact CA-O 3.48Å; Y396-Y404 WeakPolarHBondContact CB-O 3.36Å; Y396-H425 HydrophobicContact CD1-CB 4.28Å; Y396-H425 HydrophobicContact CD2-CB 4.17Å; Y396-H425 HydrophobicContact CE1-CB 3.77Å; Y396-H425 AromaticContact CE1-CD2 3.24Å; Y396-H425 WeakPolarHBondContact CE1-CD2 3.42Å; Y396-H425 AromaticContact CE1-CG 3.66Å; Y396-H425 HydrophobicContact CE2-CB 3.7Å; Y396-H425 HydrophobicContact CG-CB 4.41Å; Y396-H425 VanDerWaalsContact CZ-CB 3.41Å; Y396-H425 AromaticContact CZ-CD2 3.64Å; Y396-H425 AromaticContact CZ-CG 3.55Å; Y396-H425 PolarHBondContact N-O 2.91Å; Y396-H425 PolarHBondContact O-N 2.99Å
397	V	95.6	Very high	88.3	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.006	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	126.9	156	173.5	0	0	0	0	108.4	F377 F380 M382 I399 K403 Y404 V422 I423 F424 F435	F377-V397 HydrophobicContact CZ-CG1 4.16Å; F380-V397 HydrophobicContact CE2-CB 3.98Å; F380-V397 HydrophobicContact CE2-CG2 3.84Å; F380-V397 HydrophobicContact CZ-CB 4.24Å; F380-V397 HydrophobicContact CZ-CG2 4.18Å; M382-V397 HydrophobicContact CE-CG2 4.48Å; M382-V397 HydrophobicContact SD-CG2 3.87Å; V397-I399 HydrophobicContact CG1-CD1 3.98Å; V397-I399 HydrophobicContact CG1-CG1 3.98Å; V397-K403 CarbonylContact O-C 3.47Å; V397-K403 WeakPolarHBondContact O-CA 3.49Å; V397-Y404 PolarHBondContact N-O 2.95Å; V397-Y404 PolarHBondContact O-N 2.9Å; V397-V422 HydrophobicContact CG1-CG1 3.83Å; V397-I423 CarbonylContact C-O 3.59Å; V397-I423 VanDerWaalsContact CA-O 3.29Å; V397-I423 WeakPolarHBondContact CA-O 3.46Å; V397-F424 HydrophobicContact CG2-CB 4.32Å; V397-F424 HydrophobicContact CG2-CD2 3.97Å; V397-F435 HydrophobicContact CG2-CD1 3.72Å; V397-F435 HydrophobicContact CG2-CE1 3.52Å; V397-F435 HydrophobicContact CG2-CZ 4.27Å
398	E	95.1	Very high	87.9	Confident	56 Å²	56	61.3 Å²	61.3	26%	0.262	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	126.5	173.3	-167.5	175.1	133.8	0	0	111.1	Y396 K402 K403 I423	Y396-E398 HydrophobicContact CD2-CB 4.01Å; Y396-E398 HydrophobicContact CE2-CB 4.15Å; E398-K402 WeakPolarHBondContact CA-O 3.22Å; E398-K403 HydrophobicContact CB-CG 4.17Å; E398-K403 HydrophobicContact CG-CG 4.06Å; E398-K403 WeakPolarHBondContact OE2-CE 3.46Å; E398-I423 HydrophobicContact CB-CB 4.41Å; E398-I423 PolarHBondContact N-O 2.98Å; E398-I423 PolarHBondContact O-N 2.6Å
399	I	94.1	Very high	87.5	Confident	3 Å²	3	62.5 Å²	62.5	2%	0.015	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	132.5	176.7	-64.1	177.8	0	0	0	108.3	F377 V397 G401 K402 L413 L420 V422	F377-I399 HydrophobicContact CE2-CD1 3.52Å; F377-I399 HydrophobicContact CZ-CD1 3.61Å; V397-I399 HydrophobicContact CG1-CD1 3.98Å; V397-I399 HydrophobicContact CG1-CG1 3.98Å; I399-G401 PolarHBondContact O-N 3.01Å; I399-G401 VanDerWaalsContact O-N 3.16Å; I399-K402 PolarHBondContact N-O 3.28Å; I399-K402 PolarHBondContact O-N 2.94Å; I399-L413 HydrophobicContact CB-CD1 3.86Å; I399-L413 HydrophobicContact CD1-CD1 3.77Å; I399-L413 HydrophobicContact CG1-CD1 4.38Å; I399-L413 HydrophobicContact CG2-CD1 3.71Å; I399-L420 HydrophobicContact CG2-CD1 4.05Å; I399-V422 HydrophobicContact CD1-CB 4.35Å; I399-V422 HydrophobicContact CD1-CG1 3.76Å; I399-V422 HydrophobicContact CD1-CG2 3.86Å; I399-V422 HydrophobicContact CG1-CB 4.16Å; I399-V422 HydrophobicContact CG1-CG1 3.75Å; I399-V422 HydrophobicContact CG1-CG2 3.95Å
400	M	90.2	Very high	87.3	Confident	99 Å²	99	62.9 Å²	62.9	49%	0.488	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	35.1	178.9	-63.3	167.5	62	0	0	113.3	K402 E416 L420	M400-K402 VanDerWaalsContact C-N 3.31Å; M400-K402 PolarHBondContact O-N 3.33Å; M400-E416 HydrophobicContact CE-CG 4.08Å; M400-L420 HydrophobicContact CG-CD1 3.7Å; M400-L420 HydrophobicContact SD-CD1 4.22Å
401	G	87.6	Confident	87.1	Confident	65 Å²	65	56.3 Å²	56.3	67%	0.67	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	14.4	-178.9	0	0	0	0	0	115	I399	I399-G401 PolarHBondContact O-N 3.01Å; I399-G401 VanDerWaalsContact O-N 3.16Å
402	K	91.3	Very high	87.1	Confident	124 Å²	124	48 Å²	48	54%	0.539	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	133.3	174.8	179.8	172.1	173.3	179.8	0	111.2	E398 I399 M400 Y404	E398-K402 WeakPolarHBondContact CA-O 3.22Å; I399-K402 PolarHBondContact N-O 3.28Å; I399-K402 PolarHBondContact O-N 2.94Å; M400-K402 VanDerWaalsContact C-N 3.31Å; M400-K402 PolarHBondContact O-N 3.33Å; K402-Y404 HydrophobicContact CB-CE2 4.01Å; K402-Y404 HydrophobicContact CD-CE2 4.18Å; K402-Y404 HydrophobicContact CG-CD2 4.46Å; K402-Y404 HydrophobicContact CG-CE2 3.79Å; K402-Y404 VanDerWaalsContact O-CD2 3.31Å; K402-Y404 WeakPolarHBondContact O-CD2 3.31Å; K402-Y404 VanDerWaalsContact O-CE2 3.29Å; K402-Y404 WeakPolarHBondContact O-CE2 3.27Å
403	K	93.8	Very high	87	Confident	76 Å²	76	48.9 Å²	48.9	33%	0.33	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	147	177.5	-63.1	-173.1	171.3	-163.4	0	112.6	C392 Y396 V397 E398	C392-K403 HydrophobicContact CB-CB 3.96Å; Y396-K403 HydrophobicContact CD1-CD 3.88Å; Y396-K403 HydrophobicContact CD2-CB 4.34Å; Y396-K403 HydrophobicContact CD2-CD 3.7Å; Y396-K403 HydrophobicContact CD2-CG 3.77Å; Y396-K403 HydrophobicContact CE1-CD 4.15Å; Y396-K403 HydrophobicContact CE2-CD 3.92Å; Y396-K403 HydrophobicContact CE2-CG 4.27Å; Y396-K403 HydrophobicContact CG-CB 4.26Å; Y396-K403 HydrophobicContact CG-CD 3.71Å; Y396-K403 HydrophobicContact CG-CG 4.04Å; Y396-K403 PolarHBondContact OH-NZ 3.02Å; Y396-K403 VanDerWaalsContact OH-NZ 3.17Å; V397-K403 CarbonylContact O-C 3.47Å; V397-K403 WeakPolarHBondContact O-CA 3.49Å; E398-K403 HydrophobicContact CB-CG 4.17Å; E398-K403 HydrophobicContact CG-CG 4.06Å; E398-K403 WeakPolarHBondContact OE2-CE 3.46Å
404	Y	91.9	Very high	87	Confident	35 Å²	35	46 Å²	46	14%	0.137	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	130.2	179.2	-61.9	-102	0	0	0	108.6	F380 Y396 V397 K402 F411 L413	F380-Y404 WeakPolarHBondContact CZ-O 3.06Å; Y396-Y404 CarbonylContact C-O 3.56Å; Y396-Y404 VanDerWaalsContact CA-O 3.27Å; Y396-Y404 WeakPolarHBondContact CA-O 3.48Å; Y396-Y404 WeakPolarHBondContact CB-O 3.36Å; V397-Y404 PolarHBondContact N-O 2.95Å; V397-Y404 PolarHBondContact O-N 2.9Å; K402-Y404 HydrophobicContact CB-CE2 4.01Å; K402-Y404 HydrophobicContact CD-CE2 4.18Å; K402-Y404 HydrophobicContact CG-CD2 4.46Å; K402-Y404 HydrophobicContact CG-CE2 3.79Å; K402-Y404 VanDerWaalsContact O-CD2 3.31Å; K402-Y404 WeakPolarHBondContact O-CD2 3.31Å; K402-Y404 VanDerWaalsContact O-CE2 3.29Å; K402-Y404 WeakPolarHBondContact O-CE2 3.27Å; Y404-F411 HydrophobicContact CD1-CE2 4.01Å; Y404-F411 AromaticContact CD1-CZ 3.99Å; Y404-F411 HydrophobicContact CD1-CZ 3.99Å; Y404-F411 HydrophobicContact CE1-CE2 4.03Å; Y404-F411 HydrophobicContact CE1-CZ 4.48Å; Y404-F411 HydrophobicContact CG-CZ 4.41Å; Y404-L413 HydrophobicContact CE1-CD2 4.44Å; Y404-L413 HydrophobicContact CE2-CD1 4.11Å; Y404-L413 VanDerWaalsContact OH-CD2 3.27Å; Y404-L413 WeakPolarHBondContact OH-CD2 3.49Å
405	C	91.1	Very high	87.1	Confident	6 Å²	6	43.8 Å²	43.8	4%	0.041	24%	0.238	C	C	.	.			trans	-148.6	177.5	-177.4	64	0	0	0	0	111.3	V389 C392 D395 K408	V389-C405 WeakPolarHBondContact CG1-O 3.44Å; V389-C405 PolarHBondContact O-SG 2.91Å; C392-C405 WeakPolarHBondContact CA-SG 3.2Å; C392-C405 HydrophobicContact CB-CB 3.63Å; C392-C405 WeakPolarHBondContact CB-SG 3.46Å; C392-C405 WeakPolarHBondContact SG-CB 3.29Å; C392-C405 PolarHBondContact SG-N 3.06Å; C392-C405 CovalentContact SG-SG 2.04Å; C392-C405 PolarHBondContact SG-SG 3.05Å; D395-C405 WeakPolarHBondContact O-CB 3.48Å; C405-K408 WeakPolarHBondContact O-CE 2.91Å; C405-K408 PolarHBondContact O-NZ 2.92Å
406	G	86	Confident	86.7	Confident	4 Å²	4	50.7 Å²	50.7	4%	0.041	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	75.9	-164.6	-178.7	0	0	0	0	0	113.4	F380 M382	F380-G406 WeakPolarHBondContact CD1-O 3.27Å; F380-G406 WeakPolarHBondContact CE1-O 3.3Å; M382-G406 PolarHBondContact N-O 2.89Å; M382-G406 CarbonylContact O-C 3.22Å; M382-G406 WeakPolarHBondContact O-CA 3.34Å; M382-G406 PolarHBondContact O-N 3.46Å
407	E	80.6	Confident	86.4	Confident	62 Å²	62	52.2 Å²	52.2	29%	0.29	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	130.7	170.2	-173.8	167.6	-167.6	0	0	109.3	R381 N605	R381-E407 HydrophobicContact CG-CG 4.42Å; R381-E407 IonicContact CZ-OE1 3.48Å; R381-E407 IonicContact NH1-OE1 3.48Å; R381-E407 PolarHBondContact NH1-OE1 3.01Å; R381-E407 IonicContact NH1-OE2 3.72Å; E407-N605 PolarHBondContact OE1-ND2 2.85Å; E407-N605 PolarHBondContact OE2-ND2 3.38Å
408	K	74.3	Confident	86.1	Confident	60 Å²	60	55.2 Å²	55.2	26%	0.261	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	142	179.3	-58.1	-162.3	-171.3	-43.2	0	111.5	F380 C405 F411	F380-K408 HydrophobicContact CB-CB 4.27Å; F380-K408 HydrophobicContact CD1-CB 4.1Å; F380-K408 HydrophobicContact CD1-CD 4.48Å; F380-K408 HydrophobicContact CD1-CG 4.02Å; F380-K408 HydrophobicContact CG-CB 4.43Å; F380-K408 PolarHBondContact O-N 2.87Å; C405-K408 WeakPolarHBondContact O-CE 2.91Å; C405-K408 PolarHBondContact O-NZ 2.92Å; K408-F411 HydrophobicContact CB-CD1 4.36Å; K408-F411 HydrophobicContact CB-CE1 4.31Å; K408-F411 HydrophobicContact CD-CE1 4.41Å
409	P	71.3	Confident	86	Confident	104 Å²	104	56.9 Å²	56.9	68%	0.675	31%	0.309	S	S	*	.			trans	-65.1	161.7	170.5	31.1	-36.3	0	0	0	110.6	F411	P409-F411 WeakPolarHBondContact O-CD1 3.41Å; P409-F411 PolarHBondContact O-N 3.05Å
410	P	76.5	Confident	86	Confident	68 Å²	68	57.1 Å²	57.1	44%	0.442	31%	0.31	S	S	.	.			trans	-53.5	133.7	-178	-27.5	35.5	0	0	0	113.2	F377	F377-P410 WeakPolarHBondContact O-CA 3.25Å; F377-P410 WeakPolarHBondContact O-CB 3.23Å
411	F	75.2	Confident	86.2	Confident	34 Å²	34	57.4 Å²	57.4	15%	0.149	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	157.3	-174.9	68.7	-90.5	0	0	0	112.7	F377 F380 Y404 K408 P409 L413	F377-F411 HydrophobicContact CB-CD1 3.95Å; F377-F411 HydrophobicContact CB-CE1 3.71Å; F377-F411 HydrophobicContact CB-CE2 4.3Å; F377-F411 HydrophobicContact CB-CG 4.35Å; F377-F411 HydrophobicContact CB-CZ 3.9Å; F377-F411 HydrophobicContact CD1-CZ 4.34Å; F377-F411 HydrophobicContact CD2-CD2 4.14Å; F377-F411 HydrophobicContact CD2-CE1 4.26Å; F377-F411 AromaticContact CD2-CE2 3.47Å; F377-F411 HydrophobicContact CD2-CE2 3.47Å; F377-F411 VanDerWaalsContact CD2-CE2 3.47Å; F377-F411 AromaticContact CD2-CZ 3.54Å; F377-F411 HydrophobicContact CD2-CZ 3.54Å; F377-F411 HydrophobicContact CE2-CE2 4.08Å; F377-F411 HydrophobicContact CE2-CZ 4.18Å; F377-F411 AromaticContact CG-CE1 3.96Å; F377-F411 HydrophobicContact CG-CE1 3.96Å; F377-F411 HydrophobicContact CG-CE2 4.03Å; F377-F411 AromaticContact CG-CZ 3.64Å; F377-F411 HydrophobicContact CG-CZ 3.64Å; F377-F411 PolarHBondContact N-O 3.19Å; F377-F411 PolarHBondContact O-N 2.85Å; F380-F411 HydrophobicContact CB-CE1 3.99Å; F380-F411 AromaticContact CD2-CE1 3.81Å; F380-F411 HydrophobicContact CD2-CE1 3.81Å; F380-F411 AromaticContact CD2-CZ 3.97Å; F380-F411 HydrophobicContact CD2-CZ 3.97Å; F380-F411 HydrophobicContact CE2-CZ 4.33Å; F380-F411 AromaticContact CG-CE1 3.88Å; F380-F411 HydrophobicContact CG-CE1 3.88Å; F380-F411 HydrophobicContact CG-CZ 4.46Å; Y404-F411 HydrophobicContact CD1-CE2 4.01Å; Y404-F411 AromaticContact CD1-CZ 3.99Å; Y404-F411 HydrophobicContact CD1-CZ 3.99Å; Y404-F411 HydrophobicContact CE1-CE2 4.03Å; Y404-F411 HydrophobicContact CE1-CZ 4.48Å; Y404-F411 HydrophobicContact CG-CZ 4.41Å; K408-F411 HydrophobicContact CB-CD1 4.36Å; K408-F411 HydrophobicContact CB-CE1 4.31Å; K408-F411 HydrophobicContact CD-CE1 4.41Å; P409-F411 WeakPolarHBondContact O-CD1 3.41Å; P409-F411 PolarHBondContact O-N 3.05Å; F411-L413 HydrophobicContact CD2-CD2 4.33Å; F411-L413 HydrophobicContact CD2-CG 4.17Å; F411-L413 HydrophobicContact CE2-CD1 4.05Å; F411-L413 HydrophobicContact CE2-CD2 4.45Å; F411-L413 HydrophobicContact CE2-CG 4.08Å
412	V	82	Confident	86.6	Confident	16 Å²	16	54.3 Å²	54.3	10%	0.097	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	142.3	-179.1	166.2	0	0	0	0	111	R374 V375 T376 F458	R374-V412 HydrophobicContact CG-CG1 3.44Å; R374-V412 VanDerWaalsContact CG-CG1 3.44Å; V375-V412 CarbonylContact O-C 3.58Å; V375-V412 VanDerWaalsContact O-CA 3.29Å; V375-V412 WeakPolarHBondContact O-CA 3.47Å; T376-V412 HydrophobicContact CG2-CG2 3.77Å; V412-F458 HydrophobicContact CB-CD2 4.11Å; V412-F458 HydrophobicContact CB-CE1 4.14Å; V412-F458 HydrophobicContact CB-CE2 3.62Å; V412-F458 HydrophobicContact CB-CZ 3.64Å; V412-F458 HydrophobicContact CG2-CD1 4.07Å; V412-F458 HydrophobicContact CG2-CD2 4.42Å; V412-F458 HydrophobicContact CG2-CE1 3.44Å; V412-F458 VanDerWaalsContact CG2-CE1 3.44Å; V412-F458 HydrophobicContact CG2-CE2 3.87Å; V412-F458 HydrophobicContact CG2-CZ 3.33Å
413	L	86.8	Confident	86.8	Confident	26 Å²	26	50.7 Å²	50.7	14%	0.136	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	144.5	168.7	-56.4	177.2	0	0	0	108.9	R374 V375 I399 Y404 F411	R374-L413 CarbonylContact C-O 3.58Å; R374-L413 WeakPolarHBondContact CA-O 3.42Å; V375-L413 PolarHBondContact N-O 2.9Å; V375-L413 PolarHBondContact O-N 3.09Å; I399-L413 HydrophobicContact CB-CD1 3.86Å; I399-L413 HydrophobicContact CD1-CD1 3.77Å; I399-L413 HydrophobicContact CG1-CD1 4.38Å; I399-L413 HydrophobicContact CG2-CD1 3.71Å; Y404-L413 HydrophobicContact CE1-CD2 4.44Å; Y404-L413 HydrophobicContact CE2-CD1 4.11Å; Y404-L413 VanDerWaalsContact OH-CD2 3.27Å; Y404-L413 WeakPolarHBondContact OH-CD2 3.49Å; F411-L413 HydrophobicContact CD2-CD2 4.33Å; F411-L413 HydrophobicContact CD2-CG 4.17Å; F411-L413 HydrophobicContact CE2-CD1 4.05Å; F411-L413 HydrophobicContact CE2-CD2 4.45Å; F411-L413 HydrophobicContact CE2-CG 4.08Å
414	T	87.1	Confident	86.9	Confident	41 Å²	41	47 Å²	47	25%	0.252	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	127	176.5	-54.7	0	0	0	0	109.7	I373	I373-T414 CarbonylContact O-C 3.55Å; I373-T414 WeakPolarHBondContact O-CA 3.03Å
415	S	89.8	Confident	87	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.014	25%	0.252	C	S	.	.			trans	-70.5	154	-179.9	69.5	0	0	0	0	112.5	R372 I373 S417	R372-S415 WeakPolarHBondContact CD-O 3.32Å; R372-S415 WeakPolarHBondContact CG-O 3.23Å; I373-S415 WeakPolarHBondContact CB-OG 3.31Å; I373-S415 PolarHBondContact N-OG 3.2Å; I373-S415 PolarHBondContact O-N 3.26Å; I373-S415 PolarHBondContact O-OG 3.17Å; S415-S417 WeakPolarHBondContact CB-O 3.48Å; S415-S417 PolarHBondContact OG-O 2.98Å
416	E	86.3	Confident	87.2	Confident	152 Å²	152	47.3 Å²	47.3	71%	0.71	25%	0.251	S	S	*	.	S	Bend	trans	-80.7	-31.7	171.1	-60.6	-172.9	169.6	0	0	111.9	R372 M400	R372-E416 PolarHBondContact NE-O 2.79Å; R372-E416 PolarHBondContact NH2-O 3.25Å; M400-E416 HydrophobicContact CE-CG 4.08Å
417	S	88.3	Confident	87.5	Confident	62 Å²	62	48.8 Å²	48.8	43%	0.434	26%	0.258	S	S	.	.	S	Bend	trans	-106.4	166.5	-174	42.9	0	0	0	0	113.8	S415 E419	S415-S417 WeakPolarHBondContact CB-O 3.48Å; S415-S417 PolarHBondContact OG-O 2.98Å; S417-E419 PolarHBondContact O-N 2.96Å; S417-E419 PolarHBondContact OG-O 2.87Å
418	N	89.1	Confident	88	Confident	64 Å²	64	50.7 Å²	50.7	34%	0.342	27%	0.267	S	S	.	.	S	Bend	trans	-81.8	5	172.2	73.7	-76.7	0	0	0	113.9	V367 N371	V367-N418 HydrophobicContact CG2-CB 3.94Å; V367-N418 WeakPolarHBondContact CG2-O 3.32Å; V367-N418 PolarHBondContact N-O 2.95Å; V367-N418 PolarHBondContact O-ND2 2.88Å; N371-N418 VanDerWaalsContact O-CA 3.25Å; N371-N418 WeakPolarHBondContact O-CA 3.45Å; N371-N418 WeakPolarHBondContact O-CB 3.4Å
419	E	92.6	Very high	88.7	Confident	91 Å²	91	47.9 Å²	47.9	43%	0.425	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	133.9	172.4	178.1	165.7	178.9	0	0	107.6	T364 I365 K366 S417	T364-E419 HydrophobicContact CG2-CG 4.42Å; I365-E419 CarbonylContact O-C 3.54Å; I365-E419 WeakPolarHBondContact O-CA 3.48Å; K366-E419 WeakPolarHBondContact CE-OE1 3.13Å; K366-E419 WeakPolarHBondContact CE-OE2 3.27Å; K366-E419 HydrophobicContact CG-CB 4.42Å; K366-E419 HydrophobicContact CG-CG 4.03Å; K366-E419 IonicContact NZ-OE1 2.81Å; K366-E419 PolarHBondContact NZ-OE1 2.93Å; K366-E419 IonicContact NZ-OE2 2.73Å; S417-E419 PolarHBondContact O-N 2.96Å; S417-E419 PolarHBondContact OG-O 2.87Å
420	L	94	Very high	89.7	Confident	8 Å²	8	44.8 Å²	44.8	4%	0.042	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	128.2	179.4	179.7	66.9	0	0	0	109.5	I365 I373 V375 I399 M400	I365-L420 PolarHBondContact N-O 2.79Å; I365-L420 PolarHBondContact O-N 3.43Å; I373-L420 HydrophobicContact CB-CB 4.39Å; I373-L420 HydrophobicContact CB-CD2 4.37Å; I373-L420 HydrophobicContact CD1-CB 3.6Å; I373-L420 HydrophobicContact CG2-CB 4.48Å; I373-L420 HydrophobicContact CG2-CD2 3.94Å; V375-L420 HydrophobicContact CG2-CD2 3.55Å; I399-L420 HydrophobicContact CG2-CD1 4.05Å; M400-L420 HydrophobicContact CG-CD1 3.7Å; M400-L420 HydrophobicContact SD-CD1 4.22Å
421	Q	95	Very high	90.4	Very high	105 Å²	105	41.8 Å²	41.8	49%	0.491	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	134.6	172.5	-164.8	176.7	8.4	0	0	109.5	T362 W363 I423	T362-Q421 HydrophobicContact CG2-CG 3.85Å; T362-Q421 VanDerWaalsContact CG2-NE2 3.3Å; W363-Q421 WeakPolarHBondContact O-CA 3.41Å; Q421-I423 HydrophobicContact CG-CG1 4.16Å
422	V	95.9	Very high	91.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	125	170.7	-178.7	0	0	0	0	107.2	F346 T362 W363 I365 V397 I399	F346-V422 HydrophobicContact CE2-CB 4.42Å; F346-V422 HydrophobicContact CE2-CG1 3.99Å; F346-V422 HydrophobicContact CE2-CG2 4.43Å; F346-V422 HydrophobicContact CZ-CG1 4.39Å; F346-V422 HydrophobicContact CZ-CG2 4.13Å; T362-V422 WeakPolarHBondContact CA-O 3.23Å; W363-V422 HydrophobicContact CB-CB 4.36Å; W363-V422 HydrophobicContact CE3-CB 4.27Å; W363-V422 HydrophobicContact CE3-CG1 4.05Å; W363-V422 PolarHBondContact N-O 3.13Å; W363-V422 PolarHBondContact O-N 2.04Å; I365-V422 HydrophobicContact CD1-CG2 4.38Å; V397-V422 HydrophobicContact CG1-CG1 3.83Å; I399-V422 HydrophobicContact CD1-CB 4.35Å; I399-V422 HydrophobicContact CD1-CG1 3.76Å; I399-V422 HydrophobicContact CD1-CG2 3.86Å; I399-V422 HydrophobicContact CG1-CB 4.16Å; I399-V422 HydrophobicContact CG1-CG1 3.75Å; I399-V422 HydrophobicContact CG1-CG2 3.95Å
423	I	95.5	Very high	91.4	Very high	48 Å²	48	41.8 Å²	41.8	25%	0.246	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.5	178.5	-58.1	170.1	0	0	0	107.8	C361 V397 E398 Q421	C361-I423 CarbonylContact O-C 3.48Å; C361-I423 WeakPolarHBondContact O-CA 3.37Å; V397-I423 CarbonylContact C-O 3.59Å; V397-I423 VanDerWaalsContact CA-O 3.29Å; V397-I423 WeakPolarHBondContact CA-O 3.46Å; E398-I423 HydrophobicContact CB-CB 4.41Å; E398-I423 PolarHBondContact N-O 2.98Å; E398-I423 PolarHBondContact O-N 2.6Å; Q421-I423 HydrophobicContact CG-CG1 4.16Å
424	F	95.8	Very high	91.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	141.8	168.3	162.7	-95.8	0	0	0	109.3	P349 Y355 R359 N360 C361 W363 M382 V397 F435	P349-F424 HydrophobicContact CG-CE1 4.33Å; Y355-F424 HydrophobicContact CD1-CE2 4.44Å; Y355-F424 HydrophobicContact CD1-CZ 4.23Å; Y355-F424 HydrophobicContact CD2-CE2 4.42Å; Y355-F424 AromaticContact CD2-CZ 3.65Å; Y355-F424 HydrophobicContact CD2-CZ 3.65Å; Y355-F424 HydrophobicContact CE2-CZ 4.1Å; Y355-F424 HydrophobicContact CG-CE2 4.36Å; Y355-F424 AromaticContact CG-CZ 3.71Å; Y355-F424 HydrophobicContact CG-CZ 3.71Å; R359-F424 HydrophobicContact CB-CE1 4.44Å; N360-F424 WeakPolarHBondContact CA-O 3.24Å; C361-F424 HydrophobicContact CB-CB 4.24Å; C361-F424 HydrophobicContact CB-CD1 4.05Å; C361-F424 PolarHBondContact N-O 3.23Å; C361-F424 PolarHBondContact O-N 2.67Å; W363-F424 HydrophobicContact CH2-CB 3.89Å; W363-F424 HydrophobicContact CZ3-CB 3.57Å; M382-F424 HydrophobicContact CE-CD2 3.8Å; M382-F424 HydrophobicContact CE-CE2 3.5Å; M382-F424 HydrophobicContact SD-CD2 4.21Å; M382-F424 HydrophobicContact SD-CE2 4.03Å; V397-F424 HydrophobicContact CG2-CB 4.32Å; V397-F424 HydrophobicContact CG2-CD2 3.97Å; F424-F435 HydrophobicContact CB-CE1 4.19Å; F424-F435 HydrophobicContact CB-CZ 4.49Å; F424-F435 HydrophobicContact CD2-CD1 4.41Å; F424-F435 AromaticContact CD2-CE1 3.7Å; F424-F435 HydrophobicContact CD2-CE1 3.7Å; F424-F435 HydrophobicContact CE2-CE1 4.38Å; F424-F435 HydrophobicContact CG-CE1 4.12Å
425	H	94.9	Very high	91.6	Very high	44 Å²	44	38.6 Å²	38.6	20%	0.204	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	123	178.8	-178.8	80.8	0	0	0	108.7	R359 N360 D395 Y396	R359-H425 CarbonylContact O-C 3.53Å; R359-H425 WeakPolarHBondContact O-CA 3.41Å; N360-H425 PolarHBondContact OD1-ND1 2.88Å; D395-H425 WeakPolarHBondContact CA-O 3.35Å; Y396-H425 HydrophobicContact CD1-CB 4.28Å; Y396-H425 HydrophobicContact CD2-CB 4.17Å; Y396-H425 HydrophobicContact CE1-CB 3.77Å; Y396-H425 AromaticContact CE1-CD2 3.24Å; Y396-H425 WeakPolarHBondContact CE1-CD2 3.42Å; Y396-H425 AromaticContact CE1-CG 3.66Å; Y396-H425 HydrophobicContact CE2-CB 3.7Å; Y396-H425 HydrophobicContact CG-CB 4.41Å; Y396-H425 VanDerWaalsContact CZ-CB 3.41Å; Y396-H425 AromaticContact CZ-CD2 3.64Å; Y396-H425 AromaticContact CZ-CG 3.55Å; Y396-H425 PolarHBondContact N-O 2.91Å; Y396-H425 PolarHBondContact O-N 2.99Å
426	S	94.5	Very high	91.6	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.014	20%	0.2	C	C	.	.			trans	-108.2	140	160.7	52.4	0	0	0	0	110.8	P356 A358 R359 D395	P356-S426 PolarHBondContact O-OG 2.84Å; A358-S426 WeakPolarHBondContact CA-O 3.23Å; R359-S426 PolarHBondContact N-O 3.34Å; R359-S426 PolarHBondContact N-OG 3.33Å; R359-S426 PolarHBondContact O-N 2.83Å; R359-S426 PolarHBondContact O-OG 3.03Å; D395-S426 WeakPolarHBondContact OD1-CA 3.42Å
427	D	92.1	Very high	91.8	Very high	36 Å²	36	33.5 Å²	33.5	19%	0.193	17%	0.167	C	C	.	.			trans	-82.7	-174	172.3	107.5	-39.4	0	0	0	111.1	P357 A358 K394 D395 S429	P357-D427 CarbonylContact C-O 3.54Å; P357-D427 WeakPolarHBondContact CA-O 3.26Å; A358-D427 PolarHBondContact N-O 2.96Å; K394-D427 HydrophobicContact CD-CB 4.34Å; K394-D427 WeakPolarHBondContact CD-OD2 3.44Å; K394-D427 VanDerWaalsContact CE-OD2 3.3Å; K394-D427 WeakPolarHBondContact CE-OD2 3.24Å; K394-D427 IonicContact NZ-OD1 2.82Å; K394-D427 IonicContact NZ-OD2 2.67Å; K394-D427 PolarHBondContact NZ-OD2 3.16Å; D395-D427 PolarHBondContact OD1-N 2.86Å; D427-S429 PolarHBondContact O-N 3.05Å; D427-S429 WeakPolarHBondContact OD1-CA 3.32Å; D427-S429 WeakPolarHBondContact OD1-CB 3.33Å; D427-S429 PolarHBondContact OD1-N 3.25Å; D427-S429 PolarHBondContact OD1-OG 3.08Å; D427-S429 PolarHBondContact OD2-OG 3.16Å
428	E	90.5	Very high	91.9	Very high	102 Å²	102	32 Å²	32	48%	0.477	16%	0.155	S	C	.	.	S	Bend	trans	-74.2	2.8	-176	-55.6	-170.2	172	0	0	113.8	A358	A358-E428 HydrophobicContact CB-CG 4.27Å
429	S	90.6	Very high	92.1	Very high	1 Å²	1	29 Å²	29	1%	0.007	14%	0.139	C	C	.	.	S	Bend	trans	-135.7	-171	-169.2	75.8	0	0	0	0	114.8	S280 A282 K394 D427 T431	S280-S429 WeakPolarHBondContact O-CB 3.27Å; A282-S429 CarbonylContact O-C 3.47Å; K394-S429 PolarHBondContact NZ-OG 2.91Å; D427-S429 PolarHBondContact O-N 3.05Å; D427-S429 WeakPolarHBondContact OD1-CA 3.32Å; D427-S429 WeakPolarHBondContact OD1-CB 3.33Å; D427-S429 PolarHBondContact OD1-N 3.25Å; D427-S429 PolarHBondContact OD1-OG 3.08Å; D427-S429 PolarHBondContact OD2-OG 3.16Å; S429-T431 WeakPolarHBondContact O-CG2 3.43Å; S429-T431 PolarHBondContact O-N 2.78Å
430	Y	90.8	Very high	92	Very high	39 Å²	39	28.6 Å²	28.6	15%	0.153	14%	0.136	C	C	.	.			trans	6.3	95.7	174.4	-76.5	-80.7	0	0	0	118.5	D279 A282 V285 E384 P385	D279-Y430 PolarHBondContact OD2-OH 3.36Å; D279-Y430 VanDerWaalsContact OD2-OH 3.05Å; A282-Y430 HydrophobicContact CB-CE2 3.96Å; A282-Y430 WeakPolarHBondContact O-CA 3.29Å; A282-Y430 PolarHBondContact O-N 3.24Å; V285-Y430 HydrophobicContact CG2-CE1 4.36Å; E384-Y430 HydrophobicContact CG-CD2 4.2Å; E384-Y430 HydrophobicContact CG-CG 4Å; P385-Y430 VanDerWaalsContact CD-CD1 3.42Å; P385-Y430 HydrophobicContact CG-CD1 3.97Å; P385-Y430 HydrophobicContact CG-CE1 3.81Å
431	T	92.2	Very high	91.7	Very high	4 Å²	4	29.7 Å²	29.7	3%	0.025	14%	0.143	C	C	.	.			trans	-104.5	155.5	-180	69.3	0	0	0	0	112.5	I283 F354 Y355 P357 S429	I283-T431 HydrophobicContact CG2-CG2 4.06Å; I283-T431 WeakPolarHBondContact CG2-OG1 3.47Å; I283-T431 PolarHBondContact O-N 2.93Å; I283-T431 PolarHBondContact O-OG1 3.07Å; F354-T431 WeakPolarHBondContact CD2-O 3.34Å; F354-T431 VanDerWaalsContact CE2-O 3.23Å; F354-T431 WeakPolarHBondContact CE2-O 3.42Å; Y355-T431 HydrophobicContact CD2-CG2 3.81Å; Y355-T431 HydrophobicContact CE2-CG2 3.66Å; Y355-T431 WeakPolarHBondContact O-CB 3.34Å; Y355-T431 VanDerWaalsContact O-CG2 3.27Å; Y355-T431 WeakPolarHBondContact O-CG2 3.43Å; P357-T431 HydrophobicContact CG-CG2 3.92Å; S429-T431 WeakPolarHBondContact O-CG2 3.43Å; S429-T431 PolarHBondContact O-N 2.78Å
432	D	90.2	Very high	91.2	Very high	12 Å²	12	25.4 Å²	25.4	6%	0.064	12%	0.123	C	C	.	.			trans	-134.4	-170	171.7	-168.7	-13.9	0	0	0	107.9	F354 Y355 R381 G434	F354-D432 VanDerWaalsContact CA-O 3.28Å; F354-D432 WeakPolarHBondContact CA-O 3.47Å; Y355-D432 WeakPolarHBondContact CD1-O 3.39Å; Y355-D432 WeakPolarHBondContact CE1-O 3.23Å; Y355-D432 PolarHBondContact N-O 3.26Å; R381-D432 IonicContact CZ-OD1 3.94Å; R381-D432 IonicContact CZ-OD2 3.67Å; R381-D432 IonicContact NE-OD1 3.49Å; R381-D432 PolarHBondContact NE-OD1 2.78Å; R381-D432 VanDerWaalsContact NE-OD1 3.14Å; R381-D432 IonicContact NE-OD2 2.64Å; R381-D432 PolarHBondContact NE-OD2 3.14Å; R381-D432 IonicContact NH2-OD1 2.81Å; R381-D432 IonicContact NH2-OD2 2.64Å; R381-D432 PolarHBondContact NH2-OD2 3.22Å; R381-D432 WeakPolarHBondContact O-CB 3.03Å; D432-G434 PolarHBondContact O-N 3.44Å
433	K	87.4	Confident	90.5	Very high	39 Å²	39	29.4 Å²	29.4	17%	0.17	15%	0.145	C	C	.	.			trans	-60.1	-14.3	-179.6	-68.1	-172.1	168.2	-165.3	0	115.7	N294 S348 Y351 F354 M379 R381 F435	N294-K433 WeakPolarHBondContact OD1-CE 3.45Å; N294-K433 PolarHBondContact OD1-NZ 3.24Å; S348-K433 PolarHBondContact OG-O 2.78Å; Y351-K433 WeakPolarHBondContact CD2-O 3.44Å; F354-K433 HydrophobicContact CD1-CG 4.08Å; F354-K433 HydrophobicContact CE1-CG 3.84Å; M379-K433 HydrophobicContact CE-CD 4.37Å; M379-K433 HydrophobicContact SD-CB 4.15Å; M379-K433 HydrophobicContact SD-CD 4.26Å; R381-K433 HydrophobicContact CB-CB 4.43Å; K433-F435 PolarHBondContact O-N 2.94Å
434	G	89.9	Confident	89.5	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	72	-125.1	-176.2	0	0	0	0	0	112	S348 Y355 R381 D432	S348-G434 WeakPolarHBondContact OG-CA 3.27Å; Y355-G434 VanDerWaalsContact CD1-CA 3.42Å; Y355-G434 VanDerWaalsContact CE1-CA 3.49Å; R381-G434 CarbonylContact C-O 3.52Å; R381-G434 WeakPolarHBondContact CA-O 3.39Å; R381-G434 PolarHBondContact N-O 3.22Å; R381-G434 WeakPolarHBondContact O-CA 3.47Å; R381-G434 PolarHBondContact O-N 3.06Å; D432-G434 PolarHBondContact O-N 3.44Å
435	F	89.3	Confident	88.3	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	154.5	-171.3	64.8	-93.7	0	0	0	113.7	F346 T347 S348 W363 F377 M379 F380 M382 V397 F424 K433 A437	F346-F435 AromaticContact CD2-CE2 3.82Å; F346-F435 HydrophobicContact CD2-CE2 3.82Å; F346-F435 AromaticContact CE2-CE2 3.77Å; F346-F435 HydrophobicContact CE2-CE2 3.77Å; F346-F435 HydrophobicContact CE2-CZ 4.46Å; T347-F435 VanDerWaalsContact CA-O 3.29Å; T347-F435 WeakPolarHBondContact CA-O 3.29Å; T347-F435 WeakPolarHBondContact CB-O 3.29Å; S348-F435 PolarHBondContact N-O 2.86Å; S348-F435 PolarHBondContact OG-N 2.73Å; S348-F435 PolarHBondContact OG-O 3.19Å; W363-F435 HydrophobicContact CH2-CE1 4.49Å; W363-F435 AromaticContact CH2-CZ 3.71Å; W363-F435 HydrophobicContact CH2-CZ 3.71Å; W363-F435 HydrophobicContact CZ2-CZ 4.47Å; W363-F435 AromaticContact CZ3-CZ 3.79Å; W363-F435 HydrophobicContact CZ3-CZ 3.79Å; F377-F435 HydrophobicContact CD1-CB 4.09Å; F377-F435 HydrophobicContact CD1-CD2 4.14Å; F377-F435 HydrophobicContact CD1-CG 4.3Å; F377-F435 HydrophobicContact CE1-CB 4.23Å; F377-F435 AromaticContact CE1-CD2 3.63Å; F377-F435 HydrophobicContact CE1-CD2 3.63Å; F377-F435 HydrophobicContact CE1-CE2 4.15Å; F377-F435 AromaticContact CE1-CG 3.94Å; F377-F435 HydrophobicContact CE1-CG 3.94Å; M379-F435 VanDerWaalsContact O-CA 3.28Å; M379-F435 WeakPolarHBondContact O-CA 3.32Å; M379-F435 VanDerWaalsContact O-CB 3.29Å; M379-F435 WeakPolarHBondContact O-CB 3.33Å; F380-F435 HydrophobicContact CD2-CB 4.08Å; M382-F435 HydrophobicContact SD-CD1 4.37Å; V397-F435 HydrophobicContact CG2-CD1 3.72Å; V397-F435 HydrophobicContact CG2-CE1 3.52Å; V397-F435 HydrophobicContact CG2-CZ 4.27Å; F424-F435 HydrophobicContact CB-CE1 4.19Å; F424-F435 HydrophobicContact CB-CZ 4.49Å; F424-F435 HydrophobicContact CD2-CD1 4.41Å; F424-F435 AromaticContact CD2-CE1 3.7Å; F424-F435 HydrophobicContact CD2-CE1 3.7Å; F424-F435 HydrophobicContact CE2-CE1 4.38Å; F424-F435 HydrophobicContact CG-CE1 4.12Å; K433-F435 PolarHBondContact O-N 2.94Å; F435-A437 HydrophobicContact CD2-CB 4.29Å
436	H	88.7	Confident	87.1	Confident	46 Å²	46	36 Å²	36	21%	0.213	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	122.9	166.3	175.3	66.4	0	0	0	109	T347 Y351 N378 M379	T347-H436 HydrophobicContact CG2-CB 4.17Å; T347-H436 VanDerWaalsContact CG2-ND1 3.33Å; T347-H436 WeakPolarHBondContact CG2-ND1 3.25Å; Y351-H436 HydrophobicContact CE1-CB 4.3Å; Y351-H436 HydrophobicContact CE2-CB 4.18Å; N378-H436 PolarHBondContact N-O 2.69Å; M379-H436 HydrophobicContact CB-CB 4.45Å; M379-H436 PolarHBondContact N-O 2.86Å; M379-H436 PolarHBondContact O-N 3.25Å; M379-H436 VanDerWaalsContact O-N 3.14Å
437	A	89.9	Confident	85.8	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	150.2	-175.5	0	0	0	0	0	111.7	N345 F346 V375 T376 F377 F435	N345-A437 CarbonylContact C-O 3.49Å; N345-A437 VanDerWaalsContact CA-O 3.31Å; N345-A437 WeakPolarHBondContact CA-O 3.26Å; N345-A437 WeakPolarHBondContact CB-O 3.2Å; F346-A437 HydrophobicContact CD1-CB 4.1Å; F346-A437 HydrophobicContact CD2-CB 4.39Å; F346-A437 HydrophobicContact CE1-CB 3.65Å; F346-A437 HydrophobicContact CE2-CB 3.96Å; F346-A437 HydrophobicContact CG-CB 4.44Å; F346-A437 HydrophobicContact CZ-CB 3.57Å; F346-A437 PolarHBondContact N-O 3.33Å; F346-A437 PolarHBondContact O-N 2.9Å; F346-A437 VanDerWaalsContact O-O 3.05Å; V375-A437 HydrophobicContact CG1-CB 4.26Å; T376-A437 CarbonylContact O-C 3.56Å; T376-A437 VanDerWaalsContact O-CA 3.22Å; T376-A437 WeakPolarHBondContact O-CA 3.44Å; F377-A437 HydrophobicContact CD1-CB 3.87Å; F377-A437 HydrophobicContact CE1-CB 3.85Å; F377-A437 HydrophobicContact CG-CB 4.31Å; F377-A437 HydrophobicContact CZ-CB 4.23Å; F435-A437 HydrophobicContact CD2-CB 4.29Å
438	T	91.4	Very high	84.6	Confident	31 Å²	31	36.5 Å²	36.5	19%	0.19	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	145.3	174.2	56.9	0	0	0	0	109.2	D344 N345 V375 T376 N378	D344-T438 CarbonylContact O-C 3.56Å; D344-T438 WeakPolarHBondContact O-CA 3.12Å; N345-T438 HydrophobicContact CB-CG2 4.04Å; V375-T438 CarbonylContact C-O 3.59Å; V375-T438 WeakPolarHBondContact CA-O 3.36Å; T376-T438 PolarHBondContact N-O 2.85Å; T376-T438 PolarHBondContact O-N 3.01Å; N378-T438 PolarHBondContact OD1-OG1 3.03Å
439	Y	93.1	Very high	83.5	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	152.9	174	79.9	-93.2	0	0	0	112.2	L339 N341 E343 D344 F346 I365 I373 R374	L339-Y439 HydrophobicContact CB-CE1 3.88Å; L339-Y439 WeakPolarHBondContact CB-OH 3.41Å; L339-Y439 HydrophobicContact CD1-CD1 4.45Å; L339-Y439 HydrophobicContact CD1-CE1 3.81Å; L339-Y439 HydrophobicContact CG-CE1 4.47Å; N341-Y439 PolarHBondContact N-OH 2.87Å; N341-Y439 WeakPolarHBondContact O-CE2 3.37Å; N341-Y439 PolarHBondContact O-OH 3.06Å; E343-Y439 VanDerWaalsContact CA-O 3.3Å; E343-Y439 WeakPolarHBondContact CA-O 3.36Å; D344-Y439 HydrophobicContact CB-CD1 4.24Å; D344-Y439 HydrophobicContact CB-CE1 3.42Å; D344-Y439 VanDerWaalsContact CB-CE1 3.42Å; D344-Y439 PolarHBondContact N-O 3.45Å; D344-Y439 VanDerWaalsContact N-O 3.12Å; D344-Y439 PolarHBondContact O-N 3.09Å; F346-Y439 HydrophobicContact CD1-CD1 4.23Å; F346-Y439 HydrophobicContact CE1-CD1 4.42Å; I365-Y439 HydrophobicContact CD1-CD1 3.91Å; I365-Y439 HydrophobicContact CD1-CE1 4.47Å; I365-Y439 HydrophobicContact CD1-CG 3.98Å; I365-Y439 HydrophobicContact CG1-CD1 4.37Å; I365-Y439 HydrophobicContact CG1-CE1 4.45Å; I365-Y439 HydrophobicContact CG2-CD1 4.36Å; I365-Y439 HydrophobicContact CG2-CD2 3.63Å; I365-Y439 HydrophobicContact CG2-CE1 4.23Å; I365-Y439 HydrophobicContact CG2-CE2 3.49Å; I365-Y439 VanDerWaalsContact CG2-CE2 3.49Å; I365-Y439 HydrophobicContact CG2-CG 4.09Å; I373-Y439 HydrophobicContact CG2-CD2 4.2Å; I373-Y439 HydrophobicContact CG2-CG 4.49Å; R374-Y439 CarbonylContact O-C 3.59Å; R374-Y439 WeakPolarHBondContact O-CA 3.22Å
440	K	90.8	Very high	82.4	Confident	83 Å²	83	39.1 Å²	39.1	36%	0.361	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	143.6	178.7	-62.9	174.6	-176	-97.2	0	109.9	D342 E343 R374	D342-K440 CarbonylContact O-C 3.56Å; D342-K440 WeakPolarHBondContact O-CA 3.46Å; E343-K440 HydrophobicContact CB-CG 4.26Å; E343-K440 HydrophobicContact CG-CG 3.94Å; E343-K440 WeakPolarHBondContact OE1-CE 3.21Å; E343-K440 IonicContact OE1-NZ 2.66Å; E343-K440 PolarHBondContact OE1-NZ 2.81Å; E343-K440 IonicContact OE2-NZ 3.62Å; E343-K440 PolarHBondContact OE2-NZ 3.13Å; R374-K440 PolarHBondContact N-O 3.24Å; R374-K440 PolarHBondContact O-N 2.77Å
441	T	87.8	Confident	81.7	Confident	32 Å²	32	41.8 Å²	41.8	20%	0.196	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	150.2	169.9	105.5	0	0	0	0	111.8	D342 V367 N371 R372	D342-T441 HydrophobicContact CB-CG2 3.85Å; D342-T441 WeakPolarHBondContact O-CG2 3.29Å; D342-T441 PolarHBondContact O-N 3.48Å; D342-T441 WeakPolarHBondContact OD1-CG2 3.43Å; V367-T441 HydrophobicContact CB-CG2 3.77Å; V367-T441 HydrophobicContact CG1-CG2 3.34Å; N371-T441 PolarHBondContact ND2-OG1 2.92Å; R372-T441 CarbonylContact O-C 3.55Å; R372-T441 VanDerWaalsContact O-CA 3.29Å; R372-T441 WeakPolarHBondContact O-CA 3.4Å
442	I	83.6	Confident	81	Confident	15 Å²	15	44.6 Å²	44.6	8%	0.077	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	130.7	-173.6	-58.8	-160.5	0	0	0	109.6	N371 R372 R374 P444 P447	N371-I442 CarbonylContact C-O 3.11Å; N371-I442 WeakPolarHBondContact CA-O 3.47Å; R372-I442 PolarHBondContact N-O 3.14Å; R372-I442 PolarHBondContact O-N 3.24Å; R374-I442 HydrophobicContact CB-CD1 3.39Å; R374-I442 HydrophobicContact CB-CG1 4.08Å; R374-I442 HydrophobicContact CG-CD1 4.17Å; R374-I442 VanDerWaalsContact NE-CD1 3.31Å; R374-I442 VanDerWaalsContact NH2-CD1 3.31Å; I442-P444 WeakPolarHBondContact O-CD 3.48Å; I442-P447 VanDerWaalsContact CG2-CA 3.5Å; I442-P447 HydrophobicContact CG2-CB 3.83Å
443	N	81.7	Confident	80.4	Confident	84 Å²	84	46.8 Å²	46.8	45%	0.449	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-79.6	121.3	172	-172.3	-28.7	0	0	0	109.5	A445 D446 P447	N443-A445 PolarHBondContact O-N 2.79Å; N443-A445 VanDerWaalsContact O-N 3.1Å; N443-A445 WeakPolarHBondContact OD1-CB 3.25Å; N443-A445 PolarHBondContact OD1-N 3Å; N443-D446 CarbonylContact O-C 3.41Å; N443-D446 PolarHBondContact O-N 3.39Å; N443-D446 VanDerWaalsContact O-N 3.07Å; N443-P447 WeakPolarHBondContact O-CA 3.43Å
444	P	73.6	Confident	79.8	Confident	61 Å²	61	45.3 Å²	45.3	40%	0.396	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.4	178.1	-23.8	34.7	0	0	0	114.4	G370 R372 I442	G370-P444 WeakPolarHBondContact O-CD 3.05Å; G370-P444 VanDerWaalsContact O-CG 3.29Å; G370-P444 WeakPolarHBondContact O-CG 3.49Å; R372-P444 HydrophobicContact CG-CG 4.09Å; I442-P444 WeakPolarHBondContact O-CD 3.48Å
445	A	71.4	Confident	79	Confident	90 Å²	90	50.2 Å²	50.2	74%	0.744	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-21.2	176.2	0	0	0	0	0	113.9	N443	N443-A445 PolarHBondContact O-N 2.79Å; N443-A445 VanDerWaalsContact O-N 3.1Å; N443-A445 WeakPolarHBondContact OD1-CB 3.25Å; N443-A445 PolarHBondContact OD1-N 3Å
446	D	69	Low	77.8	Confident	80 Å²	80	52.8 Å²	52.8	43%	0.428	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-144.6	81.5	170	-173.3	4.1	0	0	0	109.7	N443 C448 P449	N443-D446 CarbonylContact O-C 3.41Å; N443-D446 PolarHBondContact O-N 3.39Å; N443-D446 VanDerWaalsContact O-N 3.07Å; D446-C448 PolarHBondContact O-N 3.36Å; D446-P449 WeakPolarHBondContact OD1-CA 3.15Å; D446-P449 WeakPolarHBondContact OD2-CA 3.4Å
447	P	67.4	Low	76.6	Confident	45 Å²	45	51.4 Å²	51.4	29%	0.292	32%	0.318	S	S	.	.	S	Bend	trans	-74.8	-8.1	-171.1	-17.6	32.1	0	0	0	114.7	R374 I442 N443 T453 C459	R374-P447 PolarHBondContact NH2-O 3.33Å; I442-P447 VanDerWaalsContact CG2-CA 3.5Å; I442-P447 HydrophobicContact CG2-CB 3.83Å; N443-P447 WeakPolarHBondContact O-CA 3.43Å; P447-T453 HydrophobicContact CB-CG2 3.93Å; P447-T453 HydrophobicContact CG-CG2 4.21Å; P447-C459 PolarHBondContact O-SG 3.35Å; P447-C459 VanDerWaalsContact O-SG 3.37Å
448	C	68.2	Low	75.5	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.02	33%	0.332	C	S	.	.	S	Bend	trans	-152.4	76	-177.1	-66.7	0	0	0	0	110.3	D446 G450 Q451 T453 C459	D446-C448 PolarHBondContact O-N 3.36Å; C448-G450 PolarHBondContact O-N 3.09Å; C448-Q451 HydrophobicContact CB-CB 3.88Å; C448-Q451 PolarHBondContact O-N 2.77Å; C448-T453 HydrophobicContact CB-CG2 3.9Å; C448-T453 WeakPolarHBondContact SG-CG2 3.33Å; C448-C459 VanDerWaalsContact CA-SG 3.52Å; C448-C459 HydrophobicContact CB-CB 3.78Å; C448-C459 WeakPolarHBondContact CB-SG 3.43Å; C448-C459 WeakPolarHBondContact SG-CA 3.16Å; C448-C459 WeakPolarHBondContact SG-CB 3.19Å; C448-C459 CovalentContact SG-SG 2.03Å; C448-C459 PolarHBondContact SG-SG 3.24Å
449	P	66.8	Low	74.7	Confident	98 Å²	98	54.7 Å²	54.7	64%	0.636	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	113.1	-173.9	-28.8	36.3	0	0	0	113.2	D446 Q451	D446-P449 WeakPolarHBondContact OD1-CA 3.15Å; D446-P449 WeakPolarHBondContact OD2-CA 3.4Å; P449-Q451 VanDerWaalsContact C-N 3.27Å; P449-Q451 PolarHBondContact O-N 2.96Å
450	G	66.7	Low	73.6	Confident	59 Å²	59	55.2 Å²	55.2	61%	0.608	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	-15.7	-176.7	0	0	0	0	0	116.1	C448 K462	C448-G450 PolarHBondContact O-N 3.09Å; G450-K462 WeakPolarHBondContact O-CD 3.27Å; G450-K462 WeakPolarHBondContact O-CE 3.43Å; G450-K462 PolarHBondContact O-NZ 2.62Å
451	Q	77.6	Confident	72.8	Confident	96 Å²	96	54.8 Å²	54.8	45%	0.449	34%	0.337	S	S	.	.	S	Bend	trans	-102	-174.8	-176	-82.6	176.5	-16.8	0	0	112.6	C448 P449 C459 I460 K462	C448-Q451 HydrophobicContact CB-CB 3.88Å; C448-Q451 PolarHBondContact O-N 2.77Å; P449-Q451 VanDerWaalsContact C-N 3.27Å; P449-Q451 PolarHBondContact O-N 2.96Å; Q451-C459 HydrophobicContact CB-CB 4.33Å; Q451-C459 VanDerWaalsContact OE1-CB 3.25Å; Q451-I460 VanDerWaalsContact CB-O 3.25Å; Q451-I460 WeakPolarHBondContact CB-O 3.39Å; Q451-K462 WeakPolarHBondContact O-CE 3.37Å
452	W	76.5	Confident	72.1	Confident	63 Å²	63	59.2 Å²	59.2	24%	0.239	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	147.4	173.9	-169.9	72.2	0	0	0	111.9	C459 I460 K462 K465 S476 D477	W452-C459 WeakPolarHBondContact O-CA 3.37Å; W452-I460 HydrophobicContact CB-CG1 4.36Å; W452-I460 HydrophobicContact CE3-CD1 3.84Å; W452-I460 HydrophobicContact CE3-CG1 3.96Å; W452-I460 HydrophobicContact CZ3-CD1 4.33Å; W452-I460 PolarHBondContact N-O 2.73Å; W452-I460 PolarHBondContact O-N 2.97Å; W452-K462 HydrophobicContact CB-CG 4.1Å; W452-K465 HydrophobicContact CD2-CB 4.23Å; W452-K465 HydrophobicContact CD2-CD 4.01Å; W452-K465 HydrophobicContact CD2-CG 3.98Å; W452-K465 HydrophobicContact CE3-CB 4.2Å; W452-K465 HydrophobicContact CE3-CD 4.45Å; W452-K465 HydrophobicContact CE3-CG 3.95Å; W452-K465 HydrophobicContact CH2-CD 4.26Å; W452-K465 HydrophobicContact CH2-CG 4.1Å; W452-K465 HydrophobicContact CZ2-CD 3.81Å; W452-K465 VanDerWaalsContact CZ2-CE 3.48Å; W452-K465 HydrophobicContact CZ2-CG 4.13Å; W452-K465 HydrophobicContact CZ3-CG 4.01Å; W452-S476 WeakPolarHBondContact CH2-O 3.27Å; W452-D477 HydrophobicContact CZ3-CB 4.15Å
453	T	77.7	Confident	71.4	Confident	58 Å²	58	66.8 Å²	66.8	36%	0.356	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	117.2	-173.5	51.2	0	0	0	0	112.4	P447 C448	P447-T453 HydrophobicContact CB-CG2 3.93Å; P447-T453 HydrophobicContact CG-CG2 4.21Å; C448-T453 HydrophobicContact CB-CG2 3.9Å; C448-T453 WeakPolarHBondContact SG-CG2 3.33Å
454	C	75.8	Confident	70.7	Confident	7 Å²	7	68.5 Å²	68.5	5%	0.047	39%	0.386	C	S	.	.			trans	-70.8	158.2	167.2	-57.1	0	0	0	0	111.8	N456 G457 F458 C472	C454-N456 WeakPolarHBondContact CB-OD1 3.49Å; C454-G457 WeakPolarHBondContact O-CA 3.33Å; C454-G457 PolarHBondContact O-N 3.37Å; C454-F458 HydrophobicContact CB-CB 4Å; C454-F458 WeakPolarHBondContact CB-O 3.38Å; C454-F458 PolarHBondContact N-O 2.74Å; C454-C472 HydrophobicContact CB-CB 3.53Å; C454-C472 WeakPolarHBondContact CB-SG 3.22Å; C454-C472 WeakPolarHBondContact SG-CA 3.02Å; C454-C472 WeakPolarHBondContact SG-CB 2.98Å; C454-C472 CovalentContact SG-SG 2.02Å; C454-C472 PolarHBondContact SG-SG 3.03Å
455	S	72.6	Confident	70.7	Confident	103 Å²	103	69.4 Å²	69.4	72%	0.72	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-33.7	-178.8	-47.7	0	0	0	0	112.7	G457 S476	S455-G457 PolarHBondContact O-N 3.17Å; S455-S476 WeakPolarHBondContact CB-OG 3.49Å; S455-S476 PolarHBondContact N-OG 3.24Å; S455-S476 VanDerWaalsContact OG-CB 3.29Å; S455-S476 WeakPolarHBondContact OG-CB 3.49Å; S455-S476 PolarHBondContact OG-OG 3.27Å
456	N	62.7	Low	70.4	Confident	55 Å²	55	67.1 Å²	67.1	29%	0.294	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-3.2	166.8	67.9	2	0	0	0	114	C454 F458 C472 D474	C454-N456 WeakPolarHBondContact CB-OD1 3.49Å; N456-F458 PolarHBondContact OD1-N 3.36Å; N456-C472 PolarHBondContact ND2-O 3.49Å; N456-D474 HydrophobicContact CB-CB 4.02Å; N456-D474 WeakPolarHBondContact CB-OD2 3.48Å; N456-D474 VanDerWaalsContact CG-CG 3.47Å; N456-D474 PolarHBondContact N-OD2 3.36Å; N456-D474 WeakPolarHBondContact ND2-CB 3.44Å
457	G	64.9	Low	69.9	Low	16 Å²	16	65.1 Å²	65.1	17%	0.165	35%	0.352	C	S	.	.	S	Bend	trans	89.5	8	173.8	0	0	0	0	0	116.2	R374 C454 S455	R374-G457 PolarHBondContact NE-O 3.04Å; R374-G457 PolarHBondContact NH2-O 2.96Å; C454-G457 WeakPolarHBondContact O-CA 3.33Å; C454-G457 PolarHBondContact O-N 3.37Å; S455-G457 PolarHBondContact O-N 3.17Å
458	F	66.3	Low	69.2	Low	68 Å²	68	63.1 Å²	63.1	30%	0.298	34%	0.339	S	S	.	.			trans	-64.3	157.2	166.7	-84.8	-90.9	0	0	0	112.3	V412 C454 N456 C472	V412-F458 HydrophobicContact CB-CD2 4.11Å; V412-F458 HydrophobicContact CB-CE1 4.14Å; V412-F458 HydrophobicContact CB-CE2 3.62Å; V412-F458 HydrophobicContact CB-CZ 3.64Å; V412-F458 HydrophobicContact CG2-CD1 4.07Å; V412-F458 HydrophobicContact CG2-CD2 4.42Å; V412-F458 HydrophobicContact CG2-CE1 3.44Å; V412-F458 VanDerWaalsContact CG2-CE1 3.44Å; V412-F458 HydrophobicContact CG2-CE2 3.87Å; V412-F458 HydrophobicContact CG2-CZ 3.33Å; C454-F458 HydrophobicContact CB-CB 4Å; C454-F458 WeakPolarHBondContact CB-O 3.38Å; C454-F458 PolarHBondContact N-O 2.74Å; N456-F458 PolarHBondContact OD1-N 3.36Å; F458-C472 WeakPolarHBondContact CD2-O 3.46Å
459	C	74.2	Confident	68.4	Low	32 Å²	32	68.5 Å²	68.5	22%	0.216	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.5	169.7	-61	0	0	0	0	110.6	R374 P447 C448 Q451 W452	R374-C459 PolarHBondContact NH1-SG 2.93Å; R374-C459 PolarHBondContact NH2-SG 2.59Å; P447-C459 PolarHBondContact O-SG 3.35Å; P447-C459 VanDerWaalsContact O-SG 3.37Å; C448-C459 VanDerWaalsContact CA-SG 3.52Å; C448-C459 HydrophobicContact CB-CB 3.78Å; C448-C459 WeakPolarHBondContact CB-SG 3.43Å; C448-C459 WeakPolarHBondContact SG-CA 3.16Å; C448-C459 WeakPolarHBondContact SG-CB 3.19Å; C448-C459 CovalentContact SG-SG 2.03Å; C448-C459 PolarHBondContact SG-SG 3.24Å; Q451-C459 HydrophobicContact CB-CB 4.33Å; Q451-C459 VanDerWaalsContact OE1-CB 3.25Å; W452-C459 WeakPolarHBondContact O-CA 3.37Å
460	I	70.6	Confident	68	Low	12 Å²	12	66.8 Å²	66.8	6%	0.062	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	162.1	177	64.9	174.3	0	0	0	110.7	Q451 W452 R464 D471 D477	Q451-I460 VanDerWaalsContact CB-O 3.25Å; Q451-I460 WeakPolarHBondContact CB-O 3.39Å; W452-I460 HydrophobicContact CB-CG1 4.36Å; W452-I460 HydrophobicContact CE3-CD1 3.84Å; W452-I460 HydrophobicContact CE3-CG1 3.96Å; W452-I460 HydrophobicContact CZ3-CD1 4.33Å; W452-I460 PolarHBondContact N-O 2.73Å; W452-I460 PolarHBondContact O-N 2.97Å; I460-R464 HydrophobicContact CB-CB 4.22Å; I460-R464 HydrophobicContact CD1-CB 3.81Å; I460-R464 WeakPolarHBondContact CD1-O 3.37Å; I460-R464 HydrophobicContact CG1-CB 4.25Å; I460-D471 HydrophobicContact CD1-CB 4.19Å; I460-D471 HydrophobicContact CG2-CB 4.23Å; I460-D477 HydrophobicContact CD1-CB 3.98Å
461	D	73.5	Confident	67.9	Low	73 Å²	73	66.2 Å²	66.2	39%	0.39	33%	0.327	S	S	.	.			trans	-59.5	142.7	171.2	-170.2	-51.8	0	0	0	109.4	K463 R464	D461-K463 PolarHBondContact O-N 3.11Å; D461-K463 WeakPolarHBondContact OD1-CB 3.32Å; D461-K463 VanDerWaalsContact OD1-CG 3.32Å; D461-K463 WeakPolarHBondContact OD1-CG 3.32Å; D461-K463 PolarHBondContact OD1-N 3.48Å; D461-R464 HydrophobicContact CB-CG 4.43Å; D461-R464 WeakPolarHBondContact O-CB 3.3Å; D461-R464 PolarHBondContact O-N 3.37Å
462	K	72.8	Confident	67.2	Low	126 Å²	126	61.7 Å²	61.7	55%	0.548	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-58.3	-18.2	176.9	-71.5	172.7	177.6	160.1	0	113.4	G450 Q451 W452	G450-K462 WeakPolarHBondContact O-CD 3.27Å; G450-K462 WeakPolarHBondContact O-CE 3.43Å; G450-K462 PolarHBondContact O-NZ 2.62Å; Q451-K462 WeakPolarHBondContact O-CE 3.37Å; W452-K462 HydrophobicContact CB-CG 4.1Å
463	K	69	Low	66.4	Low	174 Å²	174	61.3 Å²	61.3	76%	0.757	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-76.4	-18.9	172.3	-63.5	167	-174.5	166.1	0	114.5	D461 K465	D461-K463 PolarHBondContact O-N 3.11Å; D461-K463 WeakPolarHBondContact OD1-CB 3.32Å; D461-K463 VanDerWaalsContact OD1-CG 3.32Å; D461-K463 WeakPolarHBondContact OD1-CG 3.32Å; D461-K463 PolarHBondContact OD1-N 3.48Å; K463-K465 VanDerWaalsContact C-N 3.33Å
464	R	67.1	Low	65.7	Low	119 Å²	119	60.3 Å²	60.3	45%	0.449	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-90.1	6.7	-178.4	-73.5	-179.9	173.8	-144.5	3.3	113.6	I460 D461 D471	I460-R464 HydrophobicContact CB-CB 4.22Å; I460-R464 HydrophobicContact CD1-CB 3.81Å; I460-R464 WeakPolarHBondContact CD1-O 3.37Å; I460-R464 HydrophobicContact CG1-CB 4.25Å; D461-R464 HydrophobicContact CB-CG 4.43Å; D461-R464 WeakPolarHBondContact O-CB 3.3Å; D461-R464 PolarHBondContact O-N 3.37Å; R464-D471 HydrophobicContact CB-CB 4.28Å; R464-D471 WeakPolarHBondContact CB-OD2 3.5Å; R464-D471 VanDerWaalsContact CD-OD2 3.26Å; R464-D471 WeakPolarHBondContact CD-OD2 3.1Å; R464-D471 VanDerWaalsContact CG-OD2 3.24Å; R464-D471 WeakPolarHBondContact CG-OD2 3.43Å; R464-D471 IonicContact CZ-OD1 2.64Å; R464-D471 IonicContact NE-OD1 3.89Å; R464-D471 IonicContact NE-OD2 3.51Å; R464-D471 IonicContact NH1-OD1 3.18Å; R464-D471 PolarHBondContact NH1-OD1 3.2Å; R464-D471 IonicContact NH1-OD2 2.86Å
465	K	74	Confident	65	Low	81 Å²	81	64.5 Å²	64.5	35%	0.352	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	127.3	173.5	-165.4	-151.7	175.6	-167.3	0	109.5	W452 K463 D477	W452-K465 HydrophobicContact CD2-CB 4.23Å; W452-K465 HydrophobicContact CD2-CD 4.01Å; W452-K465 HydrophobicContact CD2-CG 3.98Å; W452-K465 HydrophobicContact CE3-CB 4.2Å; W452-K465 HydrophobicContact CE3-CD 4.45Å; W452-K465 HydrophobicContact CE3-CG 3.95Å; W452-K465 HydrophobicContact CH2-CD 4.26Å; W452-K465 HydrophobicContact CH2-CG 4.1Å; W452-K465 HydrophobicContact CZ2-CD 3.81Å; W452-K465 VanDerWaalsContact CZ2-CE 3.48Å; W452-K465 HydrophobicContact CZ2-CG 4.13Å; W452-K465 HydrophobicContact CZ3-CG 4.01Å; K463-K465 VanDerWaalsContact C-N 3.33Å; K465-D477 WeakPolarHBondContact CG-O 3.44Å
466	C	65.3	Low	65.1	Low	41 Å²	41	60.1 Å²	60.1	28%	0.277	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	36.5	-172.5	-55.6	0	0	0	0	112.5	D477 E478 C481	C466-D477 PolarHBondContact N-O 3.45Å; C466-E478 WeakPolarHBondContact CA-OE1 3.34Å; C466-E478 PolarHBondContact N-OE1 3.32Å; C466-C481 WeakPolarHBondContact CA-SG 3.43Å; C466-C481 HydrophobicContact CB-CB 3.65Å; C466-C481 WeakPolarHBondContact CB-SG 3.34Å; C466-C481 WeakPolarHBondContact SG-CA 3.35Å; C466-C481 WeakPolarHBondContact SG-CB 3.37Å; C466-C481 CovalentContact SG-SG 2.03Å; C466-C481 PolarHBondContact SG-SG 2.84Å
467	D	58	Low	65.4	Low	39 Å²	39	57.5 Å²	57.5	21%	0.209	29%	0.29	C	S	.	.	S	Bend	trans	-76.2	-34.2	171.3	162.3	-69.3	0	0	0	110.7	W469 E478 R788	D467-W469 WeakPolarHBondContact OD1-CB 3.06Å; D467-W469 PolarHBondContact OD1-N 3.46Å; D467-W469 VanDerWaalsContact OD1-N 3.11Å; D467-E478 PolarHBondContact N-OE1 2.02Å; D467-R788 PolarHBondContact O-NE 3.03Å; D467-R788 PolarHBondContact O-NH1 3.23Å; D467-R788 PolarHBondContact O-NH2 2.95Å; D467-R788 VanDerWaalsContact OD1-CD 3.31Å; D467-R788 WeakPolarHBondContact OD1-CD 3.31Å; D467-R788 IonicContact OD1-CZ 2.84Å; D467-R788 IonicContact OD1-NE 3.17Å; D467-R788 IonicContact OD1-NH1 2.69Å; D467-R788 PolarHBondContact OD1-NH1 2.97Å
468	G	52.8	Low	65.8	Low	3 Å²	3	57 Å²	57	3%	0.031	28%	0.283	C	S	.	.	S	Bend	trans	100.9	10.1	-171.7	0	0	0	0	0	114.1	E478 R788	G468-E478 VanDerWaalsContact CA-CD 3.42Å; G468-E478 WeakPolarHBondContact CA-OE2 3.28Å; G468-E478 PolarHBondContact N-OE1 2.92Å; G468-E478 PolarHBondContact N-OE2 2.73Å; G468-R788 PolarHBondContact O-NH1 2.98Å
469	W	50.9	Low	65.9	Low	115 Å²	115	61.1 Å²	61.1	44%	0.436	30%	0.297	S	S	.	.	S	Bend	trans	-119.3	153.3	173.4	-72.7	130.4	0	0	0	110.8	D467 D471 E478 F786	D467-W469 WeakPolarHBondContact OD1-CB 3.06Å; D467-W469 PolarHBondContact OD1-N 3.46Å; D467-W469 VanDerWaalsContact OD1-N 3.11Å; W469-D471 VanDerWaalsContact C-N 3.29Å; W469-D471 PolarHBondContact O-N 3.49Å; W469-D471 VanDerWaalsContact O-N 3.12Å; W469-E478 WeakPolarHBondContact O-CG 3.13Å; W469-F786 HydrophobicContact CZ2-CD1 4.08Å
470	N	58.2	Low	65.6	Low	62 Å²	62	67.5 Å²	67.5	33%	0.332	33%	0.329	S	S	.	.			trans	-85.7	66.7	174	-176.7	14.6	0	0	0	111	C472 G473 D474 M475	N470-C472 PolarHBondContact O-N 3.48Å; N470-G473 PolarHBondContact ND2-O 2.97Å; N470-G473 PolarHBondContact O-N 2.62Å; N470-G473 WeakPolarHBondContact OD1-CA 3.09Å; N470-G473 PolarHBondContact OD1-N 2.8Å; N470-D474 PolarHBondContact OD1-N 2.97Å; N470-M475 HydrophobicContact CB-CG 4.01Å; N470-M475 WeakPolarHBondContact OD1-CA 3.37Å; N470-M475 PolarHBondContact OD1-N 3.08Å
471	D	64.8	Low	65.5	Low	47 Å²	47	67.8 Å²	67.8	25%	0.251	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-29.1	175.6	-95.9	-54.4	0	0	0	112.8	I460 R464 W469 D477	I460-D471 HydrophobicContact CD1-CB 4.19Å; I460-D471 HydrophobicContact CG2-CB 4.23Å; R464-D471 HydrophobicContact CB-CB 4.28Å; R464-D471 WeakPolarHBondContact CB-OD2 3.5Å; R464-D471 VanDerWaalsContact CD-OD2 3.26Å; R464-D471 WeakPolarHBondContact CD-OD2 3.1Å; R464-D471 VanDerWaalsContact CG-OD2 3.24Å; R464-D471 WeakPolarHBondContact CG-OD2 3.43Å; R464-D471 IonicContact CZ-OD1 2.64Å; R464-D471 IonicContact NE-OD1 3.89Å; R464-D471 IonicContact NE-OD2 3.51Å; R464-D471 IonicContact NH1-OD1 3.18Å; R464-D471 PolarHBondContact NH1-OD1 3.2Å; R464-D471 IonicContact NH1-OD2 2.86Å; W469-D471 VanDerWaalsContact C-N 3.29Å; W469-D471 PolarHBondContact O-N 3.49Å; W469-D471 VanDerWaalsContact O-N 3.12Å; D471-D477 WeakPolarHBondContact CA-OD2 3.27Å; D471-D477 PolarHBondContact N-OD2 3.19Å
472	C	64.1	Low	65.4	Low	2 Å²	2	73.9 Å²	73.9	1%	0.014	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-22.6	175.6	-72.6	0	0	0	0	113.9	C454 N456 F458 N470 D474 D477	C454-C472 HydrophobicContact CB-CB 3.53Å; C454-C472 WeakPolarHBondContact CB-SG 3.22Å; C454-C472 WeakPolarHBondContact SG-CA 3.02Å; C454-C472 WeakPolarHBondContact SG-CB 2.98Å; C454-C472 CovalentContact SG-SG 2.02Å; C454-C472 PolarHBondContact SG-SG 3.03Å; N456-C472 PolarHBondContact ND2-O 3.49Å; F458-C472 WeakPolarHBondContact CD2-O 3.46Å; N470-C472 PolarHBondContact O-N 3.48Å; C472-D474 WeakPolarHBondContact CB-OD1 3.25Å; C472-D474 PolarHBondContact O-N 2.91Å; C472-D477 WeakPolarHBondContact CB-OD2 3.26Å; C472-D477 PolarHBondContact N-OD2 2.84Å; C472-D477 VanDerWaalsContact SG-CG 3.58Å; C472-D477 PolarHBondContact SG-OD2 3.04Å; C472-D477 VanDerWaalsContact SG-OD2 3.39Å
473	G	58.6	Low	65.2	Low	55 Å²	55	69.4 Å²	69.4	57%	0.567	34%	0.339	S	S	*	.	S	Bend	trans	81	-21.9	-167.6	0	0	0	0	0	115.3	N470	N470-G473 PolarHBondContact ND2-O 2.97Å; N470-G473 PolarHBondContact O-N 2.62Å; N470-G473 WeakPolarHBondContact OD1-CA 3.09Å; N470-G473 PolarHBondContact OD1-N 2.8Å
474	D	63.1	Low	65	Low	37 Å²	37	66.3 Å²	66.3	20%	0.198	33%	0.331	C	S	.	.	S	Bend	trans	-108.4	4.5	-179.3	72.5	-11.7	0	0	0	115.4	N456 N470 C472 S476 R479	N456-D474 HydrophobicContact CB-CB 4.02Å; N456-D474 WeakPolarHBondContact CB-OD2 3.48Å; N456-D474 VanDerWaalsContact CG-CG 3.47Å; N456-D474 PolarHBondContact N-OD2 3.36Å; N456-D474 WeakPolarHBondContact ND2-CB 3.44Å; N470-D474 PolarHBondContact OD1-N 2.97Å; C472-D474 WeakPolarHBondContact CB-OD1 3.25Å; C472-D474 PolarHBondContact O-N 2.91Å; D474-S476 VanDerWaalsContact C-N 3.31Å; D474-S476 PolarHBondContact O-N 2.86Å; D474-S476 WeakPolarHBondContact OD1-CB 3.06Å; D474-S476 PolarHBondContact OD1-N 2.89Å; D474-S476 PolarHBondContact OD1-OG 3.44Å; D474-S476 PolarHBondContact OD2-OG 3.09Å; D474-R479 PolarHBondContact O-NH2 2.57Å
475	M	62.6	Low	64.6	Low	95 Å²	95	65.9 Å²	65.9	47%	0.468	35%	0.346	S	S	.	.	S	Bend	trans	58.9	31.4	-172.6	-54.2	178	175.6	0	0	114	N470 D477 R479	N470-M475 HydrophobicContact CB-CG 4.01Å; N470-M475 WeakPolarHBondContact OD1-CA 3.37Å; N470-M475 PolarHBondContact OD1-N 3.08Å; M475-D477 VanDerWaalsContact CA-OD1 3.29Å; M475-D477 WeakPolarHBondContact CA-OD1 3.35Å; M475-R479 WeakPolarHBondContact O-CD 3.44Å; M475-R479 WeakPolarHBondContact O-CG 3.37Å; M475-R479 PolarHBondContact O-NE 3.04Å
476	S	74.1	Confident	64.1	Low	10 Å²	10	66.4 Å²	66.4	7%	0.07	35%	0.353	C	S	.	.			trans	-82.4	-31	177.3	-73.5	0	0	0	0	114.5	W452 S455 D474 E478	W452-S476 WeakPolarHBondContact CH2-O 3.27Å; S455-S476 WeakPolarHBondContact CB-OG 3.49Å; S455-S476 PolarHBondContact N-OG 3.24Å; S455-S476 VanDerWaalsContact OG-CB 3.29Å; S455-S476 WeakPolarHBondContact OG-CB 3.49Å; S455-S476 PolarHBondContact OG-OG 3.27Å; D474-S476 VanDerWaalsContact C-N 3.31Å; D474-S476 PolarHBondContact O-N 2.86Å; D474-S476 WeakPolarHBondContact OD1-CB 3.06Å; D474-S476 PolarHBondContact OD1-N 2.89Å; D474-S476 PolarHBondContact OD1-OG 3.44Å; D474-S476 PolarHBondContact OD2-OG 3.09Å; S476-E478 VanDerWaalsContact C-N 3.28Å
477	D	69.3	Low	64.1	Low	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-45.7	164.6	36.7	18.2	0	0	0	112.5	W452 I460 K465 C466 D471 C472 M475 C481	W452-D477 HydrophobicContact CZ3-CB 4.15Å; I460-D477 HydrophobicContact CD1-CB 3.98Å; K465-D477 WeakPolarHBondContact CG-O 3.44Å; C466-D477 PolarHBondContact N-O 3.45Å; D471-D477 WeakPolarHBondContact CA-OD2 3.27Å; D471-D477 PolarHBondContact N-OD2 3.19Å; C472-D477 WeakPolarHBondContact CB-OD2 3.26Å; C472-D477 PolarHBondContact N-OD2 2.84Å; C472-D477 VanDerWaalsContact SG-CG 3.58Å; C472-D477 PolarHBondContact SG-OD2 3.04Å; C472-D477 VanDerWaalsContact SG-OD2 3.39Å; M475-D477 VanDerWaalsContact CA-OD1 3.29Å; M475-D477 WeakPolarHBondContact CA-OD1 3.35Å; D477-C481 PolarHBondContact O-SG 2.95Å
478	E	73.3	Confident	64.9	Low	5 Å²	5	66.8 Å²	66.8	2%	0.023	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	5.2	-170.4	-63.5	-52.2	130.3	0	0	115.3	C466 D467 G468 W469 S476 L494	C466-E478 WeakPolarHBondContact CA-OE1 3.34Å; C466-E478 PolarHBondContact N-OE1 3.32Å; D467-E478 PolarHBondContact N-OE1 2.02Å; G468-E478 VanDerWaalsContact CA-CD 3.42Å; G468-E478 WeakPolarHBondContact CA-OE2 3.28Å; G468-E478 PolarHBondContact N-OE1 2.92Å; G468-E478 PolarHBondContact N-OE2 2.73Å; W469-E478 WeakPolarHBondContact O-CG 3.13Å; S476-E478 VanDerWaalsContact C-N 3.28Å; E478-L494 HydrophobicContact CB-CD2 3.64Å
479	R	67.7	Low	66	Low	156 Å²	156	70.5 Å²	70.5	59%	0.589	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	137.4	175.5	-78.6	169.4	-142.2	-142.9	9.7	111.9	D474 M475 C481	D474-R479 PolarHBondContact O-NH2 2.57Å; M475-R479 WeakPolarHBondContact O-CD 3.44Å; M475-R479 WeakPolarHBondContact O-CG 3.37Å; M475-R479 PolarHBondContact O-NE 3.04Å; R479-C481 VanDerWaalsContact C-N 3.31Å; R479-C481 PolarHBondContact O-N 2.73Å
480	N	66.9	Low	67.1	Low	165 Å²	165	65.1 Å²	65.1	88%	0.882	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	39.2	175	-164.6	24.8	0	0	0	113.1
481	C	69.6	Low	67.8	Low	19 Å²	19	66.4 Å²	66.4	13%	0.128	37%	0.37	C	S	.	.			trans	-81.9	157.3	175.8	-65.7	0	0	0	0	111.9	C466 D477 R479	C466-C481 WeakPolarHBondContact CA-SG 3.43Å; C466-C481 HydrophobicContact CB-CB 3.65Å; C466-C481 WeakPolarHBondContact CB-SG 3.34Å; C466-C481 WeakPolarHBondContact SG-CA 3.35Å; C466-C481 WeakPolarHBondContact SG-CB 3.37Å; C466-C481 CovalentContact SG-SG 2.03Å; C466-C481 PolarHBondContact SG-SG 2.84Å; D477-C481 PolarHBondContact O-SG 2.95Å; R479-C481 VanDerWaalsContact C-N 3.31Å; R479-C481 PolarHBondContact O-N 2.73Å
482	K	70.8	Confident	67.9	Low	200 Å²	200	68 Å²	68	87%	0.87	38%	0.378	S	S	*	.			trans	-111.1	110.7	168.2	-72.2	-172.2	176.8	-174.8	0	107.7
483	C	68.3	Low	68.1	Low	32 Å²	32	69.2 Å²	69.2	22%	0.216	39%	0.391	C	S	.	.			trans	-70.2	140.8	-177.5	-42.1	0	0	0	0	110.8	Q487 T489 C495	C483-Q487 VanDerWaalsContact CA-OE1 3.28Å; C483-Q487 HydrophobicContact CB-CB 3.8Å; C483-T489 PolarHBondContact SG-OG1 2.86Å; C483-C495 WeakPolarHBondContact CA-SG 3.23Å; C483-C495 HydrophobicContact CB-CB 3.74Å; C483-C495 WeakPolarHBondContact CB-SG 3.43Å; C483-C495 PolarHBondContact N-SG 3.41Å; C483-C495 VanDerWaalsContact N-SG 3.4Å; C483-C495 WeakPolarHBondContact SG-CA 3.18Å; C483-C495 WeakPolarHBondContact SG-CB 3.42Å; C483-C495 CovalentContact SG-SG 2.04Å; C483-C495 PolarHBondContact SG-SG 2.87Å
484	D	65.9	Low	68.5	Low	110 Å²	110	67.8 Å²	67.8	59%	0.588	37%	0.37	S	S	*	.			trans	-74	169	176.7	-85.8	-46	0	0	0	112.1	D486 Q487	D484-D486 WeakPolarHBondContact CB-OD1 3.4Å; D484-D486 PolarHBondContact O-N 2.89Å; D484-Q487 VanDerWaalsContact N-OE1 3.09Å; D484-Q487 WeakPolarHBondContact O-CB 3.48Å; D484-Q487 PolarHBondContact O-N 2.03Å
485	S	59.4	Low	68.9	Low	109 Å²	109	66.1 Å²	66.1	76%	0.762	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.7	-170.4	61.6	0	0	0	0	115.6	K498	S485-K498 PolarHBondContact O-NZ 3.42Å
486	D	62.4	Low	68.9	Low	93 Å²	93	62.8 Å²	62.8	50%	0.497	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-4.6	177.8	51.3	-58.1	0	0	0	113.5	D484 K498	D484-D486 WeakPolarHBondContact CB-OD1 3.4Å; D484-D486 PolarHBondContact O-N 2.89Å; D486-K498 WeakPolarHBondContact O-CD 3.38Å; D486-K498 WeakPolarHBondContact O-CG 3.38Å; D486-K498 PolarHBondContact O-N 2.9Å
487	Q	65.1	Low	68.2	Low	37 Å²	37	64 Å²	64	17%	0.173	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	156	-177.1	-65.4	176.4	-6.8	0	0	112.9	C483 D484 K496 K498	C483-Q487 VanDerWaalsContact CA-OE1 3.28Å; C483-Q487 HydrophobicContact CB-CB 3.8Å; D484-Q487 VanDerWaalsContact N-OE1 3.09Å; D484-Q487 WeakPolarHBondContact O-CB 3.48Å; D484-Q487 PolarHBondContact O-N 2.03Å; Q487-K496 CarbonylContact C-O 3.38Å; Q487-K496 VanDerWaalsContact CA-O 3.25Å; Q487-K496 WeakPolarHBondContact CA-O 3.4Å; Q487-K496 VanDerWaalsContact CB-O 3.27Å; Q487-K496 WeakPolarHBondContact CB-O 3.25Å; Q487-K498 WeakPolarHBondContact O-CE 3.44Å
488	F	74.4	Confident	67.8	Low	50 Å²	50	69.7 Å²	69.7	22%	0.219	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	144	171.8	175.7	-105	0	0	0	109.8	K496 K498 V501	F488-K496 PolarHBondContact N-O 2.9Å; F488-K496 PolarHBondContact O-N 2.82Å; F488-K498 HydrophobicContact CB-CG 4.18Å; F488-V501 HydrophobicContact CB-CG2 3.73Å; F488-V501 HydrophobicContact CD1-CG2 3.74Å; F488-V501 HydrophobicContact CD2-CG2 3.98Å; F488-V501 HydrophobicContact CE1-CG2 4.32Å; F488-V501 HydrophobicContact CG-CG2 3.54Å
489	T	75.6	Confident	67	Low	81 Å²	81	73.9 Å²	73.9	50%	0.497	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	111.4	178.5	-48.6	0	0	0	0	109.6	C483	C483-T489 PolarHBondContact SG-OG1 2.86Å
490	C	74.3	Confident	66.5	Low	3 Å²	3	69.6 Å²	69.6	2%	0.02	39%	0.385	C	S	.	.			trans	-63.4	156.8	172.2	-53.9	0	0	0	0	110.9	N492 G493 L494 K496 C508	C490-N492 VanDerWaalsContact C-N 3.26Å; C490-N492 WeakPolarHBondContact CB-OD1 3.33Å; C490-N492 PolarHBondContact O-N 3.05Å; C490-G493 WeakPolarHBondContact O-CA 3.42Å; C490-G493 PolarHBondContact O-N 3.27Å; C490-L494 HydrophobicContact CB-CB 4.11Å; C490-L494 PolarHBondContact N-O 2.89Å; C490-K496 WeakPolarHBondContact SG-CG 3.41Å; C490-C508 HydrophobicContact CB-CB 3.65Å; C490-C508 WeakPolarHBondContact CB-SG 3.39Å; C490-C508 WeakPolarHBondContact SG-CA 3.47Å; C490-C508 WeakPolarHBondContact SG-CB 3.45Å; C490-C508 CovalentContact SG-SG 2.03Å; C490-C508 PolarHBondContact SG-SG 3.01Å
491	A	74.8	Confident	66.3	Low	88 Å²	88	63.7 Å²	63.7	73%	0.727	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-28.6	-178.7	0	0	0	0	0	113	G493 S512	A491-G493 PolarHBondContact O-N 2.91Å; A491-S512 WeakPolarHBondContact CB-OG 3.14Å; A491-S512 PolarHBondContact N-OG 2.83Å
492	N	66.2	Low	65.9	Low	80 Å²	80	64 Å²	64	43%	0.428	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-3.8	169	64.3	17.6	0	0	0	114.8	C490 L494 C508 D510	C490-N492 VanDerWaalsContact C-N 3.26Å; C490-N492 WeakPolarHBondContact CB-OD1 3.33Å; C490-N492 PolarHBondContact O-N 3.05Å; N492-L494 WeakPolarHBondContact OD1-CB 3Å; N492-L494 VanDerWaalsContact OD1-CG 3.32Å; N492-L494 WeakPolarHBondContact OD1-CG 3.11Å; N492-L494 PolarHBondContact OD1-N 2.92Å; N492-L494 VanDerWaalsContact OD1-N 3.11Å; N492-C508 PolarHBondContact ND2-O 3.27Å; N492-D510 VanDerWaalsContact CB-OD2 3.23Å; N492-D510 WeakPolarHBondContact CB-OD2 3.2Å; N492-D510 PolarHBondContact N-OD2 3.02Å; N492-D510 PolarHBondContact ND2-OD2 2.88Å
493	G	67.6	Low	65.2	Low	28 Å²	28	57.8 Å²	57.8	29%	0.289	33%	0.333	S	S	.	.	S	Bend	trans	89.8	4.2	176.6	0	0	0	0	0	115.7	C490 A491	C490-G493 WeakPolarHBondContact O-CA 3.42Å; C490-G493 PolarHBondContact O-N 3.27Å; A491-G493 PolarHBondContact O-N 2.91Å
494	L	67.2	Low	64.5	Low	25 Å²	25	63.3 Å²	63.3	13%	0.131	36%	0.361	C	S	.	.			trans	-68.5	146.1	172.1	-66.5	176.3	0	0	0	111.7	E478 C490 N492	E478-L494 HydrophobicContact CB-CD2 3.64Å; C490-L494 HydrophobicContact CB-CB 4.11Å; C490-L494 PolarHBondContact N-O 2.89Å; N492-L494 WeakPolarHBondContact OD1-CB 3Å; N492-L494 VanDerWaalsContact OD1-CG 3.32Å; N492-L494 WeakPolarHBondContact OD1-CG 3.11Å; N492-L494 PolarHBondContact OD1-N 2.92Å; N492-L494 VanDerWaalsContact OD1-N 3.11Å
495	C	70.9	Confident	63.9	Low	3 Å²	3	60.4 Å²	60.4	2%	0.02	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	115.7	172.1	-60.5	0	0	0	0	110.3	C483	C483-C495 WeakPolarHBondContact CA-SG 3.23Å; C483-C495 HydrophobicContact CB-CB 3.74Å; C483-C495 WeakPolarHBondContact CB-SG 3.43Å; C483-C495 PolarHBondContact N-SG 3.41Å; C483-C495 VanDerWaalsContact N-SG 3.4Å; C483-C495 WeakPolarHBondContact SG-CA 3.18Å; C483-C495 WeakPolarHBondContact SG-CB 3.42Å; C483-C495 CovalentContact SG-SG 2.04Å; C483-C495 PolarHBondContact SG-SG 2.87Å
496	K	63.5	Low	64.1	Low	25 Å²	25	58.1 Å²	58.1	11%	0.109	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	167.1	176.2	-63.2	-70.2	165.3	158.6	0	110.1	Q487 F488 C490 F500 D507	Q487-K496 CarbonylContact C-O 3.38Å; Q487-K496 VanDerWaalsContact CA-O 3.25Å; Q487-K496 WeakPolarHBondContact CA-O 3.4Å; Q487-K496 VanDerWaalsContact CB-O 3.27Å; Q487-K496 WeakPolarHBondContact CB-O 3.25Å; F488-K496 PolarHBondContact N-O 2.9Å; F488-K496 PolarHBondContact O-N 2.82Å; C490-K496 WeakPolarHBondContact SG-CG 3.41Å; K496-F500 HydrophobicContact CB-CD2 4.48Å; K496-D507 WeakPolarHBondContact CE-O 3.31Å; K496-D507 PolarHBondContact NZ-O 2.65Å
497	S	60.3	Low	64.2	Low	34 Å²	34	56 Å²	56	24%	0.238	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	148.6	170.7	-174	0	0	0	0	109.7	L499 F500	S497-L499 PolarHBondContact O-N 3.47Å; S497-L499 VanDerWaalsContact O-N 3.12Å; S497-L499 WeakPolarHBondContact OG-CB 3.36Å; S497-L499 WeakPolarHBondContact OG-CG 3.49Å; S497-L499 PolarHBondContact OG-N 2.86Å; S497-F500 PolarHBondContact O-N 3.2Å
498	K	60.1	Low	64.4	Low	121 Å²	121	54.4 Å²	54.4	53%	0.526	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-9.6	165.4	-74.1	174.7	179.2	175.7	0	113.7	S485 D486 Q487 F488	S485-K498 PolarHBondContact O-NZ 3.42Å; D486-K498 WeakPolarHBondContact O-CD 3.38Å; D486-K498 WeakPolarHBondContact O-CG 3.38Å; D486-K498 PolarHBondContact O-N 2.9Å; Q487-K498 WeakPolarHBondContact O-CE 3.44Å; F488-K498 HydrophobicContact CB-CG 4.18Å
499	L	55.6	Low	63.8	Low	92 Å²	92	54.5 Å²	54.5	48%	0.482	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-22.6	171.1	-59.1	173.7	0	0	0	113.1	S497 V501 V767	S497-L499 PolarHBondContact O-N 3.47Å; S497-L499 VanDerWaalsContact O-N 3.12Å; S497-L499 WeakPolarHBondContact OG-CB 3.36Å; S497-L499 WeakPolarHBondContact OG-CG 3.49Å; S497-L499 PolarHBondContact OG-N 2.86Å; L499-V501 VanDerWaalsContact C-N 3.3Å; L499-V501 PolarHBondContact O-N 2.72Å; L499-V767 HydrophobicContact CD1-CG1 4.37Å
500	F	57.7	Low	63.5	Low	66 Å²	66	52.8 Å²	52.8	29%	0.289	31%	0.313	S	S	.	.	S	Bend	trans	-97.2	55.6	176.8	-52.3	-48.6	0	0	0	109.5	K496 S497 D507 D513	K496-F500 HydrophobicContact CB-CD2 4.48Å; S497-F500 PolarHBondContact O-N 3.2Å; F500-D507 HydrophobicContact CB-CB 4.08Å; F500-D507 WeakPolarHBondContact CD1-OD2 3.12Å; F500-D507 WeakPolarHBondContact CG-OD2 3.39Å; F500-D513 WeakPolarHBondContact O-CB 3.26Å
501	V	62.6	Low	63.1	Low	42 Å²	42	57.9 Å²	57.9	26%	0.255	34%	0.338	S	S	.	.	S	Bend	trans	-144.4	117.8	-179.6	-177.7	0	0	0	0	107	F488 L499	F488-V501 HydrophobicContact CB-CG2 3.73Å; F488-V501 HydrophobicContact CD1-CG2 3.74Å; F488-V501 HydrophobicContact CD2-CG2 3.98Å; F488-V501 HydrophobicContact CE1-CG2 4.32Å; F488-V501 HydrophobicContact CG-CG2 3.54Å; L499-V501 VanDerWaalsContact C-N 3.3Å; L499-V501 PolarHBondContact O-N 2.72Å
502	C	60.4	Low	63.2	Low	24 Å²	24	54.3 Å²	54.3	16%	0.162	31%	0.307	C	S	.	.	S	Bend	trans	68.1	30.6	-172.3	-48.1	0	0	0	0	114.8	E514 C517 R525	C502-E514 WeakPolarHBondContact CA-OE1 3.4Å; C502-E514 VanDerWaalsContact CA-OE2 3.3Å; C502-E514 WeakPolarHBondContact CA-OE2 3.41Å; C502-E514 PolarHBondContact N-OE1 2.78Å; C502-C517 WeakPolarHBondContact CA-SG 3.46Å; C502-C517 HydrophobicContact CB-CB 3.61Å; C502-C517 WeakPolarHBondContact CB-SG 3.37Å; C502-C517 WeakPolarHBondContact SG-CA 3.28Å; C502-C517 WeakPolarHBondContact SG-CB 3.3Å; C502-C517 CovalentContact SG-SG 2.02Å; C502-C517 PolarHBondContact SG-SG 2.88Å; C502-R525 VanDerWaalsContact O-CZ 3.23Å; C502-R525 PolarHBondContact O-NH1 2.77Å; C502-R525 PolarHBondContact O-NH2 3.07Å
503	D	56.3	Low	63.3	Low	70 Å²	70	50.5 Å²	50.5	37%	0.374	29%	0.287	S	S	.	.	S	Bend	trans	-99	10	179.7	75.7	0.4	0	0	0	114.4	S505 E514	D503-S505 PolarHBondContact O-N 3.03Å; D503-S505 WeakPolarHBondContact OD1-CA 3.38Å; D503-S505 WeakPolarHBondContact OD1-CB 3.28Å; D503-S505 PolarHBondContact OD1-N 3.18Å; D503-E514 PolarHBondContact N-OE1 2.96Å; D503-E514 VanDerWaalsContact N-OE1 3.16Å; D503-E514 PolarHBondContact N-OE2 3.4Å
504	N	54.8	Low	63.6	Low	149 Å²	149	51.1 Å²	51.1	80%	0.797	28%	0.283	S	S	*	.	S	Bend	trans	63.9	2.4	-172.4	-101.1	2.5	0	0	0	115	E514	N504-E514 VanDerWaalsContact CA-OE2 3.28Å; N504-E514 WeakPolarHBondContact CA-OE2 3.25Å; N504-E514 PolarHBondContact N-OE2 3.39Å
505	S	53.9	Low	63.6	Low	48 Å²	48	56.4 Å²	56.4	34%	0.336	30%	0.304	S	S	.	.			trans	-86.8	153.8	167.3	-164.9	0	0	0	0	111	D503 D507 E514	D503-S505 PolarHBondContact O-N 3.03Å; D503-S505 WeakPolarHBondContact OD1-CA 3.38Å; D503-S505 WeakPolarHBondContact OD1-CB 3.28Å; D503-S505 PolarHBondContact OD1-N 3.18Å; S505-D507 WeakPolarHBondContact CB-OD1 3.29Å; S505-D507 PolarHBondContact OG-OD1 2.95Å; S505-E514 WeakPolarHBondContact O-CG 3.48Å
506	N	61.6	Low	63.1	Low	62 Å²	62	63.3 Å²	63.3	33%	0.332	34%	0.34	S	S	.	.			trans	-100.5	62	169.2	-179.4	18.5	0	0	0	109	C508 G509 D510 M511	N506-C508 VanDerWaalsContact C-N 3.33Å; N506-C508 PolarHBondContact O-N 2.92Å; N506-G509 PolarHBondContact ND2-O 2.59Å; N506-G509 WeakPolarHBondContact O-CA 3.35Å; N506-G509 PolarHBondContact O-N 2.71Å; N506-G509 WeakPolarHBondContact OD1-CA 3.16Å; N506-G509 PolarHBondContact OD1-N 3.47Å; N506-G509 PolarHBondContact OD1-O 3.47Å; N506-D510 PolarHBondContact OD1-N 3.09Å; N506-M511 HydrophobicContact CB-CG 4.35Å; N506-M511 WeakPolarHBondContact OD1-CA 3.4Å; N506-M511 PolarHBondContact OD1-N 2.03Å
507	D	66.4	Low	63	Low	49 Å²	49	63.6 Å²	63.6	26%	0.262	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-27.4	-174	-96.2	25.3	0	0	0	112.6	K496 F500 S505 G509 D513	K496-D507 WeakPolarHBondContact CE-O 3.31Å; K496-D507 PolarHBondContact NZ-O 2.65Å; F500-D507 HydrophobicContact CB-CB 4.08Å; F500-D507 WeakPolarHBondContact CD1-OD2 3.12Å; F500-D507 WeakPolarHBondContact CG-OD2 3.39Å; S505-D507 WeakPolarHBondContact CB-OD1 3.29Å; S505-D507 PolarHBondContact OG-OD1 2.95Å; D507-G509 VanDerWaalsContact C-N 3.28Å; D507-D513 PolarHBondContact N-OD2 2.78Å
508	C	67.7	Low	62.8	Low	2 Å²	2	67.3 Å²	67.3	1%	0.014	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-20.5	165.9	-77.2	0	0	0	0	113.1	C490 N492 N506 D510 D513	C490-C508 HydrophobicContact CB-CB 3.65Å; C490-C508 WeakPolarHBondContact CB-SG 3.39Å; C490-C508 WeakPolarHBondContact SG-CA 3.47Å; C490-C508 WeakPolarHBondContact SG-CB 3.45Å; C490-C508 CovalentContact SG-SG 2.03Å; C490-C508 PolarHBondContact SG-SG 3.01Å; N492-C508 PolarHBondContact ND2-O 3.27Å; N506-C508 VanDerWaalsContact C-N 3.33Å; N506-C508 PolarHBondContact O-N 2.92Å; C508-D510 WeakPolarHBondContact CB-OD1 3.49Å; C508-D510 PolarHBondContact O-N 3.17Å; C508-D510 VanDerWaalsContact O-N 3.1Å; C508-D513 VanDerWaalsContact CB-OD2 3.25Å; C508-D513 WeakPolarHBondContact CB-OD2 3.26Å; C508-D513 PolarHBondContact N-OD2 2.84Å
509	G	63	Low	62.8	Low	53 Å²	53	63 Å²	63	55%	0.546	36%	0.356	S	S	.	.	S	Bend	trans	75.2	-21.7	-173.4	0	0	0	0	0	114.9	N506 D507	N506-G509 PolarHBondContact ND2-O 2.59Å; N506-G509 WeakPolarHBondContact O-CA 3.35Å; N506-G509 PolarHBondContact O-N 2.71Å; N506-G509 WeakPolarHBondContact OD1-CA 3.16Å; N506-G509 PolarHBondContact OD1-N 3.47Å; N506-G509 PolarHBondContact OD1-O 3.47Å; D507-G509 VanDerWaalsContact C-N 3.28Å
510	D	69.7	Low	63	Low	44 Å²	44	64.6 Å²	64.6	24%	0.235	36%	0.361	C	S	.	.	S	Bend	trans	-108	7.2	-179.9	72.1	1.6	0	0	0	114.3	N492 N506 C508 S512 K515	N492-D510 VanDerWaalsContact CB-OD2 3.23Å; N492-D510 WeakPolarHBondContact CB-OD2 3.2Å; N492-D510 PolarHBondContact N-OD2 3.02Å; N492-D510 PolarHBondContact ND2-OD2 2.88Å; N506-D510 PolarHBondContact OD1-N 3.09Å; C508-D510 WeakPolarHBondContact CB-OD1 3.49Å; C508-D510 PolarHBondContact O-N 3.17Å; C508-D510 VanDerWaalsContact O-N 3.1Å; D510-S512 VanDerWaalsContact C-N 3.34Å; D510-S512 PolarHBondContact O-N 3.16Å; D510-S512 WeakPolarHBondContact OD1-CB 3.42Å; D510-S512 PolarHBondContact OD1-N 3.1Å; D510-S512 PolarHBondContact OD1-OG 2.93Å; D510-S512 PolarHBondContact OD2-OG 3.08Å; D510-S512 VanDerWaalsContact OD2-OG 3.06Å; D510-K515 PolarHBondContact O-NZ 3.27Å
511	M	65.1	Low	63	Low	110 Å²	110	66.9 Å²	66.9	54%	0.542	38%	0.383	S	S	.	.	S	Bend	trans	60.3	30.7	-175.4	-55.2	170.5	174.5	0	0	114.3	N506 D513 K515	N506-M511 HydrophobicContact CB-CG 4.35Å; N506-M511 WeakPolarHBondContact OD1-CA 3.4Å; N506-M511 PolarHBondContact OD1-N 2.03Å; M511-D513 WeakPolarHBondContact CA-OD1 3.37Å; M511-K515 WeakPolarHBondContact O-CD 3.45Å; M511-K515 WeakPolarHBondContact O-CE 3.25Å; M511-K515 WeakPolarHBondContact O-CG 3.34Å; M511-K515 PolarHBondContact O-NZ 3.05Å; M511-K515 VanDerWaalsContact O-NZ 3.11Å
512	S	75.9	Confident	63	Low	13 Å²	13	71.1 Å²	71.1	9%	0.091	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-29.8	177.5	-61.4	0	0	0	0	114.3	A491 D510	A491-S512 WeakPolarHBondContact CB-OG 3.14Å; A491-S512 PolarHBondContact N-OG 2.83Å; D510-S512 VanDerWaalsContact C-N 3.34Å; D510-S512 PolarHBondContact O-N 3.16Å; D510-S512 WeakPolarHBondContact OD1-CB 3.42Å; D510-S512 PolarHBondContact OD1-N 3.1Å; D510-S512 PolarHBondContact OD1-OG 2.93Å; D510-S512 PolarHBondContact OD2-OG 3.08Å; D510-S512 VanDerWaalsContact OD2-OG 3.06Å
513	D	68.6	Low	63.2	Low	0 Å²	0	73.9 Å²	73.9	0%	0	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-55.2	164.2	35	18.3	0	0	0	111.3	F500 D507 C508 M511 K515 C517	F500-D513 WeakPolarHBondContact O-CB 3.26Å; D507-D513 PolarHBondContact N-OD2 2.78Å; C508-D513 VanDerWaalsContact CB-OD2 3.25Å; C508-D513 WeakPolarHBondContact CB-OD2 3.26Å; C508-D513 PolarHBondContact N-OD2 2.84Å; M511-D513 WeakPolarHBondContact CA-OD1 3.37Å; D513-K515 PolarHBondContact O-N 2.97Å; D513-C517 PolarHBondContact O-SG 2.93Å; D513-C517 VanDerWaalsContact O-SG 3.34Å
514	E	75.3	Confident	63.5	Low	42 Å²	42	73.9 Å²	73.9	20%	0.196	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-85.1	-7.4	-169.4	-59.2	-51.2	99.2	0	0	115.2	C502 D503 N504 S505 L516 C517	C502-E514 WeakPolarHBondContact CA-OE1 3.4Å; C502-E514 VanDerWaalsContact CA-OE2 3.3Å; C502-E514 WeakPolarHBondContact CA-OE2 3.41Å; C502-E514 PolarHBondContact N-OE1 2.78Å; D503-E514 PolarHBondContact N-OE1 2.96Å; D503-E514 VanDerWaalsContact N-OE1 3.16Å; D503-E514 PolarHBondContact N-OE2 3.4Å; N504-E514 VanDerWaalsContact CA-OE2 3.28Å; N504-E514 WeakPolarHBondContact CA-OE2 3.25Å; N504-E514 PolarHBondContact N-OE2 3.39Å; S505-E514 WeakPolarHBondContact O-CG 3.48Å; E514-L516 VanDerWaalsContact C-N 3.34Å; E514-L516 PolarHBondContact O-N 2.84Å; E514-C517 VanDerWaalsContact C-SG 3.58Å; E514-C517 PolarHBondContact O-SG 3.13Å
515	K	66.8	Low	63.8	Low	135 Å²	135	70.6 Å²	70.6	59%	0.587	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-76.5	-10	-174	-89.3	166.2	-154.1	141	0	116.1	D510 M511 D513	D510-K515 PolarHBondContact O-NZ 3.27Å; M511-K515 WeakPolarHBondContact O-CD 3.45Å; M511-K515 WeakPolarHBondContact O-CE 3.25Å; M511-K515 WeakPolarHBondContact O-CG 3.34Å; M511-K515 PolarHBondContact O-NZ 3.05Å; M511-K515 VanDerWaalsContact O-NZ 3.11Å; D513-K515 PolarHBondContact O-N 2.97Å
516	L	59.5	Low	64.2	Low	148 Å²	148	68.5 Å²	68.5	78%	0.775	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-117	23.6	-174.9	-90.5	161.3	0	0	0	113.4	E514	E514-L516 VanDerWaalsContact C-N 3.34Å; E514-L516 PolarHBondContact O-N 2.84Å
517	C	62.5	Low	63.9	Low	32 Å²	32	68.8 Å²	68.8	22%	0.216	39%	0.388	C	S	.	.			trans	-106.6	40.9	-161.7	-57.2	0	0	0	0	114.7	C502 D513 E514	C502-C517 WeakPolarHBondContact CA-SG 3.46Å; C502-C517 HydrophobicContact CB-CB 3.61Å; C502-C517 WeakPolarHBondContact CB-SG 3.37Å; C502-C517 WeakPolarHBondContact SG-CA 3.28Å; C502-C517 WeakPolarHBondContact SG-CB 3.3Å; C502-C517 CovalentContact SG-SG 2.02Å; C502-C517 PolarHBondContact SG-SG 2.88Å; D513-C517 PolarHBondContact O-SG 2.93Å; D513-C517 VanDerWaalsContact O-SG 3.34Å; E514-C517 VanDerWaalsContact C-SG 3.58Å; E514-C517 PolarHBondContact O-SG 3.13Å
518	S	55.4	Low	63.2	Low	112 Å²	112	69.5 Å²	69.5	78%	0.783	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-101.7	120.8	-178.8	-52.7	0	0	0	0	112.6
519	C	60.7	Low	62.6	Low	30 Å²	30	70.3 Å²	70.3	20%	0.203	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-64.5	170.8	162.3	-55.3	0	0	0	0	110.9	E523 C531	C519-E523 HydrophobicContact CB-CB 3.73Å; C519-C531 HydrophobicContact CB-CB 3.77Å; C519-C531 WeakPolarHBondContact CB-SG 3.44Å; C519-C531 WeakPolarHBondContact SG-CB 3.12Å; C519-C531 CovalentContact SG-SG 2.04Å; C519-C531 PolarHBondContact SG-SG 3.47Å
520	Q	59.3	Low	62.6	Low	126 Å²	126	71.1 Å²	71.1	59%	0.589	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-66.1	159.4	174.6	-65.6	-63.6	-53.4	0	0	111.9	N522 E523	Q520-N522 PolarHBondContact O-N 3Å; Q520-E523 HydrophobicContact CB-CG 4.14Å; Q520-E523 WeakPolarHBondContact CB-OE2 3.47Å; Q520-E523 PolarHBondContact N-OE2 3.25Å; Q520-E523 PolarHBondContact O-N 3.08Å
521	P	57.6	Low	62.6	Low	114 Å²	114	71.6 Å²	71.6	74%	0.74	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-6.8	-175.7	-26.8	36.4	0	0	0	117.5
522	N	62	Low	62.8	Low	131 Å²	131	68.1 Å²	68.1	70%	0.701	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	9.1	176.6	-66.6	17.7	0	0	0	112.4	Q520 Q534	Q520-N522 PolarHBondContact O-N 3Å; N522-Q534 PolarHBondContact O-N 3Å
523	E	65.3	Low	62.6	Low	81 Å²	81	70.7 Å²	70.7	38%	0.379	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	134.7	-175.3	-68.5	167.6	176.8	0	0	110.4	C519 Q520 C531 L532	C519-E523 HydrophobicContact CB-CB 3.73Å; Q520-E523 HydrophobicContact CB-CG 4.14Å; Q520-E523 WeakPolarHBondContact CB-OE2 3.47Å; Q520-E523 PolarHBondContact N-OE2 3.25Å; Q520-E523 PolarHBondContact O-N 3.08Å; E523-C531 HydrophobicContact CB-CB 4.3Å; E523-L532 CarbonylContact C-O 3.52Å; E523-L532 WeakPolarHBondContact CA-O 3.26Å
524	W	61.4	Low	62.5	Low	70 Å²	70	76.4 Å²	76.4	27%	0.265	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	154.4	173.6	-175.4	75.7	0	0	0	110.2	C531 L532 Q534 K537 S548 D549	W524-C531 WeakPolarHBondContact O-CA 3.31Å; W524-L532 PolarHBondContact N-O 2.87Å; W524-L532 PolarHBondContact O-N 2.96Å; W524-Q534 HydrophobicContact CB-CB 4.33Å; W524-Q534 HydrophobicContact CB-CG 4.3Å; W524-K537 HydrophobicContact CD2-CD 4.16Å; W524-K537 HydrophobicContact CE3-CD 4.47Å; W524-K537 HydrophobicContact CZ2-CD 4.2Å; W524-S548 WeakPolarHBondContact CH2-O 3.41Å; W524-D549 HydrophobicContact CZ3-CB 4.38Å
525	R	62.7	Low	62.1	Low	81 Å²	81	81.6 Å²	81.6	31%	0.306	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	121.4	-170	-160.9	-174.1	-174.3	-143.3	-5.6	111.7	C502 G529 V530	C502-R525 VanDerWaalsContact O-CZ 3.23Å; C502-R525 PolarHBondContact O-NH1 2.77Å; C502-R525 PolarHBondContact O-NH2 3.07Å; R525-G529 PolarHBondContact NE-O 3.17Å; R525-G529 VanDerWaalsContact NH2-CA 3.3Å; R525-G529 PolarHBondContact NH2-O 3.43Å; R525-V530 CarbonylContact C-O 3.4Å; R525-V530 WeakPolarHBondContact CA-O 3.01Å
526	C	62.2	Low	62.1	Low	4 Å²	4	76.2 Å²	76.2	3%	0.027	44%	0.435	C	S	.	.			trans	-61.9	157.8	167.9	-55.7	0	0	0	0	111.1	N528 G529 V530 L532 C544 S548	C526-N528 VanDerWaalsContact C-N 3.3Å; C526-N528 WeakPolarHBondContact CB-OD1 3.42Å; C526-N528 PolarHBondContact O-N 3.31Å; C526-G529 WeakPolarHBondContact O-CA 3.36Å; C526-G529 PolarHBondContact O-N 2.85Å; C526-V530 HydrophobicContact CB-CB 4.41Å; C526-V530 PolarHBondContact N-O 3.08Å; C526-L532 VanDerWaalsContact SG-CD1 3.57Å; C526-C544 HydrophobicContact CB-CB 3.79Å; C526-C544 WeakPolarHBondContact CB-SG 3.19Å; C526-C544 WeakPolarHBondContact SG-CB 3.29Å; C526-C544 CovalentContact SG-SG 2.04Å; C526-C544 PolarHBondContact SG-SG 2.76Å; C526-S548 VanDerWaalsContact CA-OG 3.27Å; C526-S548 WeakPolarHBondContact CA-OG 3.08Å; C526-S548 WeakPolarHBondContact CB-OG 3.19Å
527	G	54.2	Low	62.6	Low	67 Å²	67	72.6 Å²	72.6	69%	0.691	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-33	177.7	0	0	0	0	0	113.9	G529 D546 S548	G527-G529 PolarHBondContact O-N 3.03Å; G527-D546 VanDerWaalsContact C-OD2 3.31Å; G527-D546 VanDerWaalsContact CA-OD2 3.24Å; G527-D546 WeakPolarHBondContact CA-OD2 3.28Å; G527-D546 PolarHBondContact N-OD2 3.07Å; G527-D546 VanDerWaalsContact N-OD2 3.09Å; G527-S548 PolarHBondContact N-OG 3.09Å
528	N	51.5	Low	62.7	Low	65 Å²	65	73.6 Å²	73.6	35%	0.348	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-2.3	170.7	75.6	-3.8	0	0	0	113.9	C526 V530 D546	C526-N528 VanDerWaalsContact C-N 3.3Å; C526-N528 WeakPolarHBondContact CB-OD1 3.42Å; C526-N528 PolarHBondContact O-N 3.31Å; N528-V530 WeakPolarHBondContact OD1-CB 3.1Å; N528-V530 WeakPolarHBondContact OD1-CG2 3.34Å; N528-V530 PolarHBondContact OD1-N 3.27Å; N528-V530 VanDerWaalsContact OD1-N 3.13Å; N528-D546 HydrophobicContact CB-CB 4.47Å; N528-D546 PolarHBondContact N-OD2 2.95Å
529	G	56.7	Low	63.2	Low	19 Å²	19	71 Å²	71	20%	0.196	40%	0.397	C	S	.	.	S	Bend	trans	95.2	-3.5	173	0	0	0	0	0	116.3	R525 C526 G527	R525-G529 PolarHBondContact NE-O 3.17Å; R525-G529 VanDerWaalsContact NH2-CA 3.3Å; R525-G529 PolarHBondContact NH2-O 3.43Å; C526-G529 WeakPolarHBondContact O-CA 3.36Å; C526-G529 PolarHBondContact O-N 2.85Å; G527-G529 PolarHBondContact O-N 3.03Å
530	V	62.5	Low	63.1	Low	70 Å²	70	77.9 Å²	77.9	42%	0.424	42%	0.424	S	S	.	.			trans	-72.9	136.3	179.7	176.8	0	0	0	0	111.5	R525 C526 N528 L532	R525-V530 CarbonylContact C-O 3.4Å; R525-V530 WeakPolarHBondContact CA-O 3.01Å; C526-V530 HydrophobicContact CB-CB 4.41Å; C526-V530 PolarHBondContact N-O 3.08Å; N528-V530 WeakPolarHBondContact OD1-CB 3.1Å; N528-V530 WeakPolarHBondContact OD1-CG2 3.34Å; N528-V530 PolarHBondContact OD1-N 3.27Å; N528-V530 VanDerWaalsContact OD1-N 3.13Å; V530-L532 HydrophobicContact CG1-CD2 4.1Å; V530-L532 HydrophobicContact CG1-CG 4.27Å
531	C	68.8	Low	63	Low	53 Å²	53	77.8 Å²	77.8	36%	0.358	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	126.9	171.1	-57.2	0	0	0	0	110.4	C519 E523 W524	C519-C531 HydrophobicContact CB-CB 3.77Å; C519-C531 WeakPolarHBondContact CB-SG 3.44Å; C519-C531 WeakPolarHBondContact SG-CB 3.12Å; C519-C531 CovalentContact SG-SG 2.04Å; C519-C531 PolarHBondContact SG-SG 3.47Å; E523-C531 HydrophobicContact CB-CB 4.3Å; W524-C531 WeakPolarHBondContact O-CA 3.31Å
532	L	69.1	Low	63.3	Low	38 Å²	38	78.7 Å²	78.7	20%	0.199	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	159.7	173.8	-64.3	-178.6	0	0	0	110.6	E523 W524 C526 V530 Q534 V536 D543	E523-L532 CarbonylContact C-O 3.52Å; E523-L532 WeakPolarHBondContact CA-O 3.26Å; W524-L532 PolarHBondContact N-O 2.87Å; W524-L532 PolarHBondContact O-N 2.96Å; C526-L532 VanDerWaalsContact SG-CD1 3.57Å; V530-L532 HydrophobicContact CG1-CD2 4.1Å; V530-L532 HydrophobicContact CG1-CG 4.27Å; L532-Q534 PolarHBondContact O-N 3.42Å; L532-V536 HydrophobicContact CB-CG2 3.8Å; L532-V536 HydrophobicContact CD1-CG2 4.08Å; L532-D543 HydrophobicContact CD1-CB 4.12Å
533	P	72.1	Confident	63.7	Low	67 Å²	67	75.8 Å²	75.8	44%	0.435	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	137.3	176	-22.7	34.2	0	0	0	111.6	D535 V536	P533-D535 PolarHBondContact O-N 3.03Å; P533-V536 WeakPolarHBondContact O-CG2 3.44Å; P533-V536 PolarHBondContact O-N 2.92Å
534	Q	66.1	Low	63.7	Low	119 Å²	119	72 Å²	72	56%	0.556	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-60.6	-19.2	-174.9	-172	169	-2	0	0	113.8	N522 W524 L532 V536 K537	N522-Q534 PolarHBondContact O-N 3Å; W524-Q534 HydrophobicContact CB-CB 4.33Å; W524-Q534 HydrophobicContact CB-CG 4.3Å; L532-Q534 PolarHBondContact O-N 3.42Å; Q534-V536 PolarHBondContact O-N 2.84Å; Q534-K537 PolarHBondContact O-N 3.12Å
535	D	67	Low	63.6	Low	151 Å²	151	76.6 Å²	76.6	81%	0.807	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-64	-14	174.3	-54.8	-49.7	0	0	0	114.4	P533	P533-D535 PolarHBondContact O-N 3.03Å
536	V	67.7	Low	63.2	Low	22 Å²	22	74.9 Å²	74.9	13%	0.133	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-84.4	-15.1	178.8	-55.5	0	0	0	0	114.2	L532 P533 Q534 C538 N539 D543	L532-V536 HydrophobicContact CB-CG2 3.8Å; L532-V536 HydrophobicContact CD1-CG2 4.08Å; P533-V536 WeakPolarHBondContact O-CG2 3.44Å; P533-V536 PolarHBondContact O-N 2.92Å; Q534-V536 PolarHBondContact O-N 2.84Å; V536-C538 PolarHBondContact O-N 2.84Å; V536-N539 WeakPolarHBondContact CA-ND2 3.4Å; V536-N539 WeakPolarHBondContact O-CB 3.35Å; V536-N539 PolarHBondContact O-ND2 3.12Å; V536-D543 HydrophobicContact CB-CB 4.18Å; V536-D543 HydrophobicContact CG1-CB 4.36Å; V536-D543 HydrophobicContact CG2-CB 4.49Å
537	K	68.8	Low	63.1	Low	72 Å²	72	75.2 Å²	75.2	31%	0.313	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	130	-175	-167.7	-176.8	176.6	-179.4	0	111.4	W524 Q534 N539 D549	W524-K537 HydrophobicContact CD2-CD 4.16Å; W524-K537 HydrophobicContact CE3-CD 4.47Å; W524-K537 HydrophobicContact CZ2-CD 4.2Å; Q534-K537 PolarHBondContact O-N 3.12Å; K537-N539 VanDerWaalsContact C-N 3.3Å; K537-N539 PolarHBondContact O-N 2.79Å; K537-D549 WeakPolarHBondContact CG-O 3.1Å
538	C	66.4	Low	63.5	Low	53 Å²	53	73.1 Å²	73.1	36%	0.358	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	34.3	-178.2	-54.5	0	0	0	0	114	V536 D549 E550 C553	V536-C538 PolarHBondContact O-N 2.84Å; C538-D549 PolarHBondContact N-O 3.07Å; C538-D549 VanDerWaalsContact N-O 3.14Å; C538-E550 WeakPolarHBondContact CA-OE1 3.45Å; C538-E550 PolarHBondContact N-OE1 3.31Å; C538-C553 WeakPolarHBondContact CA-SG 3.47Å; C538-C553 HydrophobicContact CB-CB 3.87Å; C538-C553 WeakPolarHBondContact CB-SG 3.28Å; C538-C553 VanDerWaalsContact SG-CA 3.52Å; C538-C553 WeakPolarHBondContact SG-CB 3.24Å; C538-C553 CovalentContact SG-SG 2.03Å; C538-C553 PolarHBondContact SG-SG 3.2Å
539	N	65.5	Low	64.2	Low	58 Å²	58	70 Å²	70	31%	0.31	37%	0.368	S	S	.	.	S	Bend	trans	-90.9	-6.1	-179.1	80.2	5.6	0	0	0	114	V536 K537 M541 D543 E550	V536-N539 WeakPolarHBondContact CA-ND2 3.4Å; V536-N539 WeakPolarHBondContact O-CB 3.35Å; V536-N539 PolarHBondContact O-ND2 3.12Å; K537-N539 VanDerWaalsContact C-N 3.3Å; K537-N539 PolarHBondContact O-N 2.79Å; N539-M541 VanDerWaalsContact C-N 3.32Å; N539-M541 WeakPolarHBondContact OD1-CA 3.26Å; N539-M541 WeakPolarHBondContact OD1-CB 2.97Å; N539-M541 PolarHBondContact OD1-N 2.8Å; N539-M541 PolarHBondContact OD1-O 3.18Å; N539-D543 PolarHBondContact ND2-OD2 2.9Å; N539-E550 PolarHBondContact N-OE1 2.9Å
540	K	58.1	Low	64.8	Low	175 Å²	175	71.9 Å²	71.9	76%	0.761	37%	0.371	S	S	*	.	S	Bend	trans	70.1	18.3	-177.3	-49.5	-178.2	-178.8	-175.1	0	115.6	E550	K540-E550 WeakPolarHBondContact CA-OE2 3.12Å; K540-E550 VanDerWaalsContact N-CD 3.25Å; K540-E550 PolarHBondContact N-OE1 3.3Å; K540-E550 PolarHBondContact N-OE2 2.88Å
541	M	57.3	Low	64.6	Low	124 Å²	124	72.2 Å²	72.2	61%	0.611	38%	0.381	S	S	*	.	S	Bend	trans	-113.7	163.8	166.3	-63.9	-177	47.3	0	0	108.7	N539 E550	N539-M541 VanDerWaalsContact C-N 3.32Å; N539-M541 WeakPolarHBondContact OD1-CA 3.26Å; N539-M541 WeakPolarHBondContact OD1-CB 2.97Å; N539-M541 PolarHBondContact OD1-N 2.8Å; N539-M541 PolarHBondContact OD1-O 3.18Å; M541-E550 WeakPolarHBondContact O-CG 3.1Å
542	K	63.5	Low	64	Low	132 Å²	132	73.8 Å²	73.8	57%	0.574	39%	0.393	S	S	*	.			trans	-103.1	93.1	174.2	-177.8	177.5	177.1	174.7	0	108	C544 E545	K542-C544 WeakPolarHBondContact CE-O 2.99Å; K542-C544 WeakPolarHBondContact CG-O 3.27Å; K542-E545 VanDerWaalsContact CE-C 3.43Å; K542-E545 WeakPolarHBondContact CE-O 3.43Å; K542-E545 PolarHBondContact NZ-O 3.46Å
543	D	71.2	Confident	63.8	Low	71 Å²	71	73.9 Å²	73.9	38%	0.38	40%	0.396	S	S	.	.			trans	-96.3	-30.6	178.2	-70	-45.3	0	0	0	111.3	L532 V536 N539 D549	L532-D543 HydrophobicContact CD1-CB 4.12Å; V536-D543 HydrophobicContact CB-CB 4.18Å; V536-D543 HydrophobicContact CG1-CB 4.36Å; V536-D543 HydrophobicContact CG2-CB 4.49Å; N539-D543 PolarHBondContact ND2-OD2 2.9Å; D543-D549 WeakPolarHBondContact CA-OD2 3.47Å; D543-D549 PolarHBondContact N-OD2 2.64Å
544	C	65.1	Low	62.8	Low	2 Å²	2	79.9 Å²	79.9	1%	0.014	42%	0.418	C	S	.	.	S	Bend	trans	-81	134.7	165.4	-64.3	0	0	0	0	111.4	C526 K542 D546 G547 D549	C526-C544 HydrophobicContact CB-CB 3.79Å; C526-C544 WeakPolarHBondContact CB-SG 3.19Å; C526-C544 WeakPolarHBondContact SG-CB 3.29Å; C526-C544 CovalentContact SG-SG 2.04Å; C526-C544 PolarHBondContact SG-SG 2.76Å; K542-C544 WeakPolarHBondContact CE-O 2.99Å; K542-C544 WeakPolarHBondContact CG-O 3.27Å; C544-D546 WeakPolarHBondContact CB-OD1 3.48Å; C544-D546 PolarHBondContact O-N 2.03Å; C544-D546 VanDerWaalsContact O-N 3.11Å; C544-G547 PolarHBondContact O-N 2.91Å; C544-D549 HydrophobicContact CB-CB 4.3Å; C544-D549 PolarHBondContact N-OD2 3.4Å
545	E	58.3	Low	61.9	Low	165 Å²	165	80.7 Å²	80.7	77%	0.771	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-22.3	177.6	-81	-167.8	133.4	0	0	114.2	K542	K542-E545 VanDerWaalsContact CE-C 3.43Å; K542-E545 WeakPolarHBondContact CE-O 3.43Å; K542-E545 PolarHBondContact NZ-O 3.46Å
546	D	55.5	Low	60.7	Low	45 Å²	45	77.2 Å²	77.2	24%	0.241	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-16.5	175.7	61.5	6.3	0	0	0	114.1	G527 N528 C544 S548 Y563	G527-D546 VanDerWaalsContact C-OD2 3.31Å; G527-D546 VanDerWaalsContact CA-OD2 3.24Å; G527-D546 WeakPolarHBondContact CA-OD2 3.28Å; G527-D546 PolarHBondContact N-OD2 3.07Å; G527-D546 VanDerWaalsContact N-OD2 3.09Å; N528-D546 HydrophobicContact CB-CB 4.47Å; N528-D546 PolarHBondContact N-OD2 2.95Å; C544-D546 WeakPolarHBondContact CB-OD1 3.48Å; C544-D546 PolarHBondContact O-N 2.03Å; C544-D546 VanDerWaalsContact O-N 3.11Å; D546-S548 VanDerWaalsContact OD1-CB 3.24Å; D546-S548 WeakPolarHBondContact OD1-CB 3.3Å; D546-S548 PolarHBondContact OD1-N 2.94Å; D546-S548 PolarHBondContact OD1-OG 3.02Å; D546-S548 PolarHBondContact OD2-OG 3.43Å; D546-S548 VanDerWaalsContact OD2-OG 3.14Å; D546-Y563 PolarHBondContact O-OH 3.4Å
547	G	58.6	Low	59.7	Low	12 Å²	12	82 Å²	82	12%	0.124	45%	0.446	C	S	.	.			trans	79.4	15.7	-173.8	0	0	0	0	0	115.1	C544 D549 E550 A551	C544-G547 PolarHBondContact O-N 2.91Å; G547-D549 VanDerWaalsContact C-N 3.28Å; G547-D549 WeakPolarHBondContact CA-OD1 3.03Å; G547-D549 PolarHBondContact O-N 3.05Å; G547-E550 PolarHBondContact O-N 3.47Å; G547-A551 PolarHBondContact O-N 3.25Å
548	S	63.4	Low	58.5	Low	23 Å²	23	86 Å²	86	16%	0.161	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-19.8	-178.5	56.5	0	0	0	0	114.7	W524 C526 G527 D546 E550	W524-S548 WeakPolarHBondContact CH2-O 3.41Å; C526-S548 VanDerWaalsContact CA-OG 3.27Å; C526-S548 WeakPolarHBondContact CA-OG 3.08Å; C526-S548 WeakPolarHBondContact CB-OG 3.19Å; G527-S548 PolarHBondContact N-OG 3.09Å; D546-S548 VanDerWaalsContact OD1-CB 3.24Å; D546-S548 WeakPolarHBondContact OD1-CB 3.3Å; D546-S548 PolarHBondContact OD1-N 2.94Å; D546-S548 PolarHBondContact OD1-OG 3.02Å; D546-S548 PolarHBondContact OD2-OG 3.43Å; D546-S548 VanDerWaalsContact OD2-OG 3.14Å; S548-E550 VanDerWaalsContact C-N 3.31Å; S548-E550 PolarHBondContact O-N 3.01Å
549	D	66.1	Low	57.6	Low	0 Å²	0	91 Å²	91	0%	0	49%	0.493	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-37.3	169.1	42.4	-7.1	0	0	0	113.5	W524 K537 C538 D543 C544 G547	W524-D549 HydrophobicContact CZ3-CB 4.38Å; K537-D549 WeakPolarHBondContact CG-O 3.1Å; C538-D549 PolarHBondContact N-O 3.07Å; C538-D549 VanDerWaalsContact N-O 3.14Å; D543-D549 WeakPolarHBondContact CA-OD2 3.47Å; D543-D549 PolarHBondContact N-OD2 2.64Å; C544-D549 HydrophobicContact CB-CB 4.3Å; C544-D549 PolarHBondContact N-OD2 3.4Å; G547-D549 VanDerWaalsContact C-N 3.28Å; G547-D549 WeakPolarHBondContact CA-OD1 3.03Å; G547-D549 PolarHBondContact O-N 3.05Å
550	E	70.3	Confident	56.9	Low	58 Å²	58	91 Å²	91	27%	0.271	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-9.3	-178.7	-62.8	-60.3	115.1	0	0	113.8	C538 N539 K540 M541 G547 S548 S552 C553	C538-E550 WeakPolarHBondContact CA-OE1 3.45Å; C538-E550 PolarHBondContact N-OE1 3.31Å; N539-E550 PolarHBondContact N-OE1 2.9Å; K540-E550 WeakPolarHBondContact CA-OE2 3.12Å; K540-E550 VanDerWaalsContact N-CD 3.25Å; K540-E550 PolarHBondContact N-OE1 3.3Å; K540-E550 PolarHBondContact N-OE2 2.88Å; M541-E550 WeakPolarHBondContact O-CG 3.1Å; G547-E550 PolarHBondContact O-N 3.47Å; S548-E550 VanDerWaalsContact C-N 3.31Å; S548-E550 PolarHBondContact O-N 3.01Å; E550-S552 VanDerWaalsContact C-N 3.26Å; E550-S552 PolarHBondContact O-N 2.99Å; E550-C553 PolarHBondContact O-SG 3.26Å; E550-C553 VanDerWaalsContact O-SG 3.35Å
551	A	57	Low	56.8	Low	76 Å²	76	85.7 Å²	85.7	63%	0.628	48%	0.482	S	S	*	.	S	Bend	trans	-73.9	-7.3	-171.1	0	0	0	0	0	115.4	G547	G547-A551 PolarHBondContact O-N 3.25Å
552	S	57.8	Low	56.5	Low	86 Å²	86	83.3 Å²	83.3	60%	0.601	48%	0.482	S	S	*	.	S	Bend	trans	-141.1	59.9	-171.5	-170	0	0	0	0	111	E550	E550-S552 VanDerWaalsContact C-N 3.26Å; E550-S552 PolarHBondContact O-N 2.99Å
553	C	62.9	Low	55.9	Low	40 Å²	40	83 Å²	83	27%	0.27	48%	0.478	S	S	.	.			trans	-125	123.5	-171.7	-58.4	0	0	0	0	111.1	C538 E550 N555	C538-C553 WeakPolarHBondContact CA-SG 3.47Å; C538-C553 HydrophobicContact CB-CB 3.87Å; C538-C553 WeakPolarHBondContact CB-SG 3.28Å; C538-C553 VanDerWaalsContact SG-CA 3.52Å; C538-C553 WeakPolarHBondContact SG-CB 3.24Å; C538-C553 CovalentContact SG-SG 2.03Å; C538-C553 PolarHBondContact SG-SG 3.2Å; E550-C553 PolarHBondContact O-SG 3.26Å; E550-C553 VanDerWaalsContact O-SG 3.35Å; C553-N555 VanDerWaalsContact C-N 3.31Å; C553-N555 PolarHBondContact O-N 2.71Å; C553-N555 VanDerWaalsContact O-N 3.14Å
554	E	51.2	Low	55.5	Low	193 Å²	193	80 Å²	80	90%	0.902	46%	0.462	S	S	*	.	S	Bend	trans	-76.6	-3.7	-158.3	-147.5	173.3	-140.3	0	0	115.6
555	N	47.4	Very low	55.7	Low	137 Å²	137	80.8 Å²	80.8	73%	0.733	47%	0.465	S	S	*	.			trans	-154.2	102.3	-173.4	-85.2	-87.9	0	0	0	115.2	C553	C553-N555 VanDerWaalsContact C-N 3.31Å; C553-N555 PolarHBondContact O-N 2.71Å; C553-N555 VanDerWaalsContact O-N 3.14Å
556	S	42.3	Very low	56.4	Low	78 Å²	78	79.3 Å²	79.3	55%	0.545	46%	0.457	S	S	.	.			trans	-158	96.3	157	58.6	0	0	0	0	112.7	D558	S556-D558 PolarHBondContact O-N 2.67Å
557	P	46.8	Very low	57.3	Low	123 Å²	123	77.3 Å²	77.3	80%	0.799	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-2.3	-166.7	-22.2	35.4	0	0	0	119.3
558	D	43.5	Very low	58.1	Low	155 Å²	155	80.9 Å²	80.9	83%	0.829	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.1	15.3	-161.2	-84.5	-64.3	0	0	0	115.5	S556	S556-D558 PolarHBondContact O-N 2.67Å
559	L	47.2	Very low	58.4	Low	157 Å²	157	83 Å²	83	82%	0.822	49%	0.49	S	S	*	.			trans	-147.6	109.9	176.4	-149.3	78.3	0	0	0	113
560	C	50.9	Low	58.5	Low	59 Å²	59	85.1 Å²	85.1	40%	0.399	51%	0.511	S	S	.	.			trans	-65.1	133	169.2	-50.8	0	0	0	0	109.9	C572	C560-C572 HydrophobicContact CB-CB 3.87Å; C560-C572 WeakPolarHBondContact CB-SG 3.21Å; C560-C572 WeakPolarHBondContact SG-CB 3.44Å; C560-C572 CovalentContact SG-SG 2.03Å; C560-C572 PolarHBondContact SG-SG 2.72Å
561	S	56.2	Low	58.6	Low	63 Å²	63	87.5 Å²	87.5	44%	0.441	52%	0.522	S	S	.	.			trans	-93	176.9	175.6	78.4	0	0	0	0	110.9	Y563 S564	S561-Y563 PolarHBondContact O-N 3.44Å; S561-Y563 PolarHBondContact OG-N 3.35Å; S561-S564 PolarHBondContact N-OG 3.34Å; S561-S564 PolarHBondContact O-OG 2.02Å; S561-S564 PolarHBondContact OG-N 3.42Å
562	A	52.3	Low	59.2	Low	74 Å²	74	85.4 Å²	85.4	61%	0.612	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-9.9	170.1	0	0	0	0	0	113.6	S726	A562-S726 WeakPolarHBondContact O-CB 3.43Å
563	Y	50.1	Low	59.7	Low	126 Å²	126	82.3 Å²	82.3	49%	0.494	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	6.7	-172.4	-51.3	-69.2	0	0	0	113.5	D546 S561	D546-Y563 PolarHBondContact O-OH 3.4Å; S561-Y563 PolarHBondContact O-N 3.44Å; S561-Y563 PolarHBondContact OG-N 3.35Å
564	S	63.5	Low	59.6	Low	7 Å²	7	86.6 Å²	86.6	5%	0.049	50%	0.5	C	S	.	.	S	Bend	trans	-107.6	129.6	175.3	56.7	0	0	0	0	110.3	S561 V573 N574	S561-S564 PolarHBondContact N-OG 3.34Å; S561-S564 PolarHBondContact O-OG 2.02Å; S561-S564 PolarHBondContact OG-N 3.42Å; S564-V573 CarbonylContact C-O 3.56Å; S564-V573 VanDerWaalsContact CA-O 3.3Å; S564-V573 WeakPolarHBondContact CA-O 3.47Å; S564-V573 WeakPolarHBondContact CB-O 3.45Å; S564-N574 VanDerWaalsContact CB-OD1 3.31Å; S564-N574 WeakPolarHBondContact CB-OD1 3.26Å
565	F	68.1	Low	60.3	Low	19 Å²	19	80.1 Å²	80.1	8%	0.083	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	145.9	171.4	-177.8	-99.5	0	0	0	109.9	C572 V573 A578 E579 D591	F565-C572 CarbonylContact O-C 3.46Å; F565-C572 VanDerWaalsContact O-CA 3.23Å; F565-C572 WeakPolarHBondContact O-CA 3.28Å; F565-V573 PolarHBondContact N-O 2.83Å; F565-V573 PolarHBondContact O-N 3.05Å; F565-A578 HydrophobicContact CB-CB 4.11Å; F565-E579 HydrophobicContact CD2-CB 4.22Å; F565-E579 HydrophobicContact CE2-CB 3.87Å; F565-E579 HydrophobicContact CE2-CG 4.04Å; F565-D591 HydrophobicContact CD1-CB 4.49Å; F565-D591 HydrophobicContact CE1-CB 3.88Å; F565-D591 HydrophobicContact CZ-CB 4.41Å
566	K	72.9	Confident	61.2	Low	135 Å²	135	78.3 Å²	78.3	59%	0.587	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	110.7	-176.5	-179.6	173.6	179.6	-176.5	0	111
567	C	75.4	Confident	62.7	Low	2 Å²	2	75.8 Å²	75.8	1%	0.014	44%	0.443	C	S	.	.			trans	-63.1	154.7	175.5	-49.4	0	0	0	0	111.4	S569 G570 E571 C586 S590	C567-S569 WeakPolarHBondContact CB-OG 3.37Å; C567-S569 PolarHBondContact O-N 2.96Å; C567-G570 PolarHBondContact O-N 3.18Å; C567-E571 HydrophobicContact CB-CB 4.33Å; C567-E571 PolarHBondContact N-O 2.69Å; C567-C586 VanDerWaalsContact CA-SG 3.59Å; C567-C586 HydrophobicContact CB-CB 3.8Å; C567-C586 WeakPolarHBondContact CB-SG 3.21Å; C567-C586 VanDerWaalsContact SG-CA 3.57Å; C567-C586 WeakPolarHBondContact SG-CB 3.48Å; C567-C586 CovalentContact SG-SG 2.04Å; C567-C586 PolarHBondContact SG-SG 3.32Å; C567-S590 WeakPolarHBondContact CA-OG 3.46Å
568	A	74.6	Confident	64	Low	88 Å²	88	70 Å²	70	73%	0.727	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-27.1	175.7	0	0	0	0	0	112.5	G570 D588 S590	A568-G570 PolarHBondContact O-N 2.82Å; A568-D588 WeakPolarHBondContact CB-OD2 3.09Å; A568-D588 PolarHBondContact N-OD2 3.32Å; A568-S590 PolarHBondContact N-OG 3.16Å
569	S	69.4	Low	65.5	Low	68 Å²	68	64.4 Å²	64.4	48%	0.476	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-21.4	169.4	69.2	0	0	0	0	114.3	C567 E571 D588	C567-S569 WeakPolarHBondContact CB-OG 3.37Å; C567-S569 PolarHBondContact O-N 2.96Å; S569-E571 WeakPolarHBondContact OG-CB 3.31Å; S569-E571 PolarHBondContact OG-N 2.83Å; S569-D588 WeakPolarHBondContact CB-OD2 3.48Å; S569-D588 PolarHBondContact N-OD2 2.73Å
570	G	67.9	Low	66.8	Low	43 Å²	43	57.3 Å²	57.3	44%	0.443	34%	0.338	S	S	.	.	S	Bend	trans	91.9	-3.3	-172.2	0	0	0	0	0	114.6	C567 A568	C567-G570 PolarHBondContact O-N 3.18Å; A568-G570 PolarHBondContact O-N 2.82Å
571	E	73.2	Confident	67.8	Low	109 Å²	109	56.7 Å²	56.7	51%	0.509	33%	0.33	S	S	.	.			trans	-68.5	154.9	167.8	-172.3	163.4	-151.3	0	0	111	C567 S569	C567-E571 HydrophobicContact CB-CB 4.33Å; C567-E571 PolarHBondContact N-O 2.69Å; S569-E571 WeakPolarHBondContact OG-CB 3.31Å; S569-E571 PolarHBondContact OG-N 2.83Å
572	C	68.9	Low	68.5	Low	31 Å²	31	57.4 Å²	57.4	21%	0.209	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	120.6	-179	-78.1	0	0	0	0	111.6	C560 F565	C560-C572 HydrophobicContact CB-CB 3.87Å; C560-C572 WeakPolarHBondContact CB-SG 3.21Å; C560-C572 WeakPolarHBondContact SG-CB 3.44Å; C560-C572 CovalentContact SG-SG 2.03Å; C560-C572 PolarHBondContact SG-SG 2.72Å; F565-C572 CarbonylContact O-C 3.46Å; F565-C572 VanDerWaalsContact O-CA 3.23Å; F565-C572 WeakPolarHBondContact O-CA 3.28Å
573	V	68.2	Low	69.6	Low	22 Å²	22	57.5 Å²	57.5	13%	0.133	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	122.1	-175.3	-177.8	0	0	0	0	109.4	S564 F565 K575 A578 D585	S564-V573 CarbonylContact C-O 3.56Å; S564-V573 VanDerWaalsContact CA-O 3.3Å; S564-V573 WeakPolarHBondContact CA-O 3.47Å; S564-V573 WeakPolarHBondContact CB-O 3.45Å; F565-V573 PolarHBondContact N-O 2.83Å; F565-V573 PolarHBondContact O-N 3.05Å; V573-K575 VanDerWaalsContact C-N 3.26Å; V573-K575 HydrophobicContact CG1-CB 3.75Å; V573-K575 PolarHBondContact O-N 2.94Å; V573-K575 VanDerWaalsContact O-N 3.13Å; V573-A578 HydrophobicContact CG1-CB 4.36Å; V573-D585 HydrophobicContact CG1-CB 3.77Å; V573-D585 HydrophobicContact CG2-CB 4.09Å
574	N	61.4	Low	70.9	Confident	129 Å²	129	55.6 Å²	55.6	69%	0.69	33%	0.332	S	S	*	.			trans	-87.9	59.1	176.9	-68.1	-29.4	0	0	0	111.3	S564	S564-N574 VanDerWaalsContact CB-OD1 3.31Å; S564-N574 WeakPolarHBondContact CB-OD1 3.26Å
575	K	65.7	Low	71.5	Confident	58 Å²	58	57.9 Å²	57.9	25%	0.252	34%	0.343	S	S	.	.	S	Bend	trans	-132.9	137.5	177.3	178.1	-171.4	164.9	-162.8	0	108.6	V573 A578 D581 D585	V573-K575 VanDerWaalsContact C-N 3.26Å; V573-K575 HydrophobicContact CG1-CB 3.75Å; V573-K575 PolarHBondContact O-N 2.94Å; V573-K575 VanDerWaalsContact O-N 3.13Å; K575-A578 HydrophobicContact CB-CB 4.04Å; K575-A578 HydrophobicContact CD-CB 3.94Å; K575-A578 HydrophobicContact CG-CB 4.11Å; K575-D581 WeakPolarHBondContact CE-OD2 3.49Å; K575-D581 IonicContact NZ-OD1 3.9Å; K575-D581 PolarHBondContact NZ-OD1 3.48Å; K575-D581 VanDerWaalsContact NZ-OD1 3.1Å; K575-D581 IonicContact NZ-OD2 3.1Å; K575-D581 PolarHBondContact NZ-OD2 2.75Å; K575-D585 WeakPolarHBondContact CD-OD1 3.29Å; K575-D585 WeakPolarHBondContact CD-OD2 3.21Å; K575-D585 WeakPolarHBondContact CE-OD2 3.45Å; K575-D585 IonicContact NZ-OD1 2.67Å; K575-D585 PolarHBondContact NZ-OD1 2.73Å; K575-D585 IonicContact NZ-OD2 2.93Å; K575-D585 PolarHBondContact NZ-OD2 3.2Å
576	V	67.1	Low	72	Confident	99 Å²	99	57 Å²	57	60%	0.6	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	136	179.3	-178.9	0	0	0	0	109.3	A578 V728	V576-A578 VanDerWaalsContact C-N 3.26Å; V576-A578 PolarHBondContact O-N 3.44Å; V576-V728 HydrophobicContact CG1-CB 4.22Å
577	N	73.6	Confident	72.2	Confident	25 Å²	25	60.4 Å²	60.4	13%	0.134	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	34.6	176.9	-57.3	-1.4	0	0	0	114.8	E579 H727 V728 E806	N577-E579 PolarHBondContact O-N 2.9Å; N577-H727 PolarHBondContact ND2-NE2 3.23Å; N577-V728 PolarHBondContact ND2-O 3.07Å; N577-V728 VanDerWaalsContact ND2-O 3.09Å; N577-V728 PolarHBondContact OD1-N 3.44Å; N577-E806 PolarHBondContact ND2-OE2 3.12Å
578	A	73	Confident	72.3	Confident	2 Å²	2	62.7 Å²	62.7	2%	0.017	36%	0.362	C	S	.	.			trans	-71.9	38.3	177.7	0	0	0	0	0	114.9	F565 V573 K575 V576 D585 D591	F565-A578 HydrophobicContact CB-CB 4.11Å; V573-A578 HydrophobicContact CG1-CB 4.36Å; K575-A578 HydrophobicContact CB-CB 4.04Å; K575-A578 HydrophobicContact CD-CB 3.94Å; K575-A578 HydrophobicContact CG-CB 4.11Å; V576-A578 VanDerWaalsContact C-N 3.26Å; V576-A578 PolarHBondContact O-N 3.44Å; A578-D585 WeakPolarHBondContact CB-OD2 3.47Å; A578-D591 WeakPolarHBondContact O-CB 3.39Å
579	E	76.9	Confident	72.3	Confident	37 Å²	37	61.7 Å²	61.7	17%	0.173	34%	0.344	C	S	.	.	S	Bend	trans	-125	119.4	177.2	-176.9	178	-137.5	0	0	108	F565 N577 D581 S724	F565-E579 HydrophobicContact CD2-CB 4.22Å; F565-E579 HydrophobicContact CE2-CB 3.87Å; F565-E579 HydrophobicContact CE2-CG 4.04Å; N577-E579 PolarHBondContact O-N 2.9Å; E579-D581 PolarHBondContact O-N 2.84Å; E579-S724 WeakPolarHBondContact OE2-CA 3.27Å; E579-S724 WeakPolarHBondContact OE2-CB 3.24Å; E579-S724 PolarHBondContact OE2-N 2.61Å
580	C	73.8	Confident	72.8	Confident	7 Å²	7	59.8 Å²	59.8	5%	0.047	33%	0.331	C	S	.	.	S	Bend	trans	58.4	23.9	-179.3	-72.2	0	0	0	0	116.1	A582 D591 E592 C595 N808 K810 F812	C580-A582 VanDerWaalsContact C-N 3.26Å; C580-A582 PolarHBondContact O-N 3.26Å; C580-D591 PolarHBondContact N-O 3.38Å; C580-E592 WeakPolarHBondContact CA-OE1 3.35Å; C580-E592 PolarHBondContact N-OE1 2.76Å; C580-C595 WeakPolarHBondContact CA-SG 3.31Å; C580-C595 HydrophobicContact CB-CB 4.13Å; C580-C595 WeakPolarHBondContact CB-SG 3.36Å; C580-C595 WeakPolarHBondContact SG-CA 3.12Å; C580-C595 WeakPolarHBondContact SG-CB 3.36Å; C580-C595 CovalentContact SG-SG 2.05Å; C580-C595 PolarHBondContact SG-SG 2.88Å; C580-N808 PolarHBondContact O-ND2 2.04Å; C580-K810 HydrophobicContact CB-CD 4.14Å; C580-K810 PolarHBondContact O-NZ 3.19Å; C580-K810 VanDerWaalsContact O-NZ 3.13Å; C580-F812 HydrophobicContact CB-CZ 4.25Å
581	D	71.6	Confident	73.2	Confident	46 Å²	46	57.9 Å²	57.9	25%	0.246	31%	0.311	C	S	.	.	S	Bend	trans	-78.6	-1.5	179.7	98.9	-33.9	0	0	0	115	K575 E579 V583 E592	K575-D581 WeakPolarHBondContact CE-OD2 3.49Å; K575-D581 IonicContact NZ-OD1 3.9Å; K575-D581 PolarHBondContact NZ-OD1 3.48Å; K575-D581 VanDerWaalsContact NZ-OD1 3.1Å; K575-D581 IonicContact NZ-OD2 3.1Å; K575-D581 PolarHBondContact NZ-OD2 2.75Å; E579-D581 PolarHBondContact O-N 2.84Å; D581-V583 VanDerWaalsContact C-N 3.33Å; D581-V583 WeakPolarHBondContact OD1-CA 3.33Å; D581-V583 VanDerWaalsContact OD1-CB 3.29Å; D581-V583 WeakPolarHBondContact OD1-CB 3.43Å; D581-V583 PolarHBondContact OD1-N 2.82Å; D581-E592 PolarHBondContact N-OE1 2.93Å
582	A	70.9	Confident	73.5	Confident	79 Å²	79	54.5 Å²	54.5	65%	0.653	30%	0.295	S	S	*	.	S	Bend	trans	71.6	15.3	-175.3	0	0	0	0	0	115.3	C580 E592	C580-A582 VanDerWaalsContact C-N 3.26Å; C580-A582 PolarHBondContact O-N 3.26Å; A582-E592 WeakPolarHBondContact CA-OE1 3.28Å; A582-E592 PolarHBondContact N-OE1 2.82Å
583	V	75.3	Confident	73.5	Confident	76 Å²	76	59.6 Å²	59.6	46%	0.461	32%	0.316	S	S	.	.			trans	-115.3	122.9	168.2	-174.2	0	0	0	0	109.3	D581 D585	D581-V583 VanDerWaalsContact C-N 3.33Å; D581-V583 WeakPolarHBondContact OD1-CA 3.33Å; D581-V583 VanDerWaalsContact OD1-CB 3.29Å; D581-V583 WeakPolarHBondContact OD1-CB 3.43Å; D581-V583 PolarHBondContact OD1-N 2.82Å; V583-D585 PolarHBondContact O-N 3.35Å; V583-D585 VanDerWaalsContact O-N 3.08Å
584	N	77.4	Confident	73.5	Confident	86 Å²	86	63.5 Å²	63.5	46%	0.46	34%	0.344	S	S	.	.			trans	-75.4	94.2	174.5	-178.4	35.9	0	0	0	110.3	C586 N589	N584-C586 PolarHBondContact OD1-O 2.84Å; N584-N589 WeakPolarHBondContact OD1-CA 3.47Å; N584-N589 WeakPolarHBondContact OD1-CB 3.41Å; N584-N589 PolarHBondContact OD1-OD1 3.18Å
585	D	76.9	Confident	74	Confident	55 Å²	55	58.2 Å²	58.2	29%	0.294	32%	0.317	S	S	.	.			trans	-89.6	-31.4	176	-52.7	-60.5	0	0	0	112	V573 K575 A578 V583 D591	V573-D585 HydrophobicContact CG1-CB 3.77Å; V573-D585 HydrophobicContact CG2-CB 4.09Å; K575-D585 WeakPolarHBondContact CD-OD1 3.29Å; K575-D585 WeakPolarHBondContact CD-OD2 3.21Å; K575-D585 WeakPolarHBondContact CE-OD2 3.45Å; K575-D585 IonicContact NZ-OD1 2.67Å; K575-D585 PolarHBondContact NZ-OD1 2.73Å; K575-D585 IonicContact NZ-OD2 2.93Å; K575-D585 PolarHBondContact NZ-OD2 3.2Å; A578-D585 WeakPolarHBondContact CB-OD2 3.47Å; V583-D585 PolarHBondContact O-N 3.35Å; V583-D585 VanDerWaalsContact O-N 3.08Å; D585-D591 PolarHBondContact N-OD2 2.91Å
586	C	76.9	Confident	74.6	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.007	34%	0.344	C	S	.	.	S	Bend	trans	-82.4	131.7	179.2	-76.8	0	0	0	0	111.6	C567 N584 D588 N589 D591	C567-C586 VanDerWaalsContact CA-SG 3.59Å; C567-C586 HydrophobicContact CB-CB 3.8Å; C567-C586 WeakPolarHBondContact CB-SG 3.21Å; C567-C586 VanDerWaalsContact SG-CA 3.57Å; C567-C586 WeakPolarHBondContact SG-CB 3.48Å; C567-C586 CovalentContact SG-SG 2.04Å; C567-C586 PolarHBondContact SG-SG 3.32Å; N584-C586 PolarHBondContact OD1-O 2.84Å; C586-D588 WeakPolarHBondContact CB-OD1 3.39Å; C586-D588 PolarHBondContact O-N 3.09Å; C586-N589 PolarHBondContact O-N 3.21Å; C586-D591 HydrophobicContact CB-CB 4.4Å; C586-D591 WeakPolarHBondContact CB-OD2 3.18Å; C586-D591 PolarHBondContact N-OD2 2.94Å
587	Y	76.9	Confident	75.5	Confident	206 Å²	206	58.9 Å²	58.9	81%	0.808	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-22.9	178.9	-178.7	-99	0	0	0	114.4
588	D	77.8	Confident	76	Confident	50 Å²	50	57.7 Å²	57.7	27%	0.267	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	5	178.5	67.3	-8.8	0	0	0	114.8	A568 S569 C586 S590 Q593	A568-D588 WeakPolarHBondContact CB-OD2 3.09Å; A568-D588 PolarHBondContact N-OD2 3.32Å; S569-D588 WeakPolarHBondContact CB-OD2 3.48Å; S569-D588 PolarHBondContact N-OD2 2.73Å; C586-D588 WeakPolarHBondContact CB-OD1 3.39Å; C586-D588 PolarHBondContact O-N 3.09Å; D588-S590 VanDerWaalsContact CG-OG 3.26Å; D588-S590 PolarHBondContact O-N 2.95Å; D588-S590 VanDerWaalsContact OD1-CB 3.24Å; D588-S590 WeakPolarHBondContact OD1-CB 3.35Å; D588-S590 PolarHBondContact OD1-N 3.09Å; D588-S590 PolarHBondContact OD1-OG 3.25Å; D588-S590 PolarHBondContact OD2-OG 3.3Å; D588-Q593 PolarHBondContact O-NE2 3.04Å
589	N	76.4	Confident	76.5	Confident	66 Å²	66	60.6 Å²	60.6	35%	0.353	33%	0.332	S	S	.	.			trans	54.7	37.8	-179	-160.5	117.9	0	0	0	112.1	N584 C586 D591 E592 Q593	N584-N589 WeakPolarHBondContact OD1-CA 3.47Å; N584-N589 WeakPolarHBondContact OD1-CB 3.41Å; N584-N589 PolarHBondContact OD1-OD1 3.18Å; C586-N589 PolarHBondContact O-N 3.21Å; N589-D591 VanDerWaalsContact CA-OD1 3.3Å; N589-D591 WeakPolarHBondContact CA-OD1 3.48Å; N589-E592 WeakPolarHBondContact ND2-CB 3.42Å; N589-Q593 WeakPolarHBondContact O-CB 3.32Å; N589-Q593 PolarHBondContact O-NE2 2.83Å
590	S	78.5	Confident	76.4	Confident	28 Å²	28	61.2 Å²	61.2	20%	0.196	33%	0.333	C	S	.	.			trans	-86.3	-21.8	-179	56.1	0	0	0	0	114.4	C567 A568 D588	C567-S590 WeakPolarHBondContact CA-OG 3.46Å; A568-S590 PolarHBondContact N-OG 3.16Å; D588-S590 VanDerWaalsContact CG-OG 3.26Å; D588-S590 PolarHBondContact O-N 2.95Å; D588-S590 VanDerWaalsContact OD1-CB 3.24Å; D588-S590 WeakPolarHBondContact OD1-CB 3.35Å; D588-S590 PolarHBondContact OD1-N 3.09Å; D588-S590 PolarHBondContact OD1-OG 3.25Å; D588-S590 PolarHBondContact OD2-OG 3.3Å
591	D	76.1	Confident	75.7	Confident	4 Å²	4	62.8 Å²	62.8	2%	0.021	34%	0.344	C	S	.	.	S	Bend	trans	-58.3	-40.7	163.9	44.7	5.2	0	0	0	113.5	F565 A578 C580 D585 C586 N589	F565-D591 HydrophobicContact CD1-CB 4.49Å; F565-D591 HydrophobicContact CE1-CB 3.88Å; F565-D591 HydrophobicContact CZ-CB 4.41Å; A578-D591 WeakPolarHBondContact O-CB 3.39Å; C580-D591 PolarHBondContact N-O 3.38Å; D585-D591 PolarHBondContact N-OD2 2.91Å; C586-D591 HydrophobicContact CB-CB 4.4Å; C586-D591 WeakPolarHBondContact CB-OD2 3.18Å; C586-D591 PolarHBondContact N-OD2 2.94Å; N589-D591 VanDerWaalsContact CA-OD1 3.3Å; N589-D591 WeakPolarHBondContact CA-OD1 3.48Å
592	E	80.9	Confident	74.9	Confident	38 Å²	38	61.6 Å²	61.6	18%	0.178	34%	0.336	C	S	.	.	S	Bend	trans	-101.3	5.6	-176.2	-72.1	-59.7	136.5	0	0	114.3	C580 D581 A582 N589 C595	C580-E592 WeakPolarHBondContact CA-OE1 3.35Å; C580-E592 PolarHBondContact N-OE1 2.76Å; D581-E592 PolarHBondContact N-OE1 2.93Å; A582-E592 WeakPolarHBondContact CA-OE1 3.28Å; A582-E592 PolarHBondContact N-OE1 2.82Å; N589-E592 WeakPolarHBondContact ND2-CB 3.42Å; E592-C595 WeakPolarHBondContact CA-SG 3.24Å; E592-C595 PolarHBondContact O-SG 2.61Å; E592-C595 VanDerWaalsContact O-SG 3.36Å
593	Q	67.6	Low	73.6	Confident	137 Å²	137	67.7 Å²	67.7	64%	0.64	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-3.6	-166.3	-136.9	162.8	106.5	0	0	116.4	D588 N589	D588-Q593 PolarHBondContact O-NE2 3.04Å; N589-Q593 WeakPolarHBondContact O-CB 3.32Å; N589-Q593 PolarHBondContact O-NE2 2.83Å
594	S	68.9	Low	72.1	Confident	105 Å²	105	68.5 Å²	68.5	73%	0.734	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.9	47.5	-177	-147.8	0	0	0	0	112
595	C	71.9	Confident	70.2	Confident	18 Å²	18	69.6 Å²	69.6	12%	0.122	35%	0.353	C	S	.	.			trans	-103	9.4	-160	-73.7	0	0	0	0	116.2	C580 E592 C597 K810	C580-C595 WeakPolarHBondContact CA-SG 3.31Å; C580-C595 HydrophobicContact CB-CB 4.13Å; C580-C595 WeakPolarHBondContact CB-SG 3.36Å; C580-C595 WeakPolarHBondContact SG-CA 3.12Å; C580-C595 WeakPolarHBondContact SG-CB 3.36Å; C580-C595 CovalentContact SG-SG 2.05Å; C580-C595 PolarHBondContact SG-SG 2.88Å; E592-C595 WeakPolarHBondContact CA-SG 3.24Å; E592-C595 PolarHBondContact O-SG 2.61Å; E592-C595 VanDerWaalsContact O-SG 3.36Å; C595-C597 PolarHBondContact O-N 2.94Å; C595-K810 PolarHBondContact O-NZ 2.89Å
596	D	78.6	Confident	68.1	Low	152 Å²	152	77.1 Å²	77.1	81%	0.813	38%	0.377	S	S	*	.			trans	-79.3	52.6	176.2	-61.1	-42.8	0	0	0	112
597	C	85.8	Confident	66.1	Low	19 Å²	19	81.2 Å²	81.2	13%	0.128	40%	0.398	C	S	.	.			trans	-144	164.7	-176.1	63.2	0	0	0	0	112	C595 T599 P719 C721	C595-C597 PolarHBondContact O-N 2.94Å; C597-T599 PolarHBondContact O-N 3.25Å; C597-P719 HydrophobicContact CB-CG 4.38Å; C597-C721 HydrophobicContact CB-CB 4.02Å; C597-C721 WeakPolarHBondContact CB-SG 3.47Å; C597-C721 PolarHBondContact O-SG 2.04Å; C597-C721 WeakPolarHBondContact SG-CA 3.17Å; C597-C721 WeakPolarHBondContact SG-CB 3.24Å; C597-C721 CovalentContact SG-SG 2.05Å; C597-C721 PolarHBondContact SG-SG 2.71Å
598	G	83	Confident	63.7	Low	0 Å²	0	76.3 Å²	76.3	0%	0	39%	0.39	C	S	.	.	S	Bend	trans	65.5	14.6	170.5	0	0	0	0	0	114.2	P719 C721 W811	G598-P719 PolarHBondContact N-O 2.84Å; G598-C721 PolarHBondContact N-SG 2.89Å; G598-W811 WeakPolarHBondContact CA-O 3.23Å; G598-W811 WeakPolarHBondContact O-CB 3.3Å; G598-W811 PolarHBondContact O-N 3.28Å
599	T	83.4	Confident	61.9	Low	62 Å²	62	75.5 Å²	75.5	38%	0.38	39%	0.393	S	S	.	.			trans	-87.6	144.2	178.8	55.3	0	0	0	0	110.4	C597 W620	C597-T599 PolarHBondContact O-N 3.25Å; T599-W620 WeakPolarHBondContact O-CZ3 3.15Å
600	R	76.6	Confident	60.8	Low	50 Å²	50	74.7 Å²	74.7	19%	0.189	40%	0.401	C	S	.	.			trans	-111.6	115	168	-62.8	-171.4	-162.9	-144.1	18.5	109.1	Y602 A617 W618 W620 W811	R600-Y602 PolarHBondContact O-N 2.93Å; R600-A617 WeakPolarHBondContact CD-O 3.07Å; R600-A617 PolarHBondContact NH1-O 3.1Å; R600-W618 VanDerWaalsContact NH1-CZ2 3.28Å; R600-W618 VanDerWaalsContact NH2-CZ2 3.33Å; R600-W620 HydrophobicContact CG-CH2 3.7Å; R600-W620 HydrophobicContact CG-CZ3 4.07Å; R600-W811 VanDerWaalsContact NE-CE2 3.3Å
601	P	58.3	Low	60.2	Low	41 Å²	41	76.9 Å²	76.9	27%	0.266	41%	0.408	S	S	.	.	S	Bend	trans	-58.9	-22.2	169.1	-27	38	0	0	0	112.9	N715 Q718	P601-N715 HydrophobicContact CB-CB 3.99Å; P601-N715 HydrophobicContact CG-CB 4.31Å; P601-Q718 HydrophobicContact CG-CG 4.27Å
602	Y	54.6	Low	59.9	Low	20 Å²	20	81.6 Å²	81.6	8%	0.078	43%	0.433	C	S	.	.			trans	-109.5	106.8	176.6	-55.8	-70.4	0	0	0	111.5	P291 R600 M604 G616 N715	P291-Y602 HydrophobicContact CG-CE1 4.35Å; R600-Y602 PolarHBondContact O-N 2.93Å; Y602-M604 PolarHBondContact O-N 2.87Å; Y602-G616 WeakPolarHBondContact CD2-O 3.47Å; Y602-N715 HydrophobicContact CE2-CB 3.86Å; Y602-N715 WeakPolarHBondContact CE2-O 3.47Å; Y602-N715 WeakPolarHBondContact OH-CB 3.26Å
603	K	43.4	Very low	59.4	Low	207 Å²	207	79.8 Å²	79.8	90%	0.9	43%	0.425	S	S	*	.			trans	-82.8	101.3	163.1	-81.2	179.5	176.5	170.4	0	109.5
604	M	44.2	Very low	59.5	Low	94 Å²	94	77.3 Å²	77.3	46%	0.463	42%	0.416	S	S	.	.			trans	-102.3	147.5	168.7	-65.5	-56.7	-176.5	0	0	111.1	Y602	Y602-M604 PolarHBondContact O-N 2.87Å
605	N	36.8	Very low	59.5	Low	109 Å²	109	73.7 Å²	73.7	58%	0.583	39%	0.389	S	S	*	.			trans	-80.2	133.7	-178.5	-80.7	-33.2	0	0	0	112	E407 I607	E407-N605 PolarHBondContact OE1-ND2 2.85Å; E407-N605 PolarHBondContact OE2-ND2 3.38Å; N605-I607 PolarHBondContact O-N 2.9Å
606	R	34.2	Very low	59.5	Low	212 Å²	212	73.3 Å²	73.3	80%	0.8	39%	0.388	S	S	*	.			trans	-56.1	115.5	-173.5	-176.8	-166.1	71.2	172.3	1.5	113.6	V608	R606-V608 HydrophobicContact CG-CG2 4.18Å
607	I	33.4	Very low	59.6	Low	87 Å²	87	66.5 Å²	66.5	45%	0.446	35%	0.353	S	S	.	.			trans	-104.5	146.8	160.7	-41.3	-176.4	0	0	0	108.2	N605 Q611	N605-I607 PolarHBondContact O-N 2.9Å; I607-Q611 VanDerWaalsContact CG2-NE2 3.34Å
608	V	27.4	Very low	59.8	Low	104 Å²	104	66 Å²	66	63%	0.63	35%	0.348	S	S	*	.			trans	-114.8	136.3	-170.6	-177.8	0	0	0	0	111	R606	R606-V608 HydrophobicContact CG-CG2 4.18Å
609	G	40	Very low	60.2	Low	32 Å²	32	66 Å²	66	33%	0.33	35%	0.348	S	S	.	.	S	Bend	trans	102.5	142.9	-172.3	0	0	0	0	0	111.4	Q611	G609-Q611 WeakPolarHBondContact O-CG 3.1Å; G609-Q611 PolarHBondContact O-N 3Å; G609-Q611 PolarHBondContact O-NE2 2.91Å
610	G	53	Low	60.7	Low	50 Å²	50	63 Å²	63	52%	0.515	33%	0.33	S	S	.	.	S	Bend	trans	-58.8	123.6	-170.8	0	0	0	0	0	113.3	E757	G610-E757 WeakPolarHBondContact CA-O 3.41Å
611	Q	65.6	Low	61.6	Low	73 Å²	73	60.8 Å²	60.8	34%	0.341	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	166	-170.2	-82.4	167.2	101.6	0	0	112	I607 G609 A613 Q756 E757	I607-Q611 VanDerWaalsContact CG2-NE2 3.34Å; G609-Q611 WeakPolarHBondContact O-CG 3.1Å; G609-Q611 PolarHBondContact O-N 3Å; G609-Q611 PolarHBondContact O-NE2 2.91Å; Q611-A613 PolarHBondContact O-N 3.08Å; Q611-Q756 CarbonylContact O-C 3.59Å; Q611-Q756 WeakPolarHBondContact O-CA 3.09Å; Q611-E757 PolarHBondContact N-O 3.38Å; Q611-E757 VanDerWaalsContact N-O 3.14Å; Q611-E757 PolarHBondContact O-N 3.41Å
612	N	69.5	Low	63.4	Low	103 Å²	103	58.9 Å²	58.9	55%	0.551	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.1	121.1	169.7	-64.5	-32.7	0	0	0	109.7	M754 L755 Q756	N612-M754 HydrophobicContact CB-CB 4.42Å; N612-L755 CarbonylContact C-O 3.46Å; N612-L755 WeakPolarHBondContact CA-O 3.2Å; N612-Q756 PolarHBondContact OD1-NE2 2.85Å
613	A	70.3	Confident	65.2	Low	1 Å²	1	57.9 Å²	57.9	1%	0.008	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-76.8	143.5	173.9	0	0	0	0	0	111.3	Q611 Q671 L755 E757	Q611-A613 PolarHBondContact O-N 3.08Å; A613-Q671 PolarHBondContact O-NE2 3.18Å; A613-L755 HydrophobicContact CB-CB 4.38Å; A613-L755 HydrophobicContact CB-CD2 4.07Å; A613-L755 HydrophobicContact CB-CG 3.97Å; A613-L755 PolarHBondContact N-O 3.36Å; A613-E757 HydrophobicContact CB-CB 3.97Å; A613-E757 HydrophobicContact CB-CG 3.92Å
614	D	69.6	Low	67.6	Low	85 Å²	85	48.1 Å²	48.1	46%	0.455	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-69	160.3	178.3	-91.5	-38.7	0	0	0	113.8	G616 A617	D614-G616 PolarHBondContact O-N 2.97Å; D614-A617 HydrophobicContact CB-CB 4.1Å; D614-A617 VanDerWaalsContact O-CB 3.31Å; D614-A617 WeakPolarHBondContact O-CB 3.06Å; D614-A617 PolarHBondContact O-N 2.85Å; D614-A617 VanDerWaalsContact O-N 3.08Å
615	V	70.2	Confident	69.8	Low	29 Å²	29	44.1 Å²	44.1	18%	0.176	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	120.7	175.4	178.9	0	0	0	0	109.6	T293 A617 Q671 T716	T293-V615 HydrophobicContact CG2-CG2 4.02Å; V615-A617 PolarHBondContact O-N 3.05Å; V615-Q671 HydrophobicContact CG2-CB 4.25Å; V615-Q671 VanDerWaalsContact CG2-CD 3.49Å; V615-Q671 HydrophobicContact CG2-CG 4.3Å; V615-T716 HydrophobicContact CG1-CG2 3.94Å
616	G	71.9	Confident	72.1	Confident	10 Å²	10	39.7 Å²	39.7	10%	0.103	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	3.1	179.4	0	0	0	0	0	115.3	Y602 D614 W618 P619	Y602-G616 WeakPolarHBondContact CD2-O 3.47Å; D614-G616 PolarHBondContact O-N 2.97Å; G616-W618 PolarHBondContact O-N 2.88Å; G616-W618 VanDerWaalsContact O-N 3.1Å; G616-P619 WeakPolarHBondContact O-CD 3.42Å
617	A	80.3	Confident	74.3	Confident	8 Å²	8	32.4 Å²	32.4	7%	0.066	20%	0.195	C	C	.	.	S	Bend	trans	-56.6	-28.4	174.7	0	0	0	0	0	112	R600 D614 V615	R600-A617 WeakPolarHBondContact CD-O 3.07Å; R600-A617 PolarHBondContact NH1-O 3.1Å; D614-A617 HydrophobicContact CB-CB 4.1Å; D614-A617 VanDerWaalsContact O-CB 3.31Å; D614-A617 WeakPolarHBondContact O-CB 3.06Å; D614-A617 PolarHBondContact O-N 2.85Å; D614-A617 VanDerWaalsContact O-N 3.08Å; V615-A617 PolarHBondContact O-N 3.05Å
618	W	90.2	Very high	75.7	Confident	9 Å²	9	36.4 Å²	36.4	3%	0.034	21%	0.212	C	C	.	.	S	Bend	trans	-127.4	76.1	179.6	-60	91.5	0	0	0	110	R600 G616 W620 Q621 T738 L755 E757 W811	R600-W618 VanDerWaalsContact NH1-CZ2 3.28Å; R600-W618 VanDerWaalsContact NH2-CZ2 3.33Å; G616-W618 PolarHBondContact O-N 2.88Å; G616-W618 VanDerWaalsContact O-N 3.1Å; W618-W620 AromaticContact CE3-CE2 3.84Å; W618-W620 AromaticContact CE3-CZ2 3.61Å; W618-W620 HydrophobicContact CE3-CZ2 3.61Å; W618-W620 AromaticContact CE3-NE1 3.65Å; W618-W620 AromaticContact CZ3-CZ2 3.84Å; W618-W620 HydrophobicContact CZ3-CZ2 3.84Å; W618-W620 PolarHBondContact O-N 3.08Å; W618-W620 VanDerWaalsContact O-N 3.16Å; W618-Q621 HydrophobicContact CB-CB 4Å; W618-Q621 VanDerWaalsContact O-CB 3.27Å; W618-Q621 WeakPolarHBondContact O-CB 3.34Å; W618-Q621 PolarHBondContact O-N 3.48Å; W618-T738 HydrophobicContact CB-CG2 4.39Å; W618-T738 HydrophobicContact CD2-CG2 3.39Å; W618-T738 VanDerWaalsContact CE2-CG2 3.41Å; W618-T738 HydrophobicContact CE3-CG2 3.96Å; W618-T738 HydrophobicContact CG-CG2 3.57Å; W618-T738 HydrophobicContact CZ2-CG2 4.02Å; W618-T738 HydrophobicContact CZ3-CG2 4.48Å; W618-L755 HydrophobicContact CB-CD2 4.29Å; W618-E757 VanDerWaalsContact CE2-OE2 3.3Å; W618-E757 HydrophobicContact CZ2-CB 4.2Å; W618-E757 WeakPolarHBondContact CZ2-OE2 3.08Å; W618-E757 PolarHBondContact NE1-OE2 3.45Å; W618-W811 HydrophobicContact CH2-CE3 4.5Å; W618-W811 HydrophobicContact CH2-CH2 4.44Å; W618-W811 HydrophobicContact CH2-CZ3 4.05Å; W618-W811 HydrophobicContact CZ3-CE3 4.29Å; W618-W811 HydrophobicContact CZ3-CZ3 4.29Å
619	P	91.2	Very high	77.6	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-10.9	-167.5	31.3	-36.5	0	0	0	113.4	G616 T716 I717 Q718	G616-P619 WeakPolarHBondContact O-CD 3.42Å; P619-T716 WeakPolarHBondContact CA-O 3.39Å; P619-I717 CarbonylContact O-C 3.46Å; P619-I717 VanDerWaalsContact O-CA 3.25Å; P619-I717 WeakPolarHBondContact O-CA 3.45Å; P619-Q718 CarbonylContact C-O 3.51Å; P619-Q718 HydrophobicContact CB-CB 3.85Å; P619-Q718 HydrophobicContact CB-CG 3.99Å; P619-Q718 HydrophobicContact CG-CB 3.88Å; P619-Q718 HydrophobicContact CG-CG 4.19Å; P619-Q718 PolarHBondContact O-N 2.86Å
620	W	95.2	Very high	79.3	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-5.2	170.5	47.9	79.7	0	0	0	113.9	T599 R600 W618 S636 I637 Q718 I720 S803 W811	T599-W620 WeakPolarHBondContact O-CZ3 3.15Å; R600-W620 HydrophobicContact CG-CH2 3.7Å; R600-W620 HydrophobicContact CG-CZ3 4.07Å; W618-W620 AromaticContact CE3-CE2 3.84Å; W618-W620 AromaticContact CE3-CZ2 3.61Å; W618-W620 HydrophobicContact CE3-CZ2 3.61Å; W618-W620 AromaticContact CE3-NE1 3.65Å; W618-W620 AromaticContact CZ3-CZ2 3.84Å; W618-W620 HydrophobicContact CZ3-CZ2 3.84Å; W618-W620 PolarHBondContact O-N 3.08Å; W618-W620 VanDerWaalsContact O-N 3.16Å; W620-S636 CarbonylContact O-C 3.55Å; W620-S636 VanDerWaalsContact O-CA 3.26Å; W620-S636 WeakPolarHBondContact O-CA 3.31Å; W620-I637 HydrophobicContact CB-CB 4.41Å; W620-I637 PolarHBondContact O-N 2.86Å; W620-Q718 WeakPolarHBondContact CA-O 3.47Å; W620-Q718 WeakPolarHBondContact CB-O 3.22Å; W620-Q718 PolarHBondContact N-O 3.02Å; W620-I720 HydrophobicContact CB-CB 3.94Å; W620-I720 HydrophobicContact CB-CG2 4.4Å; W620-I720 HydrophobicContact CD2-CB 3.85Å; W620-I720 HydrophobicContact CD2-CD1 4.12Å; W620-I720 HydrophobicContact CD2-CG1 4.19Å; W620-I720 HydrophobicContact CE3-CB 4.18Å; W620-I720 HydrophobicContact CG-CB 3.73Å; W620-I720 HydrophobicContact CG-CD1 4.28Å; W620-I720 HydrophobicContact CG-CG1 4.43Å; W620-I720 HydrophobicContact CG-CG2 4.45Å; W620-I720 HydrophobicContact CZ2-CD1 4.27Å; W620-S803 PolarHBondContact NE1-OG 2.97Å; W620-W811 HydrophobicContact CH2-CB 3.4Å; W620-W811 VanDerWaalsContact CH2-CB 3.4Å; W620-W811 AromaticContact CH2-CD1 3.92Å; W620-W811 HydrophobicContact CH2-CD2 4.24Å; W620-W811 AromaticContact CH2-CG 3.53Å; W620-W811 HydrophobicContact CH2-CG 3.53Å; W620-W811 HydrophobicContact CZ2-CB 3.82Å; W620-W811 HydrophobicContact CZ2-CD2 4.37Å; W620-W811 HydrophobicContact CZ2-CG 4.02Å; W620-W811 HydrophobicContact CZ3-CB 4.14Å
621	Q	94.9	Very high	80.9	Confident	3 Å²	3	38.9 Å²	38.9	1%	0.014	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	131.4	-178	-172.9	74.8	11.6	0	0	111.5	W618 T738 W740 L755	W618-Q621 HydrophobicContact CB-CB 4Å; W618-Q621 VanDerWaalsContact O-CB 3.27Å; W618-Q621 WeakPolarHBondContact O-CB 3.34Å; W618-Q621 PolarHBondContact O-N 3.48Å; Q621-T738 PolarHBondContact NE2-O 3.23Å; Q621-T738 PolarHBondContact OE1-OG1 2.96Å; Q621-W740 HydrophobicContact CG-CH2 3.76Å; Q621-W740 HydrophobicContact CG-CZ3 3.75Å; Q621-L755 HydrophobicContact CB-CD2 4.46Å; Q621-L755 HydrophobicContact CG-CD1 3.84Å; Q621-L755 HydrophobicContact CG-CD2 4.19Å
622	V	95.1	Very high	81.9	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	136.9	175.5	-176.1	0	0	0	0	110.8	L624 G634 A635 I637 L643	V622-L624 HydrophobicContact CG1-CD2 4.2Å; V622-G634 WeakPolarHBondContact O-CA 3.48Å; V622-A635 HydrophobicContact CB-CB 4.16Å; V622-A635 PolarHBondContact N-O 2.82Å; V622-A635 PolarHBondContact O-N 3.08Å; V622-A635 VanDerWaalsContact O-N 3.09Å; V622-I637 HydrophobicContact CG2-CD1 4.18Å; V622-I637 HydrophobicContact CG2-CG1 3.51Å; V622-L643 HydrophobicContact CB-CD1 4.38Å; V622-L643 HydrophobicContact CG1-CD1 3.92Å; V622-L643 HydrophobicContact CG2-CD1 4.2Å; V622-L643 HydrophobicContact CG2-CD2 4.01Å
623	S	93.5	Very high	83	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	122.5	168.4	-175.1	0	0	0	0	109.9	H625 H631 Y667 Q673	S623-H625 PolarHBondContact OG-CD2 3.44Å; S623-H625 PolarHBondContact OG-NE2 3.48Å; S623-H631 PolarHBondContact OG-ND1 3.14Å; S623-Y667 PolarHBondContact N-O 3.03Å; S623-Y667 PolarHBondContact O-N 3.18Å; S623-Q673 PolarHBondContact OG-NE2 3.24Å; S623-Q673 VanDerWaalsContact OG-NE2 3.11Å
624	L	92.6	Very high	84.1	Confident	1 Å²	1	35 Å²	35	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	126.4	172	-53.5	179.3	0	0	0	110.2	V622 Q632 C633 A635 F650 W664 T666 L705	V622-L624 HydrophobicContact CG1-CD2 4.2Å; L624-Q632 PolarHBondContact O-N 3.19Å; L624-C633 WeakPolarHBondContact CA-O 3.44Å; L624-C633 HydrophobicContact CB-CB 4.47Å; L624-C633 WeakPolarHBondContact CB-O 3.49Å; L624-C633 HydrophobicContact CD1-CB 4.09Å; L624-C633 PolarHBondContact N-O 3.17Å; L624-A635 HydrophobicContact CD1-CB 4.04Å; L624-A635 HydrophobicContact CD2-CB 4.04Å; L624-A635 HydrophobicContact CG-CB 4.06Å; L624-F650 HydrophobicContact CD1-CE1 4.09Å; L624-F650 HydrophobicContact CD1-CZ 3.63Å; L624-W664 HydrophobicContact CB-CE3 3.95Å; L624-W664 HydrophobicContact CB-CZ3 3.82Å; L624-T666 HydrophobicContact CD2-CG2 3.66Å; L624-L705 HydrophobicContact CD1-CD1 3.98Å; L624-L705 HydrophobicContact CD2-CD1 3.77Å
625	H	90.6	Very high	85.3	Confident	10 Å²	10	30.9 Å²	30.9	5%	0.046	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133.3	179.4	-68.3	-120.9	0	0	0	109.9	S623 F629 H631 W664 L665 Y667 Q673	S623-H625 PolarHBondContact OG-CD2 3.44Å; S623-H625 PolarHBondContact OG-NE2 3.48Å; H625-F629 PolarHBondContact ND1-O 3.24Å; H625-H631 PolarHBondContact CE1-N 3.21Å; H625-W664 WeakPolarHBondContact O-CA 3.36Å; H625-L665 PolarHBondContact N-O 2.64Å; H625-L665 PolarHBondContact O-N 2.85Å; H625-Y667 HydrophobicContact CB-CD2 4.49Å; H625-Y667 HydrophobicContact CB-CE2 4.11Å; H625-Y667 AromaticContact CD2-CD2 3.34Å; H625-Y667 WeakPolarHBondContact CD2-CD2 3.46Å; H625-Y667 AromaticContact CD2-CE2 3.66Å; H625-Y667 AromaticContact CG-CD2 3.93Å; H625-Y667 AromaticContact CG-CE2 3.75Å; H625-Y667 AromaticContact NE2-CD2 3.7Å; H625-Q673 PolarHBondContact CE1-OE1 3.2Å; H625-Q673 PolarHBondContact NE2-OE1 3.18Å
626	F	86.4	Confident	86.6	Confident	17 Å²	17	29.5 Å²	29.5	8%	0.075	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	132.4	177	-169.9	-118.3	0	0	0	110.3	Q628 F629 P656 H658 N663 W664	F626-Q628 PolarHBondContact O-N 3.44Å; F626-F629 WeakPolarHBondContact O-CB 3.32Å; F626-F629 PolarHBondContact O-N 3.16Å; F626-P656 HydrophobicContact CZ-CB 4.39Å; F626-H658 AromaticContact CD1-CE1 3.75Å; F626-H658 AromaticContact CE1-CD2 3.91Å; F626-H658 AromaticContact CE1-CE1 3.68Å; F626-H658 AromaticContact CE1-NE2 3.56Å; F626-H658 HydrophobicContact CE2-CB 4.39Å; F626-H658 HydrophobicContact CZ-CB 4.45Å; F626-H658 AromaticContact CZ-CD2 3.77Å; F626-H658 AromaticContact CZ-CG 3.82Å; F626-H658 AromaticContact CZ-ND1 3.99Å; F626-H658 AromaticContact CZ-NE2 3.92Å; F626-N663 HydrophobicContact CD2-CB 3.82Å; F626-N663 HydrophobicContact CE2-CB 3.34Å; F626-N663 HydrophobicContact CZ-CB 4.1Å; F626-W664 HydrophobicContact CB-CE3 4.33Å; F626-W664 HydrophobicContact CB-CH2 4.39Å; F626-W664 HydrophobicContact CB-CZ3 4.2Å; F626-W664 AromaticContact CD2-CD2 3.92Å; F626-W664 HydrophobicContact CD2-CD2 3.92Å; F626-W664 AromaticContact CD2-CE2 3.6Å; F626-W664 HydrophobicContact CD2-CE3 4.42Å; F626-W664 HydrophobicContact CD2-CG 4.34Å; F626-W664 HydrophobicContact CD2-CH2 4.43Å; F626-W664 AromaticContact CD2-CZ2 3.9Å; F626-W664 HydrophobicContact CD2-CZ2 3.9Å; F626-W664 AromaticContact CD2-NE1 3.8Å; F626-W664 HydrophobicContact CE2-CZ2 4.43Å; F626-W664 AromaticContact CE2-NE1 3.9Å
627	L	79.8	Confident	87.8	Confident	58 Å²	58	29 Å²	29	30%	0.304	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	34.7	174	-65.4	174.5	0	0	0	115.8	F629 P656 N663	L627-F629 HydrophobicContact CB-CD2 3.9Å; L627-F629 HydrophobicContact CB-CE2 4.03Å; L627-F629 WeakPolarHBondContact O-CD2 3.43Å; L627-F629 PolarHBondContact O-N 3.08Å; L627-P656 HydrophobicContact CD1-CB 3.79Å; L627-P656 HydrophobicContact CD1-CG 3.57Å; L627-N663 HydrophobicContact CD2-CB 3.77Å; L627-N663 WeakPolarHBondContact CD2-OD1 3.48Å; L627-N663 HydrophobicContact CG-CB 4.16Å; L627-N663 PolarHBondContact N-O 2.9Å
628	Q	62.5	Low	88.5	Confident	171 Å²	171	29.1 Å²	29.1	80%	0.799	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	66	14.4	-177.7	-49.5	-179.3	-19.5	0	0	115.3	F626 L665	F626-Q628 PolarHBondContact O-N 3.44Å; Q628-L665 HydrophobicContact CG-CD1 4.16Å
629	F	66.6	Low	88.6	Confident	151 Å²	151	29.7 Å²	29.7	66%	0.662	15%	0.15	S	C	*	.	S	Bend	trans	-80.7	-170.3	168	-65.3	-77.9	0	0	0	111.6	H625 F626 L627	H625-F629 PolarHBondContact ND1-O 3.24Å; F626-F629 WeakPolarHBondContact O-CB 3.32Å; F626-F629 PolarHBondContact O-N 3.16Å; L627-F629 HydrophobicContact CB-CD2 3.9Å; L627-F629 HydrophobicContact CB-CE2 4.03Å; L627-F629 WeakPolarHBondContact O-CD2 3.43Å; L627-F629 PolarHBondContact O-N 3.08Å
630	S	76	Confident	88.6	Confident	80 Å²	80	33.9 Å²	33.9	56%	0.559	17%	0.169	S	C	*	.	S	Bend	trans	-63.8	174.5	175.4	54.3	0	0	0	0	113
631	H	86.6	Confident	88.6	Confident	8 Å²	8	37.6 Å²	37.6	4%	0.037	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-41.9	136.7	165.6	-175.8	73	0	0	0	113	S623 H625 C633 W740 G796	S623-H631 PolarHBondContact OG-ND1 3.14Å; H625-H631 PolarHBondContact CE1-N 3.21Å; H631-C633 PolarHBondContact CE1-O 3.5Å; H631-C633 PolarHBondContact ND1-O 3.26Å; H631-W740 AromaticContact CE1-CE3 3.39Å; H631-W740 AromaticContact ND1-CE3 3.73Å; H631-W740 AromaticContact NE2-CE3 3.85Å; H631-G796 PolarHBondContact NE2-O 3.14Å
632	Q	87.6	Confident	88.7	Confident	90 Å²	90	38.6 Å²	38.6	42%	0.421	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	-38.2	179	179.3	59.4	88.4	0	0	112.8	L624 W664	L624-Q632 PolarHBondContact O-N 3.19Å; Q632-W664 HydrophobicContact CB-CH2 4.49Å; Q632-W664 HydrophobicContact CB-CZ3 4.25Å; Q632-W664 HydrophobicContact CG-CH2 4.03Å; Q632-W664 HydrophobicContact CG-CZ3 4.29Å
633	C	91.6	Very high	88.8	Confident	4 Å²	4	38.6 Å²	38.6	3%	0.027	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	158.7	175.4	-78.5	0	0	0	0	110.5	L624 H631 C649 S798	L624-C633 WeakPolarHBondContact CA-O 3.44Å; L624-C633 HydrophobicContact CB-CB 4.47Å; L624-C633 WeakPolarHBondContact CB-O 3.49Å; L624-C633 HydrophobicContact CD1-CB 4.09Å; L624-C633 PolarHBondContact N-O 3.17Å; H631-C633 PolarHBondContact CE1-O 3.5Å; H631-C633 PolarHBondContact ND1-O 3.26Å; C633-C649 HydrophobicContact CB-CB 3.92Å; C633-C649 WeakPolarHBondContact CB-SG 3.21Å; C633-C649 WeakPolarHBondContact SG-CB 3.39Å; C633-C649 CovalentContact SG-SG 2.04Å; C633-C649 PolarHBondContact SG-SG 3.42Å; C633-S798 CarbonylContact C-O 3.49Å; C633-S798 WeakPolarHBondContact CA-O 3.41Å; C633-S798 VanDerWaalsContact CB-O 3.28Å; C633-S798 WeakPolarHBondContact CB-O 3.14Å
634	G	92.9	Very high	89	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	165.5	165.2	0	0	0	0	0	113.3	V622 S645 S798 G799	V622-G634 WeakPolarHBondContact O-CA 3.48Å; G634-S645 PolarHBondContact O-OG 2.52Å; G634-S798 PolarHBondContact N-O 3.39Å; G634-G799 CarbonylContact C-O 3.57Å; G634-G799 CarbonylContact O-C 3.47Å; G634-G799 VanDerWaalsContact O-C 3.22Å; G634-G799 WeakPolarHBondContact O-CA 3.34Å
635	A	95.8	Very high	89.2	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	164.6	163.1	0	0	0	0	0	109.7	V622 L624 L643 L644 G799	V622-A635 HydrophobicContact CB-CB 4.16Å; V622-A635 PolarHBondContact N-O 2.82Å; V622-A635 PolarHBondContact O-N 3.08Å; V622-A635 VanDerWaalsContact O-N 3.09Å; L624-A635 HydrophobicContact CD1-CB 4.04Å; L624-A635 HydrophobicContact CD2-CB 4.04Å; L624-A635 HydrophobicContact CG-CB 4.06Å; A635-L643 HydrophobicContact CB-CB 4.29Å; A635-L643 HydrophobicContact CB-CD1 4.49Å; A635-L644 CarbonylContact C-O 3.52Å; A635-L644 VanDerWaalsContact CA-O 3.27Å; A635-L644 WeakPolarHBondContact CA-O 3.31Å; A635-L644 WeakPolarHBondContact CB-O 3.43Å; A635-G799 WeakPolarHBondContact CA-O 3.39Å
636	S	96.8	Very high	89.4	Confident	0 Å²	0	38 Å²	38	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	144.7	171.6	53.6	0	0	0	0	112.4	W620 L643 L644 Q813	W620-S636 CarbonylContact O-C 3.55Å; W620-S636 VanDerWaalsContact O-CA 3.26Å; W620-S636 WeakPolarHBondContact O-CA 3.31Å; S636-L643 CarbonylContact O-C 3.58Å; S636-L643 WeakPolarHBondContact O-CA 3.21Å; S636-L643 WeakPolarHBondContact O-CB 3.49Å; S636-L644 PolarHBondContact N-O 2.92Å; S636-L644 PolarHBondContact O-N 2.85Å; S636-L644 PolarHBondContact OG-O 3.08Å; S636-Q813 VanDerWaalsContact OG-CD 3.3Å; S636-Q813 PolarHBondContact OG-NE2 2.78Å; S636-Q813 PolarHBondContact OG-OE1 2.75Å
637	I	96.6	Very high	89.8	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	124.4	171.5	-53	173	0	0	0	109.4	W620 V622 S639 L643 L711 W713 I717 P719 I720	W620-I637 HydrophobicContact CB-CB 4.41Å; W620-I637 PolarHBondContact O-N 2.86Å; V622-I637 HydrophobicContact CG2-CD1 4.18Å; V622-I637 HydrophobicContact CG2-CG1 3.51Å; I637-S639 VanDerWaalsContact CG2-O 3.32Å; I637-S639 WeakPolarHBondContact CG2-O 3.38Å; I637-L643 HydrophobicContact CB-CD2 4.16Å; I637-L643 HydrophobicContact CG1-CD2 3.81Å; I637-L643 HydrophobicContact CG2-CD2 4.31Å; I637-L711 HydrophobicContact CD1-CD1 3.96Å; I637-L711 HydrophobicContact CG1-CD1 4.17Å; I637-L711 HydrophobicContact CG2-CD1 4.14Å; I637-W713 HydrophobicContact CG2-CH2 4.11Å; I637-W713 HydrophobicContact CG2-CZ3 3.94Å; I637-I717 HydrophobicContact CD1-CG2 3.71Å; I637-P719 HydrophobicContact CG2-CB 4.46Å; I637-P719 WeakPolarHBondContact O-CA 3.46Å; I637-I720 PolarHBondContact O-N 2.04Å
638	I	95.1	Very high	90.3	Very high	10 Å²	10	36.3 Å²	36.3	5%	0.051	18%	0.175	C	C	.	.			trans	-114.8	-12.6	173.9	62.9	164.6	0	0	0	112.9	W642 L644 L704 I720 L722 I842 T846	I638-W642 HydrophobicContact CD1-CB 4.03Å; I638-W642 HydrophobicContact CG1-CB 3.81Å; I638-W642 WeakPolarHBondContact CG1-O 3.44Å; I638-W642 PolarHBondContact N-O 2.98Å; I638-W642 VanDerWaalsContact N-O 3.08Å; I638-L644 HydrophobicContact CD1-CB 4.44Å; I638-L644 HydrophobicContact CG2-CB 3.88Å; I638-L644 HydrophobicContact CG2-CD2 4.45Å; I638-L704 HydrophobicContact CD1-CD2 3.74Å; I638-I720 HydrophobicContact CG2-CG2 4.45Å; I638-L722 HydrophobicContact CB-CD1 3.98Å; I638-L722 HydrophobicContact CB-CG 4.33Å; I638-L722 HydrophobicContact CD1-CD1 4.04Å; I638-L722 HydrophobicContact CG2-CD1 3.99Å; I638-L722 HydrophobicContact CG2-CD2 3.85Å; I638-L722 HydrophobicContact CG2-CG 3.97Å; I638-I842 HydrophobicContact CD1-CG2 3.95Å; I638-T846 HydrophobicContact CD1-CG2 4.49Å
639	S	92.9	Very high	91.6	Very high	20 Å²	20	28.3 Å²	28.3	14%	0.14	14%	0.138	C	C	.	.	S	Bend	trans	-165.5	178	166.2	63	0	0	0	0	110.8	I637 R641 W642 W713 I848	I637-S639 VanDerWaalsContact CG2-O 3.32Å; I637-S639 WeakPolarHBondContact CG2-O 3.38Å; S639-R641 PolarHBondContact O-N 2.86Å; S639-R641 PolarHBondContact OG-N 2.79Å; S639-W642 PolarHBondContact N-O 3.14Å; S639-W642 PolarHBondContact O-N 3.18Å; S639-W642 WeakPolarHBondContact OG-CB 3.2Å; S639-W642 PolarHBondContact OG-N 2.85Å; S639-W642 VanDerWaalsContact OG-N 3.08Å; S639-W713 VanDerWaalsContact C-CH2 3.47Å; S639-I848 WeakPolarHBondContact OG-CD1 3.31Å
640	E	92.1	Very high	92.7	Very high	89 Å²	89	21.3 Å²	21.3	42%	0.416	11%	0.107	S	C	.	.	S	Bend	trans	-54	-21.9	174.6	55.6	153.4	-131.2	0	0	114.6	V710 L711 W713	E640-V710 HydrophobicContact CB-CB 4.28Å; E640-V710 HydrophobicContact CG-CG1 4.4Å; E640-V710 CarbonylContact O-C 3.55Å; E640-V710 VanDerWaalsContact O-CA 3.28Å; E640-V710 WeakPolarHBondContact O-CA 3.46Å; E640-V710 WeakPolarHBondContact OE1-CG1 3.34Å; E640-L711 PolarHBondContact O-N 2.69Å; E640-W713 HydrophobicContact CB-CH2 4.43Å; E640-W713 HydrophobicContact CB-CZ2 3.88Å; E640-W713 VanDerWaalsContact N-CH2 3.32Å
641	R	94.9	Very high	93	Very high	78 Å²	78	19.4 Å²	19.4	29%	0.294	9%	0.092	S	C	.	.	S	Bend	trans	-122	-18.8	-175.4	-175.1	172.2	-65.5	-81.9	5.5	114.3	S639 E706 L707 E708 V710	S639-R641 PolarHBondContact O-N 2.86Å; S639-R641 PolarHBondContact OG-N 2.79Å; R641-E706 HydrophobicContact CG-CG 4.26Å; R641-L707 PolarHBondContact NH1-O 3.48Å; R641-L707 VanDerWaalsContact NH1-O 3.1Å; R641-L707 WeakPolarHBondContact O-CB 3.27Å; R641-L707 WeakPolarHBondContact O-CG 3.08Å; R641-L707 PolarHBondContact O-N 2.87Å; R641-E708 PolarHBondContact NH1-O 2.87Å; R641-V710 HydrophobicContact CB-CG1 4.49Å; R641-V710 VanDerWaalsContact NH2-CG1 3.32Å
642	W	96.7	Very high	92.2	Very high	23 Å²	23	21.1 Å²	21.1	9%	0.087	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134	-171.8	-64.2	100.6	0	0	0	112.5	I638 S639 I688 L704 L705 E706 E845 T846 I848	I638-W642 HydrophobicContact CD1-CB 4.03Å; I638-W642 HydrophobicContact CG1-CB 3.81Å; I638-W642 WeakPolarHBondContact CG1-O 3.44Å; I638-W642 PolarHBondContact N-O 2.98Å; I638-W642 VanDerWaalsContact N-O 3.08Å; S639-W642 PolarHBondContact N-O 3.14Å; S639-W642 PolarHBondContact O-N 3.18Å; S639-W642 WeakPolarHBondContact OG-CB 3.2Å; S639-W642 PolarHBondContact OG-N 2.85Å; S639-W642 VanDerWaalsContact OG-N 3.08Å; W642-I688 HydrophobicContact CH2-CD1 3.82Å; W642-I688 HydrophobicContact CZ3-CD1 3.73Å; W642-L704 HydrophobicContact CE3-CB 4.21Å; W642-L704 HydrophobicContact CZ3-CB 4.12Å; W642-L705 WeakPolarHBondContact CA-O 3.48Å; W642-E706 HydrophobicContact CE3-CB 3.95Å; W642-E706 HydrophobicContact CE3-CG 4.35Å; W642-E706 HydrophobicContact CH2-CB 4.08Å; W642-E706 HydrophobicContact CH2-CG 4.13Å; W642-E706 HydrophobicContact CZ2-CG 4.24Å; W642-E706 HydrophobicContact CZ3-CB 3.69Å; W642-E706 HydrophobicContact CZ3-CG 4.17Å; W642-E845 WeakPolarHBondContact CZ2-O 3.47Å; W642-T846 HydrophobicContact CB-CG2 4.38Å; W642-T846 HydrophobicContact CD2-CG2 3.58Å; W642-T846 HydrophobicContact CE3-CG2 3.86Å; W642-T846 HydrophobicContact CG-CG2 3.85Å; W642-T846 HydrophobicContact CH2-CG2 4.31Å; W642-T846 HydrophobicContact CZ2-CG2 4.11Å; W642-T846 HydrophobicContact CZ3-CG2 4.21Å; W642-I848 HydrophobicContact CB-CD1 4.44Å; W642-I848 HydrophobicContact CG-CD1 4.4Å
643	L	97.3	Very high	91	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	155.6	168.9	-43.7	177.2	0	0	0	110.6	V622 A635 S636 I637 T666 L704 L705 L707 L711	V622-L643 HydrophobicContact CB-CD1 4.38Å; V622-L643 HydrophobicContact CG1-CD1 3.92Å; V622-L643 HydrophobicContact CG2-CD1 4.2Å; V622-L643 HydrophobicContact CG2-CD2 4.01Å; A635-L643 HydrophobicContact CB-CB 4.29Å; A635-L643 HydrophobicContact CB-CD1 4.49Å; S636-L643 CarbonylContact O-C 3.58Å; S636-L643 WeakPolarHBondContact O-CA 3.21Å; S636-L643 WeakPolarHBondContact O-CB 3.49Å; I637-L643 HydrophobicContact CB-CD2 4.16Å; I637-L643 HydrophobicContact CG1-CD2 3.81Å; I637-L643 HydrophobicContact CG2-CD2 4.31Å; L643-T666 HydrophobicContact CD1-CG2 3.94Å; L643-L704 WeakPolarHBondContact O-CA 3.31Å; L643-L705 HydrophobicContact CB-CB 4.12Å; L643-L705 HydrophobicContact CB-CD1 4.32Å; L643-L705 HydrophobicContact CD1-CD1 4.28Å; L643-L705 PolarHBondContact N-O 3.22Å; L643-L705 PolarHBondContact O-N 2.75Å; L643-L707 HydrophobicContact CD1-CD2 4.09Å; L643-L707 HydrophobicContact CD2-CD1 4.32Å; L643-L707 HydrophobicContact CG-CD1 4.31Å; L643-L707 HydrophobicContact CG-CD2 4.38Å; L643-L707 HydrophobicContact CG-CG 4.42Å; L643-L711 HydrophobicContact CD2-CD1 4.24Å
644	L	97.4	Very high	89.7	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	137.4	176	-169.6	67.8	0	0	0	110.1	A635 S636 I638 I702 L704 L722 I816 V835 I842	A635-L644 CarbonylContact C-O 3.52Å; A635-L644 VanDerWaalsContact CA-O 3.27Å; A635-L644 WeakPolarHBondContact CA-O 3.31Å; A635-L644 WeakPolarHBondContact CB-O 3.43Å; S636-L644 PolarHBondContact N-O 2.92Å; S636-L644 PolarHBondContact O-N 2.85Å; S636-L644 PolarHBondContact OG-O 3.08Å; I638-L644 HydrophobicContact CD1-CB 4.44Å; I638-L644 HydrophobicContact CG2-CB 3.88Å; I638-L644 HydrophobicContact CG2-CD2 4.45Å; L644-I702 HydrophobicContact CD1-CD1 3.98Å; L644-I702 HydrophobicContact CD1-CG1 3.82Å; L644-L704 HydrophobicContact CD1-CD2 3.66Å; L644-L704 HydrophobicContact CD1-CG 4.28Å; L644-L722 HydrophobicContact CD2-CD2 4Å; L644-I816 HydrophobicContact CD1-CD1 4.4Å; L644-I816 HydrophobicContact CD2-CD1 3.96Å; L644-I816 HydrophobicContact CD2-CG1 4.44Å; L644-I816 HydrophobicContact CG-CD1 3.84Å; L644-V835 HydrophobicContact CD2-CG2 4.45Å; L644-I842 HydrophobicContact CD1-CD1 4.04Å; L644-I842 HydrophobicContact CD1-CG1 4.32Å; L644-I842 HydrophobicContact CD2-CD1 4.01Å
645	S	96.6	Very high	88.1	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	-175.6	-178.2	-170.2	0	0	0	0	110.7	G634 A703	G634-S645 PolarHBondContact O-OG 2.52Å; S645-A703 PolarHBondContact N-O 2.64Å; S645-A703 PolarHBondContact O-N 3.41Å
646	A	94.9	Very high	86.7	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.206	C	C	.	.			trans	-85.7	147.4	177.3	0	0	0	0	0	111.5	F650 I816	A646-F650 WeakPolarHBondContact O-CD2 3.29Å; A646-F650 WeakPolarHBondContact O-CE2 3.22Å; A646-I816 HydrophobicContact CB-CG2 4.12Å
647	A	94.3	Very high	85.8	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-71	-34.5	177.7	0	0	0	0	0	112.6	C649 F650 V651 P689 Y693 D701 A703	A647-C649 PolarHBondContact O-N 3.41Å; A647-C649 VanDerWaalsContact O-N 3.1Å; A647-F650 PolarHBondContact O-N 3.44Å; A647-V651 PolarHBondContact O-N 3.38Å; A647-P689 HydrophobicContact CB-CB 4.09Å; A647-Y693 HydrophobicContact CB-CD1 3.94Å; A647-Y693 HydrophobicContact CB-CD2 3.68Å; A647-Y693 HydrophobicContact CB-CE1 4.3Å; A647-Y693 HydrophobicContact CB-CE2 4.06Å; A647-Y693 HydrophobicContact CB-CG 3.63Å; A647-D701 WeakPolarHBondContact CA-OD1 3.31Å; A647-D701 WeakPolarHBondContact CB-OD1 3.25Å; A647-D701 PolarHBondContact N-OD1 2.9Å; A647-A703 HydrophobicContact CB-CB 4.46Å
648	H	90.6	Very high	85	Confident	38 Å²	38	43.3 Å²	43.3	18%	0.176	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-61.8	-19.8	-178.3	78.6	-104.1	0	0	0	114.1	F650 N652 Y693 D701 S798 S818	H648-F650 VanDerWaalsContact C-N 3.28Å; H648-F650 PolarHBondContact O-N 2.84Å; H648-N652 PolarHBondContact O-ND2 3.2Å; H648-Y693 VanDerWaalsContact CB-OH 3.25Å; H648-Y693 WeakPolarHBondContact CB-OH 3.46Å; H648-D701 IonicContact CE1-OD2 3.69Å; H648-D701 IonicContact CG-OD1 2.89Å; H648-D701 IonicContact CG-OD2 3.82Å; H648-D701 PolarHBondContact N-OD1 2.9Å; H648-D701 IonicContact ND1-OD1 3.49Å; H648-D701 PolarHBondContact ND1-OD1 2.91Å; H648-D701 IonicContact ND1-OD2 2.79Å; H648-D701 PolarHBondContact ND1-OD2 3.29Å; H648-S798 WeakPolarHBondContact NE2-CB 3.38Å; H648-S798 PolarHBondContact NE2-OG 3.36Å; H648-S818 PolarHBondContact CE1-O 2.84Å
649	C	90.3	Very high	84.4	Confident	4 Å²	4	46 Å²	46	3%	0.027	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-66.9	-26.8	172.6	-68.7	0	0	0	0	113.1	C633 A647 W664	C633-C649 HydrophobicContact CB-CB 3.92Å; C633-C649 WeakPolarHBondContact CB-SG 3.21Å; C633-C649 WeakPolarHBondContact SG-CB 3.39Å; C633-C649 CovalentContact SG-SG 2.04Å; C633-C649 PolarHBondContact SG-SG 3.42Å; A647-C649 PolarHBondContact O-N 3.41Å; A647-C649 VanDerWaalsContact O-N 3.1Å; C649-W664 VanDerWaalsContact O-CZ2 3.3Å; C649-W664 WeakPolarHBondContact O-CZ2 3.21Å
650	F	89.8	Confident	84.1	Confident	3 Å²	3	47.3 Å²	47.3	1%	0.013	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-25.9	-171.9	-44.5	-72.2	0	0	0	113.7	L624 A646 A647 H648 H658 S659 W664 I687 A703 L705	L624-F650 HydrophobicContact CD1-CE1 4.09Å; L624-F650 HydrophobicContact CD1-CZ 3.63Å; A646-F650 WeakPolarHBondContact O-CD2 3.29Å; A646-F650 WeakPolarHBondContact O-CE2 3.22Å; A647-F650 PolarHBondContact O-N 3.44Å; H648-F650 VanDerWaalsContact C-N 3.28Å; H648-F650 PolarHBondContact O-N 2.84Å; F650-H658 CarbonylContact O-C 3.58Å; F650-S659 PolarHBondContact O-N 3.37Å; F650-W664 HydrophobicContact CD1-CD2 4.29Å; F650-W664 AromaticContact CD1-CE2 3.59Å; F650-W664 HydrophobicContact CD1-CH2 4.18Å; F650-W664 AromaticContact CD1-CZ2 3.53Å; F650-W664 HydrophobicContact CD1-CZ2 3.53Å; F650-W664 AromaticContact CD1-NE1 3.79Å; F650-W664 HydrophobicContact CE1-CD2 4.03Å; F650-W664 AromaticContact CE1-CE2 3.76Å; F650-W664 HydrophobicContact CE1-CE3 4.27Å; F650-W664 AromaticContact CE1-CH2 3.98Å; F650-W664 HydrophobicContact CE1-CH2 3.98Å; F650-W664 AromaticContact CE1-CZ2 3.74Å; F650-W664 HydrophobicContact CE1-CZ2 3.74Å; F650-W664 HydrophobicContact CE1-CZ3 4.24Å; F650-I687 HydrophobicContact CB-CD1 4.45Å; F650-I687 HydrophobicContact CB-CG2 3.88Å; F650-I687 HydrophobicContact CD1-CD1 3.84Å; F650-I687 HydrophobicContact CD1-CG1 4.47Å; F650-I687 HydrophobicContact CD1-CG2 4.18Å; F650-I687 HydrophobicContact CD2-CG2 3.96Å; F650-I687 HydrophobicContact CG-CD1 4.32Å; F650-I687 HydrophobicContact CG-CG2 3.71Å; F650-A703 HydrophobicContact CD2-CB 3.78Å; F650-A703 HydrophobicContact CE2-CB 3.89Å; F650-L705 HydrophobicContact CE1-CD2 3.99Å; F650-L705 HydrophobicContact CE2-CD2 4.08Å; F650-L705 HydrophobicContact CZ-CD1 4.01Å; F650-L705 HydrophobicContact CZ-CD2 3.72Å; F650-L705 HydrophobicContact CZ-CG 4.31Å
651	V	82.4	Confident	84	Confident	41 Å²	41	44.3 Å²	44.3	25%	0.248	24%	0.244	C	C	.	.			trans	-104	84.9	-179.1	-173.1	0	0	0	0	108.9	A647 P689 Y693 E695	A647-V651 PolarHBondContact O-N 3.38Å; V651-P689 HydrophobicContact CG2-CB 3.58Å; V651-P689 HydrophobicContact CG2-CG 3.73Å; V651-Y693 HydrophobicContact CB-CD1 3.87Å; V651-Y693 HydrophobicContact CB-CE1 3.77Å; V651-Y693 HydrophobicContact CG1-CD1 3.86Å; V651-Y693 HydrophobicContact CG1-CE1 3.9Å; V651-Y693 HydrophobicContact CG2-CD1 4.21Å; V651-E695 HydrophobicContact CG1-CG 4.48Å
652	N	70.6	Confident	83.6	Confident	44 Å²	44	48.4 Å²	48.4	24%	0.235	26%	0.264	C	S	.	.			trans	-151.6	142.8	175.6	49.8	46	0	0	0	110.7	H648 L654 H658	H648-N652 PolarHBondContact O-ND2 3.2Å; N652-L654 PolarHBondContact O-N 3.28Å; N652-H658 VanDerWaalsContact OD1-CB 3.27Å; N652-H658 WeakPolarHBondContact OD1-CB 3.3Å; N652-H658 PolarHBondContact OD1-CD2 3.07Å; N652-H658 VanDerWaalsContact OD1-CD2 3.25Å
653	N	62.5	Low	83.3	Confident	143 Å²	143	49.1 Å²	49.1	77%	0.765	27%	0.27	S	S	*	.			trans	-81.5	38.8	-171.4	-71.9	-84	0	0	0	113.4	E695	N653-E695 PolarHBondContact ND2-OE1 3.01Å; N653-E695 PolarHBondContact ND2-OE2 3.05Å
654	L	63.9	Low	83	Confident	106 Å²	106	49.1 Å²	49.1	56%	0.555	27%	0.27	S	S	*	.			trans	-95.1	158.4	-178	-64.7	176.5	0	0	0	111.9	N652 P656	N652-L654 PolarHBondContact O-N 3.28Å; L654-P656 CarbonylContact O-C 3.52Å
655	T	58.9	Low	82.7	Confident	139 Å²	139	50.3 Å²	50.3	85%	0.853	28%	0.276	S	S	*	.	S	Bend	trans	-118.6	128.8	172.1	57.8	0	0	0	0	110.2
656	P	65.4	Low	82.6	Confident	71 Å²	71	50.3 Å²	50.3	46%	0.461	28%	0.276	S	S	.	.	S	Bend	cis	-69.7	160	3	-21.5	37.1	0	0	0	114.5	F626 L627 L654 H658	F626-P656 HydrophobicContact CZ-CB 4.39Å; L627-P656 HydrophobicContact CD1-CB 3.79Å; L627-P656 HydrophobicContact CD1-CG 3.57Å; L654-P656 CarbonylContact O-C 3.52Å; P656-H658 PolarHBondContact O-CD2 3.33Å; P656-H658 VanDerWaalsContact O-CD2 3.27Å; P656-H658 PolarHBondContact O-N 3.21Å
657	D	78.4	Confident	82.5	Confident	84 Å²	84	51.3 Å²	51.3	45%	0.449	28%	0.28	S	S	.	.			trans	-65.6	120.5	-174.4	-172.1	-13.5	0	0	0	112.1	S659 N663	D657-S659 VanDerWaalsContact C-N 3.31Å; D657-S659 VanDerWaalsContact CG-OG 3.32Å; D657-S659 WeakPolarHBondContact OD1-CA 3.5Å; D657-S659 VanDerWaalsContact OD1-CB 3.3Å; D657-S659 WeakPolarHBondContact OD1-CB 3.44Å; D657-S659 PolarHBondContact OD1-N 2.91Å; D657-S659 PolarHBondContact OD1-OG 2.81Å; D657-S659 PolarHBondContact OD2-OG 3.07Å; D657-N663 PolarHBondContact O-ND2 2.95Å
658	H	80.6	Confident	82.4	Confident	17 Å²	17	51.3 Å²	51.3	8%	0.079	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-11.2	177.7	-75.3	-109.2	0	0	0	113.3	F626 F650 N652 P656 W664	F626-H658 AromaticContact CD1-CE1 3.75Å; F626-H658 AromaticContact CE1-CD2 3.91Å; F626-H658 AromaticContact CE1-CE1 3.68Å; F626-H658 AromaticContact CE1-NE2 3.56Å; F626-H658 HydrophobicContact CE2-CB 4.39Å; F626-H658 HydrophobicContact CZ-CB 4.45Å; F626-H658 AromaticContact CZ-CD2 3.77Å; F626-H658 AromaticContact CZ-CG 3.82Å; F626-H658 AromaticContact CZ-ND1 3.99Å; F626-H658 AromaticContact CZ-NE2 3.92Å; F650-H658 CarbonylContact O-C 3.58Å; N652-H658 VanDerWaalsContact OD1-CB 3.27Å; N652-H658 WeakPolarHBondContact OD1-CB 3.3Å; N652-H658 PolarHBondContact OD1-CD2 3.07Å; N652-H658 VanDerWaalsContact OD1-CD2 3.25Å; P656-H658 PolarHBondContact O-CD2 3.33Å; P656-H658 VanDerWaalsContact O-CD2 3.27Å; P656-H658 PolarHBondContact O-N 3.21Å; H658-W664 HydrophobicContact CB-CZ2 4.31Å; H658-W664 AromaticContact ND1-CZ2 3.65Å; H658-W664 PolarHBondContact O-NE1 3.36Å
659	S	82.1	Confident	82.2	Confident	67 Å²	67	50.2 Å²	50.2	47%	0.469	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-14.4	178.4	76.1	0	0	0	0	114.1	F650 D657 P661	F650-S659 PolarHBondContact O-N 3.37Å; D657-S659 VanDerWaalsContact C-N 3.31Å; D657-S659 VanDerWaalsContact CG-OG 3.32Å; D657-S659 WeakPolarHBondContact OD1-CA 3.5Å; D657-S659 VanDerWaalsContact OD1-CB 3.3Å; D657-S659 WeakPolarHBondContact OD1-CB 3.44Å; D657-S659 PolarHBondContact OD1-N 2.91Å; D657-S659 PolarHBondContact OD1-OG 2.81Å; D657-S659 PolarHBondContact OD2-OG 3.07Å; S659-P661 VanDerWaalsContact O-CD 3.27Å; S659-P661 WeakPolarHBondContact O-CD 3.5Å
660	D	86.6	Confident	82	Confident	46 Å²	46	50.5 Å²	50.5	25%	0.246	28%	0.28	C	S	.	.			trans	-76.3	113.5	173.9	-170.5	-15.6	0	0	0	110.4	K662 N663	D660-K662 PolarHBondContact O-N 3.13Å; D660-K662 WeakPolarHBondContact OD1-CB 3.45Å; D660-K662 VanDerWaalsContact OD1-CG 3.28Å; D660-K662 WeakPolarHBondContact OD1-CG 3.48Å; D660-K662 PolarHBondContact OD1-N 2.98Å; D660-K662 IonicContact OD1-NZ 2.79Å; D660-K662 PolarHBondContact OD1-NZ 3.29Å; D660-K662 IonicContact OD2-NZ 3.2Å; D660-K662 PolarHBondContact OD2-NZ 2.99Å; D660-N663 PolarHBondContact O-N 3.49Å; D660-N663 VanDerWaalsContact O-N 3.1Å
661	P	88.9	Confident	81.6	Confident	27 Å²	27	51.7 Å²	51.7	18%	0.175	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-59.6	-23.2	-179.3	25.1	-35.7	0	0	0	113.4	S659 N663 W664 V684 I687	S659-P661 VanDerWaalsContact O-CD 3.27Å; S659-P661 WeakPolarHBondContact O-CD 3.5Å; P661-N663 PolarHBondContact O-N 3.2Å; P661-W664 PolarHBondContact O-N 2.73Å; P661-W664 VanDerWaalsContact O-N 3.14Å; P661-V684 HydrophobicContact CB-CB 4Å; P661-V684 HydrophobicContact CB-CG1 3.8Å; P661-I687 HydrophobicContact CB-CD1 4.32Å; P661-I687 HydrophobicContact CB-CG1 4.19Å
662	K	88.1	Confident	81.5	Confident	164 Å²	164	51.2 Å²	51.2	71%	0.713	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-64.6	-22.5	179	-61.7	-177.6	-138.6	80.9	0	113.5	D660 W664	D660-K662 PolarHBondContact O-N 3.13Å; D660-K662 WeakPolarHBondContact OD1-CB 3.45Å; D660-K662 VanDerWaalsContact OD1-CG 3.28Å; D660-K662 WeakPolarHBondContact OD1-CG 3.48Å; D660-K662 PolarHBondContact OD1-N 2.98Å; D660-K662 IonicContact OD1-NZ 2.79Å; D660-K662 PolarHBondContact OD1-NZ 3.29Å; D660-K662 IonicContact OD2-NZ 3.2Å; D660-K662 PolarHBondContact OD2-NZ 2.99Å; K662-W664 VanDerWaalsContact C-N 3.28Å
663	N	88.9	Confident	81.9	Confident	37 Å²	37	50.4 Å²	50.4	20%	0.198	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-81.7	-8.7	-180	-64.5	-20.5	0	0	0	112.4	F626 L627 D657 D660 P661	F626-N663 HydrophobicContact CD2-CB 3.82Å; F626-N663 HydrophobicContact CE2-CB 3.34Å; F626-N663 HydrophobicContact CZ-CB 4.1Å; L627-N663 HydrophobicContact CD2-CB 3.77Å; L627-N663 WeakPolarHBondContact CD2-OD1 3.48Å; L627-N663 HydrophobicContact CG-CB 4.16Å; L627-N663 PolarHBondContact N-O 2.9Å; D657-N663 PolarHBondContact O-ND2 2.95Å; D660-N663 PolarHBondContact O-N 3.49Å; D660-N663 VanDerWaalsContact O-N 3.1Å; P661-N663 PolarHBondContact O-N 3.2Å
664	W	91.4	Very high	82.6	Confident	1 Å²	1	52.8 Å²	52.8	0%	0.004	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	133.9	-174.5	-68.1	94.1	0	0	0	113.5	L624 H625 F626 Q632 C649 F650 H658 P661 K662 V684	L624-W664 HydrophobicContact CB-CE3 3.95Å; L624-W664 HydrophobicContact CB-CZ3 3.82Å; H625-W664 WeakPolarHBondContact O-CA 3.36Å; F626-W664 HydrophobicContact CB-CE3 4.33Å; F626-W664 HydrophobicContact CB-CH2 4.39Å; F626-W664 HydrophobicContact CB-CZ3 4.2Å; F626-W664 AromaticContact CD2-CD2 3.92Å; F626-W664 HydrophobicContact CD2-CD2 3.92Å; F626-W664 AromaticContact CD2-CE2 3.6Å; F626-W664 HydrophobicContact CD2-CE3 4.42Å; F626-W664 HydrophobicContact CD2-CG 4.34Å; F626-W664 HydrophobicContact CD2-CH2 4.43Å; F626-W664 AromaticContact CD2-CZ2 3.9Å; F626-W664 HydrophobicContact CD2-CZ2 3.9Å; F626-W664 AromaticContact CD2-NE1 3.8Å; F626-W664 HydrophobicContact CE2-CZ2 4.43Å; F626-W664 AromaticContact CE2-NE1 3.9Å; Q632-W664 HydrophobicContact CB-CH2 4.49Å; Q632-W664 HydrophobicContact CB-CZ3 4.25Å; Q632-W664 HydrophobicContact CG-CH2 4.03Å; Q632-W664 HydrophobicContact CG-CZ3 4.29Å; C649-W664 VanDerWaalsContact O-CZ2 3.3Å; C649-W664 WeakPolarHBondContact O-CZ2 3.21Å; F650-W664 HydrophobicContact CD1-CD2 4.29Å; F650-W664 AromaticContact CD1-CE2 3.59Å; F650-W664 HydrophobicContact CD1-CH2 4.18Å; F650-W664 AromaticContact CD1-CZ2 3.53Å; F650-W664 HydrophobicContact CD1-CZ2 3.53Å; F650-W664 AromaticContact CD1-NE1 3.79Å; F650-W664 HydrophobicContact CE1-CD2 4.03Å; F650-W664 AromaticContact CE1-CE2 3.76Å; F650-W664 HydrophobicContact CE1-CE3 4.27Å; F650-W664 AromaticContact CE1-CH2 3.98Å; F650-W664 HydrophobicContact CE1-CH2 3.98Å; F650-W664 AromaticContact CE1-CZ2 3.74Å; F650-W664 HydrophobicContact CE1-CZ2 3.74Å; F650-W664 HydrophobicContact CE1-CZ3 4.24Å; H658-W664 HydrophobicContact CB-CZ2 4.31Å; H658-W664 AromaticContact ND1-CZ2 3.65Å; H658-W664 PolarHBondContact O-NE1 3.36Å; P661-W664 PolarHBondContact O-N 2.73Å; P661-W664 VanDerWaalsContact O-N 3.14Å; K662-W664 VanDerWaalsContact C-N 3.28Å; W664-V684 HydrophobicContact CB-CB 4.34Å; W664-V684 HydrophobicContact CB-CG2 3.76Å
665	L	92.2	Very high	83	Confident	25 Å²	25	52.4 Å²	52.4	13%	0.131	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	135.1	170	-67.9	171	0	0	0	109.3	H625 Q628 Y667 R681 K683	H625-L665 PolarHBondContact N-O 2.64Å; H625-L665 PolarHBondContact O-N 2.85Å; Q628-L665 HydrophobicContact CG-CD1 4.16Å; L665-Y667 HydrophobicContact CB-CE2 3.92Å; L665-R681 HydrophobicContact CD2-CG 4.41Å; L665-K683 HydrophobicContact CD2-CG 3.83Å
666	T	93.6	Very high	83.5	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	135.4	179.9	70	0	0	0	0	109.2	L624 L643 R681 R682 V684 L707	L624-T666 HydrophobicContact CD2-CG2 3.66Å; L643-T666 HydrophobicContact CD1-CG2 3.94Å; T666-R681 CarbonylContact O-C 3.54Å; T666-R681 VanDerWaalsContact O-CA 3.29Å; T666-R681 WeakPolarHBondContact O-CA 3.32Å; T666-R682 PolarHBondContact N-O 2.79Å; T666-R682 PolarHBondContact O-N 2.69Å; T666-R682 WeakPolarHBondContact OG1-CB 3.39Å; T666-R682 PolarHBondContact OG1-O 2.88Å; T666-V684 HydrophobicContact CG2-CG2 3.68Å; T666-L707 HydrophobicContact CG2-CD2 3.97Å
667	Y	93.1	Very high	83.6	Confident	20 Å²	20	54.1 Å²	54.1	8%	0.078	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	110.3	177.7	-67.9	-99.4	0	0	0	110.1	S623 H625 L665 T676 A679 R681	S623-Y667 PolarHBondContact N-O 3.03Å; S623-Y667 PolarHBondContact O-N 3.18Å; H625-Y667 HydrophobicContact CB-CD2 4.49Å; H625-Y667 HydrophobicContact CB-CE2 4.11Å; H625-Y667 AromaticContact CD2-CD2 3.34Å; H625-Y667 WeakPolarHBondContact CD2-CD2 3.46Å; H625-Y667 AromaticContact CD2-CE2 3.66Å; H625-Y667 AromaticContact CG-CD2 3.93Å; H625-Y667 AromaticContact CG-CE2 3.75Å; H625-Y667 AromaticContact NE2-CD2 3.7Å; L665-Y667 HydrophobicContact CB-CE2 3.92Å; Y667-T676 HydrophobicContact CD1-CG2 4.18Å; Y667-T676 HydrophobicContact CE1-CG2 3.79Å; Y667-A679 HydrophobicContact CD1-CB 4.35Å; Y667-R681 HydrophobicContact CD1-CB 4.03Å; Y667-R681 HydrophobicContact CD1-CG 4.25Å; Y667-R681 HydrophobicContact CE1-CB 3.87Å; Y667-R681 HydrophobicContact CE1-CG 3.82Å; Y667-R681 HydrophobicContact CE2-CG 4.34Å; Y667-R681 WeakPolarHBondContact OH-CD 3.49Å
668	S	92.6	Very high	83.1	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	142.6	-179.2	-49.1	0	0	0	0	110.6	L670 A679 E680 L711	S668-L670 PolarHBondContact O-N 3.26Å; S668-A679 WeakPolarHBondContact O-CA 3.47Å; S668-A679 WeakPolarHBondContact O-CB 3.43Å; S668-E680 PolarHBondContact N-O 3.48Å; S668-E680 PolarHBondContact O-N 2.82Å; S668-L711 WeakPolarHBondContact OG-CD2 3.07Å
669	G	86.5	Confident	83.1	Confident	15 Å²	15	55.3 Å²	55.3	16%	0.155	28%	0.281	C	S	.	.	S	Bend	trans	70.5	12.3	-176	0	0	0	0	0	114.8	T716	G669-T716 WeakPolarHBondContact CA-O 3.45Å
670	L	85	Confident	83.4	Confident	10 Å²	10	53.8 Å²	53.8	5%	0.052	27%	0.267	C	S	.	.			trans	-73.1	135.7	173.4	-167.3	72	0	0	0	110	S668 N672 T676 A679 W740	S668-L670 PolarHBondContact O-N 3.26Å; L670-N672 VanDerWaalsContact CD1-O 3.3Å; L670-N672 WeakPolarHBondContact CD1-O 3.09Å; L670-T676 HydrophobicContact CD1-CG2 4.37Å; L670-A679 HydrophobicContact CB-CB 3.76Å; L670-A679 HydrophobicContact CD1-CB 3.58Å; L670-A679 HydrophobicContact CG-CB 4.28Å; L670-W740 HydrophobicContact CB-CZ2 4.34Å; L670-W740 HydrophobicContact CD2-CZ2 4.42Å; L670-W740 HydrophobicContact CG-CZ2 4.44Å; L670-W740 WeakPolarHBondContact O-CZ2 3.2Å
671	Q	82.1	Confident	83.7	Confident	29 Å²	29	58.8 Å²	58.8	14%	0.136	28%	0.282	C	S	.	.			trans	-114.3	-51	167.3	-172.2	-145.5	27.6	0	0	110.3	A613 V615 W740 M754 L755	A613-Q671 PolarHBondContact O-NE2 3.18Å; V615-Q671 HydrophobicContact CG2-CB 4.25Å; V615-Q671 VanDerWaalsContact CG2-CD 3.49Å; V615-Q671 HydrophobicContact CG2-CG 4.3Å; Q671-W740 PolarHBondContact O-NE1 2.75Å; Q671-M754 HydrophobicContact CG-CE 4.2Å; Q671-M754 CarbonylContact O-C 3.56Å; Q671-M754 VanDerWaalsContact OE1-CE 3.28Å; Q671-L755 HydrophobicContact CG-CB 4.37Å; Q671-L755 PolarHBondContact O-N 3.37Å
672	N	79.2	Confident	83.9	Confident	31 Å²	31	59.3 Å²	59.3	17%	0.166	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-101.4	121.5	177.9	-174.6	-17.7	0	0	0	110.9	L670 Y674 M675 S753 M754	L670-N672 VanDerWaalsContact CD1-O 3.3Å; L670-N672 WeakPolarHBondContact CD1-O 3.09Å; N672-Y674 PolarHBondContact O-N 2.9Å; N672-Y674 VanDerWaalsContact O-N 3.07Å; N672-Y674 PolarHBondContact OD1-N 3.3Å; N672-M675 HydrophobicContact CB-CB 4.19Å; N672-M675 HydrophobicContact CB-CG 3.99Å; N672-M675 HydrophobicContact CB-SD 4.02Å; N672-M675 PolarHBondContact O-N 3.22Å; N672-S753 CarbonylContact C-O 3.59Å; N672-S753 VanDerWaalsContact CA-O 3.26Å; N672-S753 WeakPolarHBondContact CA-O 3.37Å; N672-M754 HydrophobicContact CB-SD 3.73Å
673	Q	80.8	Confident	84.2	Confident	27 Å²	27	57 Å²	57	13%	0.126	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-23.6	178.3	-70.6	-69.9	-35.1	0	0	114.3	S623 H625 W740 S753	S623-Q673 PolarHBondContact OG-NE2 3.24Å; S623-Q673 VanDerWaalsContact OG-NE2 3.11Å; H625-Q673 PolarHBondContact CE1-OE1 3.2Å; H625-Q673 PolarHBondContact NE2-OE1 3.18Å; Q673-W740 HydrophobicContact CG-CG 4.14Å; Q673-W740 VanDerWaalsContact NE2-CD2 3.26Å; Q673-W740 VanDerWaalsContact NE2-CE2 3.31Å; Q673-S753 WeakPolarHBondContact CG-O 3.44Å; Q673-S753 PolarHBondContact N-O 2.69Å
674	Y	75.4	Confident	84.4	Confident	193 Å²	193	55.7 Å²	55.7	76%	0.757	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-12.7	175.5	-59.9	-63.2	0	0	0	114.1	N672 T676 S753	N672-Y674 PolarHBondContact O-N 2.9Å; N672-Y674 VanDerWaalsContact O-N 3.07Å; N672-Y674 PolarHBondContact OD1-N 3.3Å; Y674-T676 PolarHBondContact O-N 3.31Å; Y674-S753 VanDerWaalsContact CE2-CB 3.45Å
675	M	72.6	Confident	84.6	Confident	97 Å²	97	61.1 Å²	61.1	48%	0.478	29%	0.287	S	S	.	.			trans	-101.3	43.8	-175.5	-63.8	-177.9	66.7	0	0	112.5	N672 E677 V678	N672-M675 HydrophobicContact CB-CB 4.19Å; N672-M675 HydrophobicContact CB-CG 3.99Å; N672-M675 HydrophobicContact CB-SD 4.02Å; N672-M675 PolarHBondContact O-N 3.22Å; M675-E677 PolarHBondContact O-N 3.09Å; M675-V678 HydrophobicContact CE-CG2 4.22Å; M675-V678 PolarHBondContact O-N 3.37Å; M675-V678 VanDerWaalsContact O-N 3.14Å
676	T	69.1	Low	84.7	Confident	51 Å²	51	64.8 Å²	64.8	31%	0.313	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-10.3	-176.4	54.5	0	0	0	0	115.3	Y667 L670 Y674	Y667-T676 HydrophobicContact CD1-CG2 4.18Å; Y667-T676 HydrophobicContact CE1-CG2 3.79Å; L670-T676 HydrophobicContact CD1-CG2 4.37Å; Y674-T676 PolarHBondContact O-N 3.31Å
677	E	68	Low	84.7	Confident	195 Å²	195	66 Å²	66	91%	0.911	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-19.8	175.4	-58.9	-173.8	161.8	0	0	113.4	M675	M675-E677 PolarHBondContact O-N 3.09Å
678	V	68.1	Low	84.8	Confident	114 Å²	114	66 Å²	66	69%	0.691	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-18.3	-179.1	-171.9	0	0	0	0	112	M675	M675-V678 HydrophobicContact CE-CG2 4.22Å; M675-V678 PolarHBondContact O-N 3.37Å; M675-V678 VanDerWaalsContact O-N 3.14Å
679	A	81.6	Confident	84.9	Confident	12 Å²	12	68.1 Å²	68.1	10%	0.099	32%	0.32	C	S	.	.	S	Bend	trans	-93.4	146.9	-177.6	0	0	0	0	0	112.3	Y667 S668 L670 R681	Y667-A679 HydrophobicContact CD1-CB 4.35Å; S668-A679 WeakPolarHBondContact O-CA 3.47Å; S668-A679 WeakPolarHBondContact O-CB 3.43Å; L670-A679 HydrophobicContact CB-CB 3.76Å; L670-A679 HydrophobicContact CD1-CB 3.58Å; L670-A679 HydrophobicContact CG-CB 4.28Å; A679-R681 PolarHBondContact O-N 3.17Å
680	E	88.3	Confident	85.3	Confident	36 Å²	36	68.3 Å²	68.3	17%	0.168	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	102.1	173.9	-77.3	-160.1	-139.6	0	0	110.9	S668 R682 L711 T712 I717	S668-E680 PolarHBondContact N-O 3.48Å; S668-E680 PolarHBondContact O-N 2.82Å; E680-R682 IonicContact OE2-CZ 3.27Å; E680-R682 IonicContact OE2-NH1 3.99Å; E680-R682 PolarHBondContact OE2-NH1 3.19Å; E680-R682 IonicContact OE2-NH2 3.14Å; E680-R682 PolarHBondContact OE2-NH2 2.89Å; E680-L711 HydrophobicContact CB-CD2 4.34Å; E680-T712 WeakPolarHBondContact OE1-CB 3.5Å; E680-T712 PolarHBondContact OE1-N 3.24Å; E680-T712 PolarHBondContact OE1-OG1 2.91Å; E680-T712 PolarHBondContact OE2-N 2.95Å; E680-T712 PolarHBondContact OE2-OG1 3.18Å; E680-I717 HydrophobicContact CB-CD1 3.61Å; E680-I717 HydrophobicContact CG-CD1 3.5Å; E680-I717 VanDerWaalsContact CG-CD1 3.5Å; E680-I717 WeakPolarHBondContact OE1-CD1 3.36Å
681	R	91.8	Very high	85.7	Confident	151 Å²	151	72.7 Å²	72.7	57%	0.57	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	132	169.6	-170.9	177.3	62.5	-165.9	-7	110.4	L665 T666 Y667 A679	L665-R681 HydrophobicContact CD2-CG 4.41Å; T666-R681 CarbonylContact O-C 3.54Å; T666-R681 VanDerWaalsContact O-CA 3.29Å; T666-R681 WeakPolarHBondContact O-CA 3.32Å; Y667-R681 HydrophobicContact CD1-CB 4.03Å; Y667-R681 HydrophobicContact CD1-CG 4.25Å; Y667-R681 HydrophobicContact CE1-CB 3.87Å; Y667-R681 HydrophobicContact CE1-CG 3.82Å; Y667-R681 HydrophobicContact CE2-CG 4.34Å; Y667-R681 WeakPolarHBondContact OH-CD 3.49Å; A679-R681 PolarHBondContact O-N 3.17Å
682	R	93.6	Very high	86.2	Confident	38 Å²	38	76 Å²	76	14%	0.143	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	166.2	166.4	-65.8	-63.8	-173.5	-72.8	-4.1	110.2	T666 E680 L707 V710 L711	T666-R682 PolarHBondContact N-O 2.79Å; T666-R682 PolarHBondContact O-N 2.69Å; T666-R682 WeakPolarHBondContact OG1-CB 3.39Å; T666-R682 PolarHBondContact OG1-O 2.88Å; E680-R682 IonicContact OE2-CZ 3.27Å; E680-R682 IonicContact OE2-NH1 3.99Å; E680-R682 PolarHBondContact OE2-NH1 3.19Å; E680-R682 IonicContact OE2-NH2 3.14Å; E680-R682 PolarHBondContact OE2-NH2 2.89Å; R682-L707 HydrophobicContact CB-CD1 4.39Å; R682-L707 HydrophobicContact CB-CD2 4.13Å; R682-L707 HydrophobicContact CG-CD1 4.43Å; R682-V710 PolarHBondContact NE-O 2.81Å; R682-V710 PolarHBondContact NH2-O 3.22Å; R682-L711 HydrophobicContact CG-CD2 3.69Å
683	K	93.6	Very high	86.8	Confident	116 Å²	116	76.1 Å²	76.1	50%	0.504	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	150	170.7	-68	158	170.5	174.9	0	109.7	L665 E708	L665-K683 HydrophobicContact CD2-CG 3.83Å; K683-E708 HydrophobicContact CB-CB 4.41Å; K683-E708 WeakPolarHBondContact CD-OE2 3.44Å; K683-E708 IonicContact NZ-OE2 3.58Å; K683-E708 PolarHBondContact NZ-OE2 2.74Å; K683-E708 PolarHBondContact O-N 2.84Å
684	V	94.6	Very high	87.2	Confident	9 Å²	9	78 Å²	78	6%	0.055	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	132.4	168.6	-171.6	0	0	0	0	109.2	P661 W664 T666 R686 I687 L705	P661-V684 HydrophobicContact CB-CB 4Å; P661-V684 HydrophobicContact CB-CG1 3.8Å; W664-V684 HydrophobicContact CB-CB 4.34Å; W664-V684 HydrophobicContact CB-CG2 3.76Å; T666-V684 HydrophobicContact CG2-CG2 3.68Å; V684-R686 WeakPolarHBondContact CG1-O 3.1Å; V684-I687 HydrophobicContact CG1-CG1 3.81Å; V684-L705 HydrophobicContact CG1-CB 4.38Å; V684-L705 HydrophobicContact CG1-CD2 4.26Å
685	K	94.3	Very high	87.6	Confident	115 Å²	115	73.1 Å²	73.1	50%	0.5	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-38.7	173	171.8	-174.4	168.1	-164	0	111.3	E706 E708	K685-E706 WeakPolarHBondContact CB-O 3.33Å; K685-E706 HydrophobicContact CD-CG 4.39Å; K685-E706 WeakPolarHBondContact CD-OE1 3.34Å; K685-E706 WeakPolarHBondContact CE-OE1 3.32Å; K685-E706 PolarHBondContact N-O 3.5Å; K685-E706 IonicContact NZ-OE1 3.9Å; K685-E706 PolarHBondContact NZ-OE1 2.05Å; K685-E708 HydrophobicContact CB-CB 4.25Å
686	R	94.3	Very high	88.1	Confident	102 Å²	102	75.1 Å²	75.1	39%	0.385	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	137.6	180	174.8	169.2	57	133.7	-3	110.3	V684 I688 E706	V684-R686 WeakPolarHBondContact CG1-O 3.1Å; R686-I688 HydrophobicContact CG-CG1 3.85Å; R686-I688 VanDerWaalsContact NH1-CD1 3.3Å; R686-E706 HydrophobicContact CB-CB 4.11Å; R686-E706 IonicContact CZ-OE2 3.41Å; R686-E706 VanDerWaalsContact CZ-OE2 3.23Å; R686-E706 PolarHBondContact N-O 3.21Å; R686-E706 IonicContact NE-OE2 3.84Å; R686-E706 PolarHBondContact NE-OE2 2.97Å; R686-E706 IonicContact NH2-OE2 2.7Å; R686-E706 PolarHBondContact NH2-OE2 3.49Å; R686-E706 PolarHBondContact O-N 2.76Å
687	I	95.1	Very high	88.8	Confident	24 Å²	24	75.4 Å²	75.4	12%	0.123	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	137.4	167.6	-56.7	165.8	0	0	0	106.9	F650 P661 V684 L705	F650-I687 HydrophobicContact CB-CD1 4.45Å; F650-I687 HydrophobicContact CB-CG2 3.88Å; F650-I687 HydrophobicContact CD1-CD1 3.84Å; F650-I687 HydrophobicContact CD1-CG1 4.47Å; F650-I687 HydrophobicContact CD1-CG2 4.18Å; F650-I687 HydrophobicContact CD2-CG2 3.96Å; F650-I687 HydrophobicContact CG-CD1 4.32Å; F650-I687 HydrophobicContact CG-CG2 3.71Å; P661-I687 HydrophobicContact CB-CD1 4.32Å; P661-I687 HydrophobicContact CB-CG1 4.19Å; V684-I687 HydrophobicContact CG1-CG1 3.81Å; I687-L705 HydrophobicContact CB-CD2 4.21Å; I687-L705 HydrophobicContact CG1-CD2 3.78Å; I687-L705 HydrophobicContact CG2-CD2 3.95Å
688	I	95.3	Very high	89.7	Confident	22 Å²	22	68.5 Å²	68.5	11%	0.113	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	89	176.1	-42.4	173.3	0	0	0	108.3	W642 R686 A703 L704 W841	W642-I688 HydrophobicContact CH2-CD1 3.82Å; W642-I688 HydrophobicContact CZ3-CD1 3.73Å; R686-I688 HydrophobicContact CG-CG1 3.85Å; R686-I688 VanDerWaalsContact NH1-CD1 3.3Å; I688-A703 CarbonylContact O-C 3.58Å; I688-A703 VanDerWaalsContact O-CA 3.26Å; I688-A703 WeakPolarHBondContact O-CA 3.32Å; I688-L704 HydrophobicContact CB-CB 4.29Å; I688-L704 PolarHBondContact N-O 3.28Å; I688-L704 PolarHBondContact O-N 2.94Å; I688-W841 HydrophobicContact CG2-CZ2 4.24Å
689	P	94.6	Very high	90.7	Very high	44 Å²	44	63.9 Å²	63.9	29%	0.286	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	155.4	167	32.7	-33.6	0	0	0	109.8	A647 V651 A703	A647-P689 HydrophobicContact CB-CB 4.09Å; V651-P689 HydrophobicContact CG2-CB 3.58Å; V651-P689 HydrophobicContact CG2-CG 3.73Å; P689-A703 HydrophobicContact CB-CB 4.44Å
690	H	95.1	Very high	91.3	Very high	18 Å²	18	66.3 Å²	66.3	8%	0.083	32%	0.318	C	S	.	.			trans	-61.7	134.6	173.7	-164.3	-84.9	0	0	0	110.9	D692 Y693 Y700 I702 W841	H690-D692 IonicContact CE1-OD2 3.15Å; H690-D692 PolarHBondContact CE1-OD2 3.39Å; H690-D692 PolarHBondContact ND1-N 2.61Å; H690-D692 IonicContact ND1-OD2 2.62Å; H690-D692 PolarHBondContact O-N 2.66Å; H690-Y693 VanDerWaalsContact O-CB 3.31Å; H690-Y693 WeakPolarHBondContact O-CB 3.5Å; H690-Y693 PolarHBondContact O-N 3.06Å; H690-Y693 VanDerWaalsContact O-N 3.09Å; H690-Y700 AromaticContact CE1-CD1 3.21Å; H690-Y700 WeakPolarHBondContact CE1-CD1 3.26Å; H690-Y700 AromaticContact CE1-CE1 3.56Å; H690-Y700 AromaticContact CG-CD1 3.88Å; H690-Y700 AromaticContact ND1-CD1 3.21Å; H690-Y700 WeakPolarHBondContact ND1-CD1 3.39Å; H690-Y700 AromaticContact ND1-CG 3.74Å; H690-Y700 AromaticContact NE2-CD1 3.84Å; H690-I702 HydrophobicContact CB-CG2 3.77Å; H690-I702 PolarHBondContact N-O 3.42Å; H690-W841 HydrophobicContact CB-CZ2 4.38Å; H690-W841 AromaticContact CD2-CD1 3.81Å; H690-W841 AromaticContact CD2-CD2 3.68Å; H690-W841 AromaticContact CD2-CE2 3.63Å; H690-W841 AromaticContact CD2-CG 3.82Å; H690-W841 AromaticContact CD2-NE1 3.7Å; H690-W841 AromaticContact NE2-CD1 3.83Å
691	P	92.4	Very high	91.5	Very high	103 Å²	103	64.6 Å²	64.6	67%	0.669	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-29.2	-175.1	23.8	-35.4	0	0	0	114
692	D	93	Very high	91.7	Very high	99 Å²	99	57.4 Å²	57.4	53%	0.529	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	13.7	178.5	-52.8	-63	0	0	0	113.9	H690 Y700	H690-D692 IonicContact CE1-OD2 3.15Å; H690-D692 PolarHBondContact CE1-OD2 3.39Å; H690-D692 PolarHBondContact ND1-N 2.61Å; H690-D692 IonicContact ND1-OD2 2.62Å; H690-D692 PolarHBondContact O-N 2.66Å; D692-Y700 HydrophobicContact CB-CD1 4.15Å; D692-Y700 HydrophobicContact CB-CD2 4.03Å; D692-Y700 HydrophobicContact CB-CE1 4.27Å; D692-Y700 HydrophobicContact CB-CE2 4.18Å; D692-Y700 HydrophobicContact CB-CG 4.03Å
693	Y	92.3	Very high	91.9	Very high	33 Å²	33	55.6 Å²	55.6	13%	0.129	28%	0.276	C	S	.	.			trans	-60.3	135.2	177.7	172.3	-111	0	0	0	112.6	A647 H648 V651 H690 E695 D699 D701	A647-Y693 HydrophobicContact CB-CD1 3.94Å; A647-Y693 HydrophobicContact CB-CD2 3.68Å; A647-Y693 HydrophobicContact CB-CE1 4.3Å; A647-Y693 HydrophobicContact CB-CE2 4.06Å; A647-Y693 HydrophobicContact CB-CG 3.63Å; H648-Y693 VanDerWaalsContact CB-OH 3.25Å; H648-Y693 WeakPolarHBondContact CB-OH 3.46Å; V651-Y693 HydrophobicContact CB-CD1 3.87Å; V651-Y693 HydrophobicContact CB-CE1 3.77Å; V651-Y693 HydrophobicContact CG1-CD1 3.86Å; V651-Y693 HydrophobicContact CG1-CE1 3.9Å; V651-Y693 HydrophobicContact CG2-CD1 4.21Å; H690-Y693 VanDerWaalsContact O-CB 3.31Å; H690-Y693 WeakPolarHBondContact O-CB 3.5Å; H690-Y693 PolarHBondContact O-N 3.06Å; H690-Y693 VanDerWaalsContact O-N 3.09Å; Y693-E695 HydrophobicContact CE1-CG 3.83Å; Y693-D699 WeakPolarHBondContact CD2-O 3.5Å; Y693-D701 HydrophobicContact CD2-CB 4.13Å; Y693-D701 HydrophobicContact CE2-CB 3.84Å
694	N	88.3	Confident	92.1	Very high	65 Å²	65	50.1 Å²	50.1	35%	0.348	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-122.6	109.2	-176.4	-174.7	-20.3	0	0	0	112	I696 T697 H698 D699	N694-I696 PolarHBondContact O-N 2.9Å; N694-I696 VanDerWaalsContact O-N 3.08Å; N694-I696 WeakPolarHBondContact OD1-CB 3.21Å; N694-I696 PolarHBondContact OD1-N 2.77Å; N694-T697 PolarHBondContact ND2-OG1 3.17Å; N694-T697 PolarHBondContact O-N 3.1Å; N694-H698 WeakPolarHBondContact O-CA 3.42Å; N694-H698 PolarHBondContact O-N 3.22Å; N694-D699 PolarHBondContact N-O 2.89Å; N694-D699 VanDerWaalsContact N-O 3.12Å
695	E	84.1	Confident	92.2	Very high	92 Å²	92	49.7 Å²	49.7	43%	0.43	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-22.5	178.3	-70	-178.8	-149.6	0	0	114.6	V651 N653 Y693	V651-E695 HydrophobicContact CG1-CG 4.48Å; N653-E695 PolarHBondContact ND2-OE1 3.01Å; N653-E695 PolarHBondContact ND2-OE2 3.05Å; Y693-E695 HydrophobicContact CE1-CG 3.83Å
696	I	82.3	Confident	92.3	Very high	139 Å²	139	45 Å²	45	71%	0.713	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-35.3	-174.9	-58.5	176.1	0	0	0	112.1	N694	N694-I696 PolarHBondContact O-N 2.9Å; N694-I696 VanDerWaalsContact O-N 3.08Å; N694-I696 WeakPolarHBondContact OD1-CB 3.21Å; N694-I696 PolarHBondContact OD1-N 2.77Å
697	T	83.8	Confident	92.4	Very high	57 Å²	57	40.1 Å²	40.1	35%	0.35	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-4.3	-177.3	65.7	0	0	0	0	113.6	N694 D699 M781	N694-T697 PolarHBondContact ND2-OG1 3.17Å; N694-T697 PolarHBondContact O-N 3.1Å; T697-D699 PolarHBondContact O-N 2.96Å; T697-D699 WeakPolarHBondContact OG1-CB 3.24Å; T697-D699 PolarHBondContact OG1-N 2.92Å; T697-M781 WeakPolarHBondContact O-CE 3.46Å
698	H	87	Confident	92.4	Very high	49 Å²	49	43.5 Å²	43.5	23%	0.227	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	28.3	-170	-55.1	-58.6	0	0	0	113.4	N694 D701 M781 W819	N694-H698 WeakPolarHBondContact O-CA 3.42Å; N694-H698 PolarHBondContact O-N 3.22Å; H698-D701 VanDerWaalsContact O-CB 3.32Å; H698-D701 WeakPolarHBondContact O-CB 3.46Å; H698-M781 WeakPolarHBondContact O-CE 3.44Å; H698-W819 VanDerWaalsContact CB-CD1 3.45Å; H698-W819 HydrophobicContact CB-CG 4.27Å; H698-W819 AromaticContact CD2-CD1 3.86Å; H698-W819 AromaticContact CD2-CG 3.85Å; H698-W819 AromaticContact CG-CD1 3.92Å
699	D	89.8	Confident	92.3	Very high	18 Å²	18	48.4 Å²	48.4	10%	0.096	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-82.1	145.8	175.7	-166.7	30.5	0	0	0	109.1	Y693 N694 T697 D701 T778 R780 M781	Y693-D699 WeakPolarHBondContact CD2-O 3.5Å; N694-D699 PolarHBondContact N-O 2.89Å; N694-D699 VanDerWaalsContact N-O 3.12Å; T697-D699 PolarHBondContact O-N 2.96Å; T697-D699 WeakPolarHBondContact OG1-CB 3.24Å; T697-D699 PolarHBondContact OG1-N 2.92Å; D699-D701 PolarHBondContact O-N 3.15Å; D699-T778 HydrophobicContact CB-CG2 4.22Å; D699-T778 PolarHBondContact OD1-OG1 3.05Å; D699-R780 IonicContact OD1-CZ 2.74Å; D699-R780 IonicContact OD1-NE 2.66Å; D699-R780 PolarHBondContact OD1-NE 2.99Å; D699-R780 IonicContact OD1-NH2 3.93Å; D699-R780 PolarHBondContact OD1-NH2 3.01Å; D699-R780 IonicContact OD2-CZ 3.23Å; D699-R780 IonicContact OD2-NE 2.84Å; D699-R780 PolarHBondContact OD2-NE 2.67Å; D699-R780 IonicContact OD2-NH2 2.78Å; D699-R780 PolarHBondContact OD2-NH2 2.7Å; D699-M781 HydrophobicContact CB-CE 4.15Å
700	Y	93	Very high	92.3	Very high	63 Å²	63	48.7 Å²	48.7	25%	0.247	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	32.4	-169.1	-61	-98.5	0	0	0	114.1	H690 D692 I702 R780 F838	H690-Y700 AromaticContact CE1-CD1 3.21Å; H690-Y700 WeakPolarHBondContact CE1-CD1 3.26Å; H690-Y700 AromaticContact CE1-CE1 3.56Å; H690-Y700 AromaticContact CG-CD1 3.88Å; H690-Y700 AromaticContact ND1-CD1 3.21Å; H690-Y700 WeakPolarHBondContact ND1-CD1 3.39Å; H690-Y700 AromaticContact ND1-CG 3.74Å; H690-Y700 AromaticContact NE2-CD1 3.84Å; D692-Y700 HydrophobicContact CB-CD1 4.15Å; D692-Y700 HydrophobicContact CB-CD2 4.03Å; D692-Y700 HydrophobicContact CB-CE1 4.27Å; D692-Y700 HydrophobicContact CB-CE2 4.18Å; D692-Y700 HydrophobicContact CB-CG 4.03Å; Y700-I702 VanDerWaalsContact C-N 3.27Å; Y700-I702 PolarHBondContact O-N 2.69Å; Y700-R780 VanDerWaalsContact CE2-NE 3.29Å; Y700-F838 AromaticContact CD1-CE1 3.52Å; Y700-F838 HydrophobicContact CD1-CE1 3.52Å; Y700-F838 AromaticContact CD1-CZ 3.93Å; Y700-F838 HydrophobicContact CD1-CZ 3.93Å; Y700-F838 HydrophobicContact CE1-CE1 4Å; Y700-F838 HydrophobicContact CE1-CZ 4.5Å; Y700-F838 HydrophobicContact CG-CE1 4.42Å; Y700-F838 HydrophobicContact CG-CZ 4.44Å
701	D	94.4	Very high	92.1	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.			trans	-73.9	74.2	179.5	-173.4	29.1	0	0	0	112.7	A647 H648 Y693 H698 D699 S818 T833	A647-D701 WeakPolarHBondContact CA-OD1 3.31Å; A647-D701 WeakPolarHBondContact CB-OD1 3.25Å; A647-D701 PolarHBondContact N-OD1 2.9Å; H648-D701 IonicContact CE1-OD2 3.69Å; H648-D701 IonicContact CG-OD1 2.89Å; H648-D701 IonicContact CG-OD2 3.82Å; H648-D701 PolarHBondContact N-OD1 2.9Å; H648-D701 IonicContact ND1-OD1 3.49Å; H648-D701 PolarHBondContact ND1-OD1 2.91Å; H648-D701 IonicContact ND1-OD2 2.79Å; H648-D701 PolarHBondContact ND1-OD2 3.29Å; Y693-D701 HydrophobicContact CD2-CB 4.13Å; Y693-D701 HydrophobicContact CE2-CB 3.84Å; H698-D701 VanDerWaalsContact O-CB 3.32Å; H698-D701 WeakPolarHBondContact O-CB 3.46Å; D699-D701 PolarHBondContact O-N 3.15Å; D701-S818 VanDerWaalsContact OD2-CB 3.3Å; D701-S818 WeakPolarHBondContact OD2-CB 3.1Å; D701-S818 PolarHBondContact OD2-OG 2.97Å; D701-T833 WeakPolarHBondContact O-CB 3.26Å; D701-T833 PolarHBondContact O-OG1 3.45Å
702	I	96.1	Very high	92	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.239	C	C	.	.			trans	-147	137.5	-178.4	-168.6	168.1	0	0	0	111	L644 H690 Y700 I816 T833 F838 W841 I842	L644-I702 HydrophobicContact CD1-CD1 3.98Å; L644-I702 HydrophobicContact CD1-CG1 3.82Å; H690-I702 HydrophobicContact CB-CG2 3.77Å; H690-I702 PolarHBondContact N-O 3.42Å; Y700-I702 VanDerWaalsContact C-N 3.27Å; Y700-I702 PolarHBondContact O-N 2.69Å; I702-I816 HydrophobicContact CB-CD1 4.3Å; I702-I816 HydrophobicContact CD1-CD1 3.79Å; I702-I816 HydrophobicContact CG1-CD1 3.58Å; I702-T833 HydrophobicContact CB-CG2 4.18Å; I702-F838 HydrophobicContact CD1-CB 3.62Å; I702-F838 HydrophobicContact CD1-CD2 3.9Å; I702-F838 HydrophobicContact CD1-CG 3.8Å; I702-F838 HydrophobicContact CG2-CD1 4.13Å; I702-F838 HydrophobicContact CG2-CD2 4.41Å; I702-F838 HydrophobicContact CG2-CE1 4.31Å; I702-F838 HydrophobicContact CG2-CG 4.18Å; I702-W841 HydrophobicContact CD1-CE3 4.47Å; I702-W841 HydrophobicContact CD1-CZ3 4.21Å; I702-W841 HydrophobicContact CG1-CZ3 3.98Å; I702-W841 HydrophobicContact CG2-CE3 4.37Å; I702-W841 HydrophobicContact CG2-CH2 4.45Å; I702-W841 HydrophobicContact CG2-CZ3 4Å; I702-I842 HydrophobicContact CD1-CD1 4.36Å
703	A	96.6	Very high	91.7	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	143.9	178.4	0	0	0	0	0	112.2	S645 A647 F650 I688 P689	S645-A703 PolarHBondContact N-O 2.64Å; S645-A703 PolarHBondContact O-N 3.41Å; A647-A703 HydrophobicContact CB-CB 4.46Å; F650-A703 HydrophobicContact CD2-CB 3.78Å; F650-A703 HydrophobicContact CE2-CB 3.89Å; I688-A703 CarbonylContact O-C 3.58Å; I688-A703 VanDerWaalsContact O-CA 3.26Å; I688-A703 WeakPolarHBondContact O-CA 3.32Å; P689-A703 HydrophobicContact CB-CB 4.44Å
704	L	97.1	Very high	91.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	139.5	172.7	-70	162.7	0	0	0	110.4	I638 W642 L643 L644 I688 W841 I842 E845 T846	I638-L704 HydrophobicContact CD1-CD2 3.74Å; W642-L704 HydrophobicContact CE3-CB 4.21Å; W642-L704 HydrophobicContact CZ3-CB 4.12Å; L643-L704 WeakPolarHBondContact O-CA 3.31Å; L644-L704 HydrophobicContact CD1-CD2 3.66Å; L644-L704 HydrophobicContact CD1-CG 4.28Å; I688-L704 HydrophobicContact CB-CB 4.29Å; I688-L704 PolarHBondContact N-O 3.28Å; I688-L704 PolarHBondContact O-N 2.94Å; L704-W841 HydrophobicContact CB-CH2 4.43Å; L704-W841 HydrophobicContact CD1-CE3 4.25Å; L704-W841 HydrophobicContact CD1-CH2 3.68Å; L704-W841 HydrophobicContact CD1-CZ2 4.21Å; L704-W841 HydrophobicContact CD1-CZ3 3.7Å; L704-W841 HydrophobicContact CG-CH2 3.78Å; L704-W841 HydrophobicContact CG-CZ3 3.77Å; L704-I842 HydrophobicContact CD2-CG2 4.23Å; L704-E845 HydrophobicContact CD1-CB 3.77Å; L704-E845 HydrophobicContact CD1-CG 4.45Å; L704-T846 HydrophobicContact CD1-CG2 3.82Å; L704-T846 HydrophobicContact CD2-CG2 3.9Å; L704-T846 HydrophobicContact CG-CG2 4.44Å
705	L	96.9	Very high	90.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	119.8	174.9	-52.8	175.7	0	0	0	109.4	L624 W642 L643 F650 V684 I687	L624-L705 HydrophobicContact CD1-CD1 3.98Å; L624-L705 HydrophobicContact CD2-CD1 3.77Å; W642-L705 WeakPolarHBondContact CA-O 3.48Å; L643-L705 HydrophobicContact CB-CB 4.12Å; L643-L705 HydrophobicContact CB-CD1 4.32Å; L643-L705 HydrophobicContact CD1-CD1 4.28Å; L643-L705 PolarHBondContact N-O 3.22Å; L643-L705 PolarHBondContact O-N 2.75Å; F650-L705 HydrophobicContact CE1-CD2 3.99Å; F650-L705 HydrophobicContact CE2-CD2 4.08Å; F650-L705 HydrophobicContact CZ-CD1 4.01Å; F650-L705 HydrophobicContact CZ-CD2 3.72Å; F650-L705 HydrophobicContact CZ-CG 4.31Å; V684-L705 HydrophobicContact CG1-CB 4.38Å; V684-L705 HydrophobicContact CG1-CD2 4.26Å; I687-L705 HydrophobicContact CB-CD2 4.21Å; I687-L705 HydrophobicContact CG1-CD2 3.78Å; I687-L705 HydrophobicContact CG2-CD2 3.95Å
706	E	96.8	Very high	90.2	Very high	16 Å²	16	43.6 Å²	43.6	8%	0.075	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	124.7	171.8	-165.2	-172.6	159.2	0	0	109	R641 W642 K685 R686	R641-E706 HydrophobicContact CG-CG 4.26Å; W642-E706 HydrophobicContact CE3-CB 3.95Å; W642-E706 HydrophobicContact CE3-CG 4.35Å; W642-E706 HydrophobicContact CH2-CB 4.08Å; W642-E706 HydrophobicContact CH2-CG 4.13Å; W642-E706 HydrophobicContact CZ2-CG 4.24Å; W642-E706 HydrophobicContact CZ3-CB 3.69Å; W642-E706 HydrophobicContact CZ3-CG 4.17Å; K685-E706 WeakPolarHBondContact CB-O 3.33Å; K685-E706 HydrophobicContact CD-CG 4.39Å; K685-E706 WeakPolarHBondContact CD-OE1 3.34Å; K685-E706 WeakPolarHBondContact CE-OE1 3.32Å; K685-E706 PolarHBondContact N-O 3.5Å; K685-E706 IonicContact NZ-OE1 3.9Å; K685-E706 PolarHBondContact NZ-OE1 2.05Å; R686-E706 HydrophobicContact CB-CB 4.11Å; R686-E706 IonicContact CZ-OE2 3.41Å; R686-E706 VanDerWaalsContact CZ-OE2 3.23Å; R686-E706 PolarHBondContact N-O 3.21Å; R686-E706 IonicContact NE-OE2 3.84Å; R686-E706 PolarHBondContact NE-OE2 2.97Å; R686-E706 IonicContact NH2-OE2 2.7Å; R686-E706 PolarHBondContact NH2-OE2 3.49Å; R686-E706 PolarHBondContact O-N 2.76Å
707	L	96.2	Very high	90.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	145.2	178.3	-59.6	177.8	0	0	0	112.2	R641 L643 T666 R682 E709 L711	R641-L707 PolarHBondContact NH1-O 3.48Å; R641-L707 VanDerWaalsContact NH1-O 3.1Å; R641-L707 WeakPolarHBondContact O-CB 3.27Å; R641-L707 WeakPolarHBondContact O-CG 3.08Å; R641-L707 PolarHBondContact O-N 2.87Å; L643-L707 HydrophobicContact CD1-CD2 4.09Å; L643-L707 HydrophobicContact CD2-CD1 4.32Å; L643-L707 HydrophobicContact CG-CD1 4.31Å; L643-L707 HydrophobicContact CG-CD2 4.38Å; L643-L707 HydrophobicContact CG-CG 4.42Å; T666-L707 HydrophobicContact CG2-CD2 3.97Å; R682-L707 HydrophobicContact CB-CD1 4.39Å; R682-L707 HydrophobicContact CB-CD2 4.13Å; R682-L707 HydrophobicContact CG-CD1 4.43Å; L707-E709 WeakPolarHBondContact CB-O 3.19Å; L707-L711 HydrophobicContact CD1-CD1 3.92Å; L707-L711 HydrophobicContact CD1-CD2 4.18Å; L707-L711 HydrophobicContact CD1-CG 3.74Å
708	E	94.6	Very high	91	Very high	96 Å²	96	36.2 Å²	36.2	45%	0.449	18%	0.179	S	C	.	.	S	Bend	trans	-63.5	-49.6	176.5	-170.4	169.9	-146	0	0	110.8	R641 K683 K685	R641-E708 PolarHBondContact NH1-O 2.87Å; K683-E708 HydrophobicContact CB-CB 4.41Å; K683-E708 WeakPolarHBondContact CD-OE2 3.44Å; K683-E708 IonicContact NZ-OE2 3.58Å; K683-E708 PolarHBondContact NZ-OE2 2.74Å; K683-E708 PolarHBondContact O-N 2.84Å; K685-E708 HydrophobicContact CB-CB 4.25Å
709	E	94.6	Very high	91.3	Very high	124 Å²	124	34.4 Å²	34.4	58%	0.579	17%	0.172	S	C	*	.	S	Bend	trans	-117.2	148.6	176.6	-63.5	167.3	177.9	0	0	109.7	L707	L707-E709 WeakPolarHBondContact CB-O 3.19Å
710	V	93.7	Very high	91.6	Very high	50 Å²	50	33.8 Å²	33.8	30%	0.303	17%	0.168	S	C	.	.	P	Polyproline II helix	trans	-69.4	150.9	179.1	-61.1	0	0	0	0	111.7	E640 R641 R682	E640-V710 HydrophobicContact CB-CB 4.28Å; E640-V710 HydrophobicContact CG-CG1 4.4Å; E640-V710 CarbonylContact O-C 3.55Å; E640-V710 VanDerWaalsContact O-CA 3.28Å; E640-V710 WeakPolarHBondContact O-CA 3.46Å; E640-V710 WeakPolarHBondContact OE1-CG1 3.34Å; R641-V710 HydrophobicContact CB-CG1 4.49Å; R641-V710 VanDerWaalsContact NH2-CG1 3.32Å; R682-V710 PolarHBondContact NE-O 2.81Å; R682-V710 PolarHBondContact NH2-O 3.22Å
711	L	91.8	Very high	91.5	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.026	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-75.1	150.2	167.7	-64.2	171.4	0	0	0	110.5	I637 E640 L643 S668 E680 R682 L707 I717	I637-L711 HydrophobicContact CD1-CD1 3.96Å; I637-L711 HydrophobicContact CG1-CD1 4.17Å; I637-L711 HydrophobicContact CG2-CD1 4.14Å; E640-L711 PolarHBondContact O-N 2.69Å; L643-L711 HydrophobicContact CD2-CD1 4.24Å; S668-L711 WeakPolarHBondContact OG-CD2 3.07Å; E680-L711 HydrophobicContact CB-CD2 4.34Å; R682-L711 HydrophobicContact CG-CD2 3.69Å; L707-L711 HydrophobicContact CD1-CD1 3.92Å; L707-L711 HydrophobicContact CD1-CD2 4.18Å; L707-L711 HydrophobicContact CD1-CG 3.74Å; L711-I717 HydrophobicContact CB-CG2 4.22Å; L711-I717 HydrophobicContact CD1-CG2 4.34Å
712	T	89.6	Confident	91.4	Very high	86 Å²	86	31.6 Å²	31.6	53%	0.528	16%	0.161	S	C	.	.	P	Polyproline II helix	trans	-96.6	129.8	168.3	19.4	0	0	0	0	110.8	E680 S714	E680-T712 WeakPolarHBondContact OE1-CB 3.5Å; E680-T712 PolarHBondContact OE1-N 3.24Å; E680-T712 PolarHBondContact OE1-OG1 2.91Å; E680-T712 PolarHBondContact OE2-N 2.95Å; E680-T712 PolarHBondContact OE2-OG1 3.18Å; T712-S714 PolarHBondContact O-N 2.99Å
713	W	87.4	Confident	91.1	Very high	115 Å²	115	31.6 Å²	31.6	44%	0.436	16%	0.161	S	C	.	.	P	Polyproline II helix	trans	-65.8	133.2	178.8	-59.1	131.5	0	0	0	111.2	I637 S639 E640 I717 P719	I637-W713 HydrophobicContact CG2-CH2 4.11Å; I637-W713 HydrophobicContact CG2-CZ3 3.94Å; S639-W713 VanDerWaalsContact C-CH2 3.47Å; E640-W713 HydrophobicContact CB-CH2 4.43Å; E640-W713 HydrophobicContact CB-CZ2 3.88Å; E640-W713 VanDerWaalsContact N-CH2 3.32Å; W713-I717 HydrophobicContact CE3-CG2 4.28Å; W713-P719 HydrophobicContact CH2-CB 3.95Å; W713-P719 HydrophobicContact CH2-CG 3.82Å; W713-P719 HydrophobicContact CZ2-CG 4.35Å; W713-P719 HydrophobicContact CZ3-CB 4.34Å; W713-P719 HydrophobicContact CZ3-CG 4.17Å
714	S	81.5	Confident	90.5	Very high	38 Å²	38	32 Å²	32	27%	0.266	16%	0.164	S	C	.	.	B	Isolated β-bridge	trans	-155.1	175.4	-179.4	70.2	0	0	0	0	110.6	T712 T716 I717 Q718	T712-S714 PolarHBondContact O-N 2.99Å; S714-T716 PolarHBondContact O-N 2.97Å; S714-T716 VanDerWaalsContact O-N 3.09Å; S714-T716 PolarHBondContact OG-OG1 3.24Å; S714-I717 PolarHBondContact N-O 2.88Å; S714-I717 CarbonylContact O-C 3.57Å; S714-I717 PolarHBondContact O-N 3.31Å; S714-I717 WeakPolarHBondContact OG-CB 3.07Å; S714-I717 PolarHBondContact OG-N 2.89Å; S714-Q718 PolarHBondContact O-NE2 3.28Å
715	N	72.8	Confident	89.7	Confident	31 Å²	31	35.2 Å²	35.2	17%	0.166	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-15.6	-177.2	-59.1	48.8	0	0	0	113.1	Q289 P601 Y602	Q289-N715 PolarHBondContact OE1-ND2 2.96Å; Q289-N715 VanDerWaalsContact OE1-ND2 3.08Å; Q289-N715 PolarHBondContact OE1-OD1 3.4Å; P601-N715 HydrophobicContact CB-CB 3.99Å; P601-N715 HydrophobicContact CG-CB 4.31Å; Y602-N715 HydrophobicContact CE2-CB 3.86Å; Y602-N715 WeakPolarHBondContact CE2-O 3.47Å; Y602-N715 WeakPolarHBondContact OH-CB 3.26Å
716	T	79.3	Confident	88.6	Confident	29 Å²	29	35.9 Å²	35.9	18%	0.178	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	0.2	174.8	62.3	0	0	0	0	113.4	V615 P619 G669 S714	V615-T716 HydrophobicContact CG1-CG2 3.94Å; P619-T716 WeakPolarHBondContact CA-O 3.39Å; G669-T716 WeakPolarHBondContact CA-O 3.45Å; S714-T716 PolarHBondContact O-N 2.97Å; S714-T716 VanDerWaalsContact O-N 3.09Å; S714-T716 PolarHBondContact OG-OG1 3.24Å
717	I	89.8	Confident	87.9	Confident	3 Å²	3	35.6 Å²	35.6	2%	0.015	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-138.5	101.3	-175.9	-57.7	178	0	0	0	108.6	P619 I637 E680 L711 W713 S714	P619-I717 CarbonylContact O-C 3.46Å; P619-I717 VanDerWaalsContact O-CA 3.25Å; P619-I717 WeakPolarHBondContact O-CA 3.45Å; I637-I717 HydrophobicContact CD1-CG2 3.71Å; E680-I717 HydrophobicContact CB-CD1 3.61Å; E680-I717 HydrophobicContact CG-CD1 3.5Å; E680-I717 VanDerWaalsContact CG-CD1 3.5Å; E680-I717 WeakPolarHBondContact OE1-CD1 3.36Å; L711-I717 HydrophobicContact CB-CG2 4.22Å; L711-I717 HydrophobicContact CD1-CG2 4.34Å; W713-I717 HydrophobicContact CE3-CG2 4.28Å; S714-I717 PolarHBondContact N-O 2.88Å; S714-I717 CarbonylContact O-C 3.57Å; S714-I717 PolarHBondContact O-N 3.31Å; S714-I717 WeakPolarHBondContact OG-CB 3.07Å; S714-I717 PolarHBondContact OG-N 2.89Å
718	Q	91.6	Very high	87.1	Confident	37 Å²	37	38.2 Å²	38.2	17%	0.173	20%	0.204	C	C	.	.			trans	-144	155	179.8	-65.3	-63.2	-36.5	0	0	110	P601 P619 W620 S714	P601-Q718 HydrophobicContact CG-CG 4.27Å; P619-Q718 CarbonylContact C-O 3.51Å; P619-Q718 HydrophobicContact CB-CB 3.85Å; P619-Q718 HydrophobicContact CB-CG 3.99Å; P619-Q718 HydrophobicContact CG-CB 3.88Å; P619-Q718 HydrophobicContact CG-CG 4.19Å; P619-Q718 PolarHBondContact O-N 2.86Å; W620-Q718 WeakPolarHBondContact CA-O 3.47Å; W620-Q718 WeakPolarHBondContact CB-O 3.22Å; W620-Q718 PolarHBondContact N-O 3.02Å; S714-Q718 PolarHBondContact O-NE2 3.28Å
719	P	94.6	Very high	86.6	Confident	12 Å²	12	35 Å²	35	8%	0.078	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-81.8	147.8	176.3	32.5	-29.5	0	0	0	111.9	C597 G598 I637 W713	C597-P719 HydrophobicContact CB-CG 4.38Å; G598-P719 PolarHBondContact N-O 2.84Å; I637-P719 HydrophobicContact CG2-CB 4.46Å; I637-P719 WeakPolarHBondContact O-CA 3.46Å; W713-P719 HydrophobicContact CH2-CB 3.95Å; W713-P719 HydrophobicContact CH2-CG 3.82Å; W713-P719 HydrophobicContact CZ2-CG 4.35Å; W713-P719 HydrophobicContact CZ3-CB 4.34Å; W713-P719 HydrophobicContact CZ3-CG 4.17Å
720	I	94.6	Very high	85.6	Confident	4 Å²	4	34.9 Å²	34.9	2%	0.021	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-84.9	148.3	166	-168.1	161.8	0	0	0	110.5	W620 I637 I638 S803 W811 Q813	W620-I720 HydrophobicContact CB-CB 3.94Å; W620-I720 HydrophobicContact CB-CG2 4.4Å; W620-I720 HydrophobicContact CD2-CB 3.85Å; W620-I720 HydrophobicContact CD2-CD1 4.12Å; W620-I720 HydrophobicContact CD2-CG1 4.19Å; W620-I720 HydrophobicContact CE3-CB 4.18Å; W620-I720 HydrophobicContact CG-CB 3.73Å; W620-I720 HydrophobicContact CG-CD1 4.28Å; W620-I720 HydrophobicContact CG-CG1 4.43Å; W620-I720 HydrophobicContact CG-CG2 4.45Å; W620-I720 HydrophobicContact CZ2-CD1 4.27Å; I637-I720 PolarHBondContact O-N 2.04Å; I638-I720 HydrophobicContact CG2-CG2 4.45Å; I720-S803 WeakPolarHBondContact CD1-OG 3Å; I720-W811 WeakPolarHBondContact CG1-O 3.08Å; I720-Q813 HydrophobicContact CD1-CB 3.79Å; I720-Q813 HydrophobicContact CD1-CG 4.43Å; I720-Q813 HydrophobicContact CG1-CB 4.13Å; I720-Q813 HydrophobicContact CG2-CB 4Å
721	C	92.4	Very high	84.7	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.014	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-69.8	136.1	173.8	-63.5	0	0	0	0	111.1	C597 G598 W811 F812 Q813	C597-C721 HydrophobicContact CB-CB 4.02Å; C597-C721 WeakPolarHBondContact CB-SG 3.47Å; C597-C721 PolarHBondContact O-SG 2.04Å; C597-C721 WeakPolarHBondContact SG-CA 3.17Å; C597-C721 WeakPolarHBondContact SG-CB 3.24Å; C597-C721 CovalentContact SG-SG 2.05Å; C597-C721 PolarHBondContact SG-SG 2.71Å; G598-C721 PolarHBondContact N-SG 2.89Å; C721-W811 PolarHBondContact N-O 3.41Å; C721-F812 HydrophobicContact CB-CD1 3.49Å; C721-F812 VanDerWaalsContact CB-CD1 3.49Å; C721-F812 HydrophobicContact CB-CD2 4.41Å; C721-F812 HydrophobicContact CB-CE1 3.65Å; C721-F812 HydrophobicContact CB-CG 3.91Å; C721-F812 HydrophobicContact CB-CZ 4.19Å; C721-F812 WeakPolarHBondContact O-CA 3.44Å; C721-Q813 PolarHBondContact O-N 2.98Å
722	L	92.1	Very high	83.7	Confident	15 Å²	15	36.5 Å²	36.5	8%	0.079	21%	0.214	C	C	.	.			trans	-96.4	115.6	172.5	-74	178.8	0	0	0	110	I638 L644 V835 R839 I842	I638-L722 HydrophobicContact CB-CD1 3.98Å; I638-L722 HydrophobicContact CB-CG 4.33Å; I638-L722 HydrophobicContact CD1-CD1 4.04Å; I638-L722 HydrophobicContact CG2-CD1 3.99Å; I638-L722 HydrophobicContact CG2-CD2 3.85Å; I638-L722 HydrophobicContact CG2-CG 3.97Å; L644-L722 HydrophobicContact CD2-CD2 4Å; L722-V835 HydrophobicContact CD2-CG1 3.87Å; L722-R839 PolarHBondContact O-NE 3.38Å; L722-I842 HydrophobicContact CD1-CD1 4.32Å; L722-I842 HydrophobicContact CD1-CG2 3.79Å; L722-I842 HydrophobicContact CD2-CD1 4.35Å
723	P	89.2	Confident	83	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.201	C	C	.	.			trans	-70.8	143.3	-173.6	28.9	-36.1	0	0	0	113.4	H727 F729 F812 Q813 V835 T836 R839	P723-H727 HydrophobicContact CB-CB 3.63Å; P723-F729 HydrophobicContact CB-CE2 4.14Å; P723-F729 HydrophobicContact CB-CZ 3.92Å; P723-F729 HydrophobicContact CG-CE2 3.93Å; P723-F729 HydrophobicContact CG-CZ 3.93Å; P723-F812 HydrophobicContact CB-CD1 3.99Å; P723-Q813 VanDerWaalsContact CD-O 3.29Å; P723-Q813 WeakPolarHBondContact CD-O 3.06Å; P723-Q813 WeakPolarHBondContact CG-O 3.33Å; P723-V835 HydrophobicContact CG-CG1 4.38Å; P723-T836 HydrophobicContact CB-CG2 3.96Å; P723-T836 HydrophobicContact CG-CG2 3.72Å; P723-R839 VanDerWaalsContact O-CD 3.28Å; P723-R839 WeakPolarHBondContact O-CD 3.28Å; P723-R839 VanDerWaalsContact O-CG 3.31Å; P723-R839 WeakPolarHBondContact O-CG 3.39Å
724	S	83.4	Confident	82.7	Confident	10 Å²	10	32.1 Å²	32.1	7%	0.07	20%	0.2	C	C	.	.			trans	-44.1	150.2	166.7	169.1	0	0	0	0	112.9	E579 S726 H727 T836	E579-S724 WeakPolarHBondContact OE2-CA 3.27Å; E579-S724 WeakPolarHBondContact OE2-CB 3.24Å; E579-S724 PolarHBondContact OE2-N 2.61Å; S724-S726 PolarHBondContact O-N 3.11Å; S724-S726 VanDerWaalsContact O-N 3.1Å; S724-S726 PolarHBondContact OG-N 3.14Å; S724-S726 PolarHBondContact OG-OG 2.87Å; S724-H727 VanDerWaalsContact O-CB 3.32Å; S724-H727 WeakPolarHBondContact O-CB 3.17Å; S724-H727 PolarHBondContact O-N 3.09Å; S724-T836 WeakPolarHBondContact O-CG2 3.45Å
725	P	81.4	Confident	83	Confident	66 Å²	66	30.3 Å²	30.3	43%	0.429	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-24.7	169	-20.8	32.3	0	0	0	113.9	R839 E840	P725-R839 HydrophobicContact CG-CB 4.14Å; P725-R839 HydrophobicContact CG-CG 4.35Å; P725-E840 HydrophobicContact CG-CG 4.25Å
726	S	74.3	Confident	83.8	Confident	15 Å²	15	29.3 Å²	29.3	11%	0.105	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	0.8	179.2	69.9	0	0	0	0	114.4	A562 S724	A562-S726 WeakPolarHBondContact O-CB 3.43Å; S724-S726 PolarHBondContact O-N 3.11Å; S724-S726 VanDerWaalsContact O-N 3.1Å; S724-S726 PolarHBondContact OG-N 3.14Å; S724-S726 PolarHBondContact OG-OG 2.87Å
727	H	81.4	Confident	84.4	Confident	10 Å²	10	28.2 Å²	28.2	5%	0.046	18%	0.176	C	C	.	.			trans	-72.2	133.7	-178.1	-158.8	110.5	0	0	0	111.1	N577 P723 S724 F729 E806 T836	N577-H727 PolarHBondContact ND2-NE2 3.23Å; P723-H727 HydrophobicContact CB-CB 3.63Å; S724-H727 VanDerWaalsContact O-CB 3.32Å; S724-H727 WeakPolarHBondContact O-CB 3.17Å; S724-H727 PolarHBondContact O-N 3.09Å; H727-F729 AromaticContact CD2-CD1 3.97Å; H727-F729 AromaticContact CD2-CE1 3.49Å; H727-F729 VanDerWaalsContact CD2-CE1 3.49Å; H727-F729 WeakPolarHBondContact CD2-CE1 3.08Å; H727-F729 AromaticContact CD2-CE2 3.67Å; H727-F729 AromaticContact CD2-CZ 3.32Å; H727-F729 WeakPolarHBondContact CD2-CZ 3.31Å; H727-F729 AromaticContact NE2-CE1 3.39Å; H727-F729 WeakPolarHBondContact NE2-CE1 3.37Å; H727-F729 AromaticContact NE2-CZ 3.58Å; H727-E806 IonicContact CD2-OE1 2.78Å; H727-E806 IonicContact CE1-OE1 3.62Å; H727-E806 IonicContact NE2-OE1 3.04Å; H727-E806 PolarHBondContact NE2-OE1 3.44Å; H727-T836 HydrophobicContact CB-CG2 4.04Å
728	V	80.1	Confident	84.5	Confident	55 Å²	55	28.1 Å²	28.1	33%	0.333	18%	0.176	S	C	.	.			trans	-115.6	113.7	-177	-177.1	0	0	0	0	110.1	V576 N577 L730	V576-V728 HydrophobicContact CG1-CB 4.22Å; N577-V728 PolarHBondContact ND2-O 3.07Å; N577-V728 VanDerWaalsContact ND2-O 3.09Å; N577-V728 PolarHBondContact OD1-N 3.44Å; V728-L730 HydrophobicContact CG1-CD2 3.98Å
729	F	83.4	Confident	84.3	Confident	29 Å²	29	26.4 Å²	26.4	13%	0.127	17%	0.168	C	C	.	.			trans	-90.9	109.9	167.7	-59.2	-72.4	0	0	0	109	P723 H727 L733 C804 E806 F812 A814 T836	P723-F729 HydrophobicContact CB-CE2 4.14Å; P723-F729 HydrophobicContact CB-CZ 3.92Å; P723-F729 HydrophobicContact CG-CE2 3.93Å; P723-F729 HydrophobicContact CG-CZ 3.93Å; H727-F729 AromaticContact CD2-CD1 3.97Å; H727-F729 AromaticContact CD2-CE1 3.49Å; H727-F729 VanDerWaalsContact CD2-CE1 3.49Å; H727-F729 WeakPolarHBondContact CD2-CE1 3.08Å; H727-F729 AromaticContact CD2-CE2 3.67Å; H727-F729 AromaticContact CD2-CZ 3.32Å; H727-F729 WeakPolarHBondContact CD2-CZ 3.31Å; H727-F729 AromaticContact NE2-CE1 3.39Å; H727-F729 WeakPolarHBondContact NE2-CE1 3.37Å; H727-F729 AromaticContact NE2-CZ 3.58Å; F729-L733 HydrophobicContact CB-CD2 4.16Å; F729-L733 HydrophobicContact CD1-CD2 3.89Å; F729-C804 HydrophobicContact CD1-CB 3.93Å; F729-C804 HydrophobicContact CE1-CB 3.95Å; F729-E806 WeakPolarHBondContact CE1-OE1 3.28Å; F729-F812 HydrophobicContact CE1-CB 4.1Å; F729-F812 HydrophobicContact CZ-CB 3.96Å; F729-A814 HydrophobicContact CD1-CB 4.02Å; F729-A814 HydrophobicContact CD2-CB 3.53Å; F729-A814 HydrophobicContact CE1-CB 4.01Å; F729-A814 HydrophobicContact CE2-CB 3.54Å; F729-A814 HydrophobicContact CG-CB 3.78Å; F729-A814 HydrophobicContact CZ-CB 3.78Å; F729-T836 HydrophobicContact CE2-CG2 4.01Å
730	L	73.3	Confident	83.9	Confident	120 Å²	120	25.9 Å²	25.9	63%	0.628	17%	0.165	S	C	*	.			trans	-69	149.2	-175.6	-64.4	174.6	0	0	0	112.3	V728 L733	V728-L730 HydrophobicContact CG1-CD2 3.98Å; L730-L733 WeakPolarHBondContact O-CB 3.31Å; L730-L733 PolarHBondContact O-N 3.1Å
731	A	75.4	Confident	83.1	Confident	60 Å²	60	25.8 Å²	25.8	50%	0.496	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	141.1	171.4	0	0	0	0	0	110.5	L733 N764	A731-L733 PolarHBondContact O-N 2.83Å; A731-N764 HydrophobicContact CB-CB 4.08Å
732	G	69.5	Low	81.9	Confident	30 Å²	30	26 Å²	26	31%	0.309	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	-9.1	-175.5	0	0	0	0	0	115.4	K761 I762	G732-K761 WeakPolarHBondContact O-CD 3.31Å; G732-K761 WeakPolarHBondContact O-CE 3.42Å; G732-K761 PolarHBondContact O-NZ 3.49Å; G732-I762 PolarHBondContact N-O 3.26Å
733	L	76.4	Confident	80.4	Confident	48 Å²	48	30.9 Å²	30.9	25%	0.251	19%	0.192	S	C	.	.			trans	-55.8	135.2	171.5	-178.5	64.7	0	0	0	110	F729 L730 A731 K761 I762 C804	F729-L733 HydrophobicContact CB-CD2 4.16Å; F729-L733 HydrophobicContact CD1-CD2 3.89Å; L730-L733 WeakPolarHBondContact O-CB 3.31Å; L730-L733 PolarHBondContact O-N 3.1Å; A731-L733 PolarHBondContact O-N 2.83Å; L733-K761 VanDerWaalsContact O-CA 3.31Å; L733-K761 WeakPolarHBondContact O-CA 3.41Å; L733-I762 HydrophobicContact CB-CG1 4.23Å; L733-I762 PolarHBondContact O-N 3.38Å; L733-I762 VanDerWaalsContact O-N 3.09Å; L733-C804 HydrophobicContact CD2-CB 4.04Å
734	S	80.3	Confident	79	Confident	61 Å²	61	40.4 Å²	40.4	43%	0.427	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	112.1	-178	-57.3	0	0	0	0	109.9
735	C	88.7	Confident	77.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	179.5	177.9	-52.1	0	0	0	0	108.8	T759 V760 L802 S803 C804	C735-T759 CarbonylContact O-C 3.31Å; C735-T759 WeakPolarHBondContact O-CA 3.5Å; C735-T759 WeakPolarHBondContact O-CG2 3.14Å; C735-V760 PolarHBondContact N-O 2.05Å; C735-V760 PolarHBondContact O-N 3.25Å; C735-L802 HydrophobicContact CB-CD1 3.84Å; C735-L802 HydrophobicContact CB-CG 4.25Å; C735-S803 CarbonylContact C-O 3.5Å; C735-S803 WeakPolarHBondContact CA-O 3.45Å; C735-S803 WeakPolarHBondContact CB-O 3.18Å; C735-C804 HydrophobicContact CB-CB 3.96Å; C735-C804 WeakPolarHBondContact CB-SG 3.32Å; C735-C804 WeakPolarHBondContact SG-CB 3.21Å; C735-C804 CovalentContact SG-SG 2.03Å; C735-C804 PolarHBondContact SG-SG 3.04Å
736	S	89.6	Confident	76.1	Confident	10 Å²	10	43.6 Å²	43.6	7%	0.07	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	153.9	176.7	-59.4	0	0	0	0	112.3	A758 L802 S803	S736-A758 CarbonylContact C-O 3.55Å; S736-A758 VanDerWaalsContact CA-O 3.23Å; S736-A758 WeakPolarHBondContact CA-O 3.48Å; S736-L802 WeakPolarHBondContact O-CA 3.49Å; S736-S803 PolarHBondContact N-O 2.93Å; S736-S803 PolarHBondContact O-N 3.42Å
737	V	90.9	Very high	75	Confident	5 Å²	5	44.5 Å²	44.5	3%	0.03	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	145.5	173.4	-179.7	0	0	0	0	109.2	A758 V760 A793 L802 V817 Y832	V737-A758 PolarHBondContact N-O 2.78Å; V737-A758 PolarHBondContact O-N 3.07Å; V737-V760 HydrophobicContact CG2-CG2 3.85Å; V737-A793 HydrophobicContact CG1-CB 4.17Å; V737-L802 HydrophobicContact CG2-CD1 3.53Å; V737-V817 HydrophobicContact CG1-CG2 3.65Å; V737-Y832 HydrophobicContact CG2-CE1 3.66Å
738	T	91.2	Very high	73.2	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.006	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	139.8	-178.3	40.6	0	0	0	0	113.2	W618 Q621 Q756 E757	W618-T738 HydrophobicContact CB-CG2 4.39Å; W618-T738 HydrophobicContact CD2-CG2 3.39Å; W618-T738 VanDerWaalsContact CE2-CG2 3.41Å; W618-T738 HydrophobicContact CE3-CG2 3.96Å; W618-T738 HydrophobicContact CG-CG2 3.57Å; W618-T738 HydrophobicContact CZ2-CG2 4.02Å; W618-T738 HydrophobicContact CZ3-CG2 4.48Å; Q621-T738 PolarHBondContact NE2-O 3.23Å; Q621-T738 PolarHBondContact OE1-OG1 2.96Å; T738-Q756 WeakPolarHBondContact CA-O 3.03Å; T738-E757 HydrophobicContact CG2-CB 3.9Å
739	G	88.7	Confident	71.3	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.7	-174.2	179	0	0	0	0	0	113.8	Q756 D797	G739-Q756 PolarHBondContact N-O 3.47Å; G739-Q756 PolarHBondContact O-N 2.98Å; G739-D797 VanDerWaalsContact C-OD1 3.24Å; G739-D797 WeakPolarHBondContact CA-OD1 3.43Å
740	W	86.8	Confident	69.9	Low	1 Å²	1	55.9 Å²	55.9	0%	0.004	35%	0.346	C	S	.	.			trans	-116.7	31	177	-60.7	-99.9	0	0	0	110.7	Q621 H631 L670 Q671 Q673 P752 M754 L755 D797	Q621-W740 HydrophobicContact CG-CH2 3.76Å; Q621-W740 HydrophobicContact CG-CZ3 3.75Å; H631-W740 AromaticContact CE1-CE3 3.39Å; H631-W740 AromaticContact ND1-CE3 3.73Å; H631-W740 AromaticContact NE2-CE3 3.85Å; L670-W740 HydrophobicContact CB-CZ2 4.34Å; L670-W740 HydrophobicContact CD2-CZ2 4.42Å; L670-W740 HydrophobicContact CG-CZ2 4.44Å; L670-W740 WeakPolarHBondContact O-CZ2 3.2Å; Q671-W740 PolarHBondContact O-NE1 2.75Å; Q673-W740 HydrophobicContact CG-CG 4.14Å; Q673-W740 VanDerWaalsContact NE2-CD2 3.26Å; Q673-W740 VanDerWaalsContact NE2-CE2 3.31Å; W740-P752 WeakPolarHBondContact O-CD 3.44Å; W740-M754 VanDerWaalsContact CD1-C 3.47Å; W740-L755 HydrophobicContact CD2-CD1 3.92Å; W740-L755 HydrophobicContact CE3-CD1 3.97Å; W740-L755 HydrophobicContact CH2-CD1 3.87Å; W740-L755 HydrophobicContact CZ2-CB 3.91Å; W740-L755 HydrophobicContact CZ2-CD1 3.8Å; W740-L755 HydrophobicContact CZ2-CG 4.3Å; W740-L755 HydrophobicContact CZ3-CD1 3.96Å; W740-L755 VanDerWaalsContact NE1-N 3.12Å; W740-D797 PolarHBondContact N-OD1 3.21Å
741	G	77.2	Confident	69.5	Low	2 Å²	2	53.9 Å²	53.9	2%	0.021	34%	0.336	C	S	.	.			trans	-72.2	169.4	179	0	0	0	0	0	114.5	L743 P752 Q795 D797	G741-L743 PolarHBondContact O-N 2.89Å; G741-P752 WeakPolarHBondContact O-CD 3.42Å; G741-P752 VanDerWaalsContact O-CG 3.27Å; G741-P752 WeakPolarHBondContact O-CG 3.14Å; G741-Q795 CarbonylContact C-O 3.56Å; G741-Q795 WeakPolarHBondContact CA-O 3.33Å; G741-D797 VanDerWaalsContact CA-OD1 3.32Å; G741-D797 WeakPolarHBondContact CA-OD1 3.3Å; G741-D797 PolarHBondContact N-OD1 3Å
742	A	66	Low	68.8	Low	7 Å²	7	51.8 Å²	51.8	6%	0.058	32%	0.317	C	S	.	.			trans	-64.1	119.8	-174.4	0	0	0	0	0	112.3	R744 L751 C794 Q795	A742-R744 PolarHBondContact O-N 3.35Å; A742-L751 HydrophobicContact CB-CD2 4.29Å; A742-C794 VanDerWaalsContact O-CB 3.22Å; A742-C794 WeakPolarHBondContact O-CB 3.29Å; A742-C794 PolarHBondContact O-SG 3.03Å; A742-Q795 PolarHBondContact N-O 3.49Å
743	L	62.3	Low	69	Low	118 Å²	118	52.2 Å²	52.2	62%	0.618	32%	0.316	S	S	*	.	S	Bend	trans	-60.7	-10.6	178.9	-64.4	177.9	0	0	0	114.8	G741 P752 Q756	G741-L743 PolarHBondContact O-N 2.89Å; L743-P752 HydrophobicContact CD1-CB 4.24Å; L743-P752 HydrophobicContact CD2-CB 4.48Å; L743-P752 HydrophobicContact CD2-CG 4.28Å; L743-P752 HydrophobicContact CG-CB 4.24Å; L743-P752 HydrophobicContact CG-CG 4.18Å; L743-Q756 HydrophobicContact CD2-CG 3.79Å
744	R	58.5	Low	69.2	Low	200 Å²	200	52 Å²	52	76%	0.755	31%	0.314	S	S	*	.	S	Bend	trans	-149.3	140.6	177.1	-63.2	-173.4	-179.3	178.2	0.7	110	A742 G746 A747	A742-R744 PolarHBondContact O-N 3.35Å; R744-G746 PolarHBondContact O-N 3.48Å; R744-A747 HydrophobicContact CB-CB 4.2Å; R744-A747 VanDerWaalsContact O-CB 3.23Å; R744-A747 WeakPolarHBondContact O-CB 3.38Å; R744-A747 PolarHBondContact O-N 2.87Å; R744-A747 VanDerWaalsContact O-N 3.13Å
745	E	53.8	Low	69.4	Low	87 Å²	87	49.4 Å²	49.4	41%	0.407	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	130.8	174.7	-165.4	-169.4	124.6	0	0	111.3	A747 G822 C823 R825	E745-A747 VanDerWaalsContact C-N 3.3Å; E745-A747 PolarHBondContact O-N 3.39Å; E745-G822 WeakPolarHBondContact OE2-CA 3.37Å; E745-C823 HydrophobicContact CB-CB 4.25Å; E745-C823 PolarHBondContact OE2-N 3.07Å; E745-R825 IonicContact OE1-CZ 3.15Å; E745-R825 IonicContact OE1-NE 3.45Å; E745-R825 PolarHBondContact OE1-NE 3.44Å; E745-R825 IonicContact OE1-NH2 2.75Å; E745-R825 PolarHBondContact OE1-NH2 2.82Å; E745-R825 IonicContact OE2-CZ 3.87Å; E745-R825 IonicContact OE2-NE 3.5Å; E745-R825 PolarHBondContact OE2-NE 3.1Å; E745-R825 IonicContact OE2-NH2 2.7Å
746	G	50.6	Low	69.2	Low	56 Å²	56	50.6 Å²	50.6	58%	0.577	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	2.7	179.4	0	0	0	0	0	116	R744 T748	R744-G746 PolarHBondContact O-N 3.48Å; G746-T748 VanDerWaalsContact C-N 3.32Å; G746-T748 PolarHBondContact O-N 3.25Å
747	A	51.8	Low	69	Low	34 Å²	34	52.7 Å²	52.7	28%	0.281	31%	0.309	S	S	.	.			trans	-79	70.3	179.5	0	0	0	0	0	113.2	R744 E745 A749	R744-A747 HydrophobicContact CB-CB 4.2Å; R744-A747 VanDerWaalsContact O-CB 3.23Å; R744-A747 WeakPolarHBondContact O-CB 3.38Å; R744-A747 PolarHBondContact O-N 2.87Å; R744-A747 VanDerWaalsContact O-N 3.13Å; E745-A747 VanDerWaalsContact C-N 3.3Å; E745-A747 PolarHBondContact O-N 3.39Å; A747-A749 PolarHBondContact O-N 2.67Å; A747-A749 VanDerWaalsContact O-N 3.1Å
748	T	43.7	Very low	68.5	Low	149 Å²	149	53.2 Å²	53.2	91%	0.914	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-0.5	-178.6	43.2	0	0	0	0	116	G746	G746-T748 VanDerWaalsContact C-N 3.32Å; G746-T748 PolarHBondContact O-N 3.25Å
749	A	39.7	Very low	68	Low	100 Å²	100	55.2 Å²	55.2	83%	0.826	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	-8.4	-170.8	0	0	0	0	0	115.4	A747	A747-A749 PolarHBondContact O-N 2.67Å; A747-A749 VanDerWaalsContact O-N 3.1Å
750	S	52.8	Low	67.8	Low	84 Å²	84	55.1 Å²	55.1	59%	0.587	33%	0.326	S	S	*	.			trans	-158.9	90.4	-179.5	60.7	0	0	0	0	112.2
751	L	64.8	Low	67.6	Low	77 Å²	77	58.8 Å²	58.8	40%	0.403	34%	0.342	S	S	.	.			trans	-64.5	140.7	158.7	-64.3	177.5	0	0	0	108.7	A742 S753	A742-L751 HydrophobicContact CB-CD2 4.29Å; L751-S753 PolarHBondContact O-N 2.92Å
752	P	61.6	Low	67.9	Low	16 Å²	16	59.4 Å²	59.4	10%	0.104	34%	0.344	C	S	.	.			trans	-63.2	131.2	177	27.4	-34.9	0	0	0	110.4	W740 G741 L743 M754 Q756	W740-P752 WeakPolarHBondContact O-CD 3.44Å; G741-P752 WeakPolarHBondContact O-CD 3.42Å; G741-P752 VanDerWaalsContact O-CG 3.27Å; G741-P752 WeakPolarHBondContact O-CG 3.14Å; L743-P752 HydrophobicContact CD1-CB 4.24Å; L743-P752 HydrophobicContact CD2-CB 4.48Å; L743-P752 HydrophobicContact CD2-CG 4.28Å; L743-P752 HydrophobicContact CG-CB 4.24Å; L743-P752 HydrophobicContact CG-CG 4.18Å; P752-M754 VanDerWaalsContact C-N 3.26Å; P752-M754 PolarHBondContact O-N 2.8Å; P752-Q756 HydrophobicContact CB-CG 4.16Å; P752-Q756 HydrophobicContact CG-CG 3.84Å
753	S	74	Confident	68.6	Low	40 Å²	40	59.9 Å²	59.9	28%	0.28	35%	0.346	S	S	.	.	S	Bend	trans	-70.8	-26.2	175.3	60	0	0	0	0	112.3	N672 Q673 Y674 L751	N672-S753 CarbonylContact C-O 3.59Å; N672-S753 VanDerWaalsContact CA-O 3.26Å; N672-S753 WeakPolarHBondContact CA-O 3.37Å; Q673-S753 WeakPolarHBondContact CG-O 3.44Å; Q673-S753 PolarHBondContact N-O 2.69Å; Y674-S753 VanDerWaalsContact CE2-CB 3.45Å; L751-S753 PolarHBondContact O-N 2.92Å
754	M	80.1	Confident	69.4	Low	44 Å²	44	57.7 Å²	57.7	22%	0.217	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-92.8	141.9	177.3	-57.3	-60	-72.3	0	0	110.4	N612 Q671 N672 W740 P752 Q756	N612-M754 HydrophobicContact CB-CB 4.42Å; Q671-M754 HydrophobicContact CG-CE 4.2Å; Q671-M754 CarbonylContact O-C 3.56Å; Q671-M754 VanDerWaalsContact OE1-CE 3.28Å; N672-M754 HydrophobicContact CB-SD 3.73Å; W740-M754 VanDerWaalsContact CD1-C 3.47Å; P752-M754 VanDerWaalsContact C-N 3.26Å; P752-M754 PolarHBondContact O-N 2.8Å; M754-Q756 PolarHBondContact O-N 3.23Å; M754-Q756 PolarHBondContact O-NE2 3.13Å
755	L	84.8	Confident	70.3	Confident	5 Å²	5	51.1 Å²	51.1	3%	0.026	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-55	134.9	169.8	179.1	63.3	0	0	0	109.7	N612 A613 W618 Q621 Q671 W740	N612-L755 CarbonylContact C-O 3.46Å; N612-L755 WeakPolarHBondContact CA-O 3.2Å; A613-L755 HydrophobicContact CB-CB 4.38Å; A613-L755 HydrophobicContact CB-CD2 4.07Å; A613-L755 HydrophobicContact CB-CG 3.97Å; A613-L755 PolarHBondContact N-O 3.36Å; W618-L755 HydrophobicContact CB-CD2 4.29Å; Q621-L755 HydrophobicContact CB-CD2 4.46Å; Q621-L755 HydrophobicContact CG-CD1 3.84Å; Q621-L755 HydrophobicContact CG-CD2 4.19Å; Q671-L755 HydrophobicContact CG-CB 4.37Å; Q671-L755 PolarHBondContact O-N 3.37Å; W740-L755 HydrophobicContact CD2-CD1 3.92Å; W740-L755 HydrophobicContact CE3-CD1 3.97Å; W740-L755 HydrophobicContact CH2-CD1 3.87Å; W740-L755 HydrophobicContact CZ2-CB 3.91Å; W740-L755 HydrophobicContact CZ2-CD1 3.8Å; W740-L755 HydrophobicContact CZ2-CG 4.3Å; W740-L755 HydrophobicContact CZ3-CD1 3.96Å; W740-L755 VanDerWaalsContact NE1-N 3.12Å
756	Q	83.9	Confident	71.3	Confident	25 Å²	25	50.7 Å²	50.7	12%	0.117	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	148.7	174.3	-54.8	-59.3	-68.4	0	0	110.4	Q611 N612 T738 G739 L743 P752 M754	Q611-Q756 CarbonylContact O-C 3.59Å; Q611-Q756 WeakPolarHBondContact O-CA 3.09Å; N612-Q756 PolarHBondContact OD1-NE2 2.85Å; T738-Q756 WeakPolarHBondContact CA-O 3.03Å; G739-Q756 PolarHBondContact N-O 3.47Å; G739-Q756 PolarHBondContact O-N 2.98Å; L743-Q756 HydrophobicContact CD2-CG 3.79Å; P752-Q756 HydrophobicContact CB-CG 4.16Å; P752-Q756 HydrophobicContact CG-CG 3.84Å; M754-Q756 PolarHBondContact O-N 3.23Å; M754-Q756 PolarHBondContact O-NE2 3.13Å
757	E	85.2	Confident	72.5	Confident	55 Å²	55	49 Å²	49	26%	0.257	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	145	165.8	62.5	175.4	-170.7	0	0	111.5	G610 Q611 A613 W618 T738	G610-E757 WeakPolarHBondContact CA-O 3.41Å; Q611-E757 PolarHBondContact N-O 3.38Å; Q611-E757 VanDerWaalsContact N-O 3.14Å; Q611-E757 PolarHBondContact O-N 3.41Å; A613-E757 HydrophobicContact CB-CB 3.97Å; A613-E757 HydrophobicContact CB-CG 3.92Å; W618-E757 VanDerWaalsContact CE2-OE2 3.3Å; W618-E757 HydrophobicContact CZ2-CB 4.2Å; W618-E757 WeakPolarHBondContact CZ2-OE2 3.08Å; W618-E757 PolarHBondContact NE1-OE2 3.45Å; T738-E757 HydrophobicContact CG2-CB 3.9Å
758	A	81.3	Confident	73.7	Confident	15 Å²	15	47.4 Å²	47.4	12%	0.124	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	119.7	178	0	0	0	0	0	110.7	S736 V737 V791	S736-A758 CarbonylContact C-O 3.55Å; S736-A758 VanDerWaalsContact CA-O 3.23Å; S736-A758 WeakPolarHBondContact CA-O 3.48Å; V737-A758 PolarHBondContact N-O 2.78Å; V737-A758 PolarHBondContact O-N 3.07Å; A758-V791 HydrophobicContact CB-CG1 3.77Å
759	T	81.2	Confident	75.2	Confident	43 Å²	43	44.1 Å²	44.1	26%	0.264	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	131.4	169.4	-46.4	0	0	0	0	110.1	C735 F786	C735-T759 CarbonylContact O-C 3.31Å; C735-T759 WeakPolarHBondContact O-CA 3.5Å; C735-T759 WeakPolarHBondContact O-CG2 3.14Å; T759-F786 VanDerWaalsContact O-CE2 3.32Å; T759-F786 WeakPolarHBondContact O-CE2 3.41Å
760	V	84	Confident	76.7	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	165.8	-179.6	-70.3	0	0	0	0	109.8	C735 V737 S784 V791 L802	C735-V760 PolarHBondContact N-O 2.05Å; C735-V760 PolarHBondContact O-N 3.25Å; V737-V760 HydrophobicContact CG2-CG2 3.85Å; V760-S784 VanDerWaalsContact CG2-OG 3.25Å; V760-S784 WeakPolarHBondContact CG2-OG 3.36Å; V760-V791 HydrophobicContact CG1-CG1 4.41Å; V760-L802 HydrophobicContact CG2-CD1 3.53Å
761	K	82.4	Confident	77.4	Confident	78 Å²	78	43.4 Å²	43.4	34%	0.339	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	139.5	176.4	-75.7	-171.6	165.3	-129.7	0	112.3	G732 L733 I763 S784 G785 F786	G732-K761 WeakPolarHBondContact O-CD 3.31Å; G732-K761 WeakPolarHBondContact O-CE 3.42Å; G732-K761 PolarHBondContact O-NZ 3.49Å; L733-K761 VanDerWaalsContact O-CA 3.31Å; L733-K761 WeakPolarHBondContact O-CA 3.41Å; K761-I763 PolarHBondContact O-N 2.99Å; K761-S784 CarbonylContact O-C 3.53Å; K761-S784 VanDerWaalsContact O-CA 3.27Å; K761-S784 WeakPolarHBondContact O-CA 3.17Å; K761-S784 PolarHBondContact O-OG 3.36Å; K761-G785 PolarHBondContact O-N 3.39Å; K761-F786 HydrophobicContact CD-CE1 4.43Å; K761-F786 HydrophobicContact CG-CE1 4.31Å
762	I	83.4	Confident	77.5	Confident	15 Å²	15	40.1 Å²	40.1	8%	0.077	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	130.7	170.1	-58.2	-62.4	0	0	0	109.5	G732 L733 L782 L802	G732-I762 PolarHBondContact N-O 3.26Å; L733-I762 HydrophobicContact CB-CG1 4.23Å; L733-I762 PolarHBondContact O-N 3.38Å; L733-I762 VanDerWaalsContact O-N 3.09Å; I762-L782 HydrophobicContact CD1-CD1 4.14Å; I762-L802 HydrophobicContact CD1-CD2 3.87Å
763	I	81.5	Confident	77.1	Confident	17 Å²	17	44.4 Å²	44.4	9%	0.087	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	137.3	179.2	-62.9	168	0	0	0	108.6	K761 D765 V767 C768 C783 L787 P829	K761-I763 PolarHBondContact O-N 2.99Å; I763-D765 PolarHBondContact O-N 3.29Å; I763-V767 HydrophobicContact CG2-CB 4.2Å; I763-V767 HydrophobicContact CG2-CG1 4.22Å; I763-C768 HydrophobicContact CG2-CB 4.41Å; I763-C783 HydrophobicContact CB-CB 4.25Å; I763-C783 PolarHBondContact N-O 2.77Å; I763-L787 HydrophobicContact CD1-CD2 4.03Å; I763-L787 HydrophobicContact CD1-CG 4.26Å; I763-P829 HydrophobicContact CD1-CB 3.43Å; I763-P829 VanDerWaalsContact CD1-CB 3.43Å; I763-P829 HydrophobicContact CD1-CG 3.88Å
764	N	78.8	Confident	76	Confident	72 Å²	72	50.8 Å²	50.8	39%	0.385	27%	0.266	S	S	.	.			trans	-58.8	132.9	177.1	-176	-48.4	0	0	0	111	A731 T766 V767 C768	A731-N764 HydrophobicContact CB-CB 4.08Å; N764-T766 PolarHBondContact O-N 3.34Å; N764-T766 WeakPolarHBondContact OD1-CB 3.32Å; N764-T766 PolarHBondContact OD1-N 3.22Å; N764-T766 PolarHBondContact OD1-OG1 3.46Å; N764-V767 HydrophobicContact CB-CG2 4.21Å; N764-V767 WeakPolarHBondContact O-CB 3.39Å; N764-V767 PolarHBondContact O-N 2.78Å; N764-C768 PolarHBondContact O-N 2.96Å
765	D	76.1	Confident	74.8	Confident	61 Å²	61	52.6 Å²	52.6	33%	0.326	27%	0.274	S	S	.	.	H	α-helix	trans	-56.1	-34.6	-176.2	-66.3	-36.9	0	0	0	113.4	I763 C768 N769 R834	I763-D765 PolarHBondContact O-N 3.29Å; D765-C768 PolarHBondContact O-N 2.91Å; D765-N769 WeakPolarHBondContact O-CB 3.48Å; D765-N769 PolarHBondContact O-N 2.88Å; D765-N769 PolarHBondContact O-ND2 2.79Å; D765-R834 IonicContact OD1-CZ 3.61Å; D765-R834 IonicContact OD1-NH2 3.89Å; D765-R834 PolarHBondContact OD1-NH2 2.95Å; D765-R834 IonicContact OD2-CZ 3.69Å; D765-R834 IonicContact OD2-NH1 2.96Å; D765-R834 PolarHBondContact OD2-NH1 2.82Å; D765-R834 IonicContact OD2-NH2 2.89Å; D765-R834 PolarHBondContact OD2-NH2 3.47Å
766	T	75.5	Confident	73.8	Confident	78 Å²	78	61 Å²	61	48%	0.479	31%	0.313	S	S	.	.	H	α-helix	trans	-64.6	-40.8	175.4	61.1	0	0	0	0	112	N764 Q770	N764-T766 PolarHBondContact O-N 3.34Å; N764-T766 WeakPolarHBondContact OD1-CB 3.32Å; N764-T766 PolarHBondContact OD1-N 3.22Å; N764-T766 PolarHBondContact OD1-OG1 3.46Å; T766-Q770 VanDerWaalsContact O-CG 3.29Å; T766-Q770 WeakPolarHBondContact O-CG 3.4Å; T766-Q770 PolarHBondContact O-N 3.41Å
767	V	74.8	Confident	73.4	Confident	22 Å²	22	60.3 Å²	60.3	13%	0.133	31%	0.31	C	S	.	.	H	α-helix	trans	-71.8	-40.2	178.3	179.7	0	0	0	0	110.2	L499 I763 N764 N769 Q770 V771 L787	L499-V767 HydrophobicContact CD1-CG1 4.37Å; I763-V767 HydrophobicContact CG2-CB 4.2Å; I763-V767 HydrophobicContact CG2-CG1 4.22Å; N764-V767 HydrophobicContact CB-CG2 4.21Å; N764-V767 WeakPolarHBondContact O-CB 3.39Å; N764-V767 PolarHBondContact O-N 2.78Å; V767-N769 PolarHBondContact O-N 2.81Å; V767-Q770 PolarHBondContact O-N 3.44Å; V767-V771 HydrophobicContact CG1-CG2 4.15Å; V767-V771 WeakPolarHBondContact O-CB 3.21Å; V767-V771 VanDerWaalsContact O-CG2 3.22Å; V767-V771 WeakPolarHBondContact O-CG2 3Å; V767-V771 PolarHBondContact O-N 3.22Å; V767-L787 HydrophobicContact CG1-CD1 3.75Å
768	C	77.6	Confident	73.4	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63.5	-43.6	177.2	-164.9	0	0	0	0	112.2	I763 N764 D765 Q770 V771 I772 C783	I763-C768 HydrophobicContact CG2-CB 4.41Å; N764-C768 PolarHBondContact O-N 2.96Å; D765-C768 PolarHBondContact O-N 2.91Å; C768-Q770 PolarHBondContact O-N 3.05Å; C768-V771 PolarHBondContact O-N 2.88Å; C768-V771 VanDerWaalsContact O-N 3.12Å; C768-I772 PolarHBondContact O-N 3.04Å; C768-I772 VanDerWaalsContact SG-CD1 3.56Å; C768-C783 HydrophobicContact CB-CB 3.6Å; C768-C783 WeakPolarHBondContact CB-SG 3.41Å; C768-C783 WeakPolarHBondContact SG-CB 3.41Å; C768-C783 CovalentContact SG-SG 2.02Å; C768-C783 PolarHBondContact SG-SG 3.27Å
769	N	75.7	Confident	73.4	Confident	80 Å²	80	62.2 Å²	62.2	43%	0.428	33%	0.328	S	S	.	.	H	α-helix	trans	-62.6	-22.8	174.8	-83.3	-70.9	0	0	0	114.2	D765 V767 V777	D765-N769 WeakPolarHBondContact O-CB 3.48Å; D765-N769 PolarHBondContact O-N 2.88Å; D765-N769 PolarHBondContact O-ND2 2.79Å; V767-N769 PolarHBondContact O-N 2.81Å; N769-V777 PolarHBondContact OD1-O 3.05Å
770	Q	70.2	Confident	73.8	Confident	141 Å²	141	62.8 Å²	62.8	66%	0.659	33%	0.325	S	S	*	.	H	α-helix	trans	-85.8	-28	174	-71.1	170.6	18.2	0	0	113	T766 V767 C768	T766-Q770 VanDerWaalsContact O-CG 3.29Å; T766-Q770 WeakPolarHBondContact O-CG 3.4Å; T766-Q770 PolarHBondContact O-N 3.41Å; V767-Q770 PolarHBondContact O-N 3.44Å; C768-Q770 PolarHBondContact O-N 3.05Å
771	V	67.6	Low	74.1	Confident	27 Å²	27	63 Å²	63	16%	0.164	33%	0.326	C	S	.	.	H	α-helix	trans	-89.1	-40	-173.6	168.1	0	0	0	0	111.8	V767 C768 T773 L787 N827 K828	V767-V771 HydrophobicContact CG1-CG2 4.15Å; V767-V771 WeakPolarHBondContact O-CB 3.21Å; V767-V771 VanDerWaalsContact O-CG2 3.22Å; V767-V771 WeakPolarHBondContact O-CG2 3Å; V767-V771 PolarHBondContact O-N 3.22Å; C768-V771 PolarHBondContact O-N 2.88Å; C768-V771 VanDerWaalsContact O-N 3.12Å; V771-T773 PolarHBondContact O-N 2.62Å; V771-T773 PolarHBondContact O-OG1 2.7Å; V771-L787 HydrophobicContact CG1-CD2 4.02Å; V771-L787 HydrophobicContact CG2-CD2 4.16Å; V771-N827 HydrophobicContact CG1-CB 4.27Å; V771-N827 WeakPolarHBondContact CG1-O 3.4Å; V771-K828 PolarHBondContact O-NZ 3.32Å
772	I	67.9	Low	74.4	Confident	9 Å²	9	59.6 Å²	59.6	5%	0.046	31%	0.312	C	S	.	.			trans	-79.5	112	175.4	-65.4	-170.1	0	0	0	108.4	C768 Q775 V777 W819 V831	C768-I772 PolarHBondContact O-N 3.04Å; C768-I772 VanDerWaalsContact SG-CD1 3.56Å; I772-Q775 HydrophobicContact CG2-CB 4.39Å; I772-Q775 WeakPolarHBondContact CG2-O 3.2Å; I772-V777 HydrophobicContact CB-CG2 4.2Å; I772-V777 HydrophobicContact CD1-CG2 3.87Å; I772-V777 HydrophobicContact CG2-CG2 4.21Å; I772-W819 HydrophobicContact CD1-CH2 4.08Å; I772-W819 HydrophobicContact CG2-CH2 3.77Å; I772-W819 HydrophobicContact CG2-CZ3 4.44Å; I772-V831 HydrophobicContact CD1-CG2 3.3Å
773	T	52.1	Low	74.7	Confident	105 Å²	105	58.9 Å²	58.9	64%	0.644	31%	0.308	S	S	*	.			trans	-99	-14.2	-155.8	-21.5	0	0	0	0	113.6	V771 K828	V771-T773 PolarHBondContact O-N 2.62Å; V771-T773 PolarHBondContact O-OG1 2.7Å; T773-K828 PolarHBondContact OG1-NZ 2.86Å
774	E	52.9	Low	75	Confident	175 Å²	175	58.1 Å²	58.1	82%	0.818	30%	0.304	S	S	*	.	S	Bend	trans	-130	-3.8	-170.9	-59.2	-168.5	166.1	0	0	114.2
775	Q	54	Low	75	Confident	81 Å²	81	54.8 Å²	54.8	38%	0.379	29%	0.287	S	S	.	.	S	Bend	trans	-136.9	140.2	177	-63.7	-168	0.6	0	0	111.5	I772 V777 W819	I772-Q775 HydrophobicContact CG2-CB 4.39Å; I772-Q775 WeakPolarHBondContact CG2-O 3.2Å; Q775-V777 PolarHBondContact O-N 2.93Å; Q775-W819 HydrophobicContact CB-CH2 3.9Å; Q775-W819 HydrophobicContact CB-CZ2 4.34Å; Q775-W819 HydrophobicContact CG-CH2 4.42Å; Q775-W819 VanDerWaalsContact OE1-CH2 3.29Å
776	Q	64.4	Low	74.6	Confident	181 Å²	181	54.2 Å²	54.2	85%	0.846	28%	0.282	S	S	*	.			trans	-83.4	105.8	179.1	-69.1	-174.2	-38.9	0	0	110.5	T778	Q776-T778 PolarHBondContact O-N 3.1Å
777	V	75.4	Confident	74	Confident	11 Å²	11	52.6 Å²	52.6	7%	0.067	27%	0.27	C	S	.	.			trans	-63.6	122.1	174	-177.6	0	0	0	0	108.9	N769 I772 Q775 M781	N769-V777 PolarHBondContact OD1-O 3.05Å; I772-V777 HydrophobicContact CB-CG2 4.2Å; I772-V777 HydrophobicContact CD1-CG2 3.87Å; I772-V777 HydrophobicContact CG2-CG2 4.21Å; Q775-V777 PolarHBondContact O-N 2.93Å; V777-M781 HydrophobicContact CG1-CB 3.68Å; V777-M781 HydrophobicContact CG1-CG 4.49Å; V777-M781 HydrophobicContact CG1-SD 4.07Å
778	T	83.6	Confident	72.6	Confident	29 Å²	29	54.5 Å²	54.5	18%	0.178	28%	0.275	C	S	.	.			trans	-85.5	163.3	-176	78.8	0	0	0	0	111.4	D699 Q776 R780 M781	D699-T778 HydrophobicContact CB-CG2 4.22Å; D699-T778 PolarHBondContact OD1-OG1 3.05Å; Q776-T778 PolarHBondContact O-N 3.1Å; T778-R780 PolarHBondContact O-N 2.91Å; T778-R780 PolarHBondContact OG1-N 2.93Å; T778-M781 HydrophobicContact CG2-CE 4.14Å; T778-M781 HydrophobicContact CG2-SD 4.44Å; T778-M781 PolarHBondContact N-SD 3.08Å; T778-M781 WeakPolarHBondContact O-CB 3.21Å; T778-M781 PolarHBondContact O-N 3.45Å
779	S	83.3	Confident	71.7	Confident	81 Å²	81	55.3 Å²	55.3	57%	0.566	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-6.5	172.8	54.9	0	0	0	0	114.3
780	R	88.2	Confident	71.1	Confident	56 Å²	56	54.6 Å²	54.6	21%	0.211	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-1.2	171.8	-67.9	162.2	-66.2	-77.9	7	112.9	D699 Y700 T778 R834 M837 F838	D699-R780 IonicContact OD1-CZ 2.74Å; D699-R780 IonicContact OD1-NE 2.66Å; D699-R780 PolarHBondContact OD1-NE 2.99Å; D699-R780 IonicContact OD1-NH2 3.93Å; D699-R780 PolarHBondContact OD1-NH2 3.01Å; D699-R780 IonicContact OD2-CZ 3.23Å; D699-R780 IonicContact OD2-NE 2.84Å; D699-R780 PolarHBondContact OD2-NE 2.67Å; D699-R780 IonicContact OD2-NH2 2.78Å; D699-R780 PolarHBondContact OD2-NH2 2.7Å; Y700-R780 VanDerWaalsContact CE2-NE 3.29Å; T778-R780 PolarHBondContact O-N 2.91Å; T778-R780 PolarHBondContact OG1-N 2.93Å; R780-R834 WeakPolarHBondContact O-CB 3.41Å; R780-R834 PolarHBondContact O-N 3.14Å; R780-M837 HydrophobicContact CG-CB 4.39Å; R780-F838 HydrophobicContact CB-CE2 4Å; R780-F838 HydrophobicContact CB-CZ 3.79Å; R780-F838 HydrophobicContact CG-CE2 4.38Å; R780-F838 HydrophobicContact CG-CZ 3.84Å
781	M	90.1	Very high	70.9	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.015	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	165.5	174.6	-62.1	169.9	-176.7	0	0	110.2	T697 H698 D699 V777 T778 V831 Y832 R834	T697-M781 WeakPolarHBondContact O-CE 3.46Å; H698-M781 WeakPolarHBondContact O-CE 3.44Å; D699-M781 HydrophobicContact CB-CE 4.15Å; V777-M781 HydrophobicContact CG1-CB 3.68Å; V777-M781 HydrophobicContact CG1-CG 4.49Å; V777-M781 HydrophobicContact CG1-SD 4.07Å; T778-M781 HydrophobicContact CG2-CE 4.14Å; T778-M781 HydrophobicContact CG2-SD 4.44Å; T778-M781 PolarHBondContact N-SD 3.08Å; T778-M781 WeakPolarHBondContact O-CB 3.21Å; T778-M781 PolarHBondContact O-N 3.45Å; M781-V831 HydrophobicContact CB-CG1 3.96Å; M781-V831 HydrophobicContact CG-CG1 4.13Å; M781-V831 HydrophobicContact SD-CG1 3.92Å; M781-Y832 CarbonylContact C-O 3.59Å; M781-Y832 VanDerWaalsContact CA-O 3.28Å; M781-Y832 WeakPolarHBondContact CA-O 3.48Å; M781-R834 VanDerWaalsContact O-CZ 3.29Å; M781-R834 PolarHBondContact O-NE 2.92Å; M781-R834 PolarHBondContact O-NH2 2.79Å
782	L	90	Very high	71	Confident	8 Å²	8	49.8 Å²	49.8	4%	0.042	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	165.2	162.5	68	82	0	0	0	108.4	I762 L802 A814 Y832 R834	I762-L782 HydrophobicContact CD1-CD1 4.14Å; L782-L802 HydrophobicContact CD1-CD2 3.61Å; L782-A814 HydrophobicContact CD2-CB 4.47Å; L782-A814 WeakPolarHBondContact CD2-O 3.44Å; L782-Y832 HydrophobicContact CD1-CD2 4.11Å; L782-Y832 HydrophobicContact CD1-CG 4.2Å; L782-Y832 PolarHBondContact N-O 3.39Å; L782-Y832 PolarHBondContact O-N 3.42Å; L782-R834 HydrophobicContact CB-CB 4.48Å; L782-R834 HydrophobicContact CD2-CB 4.2Å; L782-R834 HydrophobicContact CD2-CG 4.17Å
783	C	88.5	Confident	71.3	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	141.5	178	-52.5	0	0	0	0	110.9	I763 C768 P829 G830	I763-C783 HydrophobicContact CB-CB 4.25Å; I763-C783 PolarHBondContact N-O 2.77Å; C768-C783 HydrophobicContact CB-CB 3.6Å; C768-C783 WeakPolarHBondContact CB-SG 3.41Å; C768-C783 WeakPolarHBondContact SG-CB 3.41Å; C768-C783 CovalentContact SG-SG 2.02Å; C768-C783 PolarHBondContact SG-SG 3.27Å; C783-P829 HydrophobicContact CB-CG 4.28Å; C783-G830 WeakPolarHBondContact CA-O 3.42Å
784	S	87.6	Confident	72.3	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	140.1	-178.3	-166.7	0	0	0	0	111.1	V760 K761 G830 Y832	V760-S784 VanDerWaalsContact CG2-OG 3.25Å; V760-S784 WeakPolarHBondContact CG2-OG 3.36Å; K761-S784 CarbonylContact O-C 3.53Å; K761-S784 VanDerWaalsContact O-CA 3.27Å; K761-S784 WeakPolarHBondContact O-CA 3.17Å; K761-S784 PolarHBondContact O-OG 3.36Å; S784-G830 PolarHBondContact N-O 2.84Å; S784-G830 VanDerWaalsContact N-O 3.16Å; S784-Y832 WeakPolarHBondContact O-CE2 3.09Å
785	G	78.6	Confident	73	Confident	3 Å²	3	41.9 Å²	41.9	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	144.4	-155.3	-177	0	0	0	0	0	112.2	K761	K761-G785 PolarHBondContact O-N 3.39Å
786	F	68.5	Low	73.6	Confident	49 Å²	49	38.6 Å²	38.6	22%	0.215	22%	0.22	C	C	.	.			trans	-124.3	125	176.3	-59	-84.9	0	0	0	110.8	W469 T759 K761 R788 G789 V791	W469-F786 HydrophobicContact CZ2-CD1 4.08Å; T759-F786 VanDerWaalsContact O-CE2 3.32Å; T759-F786 WeakPolarHBondContact O-CE2 3.41Å; K761-F786 HydrophobicContact CD-CE1 4.43Å; K761-F786 HydrophobicContact CG-CE1 4.31Å; F786-R788 PolarHBondContact O-N 3.48Å; F786-R788 VanDerWaalsContact O-N 3.09Å; F786-G789 WeakPolarHBondContact O-CA 3.43Å; F786-G789 PolarHBondContact O-N 3.2Å; F786-V791 HydrophobicContact CD2-CB 3.98Å; F786-V791 HydrophobicContact CE2-CB 4Å; F786-V791 HydrophobicContact CE2-CG1 4.28Å
787	L	62.5	Low	74.4	Confident	43 Å²	43	30.7 Å²	30.7	23%	0.225	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-16.4	179.4	-64.7	175.2	0	0	0	113.6	I763 V767 V771 G789 N827 P829	I763-L787 HydrophobicContact CD1-CD2 4.03Å; I763-L787 HydrophobicContact CD1-CG 4.26Å; V767-L787 HydrophobicContact CG1-CD1 3.75Å; V771-L787 HydrophobicContact CG1-CD2 4.02Å; V771-L787 HydrophobicContact CG2-CD2 4.16Å; L787-G789 VanDerWaalsContact C-N 3.29Å; L787-N827 PolarHBondContact O-N 2.83Å; L787-N827 PolarHBondContact O-OD1 2.85Å; L787-N827 VanDerWaalsContact O-OD1 3.09Å; L787-P829 HydrophobicContact CD2-CG 4.27Å
788	R	46.6	Very low	75	Confident	62 Å²	62	31.2 Å²	31.2	23%	0.234	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-11.7	170.5	-60.9	-161.6	-174.4	132.4	2.2	113.7	D467 G468 F786 R826	D467-R788 PolarHBondContact O-NE 3.03Å; D467-R788 PolarHBondContact O-NH1 3.23Å; D467-R788 PolarHBondContact O-NH2 2.95Å; D467-R788 VanDerWaalsContact OD1-CD 3.31Å; D467-R788 WeakPolarHBondContact OD1-CD 3.31Å; D467-R788 IonicContact OD1-CZ 2.84Å; D467-R788 IonicContact OD1-NE 3.17Å; D467-R788 IonicContact OD1-NH1 2.69Å; D467-R788 PolarHBondContact OD1-NH1 2.97Å; G468-R788 PolarHBondContact O-NH1 2.98Å; F786-R788 PolarHBondContact O-N 3.48Å; F786-R788 VanDerWaalsContact O-N 3.09Å; R788-R826 WeakPolarHBondContact O-CB 3.35Å
789	G	57.3	Low	75.2	Confident	18 Å²	18	29.9 Å²	29.9	19%	0.186	18%	0.18	C	C	.	.			trans	84.3	-174.2	-171.1	0	0	0	0	0	112.9	F786 L787 G824	F786-G789 WeakPolarHBondContact O-CA 3.43Å; F786-G789 PolarHBondContact O-N 3.2Å; L787-G789 VanDerWaalsContact C-N 3.29Å; G789-G824 CarbonylContact C-O 3.58Å; G789-G824 WeakPolarHBondContact CA-O 3.3Å
790	G	64.7	Low	75.6	Confident	64 Å²	64	26 Å²	26	66%	0.66	15%	0.153	S	C	*	.	S	Bend	trans	103.3	-39.1	170.6	0	0	0	0	0	116.4	G824	G790-G824 PolarHBondContact N-O 2.98Å
791	V	66	Low	75.9	Confident	38 Å²	38	23.3 Å²	23.3	23%	0.23	14%	0.143	C	C	.	.	S	Bend	trans	-134.3	122.3	178.4	-179.8	0	0	0	0	109	A758 V760 F786	A758-V791 HydrophobicContact CB-CG1 3.77Å; V760-V791 HydrophobicContact CG1-CG1 4.41Å; F786-V791 HydrophobicContact CD2-CB 3.98Å; F786-V791 HydrophobicContact CE2-CB 4Å; F786-V791 HydrophobicContact CE2-CG1 4.28Å
792	D	68.5	Low	76.2	Confident	29 Å²	29	23.2 Å²	23.2	16%	0.155	14%	0.142	C	C	.	.			trans	-169.1	170.2	-168.4	-163.9	13	0	0	0	110.1	G824 G830	D792-G824 VanDerWaalsContact CB-CA 3.46Å; D792-G824 VanDerWaalsContact CB-N 3.32Å; D792-G824 PolarHBondContact OD2-N 3.34Å; D792-G830 WeakPolarHBondContact OD1-CA 3.37Å; D792-G830 PolarHBondContact OD1-N 3.48Å; D792-G830 VanDerWaalsContact OD1-N 3.11Å
793	A	74.1	Confident	76.4	Confident	11 Å²	11	22.8 Å²	22.8	9%	0.091	14%	0.14	C	C	.	.			trans	-75.9	158.8	168.7	0	0	0	0	0	111.4	V737 D797 V817	V737-A793 HydrophobicContact CG1-CB 4.17Å; A793-D797 HydrophobicContact CB-CB 4.37Å; A793-V817 HydrophobicContact CB-CG1 3.86Å; A793-V817 HydrophobicContact CB-CG2 4.23Å
794	C	73.1	Confident	76.5	Confident	15 Å²	15	22.8 Å²	22.8	10%	0.101	14%	0.14	C	C	.	.			trans	-143.3	-178.4	177.4	-157.9	0	0	0	0	113.7	A742 G796 D797 C823	A742-C794 VanDerWaalsContact O-CB 3.22Å; A742-C794 WeakPolarHBondContact O-CB 3.29Å; A742-C794 PolarHBondContact O-SG 3.03Å; C794-G796 PolarHBondContact O-N 3.33Å; C794-G796 VanDerWaalsContact O-N 3.13Å; C794-D797 PolarHBondContact N-OD2 2.75Å; C794-D797 WeakPolarHBondContact O-CB 3.45Å; C794-D797 PolarHBondContact O-N 3.35Å; C794-C823 WeakPolarHBondContact CA-SG 3.44Å; C794-C823 HydrophobicContact CB-CB 3.68Å; C794-C823 WeakPolarHBondContact CB-SG 3.24Å; C794-C823 WeakPolarHBondContact SG-CB 3.49Å; C794-C823 CovalentContact SG-SG 2.04Å; C794-C823 PolarHBondContact SG-SG 3.01Å
795	Q	68.3	Low	76.4	Confident	97 Å²	97	26.8 Å²	26.8	45%	0.453	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	118	-176	-69.1	80.4	57.8	0	0	111.1	G741 A742 C823	G741-Q795 CarbonylContact C-O 3.56Å; G741-Q795 WeakPolarHBondContact CA-O 3.33Å; A742-Q795 PolarHBondContact N-O 3.49Å; Q795-C823 PolarHBondContact NE2-SG 3.13Å
796	G	67.3	Low	76.4	Confident	12 Å²	12	28.4 Å²	28.4	12%	0.124	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	112.8	-27.1	-174.4	0	0	0	0	0	113.4	H631 C794 S798	H631-G796 PolarHBondContact NE2-O 3.14Å; C794-G796 PolarHBondContact O-N 3.33Å; C794-G796 VanDerWaalsContact O-N 3.13Å; G796-S798 PolarHBondContact O-N 2.03Å
797	D	80.5	Confident	76.3	Confident	16 Å²	16	35.9 Å²	35.9	9%	0.086	20%	0.201	C	C	.	.			trans	-75.1	-10.4	175.2	-55.3	-51.6	0	0	0	112.7	G739 W740 G741 A793 C794 G799 G800 V817	G739-D797 VanDerWaalsContact C-OD1 3.24Å; G739-D797 WeakPolarHBondContact CA-OD1 3.43Å; W740-D797 PolarHBondContact N-OD1 3.21Å; G741-D797 VanDerWaalsContact CA-OD1 3.32Å; G741-D797 WeakPolarHBondContact CA-OD1 3.3Å; G741-D797 PolarHBondContact N-OD1 3Å; A793-D797 HydrophobicContact CB-CB 4.37Å; C794-D797 PolarHBondContact N-OD2 2.75Å; C794-D797 WeakPolarHBondContact O-CB 3.45Å; C794-D797 PolarHBondContact O-N 3.35Å; D797-G799 PolarHBondContact O-N 2.03Å; D797-G800 WeakPolarHBondContact O-CA 3.45Å; D797-G800 PolarHBondContact O-N 3.2Å; D797-V817 HydrophobicContact CB-CG1 4.34Å; D797-V817 WeakPolarHBondContact O-CB 3.15Å
798	S	87.1	Confident	76.5	Confident	22 Å²	22	36.8 Å²	36.8	15%	0.154	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-37.8	128.3	171.9	-72.8	0	0	0	0	113.4	C633 G634 H648 G796 G800	C633-S798 CarbonylContact C-O 3.49Å; C633-S798 WeakPolarHBondContact CA-O 3.41Å; C633-S798 VanDerWaalsContact CB-O 3.28Å; C633-S798 WeakPolarHBondContact CB-O 3.14Å; G634-S798 PolarHBondContact N-O 3.39Å; H648-S798 WeakPolarHBondContact NE2-CB 3.38Å; H648-S798 PolarHBondContact NE2-OG 3.36Å; G796-S798 PolarHBondContact O-N 2.03Å; S798-G800 PolarHBondContact O-N 3.13Å
799	G	88.2	Confident	77.8	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	-8.5	-177.2	0	0	0	0	0	115.2	G634 A635 D797 V817	G634-G799 CarbonylContact C-O 3.57Å; G634-G799 CarbonylContact O-C 3.47Å; G634-G799 VanDerWaalsContact O-C 3.22Å; G634-G799 WeakPolarHBondContact O-CA 3.34Å; A635-G799 WeakPolarHBondContact CA-O 3.39Å; D797-G799 PolarHBondContact O-N 2.03Å; G799-V817 PolarHBondContact N-O 3.22Å
800	G	91.9	Very high	79	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.21	C	C	.	.			trans	-65.5	155.9	171.3	0	0	0	0	0	112.7	D797 S798 I816 V817	D797-G800 WeakPolarHBondContact O-CA 3.45Å; D797-G800 PolarHBondContact O-N 3.2Å; S798-G800 PolarHBondContact O-N 3.13Å; G800-I816 CarbonylContact O-C 3.58Å; G800-I816 WeakPolarHBondContact O-CA 3.3Å; G800-V817 WeakPolarHBondContact O-CG2 3.01Å; G800-V817 PolarHBondContact O-N 3.19Å
801	P	95.5	Very high	80.2	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	144.9	179.2	31	-33.6	0	0	0	112.5	Q813	P801-Q813 HydrophobicContact CB-CG 4.09Å
802	L	95	Very high	81.5	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	107	152.3	176.7	72.6	0	0	0	107.5	C735 S736 V737 V760 I762 L782 A814 G815 Y832	C735-L802 HydrophobicContact CB-CD1 3.84Å; C735-L802 HydrophobicContact CB-CG 4.25Å; S736-L802 WeakPolarHBondContact O-CA 3.49Å; V737-L802 HydrophobicContact CG2-CD1 3.53Å; V760-L802 HydrophobicContact CG2-CD1 3.53Å; I762-L802 HydrophobicContact CD1-CD2 3.87Å; L782-L802 HydrophobicContact CD1-CD2 3.61Å; L802-A814 HydrophobicContact CD2-CB 4.45Å; L802-A814 PolarHBondContact O-N 2.82Å; L802-G815 PolarHBondContact N-O 3.27Å; L802-G815 PolarHBondContact O-N 2.9Å; L802-Y832 HydrophobicContact CB-CD1 3.76Å; L802-Y832 HydrophobicContact CB-CE1 4.05Å; L802-Y832 HydrophobicContact CD1-CE1 4.29Å; L802-Y832 HydrophobicContact CD2-CD1 4.14Å; L802-Y832 HydrophobicContact CD2-CD2 4.48Å; L802-Y832 HydrophobicContact CD2-CE1 4.49Å; L802-Y832 HydrophobicContact CD2-CG 4.15Å; L802-Y832 HydrophobicContact CG-CD1 4.41Å
803	S	94.6	Very high	82.8	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	124.4	-176.9	-55.9	0	0	0	0	110.6	W620 I720 C735 S736 F812	W620-S803 PolarHBondContact NE1-OG 2.97Å; I720-S803 WeakPolarHBondContact CD1-OG 3Å; C735-S803 CarbonylContact C-O 3.5Å; C735-S803 WeakPolarHBondContact CA-O 3.45Å; C735-S803 WeakPolarHBondContact CB-O 3.18Å; S736-S803 PolarHBondContact N-O 2.93Å; S736-S803 PolarHBondContact O-N 3.42Å; S803-F812 WeakPolarHBondContact CA-O 3.19Å
804	C	90.9	Very high	83.7	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	149.2	175.1	-58.9	0	0	0	0	110	F729 L733 C735 W811 F812 A814	F729-C804 HydrophobicContact CD1-CB 3.93Å; F729-C804 HydrophobicContact CE1-CB 3.95Å; L733-C804 HydrophobicContact CD2-CB 4.04Å; C735-C804 HydrophobicContact CB-CB 3.96Å; C735-C804 WeakPolarHBondContact CB-SG 3.32Å; C735-C804 WeakPolarHBondContact SG-CB 3.21Å; C735-C804 CovalentContact SG-SG 2.03Å; C735-C804 PolarHBondContact SG-SG 3.04Å; C804-W811 VanDerWaalsContact O-CA 3.31Å; C804-W811 WeakPolarHBondContact O-CA 3.33Å; C804-F812 PolarHBondContact N-O 2.72Å; C804-F812 PolarHBondContact O-N 3.27Å; C804-A814 WeakPolarHBondContact SG-CB 3.39Å
805	Q	86.2	Confident	84.8	Confident	84 Å²	84	30 Å²	30	39%	0.393	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	133.4	174.4	-160.5	174.3	21.6	0	0	110.4	G809 K810 W811	Q805-G809 PolarHBondContact NE2-O 2.86Å; Q805-K810 WeakPolarHBondContact CA-O 3.36Å; Q805-K810 WeakPolarHBondContact CG-O 3.45Å; Q805-W811 HydrophobicContact CB-CD2 3.92Å; Q805-W811 HydrophobicContact CB-CE3 4.01Å; Q805-W811 HydrophobicContact CB-CH2 3.7Å; Q805-W811 HydrophobicContact CB-CZ2 3.6Å; Q805-W811 HydrophobicContact CB-CZ3 3.92Å; Q805-W811 VanDerWaalsContact CD-CE2 3.42Å; Q805-W811 HydrophobicContact CG-CD2 4.08Å; Q805-W811 HydrophobicContact CG-CG 4.47Å; Q805-W811 HydrophobicContact CG-CH2 4.36Å; Q805-W811 HydrophobicContact CG-CZ2 3.73Å; Q805-W811 VanDerWaalsContact NE2-NE1 3.17Å
806	E	77.2	Confident	86.1	Confident	37 Å²	37	25.4 Å²	25.4	17%	0.173	13%	0.134	C	C	.	.			trans	-93.7	167.4	172.6	-61.3	-65.7	157.4	0	0	110.7	N577 H727 F729 N808 G809 K810 F812	N577-E806 PolarHBondContact ND2-OE2 3.12Å; H727-E806 IonicContact CD2-OE1 2.78Å; H727-E806 IonicContact CE1-OE1 3.62Å; H727-E806 IonicContact NE2-OE1 3.04Å; H727-E806 PolarHBondContact NE2-OE1 3.44Å; F729-E806 WeakPolarHBondContact CE1-OE1 3.28Å; E806-N808 WeakPolarHBondContact CB-OD1 3.04Å; E806-N808 PolarHBondContact O-N 2.58Å; E806-G809 WeakPolarHBondContact O-CA 3.04Å; E806-G809 PolarHBondContact O-N 2.81Å; E806-K810 PolarHBondContact N-O 3.32Å; E806-F812 HydrophobicContact CB-CE2 4.49Å; E806-F812 HydrophobicContact CG-CD2 3.62Å; E806-F812 HydrophobicContact CG-CE2 3.81Å
807	E	67.6	Low	87.4	Confident	206 Å²	206	25.3 Å²	25.3	96%	0.963	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-26.5	-173.3	-60.6	-165.9	158.9	0	0	113.9	G809	E807-G809 PolarHBondContact O-N 2.8Å
808	N	65.9	Low	87.8	Confident	61 Å²	61	24.9 Å²	24.9	33%	0.326	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-8.7	170.5	65.9	2.4	0	0	0	113.9	C580 E806 K810	C580-N808 PolarHBondContact O-ND2 2.04Å; E806-N808 WeakPolarHBondContact CB-OD1 3.04Å; E806-N808 PolarHBondContact O-N 2.58Å; N808-K810 WeakPolarHBondContact OD1-CB 3.31Å; N808-K810 PolarHBondContact OD1-N 3.26Å
809	G	72.9	Confident	87.7	Confident	33 Å²	33	25.6 Å²	25.6	34%	0.34	13%	0.129	S	C	.	.	S	Bend	trans	87.9	-3.1	-178.5	0	0	0	0	0	115.8	Q805 E806 E807	Q805-G809 PolarHBondContact NE2-O 2.86Å; E806-G809 WeakPolarHBondContact O-CA 3.04Å; E806-G809 PolarHBondContact O-N 2.81Å; E807-G809 PolarHBondContact O-N 2.8Å
810	K	83.3	Confident	87.3	Confident	35 Å²	35	27.1 Å²	27.1	15%	0.152	14%	0.144	C	C	.	.			trans	-76.7	155.4	176.8	-74.9	-177.4	177.7	161.4	0	112.4	C580 C595 Q805 E806 N808 F812	C580-K810 HydrophobicContact CB-CD 4.14Å; C580-K810 PolarHBondContact O-NZ 3.19Å; C580-K810 VanDerWaalsContact O-NZ 3.13Å; C595-K810 PolarHBondContact O-NZ 2.89Å; Q805-K810 WeakPolarHBondContact CA-O 3.36Å; Q805-K810 WeakPolarHBondContact CG-O 3.45Å; E806-K810 PolarHBondContact N-O 3.32Å; N808-K810 WeakPolarHBondContact OD1-CB 3.31Å; N808-K810 PolarHBondContact OD1-N 3.26Å; K810-F812 HydrophobicContact CB-CE2 4.12Å
811	W	90.7	Very high	86.4	Confident	24 Å²	24	29.8 Å²	29.8	9%	0.091	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	120.3	179.1	-66.3	78.8	0	0	0	111.8	G598 R600 W618 W620 I720 C721 C804 Q805	G598-W811 WeakPolarHBondContact CA-O 3.23Å; G598-W811 WeakPolarHBondContact O-CB 3.3Å; G598-W811 PolarHBondContact O-N 3.28Å; R600-W811 VanDerWaalsContact NE-CE2 3.3Å; W618-W811 HydrophobicContact CH2-CE3 4.5Å; W618-W811 HydrophobicContact CH2-CH2 4.44Å; W618-W811 HydrophobicContact CH2-CZ3 4.05Å; W618-W811 HydrophobicContact CZ3-CE3 4.29Å; W618-W811 HydrophobicContact CZ3-CZ3 4.29Å; W620-W811 HydrophobicContact CH2-CB 3.4Å; W620-W811 VanDerWaalsContact CH2-CB 3.4Å; W620-W811 AromaticContact CH2-CD1 3.92Å; W620-W811 HydrophobicContact CH2-CD2 4.24Å; W620-W811 AromaticContact CH2-CG 3.53Å; W620-W811 HydrophobicContact CH2-CG 3.53Å; W620-W811 HydrophobicContact CZ2-CB 3.82Å; W620-W811 HydrophobicContact CZ2-CD2 4.37Å; W620-W811 HydrophobicContact CZ2-CG 4.02Å; W620-W811 HydrophobicContact CZ3-CB 4.14Å; I720-W811 WeakPolarHBondContact CG1-O 3.08Å; C721-W811 PolarHBondContact N-O 3.41Å; C804-W811 VanDerWaalsContact O-CA 3.31Å; C804-W811 WeakPolarHBondContact O-CA 3.33Å; Q805-W811 HydrophobicContact CB-CD2 3.92Å; Q805-W811 HydrophobicContact CB-CE3 4.01Å; Q805-W811 HydrophobicContact CB-CH2 3.7Å; Q805-W811 HydrophobicContact CB-CZ2 3.6Å; Q805-W811 HydrophobicContact CB-CZ3 3.92Å; Q805-W811 VanDerWaalsContact CD-CE2 3.42Å; Q805-W811 HydrophobicContact CG-CD2 4.08Å; Q805-W811 HydrophobicContact CG-CG 4.47Å; Q805-W811 HydrophobicContact CG-CH2 4.36Å; Q805-W811 HydrophobicContact CG-CZ2 3.73Å; Q805-W811 VanDerWaalsContact NE2-NE1 3.17Å
812	F	93.1	Very high	84.9	Confident	3 Å²	3	30.6 Å²	30.6	1%	0.013	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	145.4	175.9	-71.9	-99.8	0	0	0	110.7	C580 C721 P723 F729 S803 C804 E806 K810 A814	C580-F812 HydrophobicContact CB-CZ 4.25Å; C721-F812 HydrophobicContact CB-CD1 3.49Å; C721-F812 VanDerWaalsContact CB-CD1 3.49Å; C721-F812 HydrophobicContact CB-CD2 4.41Å; C721-F812 HydrophobicContact CB-CE1 3.65Å; C721-F812 HydrophobicContact CB-CG 3.91Å; C721-F812 HydrophobicContact CB-CZ 4.19Å; C721-F812 WeakPolarHBondContact O-CA 3.44Å; P723-F812 HydrophobicContact CB-CD1 3.99Å; F729-F812 HydrophobicContact CE1-CB 4.1Å; F729-F812 HydrophobicContact CZ-CB 3.96Å; S803-F812 WeakPolarHBondContact CA-O 3.19Å; C804-F812 PolarHBondContact N-O 2.72Å; C804-F812 PolarHBondContact O-N 3.27Å; E806-F812 HydrophobicContact CB-CE2 4.49Å; E806-F812 HydrophobicContact CG-CD2 3.62Å; E806-F812 HydrophobicContact CG-CE2 3.81Å; K810-F812 HydrophobicContact CB-CE2 4.12Å; F812-A814 PolarHBondContact O-N 3.47Å
813	Q	95.3	Very high	83.5	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	98.1	173.8	-165.4	173.2	-9.9	0	0	110.5	S636 I720 C721 P723 P801 G815 V835	S636-Q813 VanDerWaalsContact OG-CD 3.3Å; S636-Q813 PolarHBondContact OG-NE2 2.78Å; S636-Q813 PolarHBondContact OG-OE1 2.75Å; I720-Q813 HydrophobicContact CD1-CB 3.79Å; I720-Q813 HydrophobicContact CD1-CG 4.43Å; I720-Q813 HydrophobicContact CG1-CB 4.13Å; I720-Q813 HydrophobicContact CG2-CB 4Å; C721-Q813 PolarHBondContact O-N 2.98Å; P723-Q813 VanDerWaalsContact CD-O 3.29Å; P723-Q813 WeakPolarHBondContact CD-O 3.06Å; P723-Q813 WeakPolarHBondContact CG-O 3.33Å; P801-Q813 HydrophobicContact CB-CG 4.09Å; Q813-G815 VanDerWaalsContact CG-O 3.25Å; Q813-G815 WeakPolarHBondContact CG-O 3.32Å; Q813-G815 PolarHBondContact NE2-O 3.14Å; Q813-V835 HydrophobicContact CG-CG2 4.18Å; Q813-V835 WeakPolarHBondContact O-CB 3.03Å
814	A	93.8	Very high	81.9	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	-35.1	174.8	0	0	0	0	0	112.2	F729 L782 L802 C804 F812 V835	F729-A814 HydrophobicContact CD1-CB 4.02Å; F729-A814 HydrophobicContact CD2-CB 3.53Å; F729-A814 HydrophobicContact CE1-CB 4.01Å; F729-A814 HydrophobicContact CE2-CB 3.54Å; F729-A814 HydrophobicContact CG-CB 3.78Å; F729-A814 HydrophobicContact CZ-CB 3.78Å; L782-A814 HydrophobicContact CD2-CB 4.47Å; L782-A814 WeakPolarHBondContact CD2-O 3.44Å; L802-A814 HydrophobicContact CD2-CB 4.45Å; L802-A814 PolarHBondContact O-N 2.82Å; C804-A814 WeakPolarHBondContact SG-CB 3.39Å; F812-A814 PolarHBondContact O-N 3.47Å; A814-V835 PolarHBondContact O-N 2.88Å; A814-V835 VanDerWaalsContact O-N 3.09Å
815	G	94.7	Very high	80.6	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	174.1	-172.7	0	0	0	0	0	116.1	L802 Q813 T833	L802-G815 PolarHBondContact N-O 3.27Å; L802-G815 PolarHBondContact O-N 2.9Å; Q813-G815 VanDerWaalsContact CG-O 3.25Å; Q813-G815 WeakPolarHBondContact CG-O 3.32Å; Q813-G815 PolarHBondContact NE2-O 3.14Å; G815-T833 WeakPolarHBondContact CA-O 3.39Å
816	I	96.2	Very high	79.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	132	172.6	-55.4	166.4	0	0	0	107.3	L644 A646 I702 G800 S818 Y832 T833 V835	L644-I816 HydrophobicContact CD1-CD1 4.4Å; L644-I816 HydrophobicContact CD2-CD1 3.96Å; L644-I816 HydrophobicContact CD2-CG1 4.44Å; L644-I816 HydrophobicContact CG-CD1 3.84Å; A646-I816 HydrophobicContact CB-CG2 4.12Å; I702-I816 HydrophobicContact CB-CD1 4.3Å; I702-I816 HydrophobicContact CD1-CD1 3.79Å; I702-I816 HydrophobicContact CG1-CD1 3.58Å; G800-I816 CarbonylContact O-C 3.58Å; G800-I816 WeakPolarHBondContact O-CA 3.3Å; I816-S818 PolarHBondContact O-N 2.73Å; I816-Y832 CarbonylContact O-C 3.6Å; I816-Y832 WeakPolarHBondContact O-CA 3.33Å; I816-Y832 WeakPolarHBondContact O-CB 3.4Å; I816-T833 PolarHBondContact N-O 2.93Å; I816-T833 PolarHBondContact O-N 3.43Å; I816-V835 HydrophobicContact CD1-CG2 4.3Å; I816-V835 HydrophobicContact CG1-CG2 3.99Å
817	V	93.9	Very high	79.2	Confident	10 Å²	10	44.6 Å²	44.6	6%	0.061	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	117.2	176.8	178.5	0	0	0	0	109.5	V737 A793 D797 G799 G800 Y832	V737-V817 HydrophobicContact CG1-CG2 3.65Å; A793-V817 HydrophobicContact CB-CG1 3.86Å; A793-V817 HydrophobicContact CB-CG2 4.23Å; D797-V817 HydrophobicContact CB-CG1 4.34Å; D797-V817 WeakPolarHBondContact O-CB 3.15Å; G799-V817 PolarHBondContact N-O 3.22Å; G800-V817 WeakPolarHBondContact O-CG2 3.01Å; G800-V817 PolarHBondContact O-N 3.19Å; V817-Y832 HydrophobicContact CB-CE1 4.44Å; V817-Y832 HydrophobicContact CG2-CD1 4.13Å; V817-Y832 HydrophobicContact CG2-CE1 3.74Å
818	S	90.2	Very high	79.6	Confident	7 Å²	7	36.4 Å²	36.4	5%	0.049	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-69.6	-176	-177.7	0	0	0	0	111.8	H648 D701 I816 V831	H648-S818 PolarHBondContact CE1-O 2.84Å; D701-S818 VanDerWaalsContact OD2-CB 3.3Å; D701-S818 WeakPolarHBondContact OD2-CB 3.1Å; D701-S818 PolarHBondContact OD2-OG 2.97Å; I816-S818 PolarHBondContact O-N 2.73Å; S818-V831 WeakPolarHBondContact CB-O 3.19Å; S818-V831 PolarHBondContact N-O 3.25Å; S818-V831 VanDerWaalsContact N-O 3.16Å
819	W	85.5	Confident	80.4	Confident	37 Å²	37	33.6 Å²	33.6	14%	0.14	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	170.3	-176.6	65.6	-89.2	0	0	0	113.5	H698 I772 Q775 V831	H698-W819 VanDerWaalsContact CB-CD1 3.45Å; H698-W819 HydrophobicContact CB-CG 4.27Å; H698-W819 AromaticContact CD2-CD1 3.86Å; H698-W819 AromaticContact CD2-CG 3.85Å; H698-W819 AromaticContact CG-CD1 3.92Å; I772-W819 HydrophobicContact CD1-CH2 4.08Å; I772-W819 HydrophobicContact CG2-CH2 3.77Å; I772-W819 HydrophobicContact CG2-CZ3 4.44Å; Q775-W819 HydrophobicContact CB-CH2 3.9Å; Q775-W819 HydrophobicContact CB-CZ2 4.34Å; Q775-W819 HydrophobicContact CG-CH2 4.42Å; Q775-W819 VanDerWaalsContact OE1-CH2 3.29Å; W819-V831 HydrophobicContact CD2-CB 4.01Å; W819-V831 HydrophobicContact CD2-CG2 4.13Å; W819-V831 HydrophobicContact CE3-CG2 4.28Å; W819-V831 HydrophobicContact CG-CB 4.28Å; W819-V831 HydrophobicContact CH2-CG2 3.98Å; W819-V831 HydrophobicContact CZ2-CB 4.15Å; W819-V831 HydrophobicContact CZ2-CG1 4.08Å; W819-V831 HydrophobicContact CZ2-CG2 3.8Å; W819-V831 HydrophobicContact CZ3-CG2 4.21Å; W819-V831 PolarHBondContact N-O 2.96Å; W819-V831 VanDerWaalsContact N-O 3.17Å; W819-V831 PolarHBondContact O-N 2.86Å
820	G	79.9	Confident	81	Confident	32 Å²	32	32.2 Å²	32.2	33%	0.33	16%	0.161	S	C	.	.			trans	-170.1	154.1	176.6	0	0	0	0	0	113.2	G822	G820-G822 VanDerWaalsContact C-N 3.29Å; G820-G822 PolarHBondContact O-N 3.26Å
821	E	71.9	Confident	81.4	Confident	57 Å²	57	30.6 Å²	30.6	27%	0.266	15%	0.154	S	C	.	.	S	Bend	trans	-82.3	65.3	179.7	-75.2	-174	-122.4	0	0	112.5	R825 K828	E821-R825 VanDerWaalsContact O-CD 3.27Å; E821-R825 WeakPolarHBondContact O-CD 3.25Å; E821-R825 PolarHBondContact O-NE 2.97Å; E821-R825 PolarHBondContact O-NH1 3.3Å; E821-R825 VanDerWaalsContact O-NH1 3.14Å; E821-K828 HydrophobicContact CB-CB 4.18Å; E821-K828 HydrophobicContact CB-CD 3.83Å; E821-K828 HydrophobicContact CB-CG 4Å; E821-K828 VanDerWaalsContact CD-CD 3.46Å; E821-K828 VanDerWaalsContact CD-CE 3.49Å; E821-K828 HydrophobicContact CG-CD 4.19Å; E821-K828 WeakPolarHBondContact OE1-CD 3.42Å; E821-K828 WeakPolarHBondContact OE1-CE 3.45Å; E821-K828 IonicContact OE1-NZ 2.8Å; E821-K828 PolarHBondContact OE1-NZ 2.85Å; E821-K828 WeakPolarHBondContact OE2-CD 3.1Å; E821-K828 WeakPolarHBondContact OE2-CE 3.07Å; E821-K828 IonicContact OE2-NZ 3.5Å; E821-K828 PolarHBondContact OE2-NZ 3.26Å
822	G	63.6	Low	81.5	Confident	17 Å²	17	29.5 Å²	29.5	18%	0.175	15%	0.149	C	C	.	.	S	Bend	trans	98.6	-157	-169.7	0	0	0	0	0	111	E745 G820	E745-G822 WeakPolarHBondContact OE2-CA 3.37Å; G820-G822 VanDerWaalsContact C-N 3.29Å; G820-G822 PolarHBondContact O-N 3.26Å
823	C	65.7	Low	81.6	Confident	24 Å²	24	29.5 Å²	29.5	16%	0.162	15%	0.149	C	C	.	.	S	Bend	trans	-131	117.1	176.1	-50.5	0	0	0	0	110.5	E745 C794 Q795 R825	E745-C823 HydrophobicContact CB-CB 4.25Å; E745-C823 PolarHBondContact OE2-N 3.07Å; C794-C823 WeakPolarHBondContact CA-SG 3.44Å; C794-C823 HydrophobicContact CB-CB 3.68Å; C794-C823 WeakPolarHBondContact CB-SG 3.24Å; C794-C823 WeakPolarHBondContact SG-CB 3.49Å; C794-C823 CovalentContact SG-SG 2.04Å; C794-C823 PolarHBondContact SG-SG 3.01Å; Q795-C823 PolarHBondContact NE2-SG 3.13Å; C823-R825 VanDerWaalsContact C-N 3.26Å; C823-R825 PolarHBondContact O-N 3.42Å
824	G	60.9	Low	81.5	Confident	18 Å²	18	32.1 Å²	32.1	19%	0.186	16%	0.159	C	C	.	.	S	Bend	trans	63.7	29.1	174.5	0	0	0	0	0	114.1	G789 G790 D792	G789-G824 CarbonylContact C-O 3.58Å; G789-G824 WeakPolarHBondContact CA-O 3.3Å; G790-G824 PolarHBondContact N-O 2.98Å; D792-G824 VanDerWaalsContact CB-CA 3.46Å; D792-G824 VanDerWaalsContact CB-N 3.32Å; D792-G824 PolarHBondContact OD2-N 3.34Å
825	R	64.9	Low	81.5	Confident	117 Å²	117	32.1 Å²	32.1	44%	0.442	16%	0.159	S	C	.	.			trans	-76.2	149	175.6	-63.8	-172.1	-174.5	167.2	-10.8	110.8	E745 E821 C823 N827 K828	E745-R825 IonicContact OE1-CZ 3.15Å; E745-R825 IonicContact OE1-NE 3.45Å; E745-R825 PolarHBondContact OE1-NE 3.44Å; E745-R825 IonicContact OE1-NH2 2.75Å; E745-R825 PolarHBondContact OE1-NH2 2.82Å; E745-R825 IonicContact OE2-CZ 3.87Å; E745-R825 IonicContact OE2-NE 3.5Å; E745-R825 PolarHBondContact OE2-NE 3.1Å; E745-R825 IonicContact OE2-NH2 2.7Å; E821-R825 VanDerWaalsContact O-CD 3.27Å; E821-R825 WeakPolarHBondContact O-CD 3.25Å; E821-R825 PolarHBondContact O-NE 2.97Å; E821-R825 PolarHBondContact O-NH1 3.3Å; E821-R825 VanDerWaalsContact O-NH1 3.14Å; C823-R825 VanDerWaalsContact C-N 3.26Å; C823-R825 PolarHBondContact O-N 3.42Å; R825-N827 PolarHBondContact O-N 3.31Å; R825-K828 HydrophobicContact CB-CB 4.14Å; R825-K828 HydrophobicContact CB-CG 4.44Å; R825-K828 PolarHBondContact O-N 3.42Å
826	R	65.6	Low	81.3	Confident	170 Å²	170	32.6 Å²	32.6	64%	0.642	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	135.6	174.1	-178.8	168.8	174.4	178.8	-3.7	110.2	R788 K828	R788-R826 WeakPolarHBondContact O-CB 3.35Å; R826-K828 PolarHBondContact O-N 2.79Å
827	N	67.1	Low	81.1	Confident	85 Å²	85	37.5 Å²	37.5	46%	0.455	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	33.2	-175.2	-59.8	2.7	0	0	0	113.7	V771 L787 R825	V771-N827 HydrophobicContact CG1-CB 4.27Å; V771-N827 WeakPolarHBondContact CG1-O 3.4Å; L787-N827 PolarHBondContact O-N 2.83Å; L787-N827 PolarHBondContact O-OD1 2.85Å; L787-N827 VanDerWaalsContact O-OD1 3.09Å; R825-N827 PolarHBondContact O-N 3.31Å
828	K	76.9	Confident	81.1	Confident	34 Å²	34	37.3 Å²	37.3	15%	0.148	19%	0.185	C	C	.	.			trans	-143.2	92.7	170.8	-62.9	-62.2	175.4	175.8	0	110	V771 T773 E821 R825 R826	V771-K828 PolarHBondContact O-NZ 3.32Å; T773-K828 PolarHBondContact OG1-NZ 2.86Å; E821-K828 HydrophobicContact CB-CB 4.18Å; E821-K828 HydrophobicContact CB-CD 3.83Å; E821-K828 HydrophobicContact CB-CG 4Å; E821-K828 VanDerWaalsContact CD-CD 3.46Å; E821-K828 VanDerWaalsContact CD-CE 3.49Å; E821-K828 HydrophobicContact CG-CD 4.19Å; E821-K828 WeakPolarHBondContact OE1-CD 3.42Å; E821-K828 WeakPolarHBondContact OE1-CE 3.45Å; E821-K828 IonicContact OE1-NZ 2.8Å; E821-K828 PolarHBondContact OE1-NZ 2.85Å; E821-K828 WeakPolarHBondContact OE2-CD 3.1Å; E821-K828 WeakPolarHBondContact OE2-CE 3.07Å; E821-K828 IonicContact OE2-NZ 3.5Å; E821-K828 PolarHBondContact OE2-NZ 3.26Å; R825-K828 HydrophobicContact CB-CB 4.14Å; R825-K828 HydrophobicContact CB-CG 4.44Å; R825-K828 PolarHBondContact O-N 3.42Å; R826-K828 PolarHBondContact O-N 2.79Å
829	P	81.8	Confident	81.1	Confident	3 Å²	3	38.1 Å²	38.1	2%	0.019	19%	0.187	C	C	.	.			trans	-80.9	157.9	175.7	34.4	-34.4	0	0	0	111.6	I763 C783 L787	I763-P829 HydrophobicContact CD1-CB 3.43Å; I763-P829 VanDerWaalsContact CD1-CB 3.43Å; I763-P829 HydrophobicContact CD1-CG 3.88Å; C783-P829 HydrophobicContact CB-CG 4.28Å; L787-P829 HydrophobicContact CD2-CG 4.27Å
830	G	86.3	Confident	81.3	Confident	4 Å²	4	42.3 Å²	42.3	4%	0.041	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	146.4	165.2	0	0	0	0	0	112.7	C783 S784 D792 Y832	C783-G830 WeakPolarHBondContact CA-O 3.42Å; S784-G830 PolarHBondContact N-O 2.84Å; S784-G830 VanDerWaalsContact N-O 3.16Å; D792-G830 WeakPolarHBondContact OD1-CA 3.37Å; D792-G830 PolarHBondContact OD1-N 3.48Å; D792-G830 VanDerWaalsContact OD1-N 3.11Å; G830-Y832 VanDerWaalsContact C-CE2 3.41Å; G830-Y832 WeakPolarHBondContact O-CD2 3.27Å; G830-Y832 WeakPolarHBondContact O-CE2 3.28Å
831	V	90.6	Very high	82	Confident	1 Å²	1	42 Å²	42	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	135.2	176.5	-174	0	0	0	0	109.3	I772 M781 S818 W819	I772-V831 HydrophobicContact CD1-CG2 3.3Å; M781-V831 HydrophobicContact CB-CG1 3.96Å; M781-V831 HydrophobicContact CG-CG1 4.13Å; M781-V831 HydrophobicContact SD-CG1 3.92Å; S818-V831 WeakPolarHBondContact CB-O 3.19Å; S818-V831 PolarHBondContact N-O 3.25Å; S818-V831 VanDerWaalsContact N-O 3.16Å; W819-V831 HydrophobicContact CD2-CB 4.01Å; W819-V831 HydrophobicContact CD2-CG2 4.13Å; W819-V831 HydrophobicContact CE3-CG2 4.28Å; W819-V831 HydrophobicContact CG-CB 4.28Å; W819-V831 HydrophobicContact CH2-CG2 3.98Å; W819-V831 HydrophobicContact CZ2-CB 4.15Å; W819-V831 HydrophobicContact CZ2-CG1 4.08Å; W819-V831 HydrophobicContact CZ2-CG2 3.8Å; W819-V831 HydrophobicContact CZ3-CG2 4.21Å; W819-V831 PolarHBondContact N-O 2.96Å; W819-V831 VanDerWaalsContact N-O 3.17Å; W819-V831 PolarHBondContact O-N 2.86Å
832	Y	93.8	Very high	83.1	Confident	1 Å²	1	39.3 Å²	39.3	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	142.8	-170.8	-56.3	-105.7	0	0	0	110.1	V737 M781 L782 S784 L802 I816 V817 G830 R834	V737-Y832 HydrophobicContact CG2-CE1 3.66Å; M781-Y832 CarbonylContact C-O 3.59Å; M781-Y832 VanDerWaalsContact CA-O 3.28Å; M781-Y832 WeakPolarHBondContact CA-O 3.48Å; L782-Y832 HydrophobicContact CD1-CD2 4.11Å; L782-Y832 HydrophobicContact CD1-CG 4.2Å; L782-Y832 PolarHBondContact N-O 3.39Å; L782-Y832 PolarHBondContact O-N 3.42Å; S784-Y832 WeakPolarHBondContact O-CE2 3.09Å; L802-Y832 HydrophobicContact CB-CD1 3.76Å; L802-Y832 HydrophobicContact CB-CE1 4.05Å; L802-Y832 HydrophobicContact CD1-CE1 4.29Å; L802-Y832 HydrophobicContact CD2-CD1 4.14Å; L802-Y832 HydrophobicContact CD2-CD2 4.48Å; L802-Y832 HydrophobicContact CD2-CE1 4.49Å; L802-Y832 HydrophobicContact CD2-CG 4.15Å; L802-Y832 HydrophobicContact CG-CD1 4.41Å; I816-Y832 CarbonylContact O-C 3.6Å; I816-Y832 WeakPolarHBondContact O-CA 3.33Å; I816-Y832 WeakPolarHBondContact O-CB 3.4Å; V817-Y832 HydrophobicContact CB-CE1 4.44Å; V817-Y832 HydrophobicContact CG2-CD1 4.13Å; V817-Y832 HydrophobicContact CG2-CE1 3.74Å; G830-Y832 VanDerWaalsContact C-CE2 3.41Å; G830-Y832 WeakPolarHBondContact O-CD2 3.27Å; G830-Y832 WeakPolarHBondContact O-CE2 3.28Å; Y832-R834 PolarHBondContact O-N 2.95Å
833	T	94.7	Very high	84.4	Confident	2 Å²	2	43.3 Å²	43.3	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	122.6	173.7	-51.2	0	0	0	0	109.6	D701 I702 G815 I816 V835 F838	D701-T833 WeakPolarHBondContact O-CB 3.26Å; D701-T833 PolarHBondContact O-OG1 3.45Å; I702-T833 HydrophobicContact CB-CG2 4.18Å; G815-T833 WeakPolarHBondContact CA-O 3.39Å; I816-T833 PolarHBondContact N-O 2.93Å; I816-T833 PolarHBondContact O-N 3.43Å; T833-V835 PolarHBondContact O-N 3.27Å; T833-F838 HydrophobicContact CG2-CD2 3.88Å; T833-F838 HydrophobicContact CG2-CE2 3.4Å; T833-F838 HydrophobicContact CG2-CZ 4.29Å
834	R	93.8	Very high	85.7	Confident	55 Å²	55	49.1 Å²	49.1	21%	0.208	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	107.1	-174.3	-178	-178.6	-52.8	-133.5	1.9	110.9	D765 R780 M781 L782 Y832 T836 M837 F838	D765-R834 IonicContact OD1-CZ 3.61Å; D765-R834 IonicContact OD1-NH2 3.89Å; D765-R834 PolarHBondContact OD1-NH2 2.95Å; D765-R834 IonicContact OD2-CZ 3.69Å; D765-R834 IonicContact OD2-NH1 2.96Å; D765-R834 PolarHBondContact OD2-NH1 2.82Å; D765-R834 IonicContact OD2-NH2 2.89Å; D765-R834 PolarHBondContact OD2-NH2 3.47Å; R780-R834 WeakPolarHBondContact O-CB 3.41Å; R780-R834 PolarHBondContact O-N 3.14Å; M781-R834 VanDerWaalsContact O-CZ 3.29Å; M781-R834 PolarHBondContact O-NE 2.92Å; M781-R834 PolarHBondContact O-NH2 2.79Å; L782-R834 HydrophobicContact CB-CB 4.48Å; L782-R834 HydrophobicContact CD2-CB 4.2Å; L782-R834 HydrophobicContact CD2-CG 4.17Å; Y832-R834 PolarHBondContact O-N 2.95Å; R834-T836 VanDerWaalsContact C-N 3.34Å; R834-T836 WeakPolarHBondContact CG-OG1 3.37Å; R834-T836 PolarHBondContact O-N 3Å; R834-M837 HydrophobicContact CB-CG 4.4Å; R834-M837 HydrophobicContact CG-CG 4.12Å; R834-M837 PolarHBondContact O-N 3.36Å; R834-F838 VanDerWaalsContact O-CD2 3.3Å; R834-F838 WeakPolarHBondContact O-CD2 3.4Å
835	V	94.5	Very high	87.2	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-64.7	-33.6	-169.6	174	0	0	0	0	113.3	L644 L722 P723 Q813 A814 I816 T833 M837 F838 R839 I842	L644-V835 HydrophobicContact CD2-CG2 4.45Å; L722-V835 HydrophobicContact CD2-CG1 3.87Å; P723-V835 HydrophobicContact CG-CG1 4.38Å; Q813-V835 HydrophobicContact CG-CG2 4.18Å; Q813-V835 WeakPolarHBondContact O-CB 3.03Å; A814-V835 PolarHBondContact O-N 2.88Å; A814-V835 VanDerWaalsContact O-N 3.09Å; I816-V835 HydrophobicContact CD1-CG2 4.3Å; I816-V835 HydrophobicContact CG1-CG2 3.99Å; T833-V835 PolarHBondContact O-N 3.27Å; V835-M837 PolarHBondContact O-N 2.91Å; V835-F838 CarbonylContact O-C 3.55Å; V835-F838 WeakPolarHBondContact O-CA 3.38Å; V835-F838 PolarHBondContact O-N 2.96Å; V835-R839 PolarHBondContact O-N 3.22Å; V835-I842 HydrophobicContact CG1-CD1 4.32Å
836	T	90.6	Very high	88.3	Confident	11 Å²	11	45.6 Å²	45.6	7%	0.067	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-57.6	-36	179.8	56.5	0	0	0	0	112.6	P723 S724 H727 F729 R834 F838 R839	P723-T836 HydrophobicContact CB-CG2 3.96Å; P723-T836 HydrophobicContact CG-CG2 3.72Å; S724-T836 WeakPolarHBondContact O-CG2 3.45Å; H727-T836 HydrophobicContact CB-CG2 4.04Å; F729-T836 HydrophobicContact CE2-CG2 4.01Å; R834-T836 VanDerWaalsContact C-N 3.34Å; R834-T836 WeakPolarHBondContact CG-OG1 3.37Å; R834-T836 PolarHBondContact O-N 3Å; T836-F838 PolarHBondContact O-N 3.48Å; T836-R839 PolarHBondContact O-N 2.84Å
837	M	91.5	Very high	89.2	Confident	102 Å²	102	44.4 Å²	44.4	50%	0.502	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-68.5	-12.5	176.9	-61.9	-59.4	-61.7	0	0	113.7	R780 R834 V835	R780-M837 HydrophobicContact CG-CB 4.39Å; R834-M837 HydrophobicContact CB-CG 4.4Å; R834-M837 HydrophobicContact CG-CG 4.12Å; R834-M837 PolarHBondContact O-N 3.36Å; V835-M837 PolarHBondContact O-N 2.91Å
838	F	93.4	Very high	89.6	Confident	6 Å²	6	43.3 Å²	43.3	3%	0.026	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-117.1	-1.4	-177.3	-62.3	-67.2	0	0	0	114	Y700 I702 R780 T833 R834 V835 T836 E840 W841 I842	Y700-F838 AromaticContact CD1-CE1 3.52Å; Y700-F838 HydrophobicContact CD1-CE1 3.52Å; Y700-F838 AromaticContact CD1-CZ 3.93Å; Y700-F838 HydrophobicContact CD1-CZ 3.93Å; Y700-F838 HydrophobicContact CE1-CE1 4Å; Y700-F838 HydrophobicContact CE1-CZ 4.5Å; Y700-F838 HydrophobicContact CG-CE1 4.42Å; Y700-F838 HydrophobicContact CG-CZ 4.44Å; I702-F838 HydrophobicContact CD1-CB 3.62Å; I702-F838 HydrophobicContact CD1-CD2 3.9Å; I702-F838 HydrophobicContact CD1-CG 3.8Å; I702-F838 HydrophobicContact CG2-CD1 4.13Å; I702-F838 HydrophobicContact CG2-CD2 4.41Å; I702-F838 HydrophobicContact CG2-CE1 4.31Å; I702-F838 HydrophobicContact CG2-CG 4.18Å; R780-F838 HydrophobicContact CB-CE2 4Å; R780-F838 HydrophobicContact CB-CZ 3.79Å; R780-F838 HydrophobicContact CG-CE2 4.38Å; R780-F838 HydrophobicContact CG-CZ 3.84Å; T833-F838 HydrophobicContact CG2-CD2 3.88Å; T833-F838 HydrophobicContact CG2-CE2 3.4Å; T833-F838 HydrophobicContact CG2-CZ 4.29Å; R834-F838 VanDerWaalsContact O-CD2 3.3Å; R834-F838 WeakPolarHBondContact O-CD2 3.4Å; V835-F838 CarbonylContact O-C 3.55Å; V835-F838 WeakPolarHBondContact O-CA 3.38Å; V835-F838 PolarHBondContact O-N 2.96Å; T836-F838 PolarHBondContact O-N 3.48Å; F838-E840 VanDerWaalsContact C-N 3.25Å; F838-E840 PolarHBondContact O-N 2.84Å; F838-W841 WeakPolarHBondContact O-CA 3.39Å; F838-W841 PolarHBondContact O-N 3.42Å; F838-I842 WeakPolarHBondContact O-CG1 3.25Å; F838-I842 PolarHBondContact O-N 2.85Å
839	R	90.6	Very high	90.3	Very high	24 Å²	24	43.8 Å²	43.8	9%	0.091	21%	0.207	C	C	.	.	H	α-helix	trans	-54.2	-39.2	-177.3	-177	67.3	-175.3	90.6	-6.2	112.9	L722 P723 P725 V835 T836 K843 I848	L722-R839 PolarHBondContact O-NE 3.38Å; P723-R839 VanDerWaalsContact O-CD 3.28Å; P723-R839 WeakPolarHBondContact O-CD 3.28Å; P723-R839 VanDerWaalsContact O-CG 3.31Å; P723-R839 WeakPolarHBondContact O-CG 3.39Å; P725-R839 HydrophobicContact CG-CB 4.14Å; P725-R839 HydrophobicContact CG-CG 4.35Å; V835-R839 PolarHBondContact O-N 3.22Å; T836-R839 PolarHBondContact O-N 2.84Å; R839-K843 VanDerWaalsContact O-CB 3.31Å; R839-K843 WeakPolarHBondContact O-CB 3.34Å; R839-K843 PolarHBondContact O-N 2.99Å; R839-I848 PolarHBondContact NH1-O 3.4Å; R839-I848 PolarHBondContact NH1-OXT 3.01Å; R839-I848 PolarHBondContact NH2-OXT 2.92Å
840	E	89.8	Confident	90.7	Very high	125 Å²	125	45.9 Å²	45.9	58%	0.584	22%	0.216	S	C	*	.	H	α-helix	trans	-68.8	-36.7	175	-71.7	-61.3	124.7	0	0	113.6	P725 F838 K843 K844	P725-E840 HydrophobicContact CG-CG 4.25Å; F838-E840 VanDerWaalsContact C-N 3.25Å; F838-E840 PolarHBondContact O-N 2.84Å; E840-K843 PolarHBondContact O-N 3.4Å; E840-K844 WeakPolarHBondContact O-CB 3.42Å; E840-K844 PolarHBondContact O-N 2.94Å
841	W	94.4	Very high	91	Very high	27 Å²	27	48.3 Å²	48.3	10%	0.102	23%	0.226	C	C	.	.	H	α-helix	trans	-69	-44.1	175.1	172.8	80.1	0	0	0	111.1	I688 H690 I702 L704 F838 K843 K844 E845	I688-W841 HydrophobicContact CG2-CZ2 4.24Å; H690-W841 HydrophobicContact CB-CZ2 4.38Å; H690-W841 AromaticContact CD2-CD1 3.81Å; H690-W841 AromaticContact CD2-CD2 3.68Å; H690-W841 AromaticContact CD2-CE2 3.63Å; H690-W841 AromaticContact CD2-CG 3.82Å; H690-W841 AromaticContact CD2-NE1 3.7Å; H690-W841 AromaticContact NE2-CD1 3.83Å; I702-W841 HydrophobicContact CD1-CE3 4.47Å; I702-W841 HydrophobicContact CD1-CZ3 4.21Å; I702-W841 HydrophobicContact CG1-CZ3 3.98Å; I702-W841 HydrophobicContact CG2-CE3 4.37Å; I702-W841 HydrophobicContact CG2-CH2 4.45Å; I702-W841 HydrophobicContact CG2-CZ3 4Å; L704-W841 HydrophobicContact CB-CH2 4.43Å; L704-W841 HydrophobicContact CD1-CE3 4.25Å; L704-W841 HydrophobicContact CD1-CH2 3.68Å; L704-W841 HydrophobicContact CD1-CZ2 4.21Å; L704-W841 HydrophobicContact CD1-CZ3 3.7Å; L704-W841 HydrophobicContact CG-CH2 3.78Å; L704-W841 HydrophobicContact CG-CZ3 3.77Å; F838-W841 WeakPolarHBondContact O-CA 3.39Å; F838-W841 PolarHBondContact O-N 3.42Å; W841-K843 VanDerWaalsContact C-N 3.28Å; W841-K843 PolarHBondContact O-N 2.93Å; W841-K844 PolarHBondContact O-N 3.39Å; W841-E845 HydrophobicContact CZ2-CG 4.49Å; W841-E845 PolarHBondContact O-N 3.49Å; W841-E845 VanDerWaalsContact O-N 3.07Å
842	I	94	Very high	91	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-57.6	-45.2	173.9	-62.5	168	0	0	0	110.1	I638 L644 I702 L704 L722 V835 F838 K844 E845 T846	I638-I842 HydrophobicContact CD1-CG2 3.95Å; L644-I842 HydrophobicContact CD1-CD1 4.04Å; L644-I842 HydrophobicContact CD1-CG1 4.32Å; L644-I842 HydrophobicContact CD2-CD1 4.01Å; I702-I842 HydrophobicContact CD1-CD1 4.36Å; L704-I842 HydrophobicContact CD2-CG2 4.23Å; L722-I842 HydrophobicContact CD1-CD1 4.32Å; L722-I842 HydrophobicContact CD1-CG2 3.79Å; L722-I842 HydrophobicContact CD2-CD1 4.35Å; V835-I842 HydrophobicContact CG1-CD1 4.32Å; F838-I842 WeakPolarHBondContact O-CG1 3.25Å; F838-I842 PolarHBondContact O-N 2.85Å; I842-K844 PolarHBondContact O-N 3.32Å; I842-E845 PolarHBondContact O-N 3Å; I842-T846 HydrophobicContact CG2-CG2 4.21Å; I842-T846 WeakPolarHBondContact O-CB 3.32Å; I842-T846 WeakPolarHBondContact O-CG2 3.24Å; I842-T846 PolarHBondContact O-N 3.37Å; I842-T846 PolarHBondContact O-OG1 3.29Å
843	K	91.1	Very high	90.8	Very high	100 Å²	100	54.2 Å²	54.2	44%	0.435	25%	0.254	S	S	.	.	H	α-helix	trans	-62.3	-41.9	178.3	-167.9	162.4	-169.6	165.5	0	113.1	R839 E840 W841 N847 I848	R839-K843 VanDerWaalsContact O-CB 3.31Å; R839-K843 WeakPolarHBondContact O-CB 3.34Å; R839-K843 PolarHBondContact O-N 2.99Å; E840-K843 PolarHBondContact O-N 3.4Å; W841-K843 VanDerWaalsContact C-N 3.28Å; W841-K843 PolarHBondContact O-N 2.93Å; K843-N847 WeakPolarHBondContact O-CA 3.49Å; K843-N847 PolarHBondContact O-N 3.47Å; K843-I848 WeakPolarHBondContact CA-O 3.37Å; K843-I848 VanDerWaalsContact CB-O 3.3Å; K843-I848 WeakPolarHBondContact CB-O 3.35Å; K843-I848 WeakPolarHBondContact CG-O 3.35Å
844	K	92.9	Very high	90.6	Very high	147 Å²	147	57.7 Å²	57.7	64%	0.639	27%	0.27	S	S	*	.	H	α-helix	trans	-63.8	-39.5	176.7	172.7	175.6	166.3	-83.4	0	113.4	E840 W841 I842	E840-K844 WeakPolarHBondContact O-CB 3.42Å; E840-K844 PolarHBondContact O-N 2.94Å; W841-K844 PolarHBondContact O-N 3.39Å; I842-K844 PolarHBondContact O-N 3.32Å
845	E	92.6	Very high	90.3	Very high	49 Å²	49	57.9 Å²	57.9	23%	0.229	27%	0.274	C	S	.	.	H	α-helix	trans	-88.5	-26.6	-176.1	-61.4	-57.8	139.4	0	0	113.4	W642 L704 W841 I842	W642-E845 WeakPolarHBondContact CZ2-O 3.47Å; L704-E845 HydrophobicContact CD1-CB 3.77Å; L704-E845 HydrophobicContact CD1-CG 4.45Å; W841-E845 HydrophobicContact CZ2-CG 4.49Å; W841-E845 PolarHBondContact O-N 3.49Å; W841-E845 VanDerWaalsContact O-N 3.07Å; I842-E845 PolarHBondContact O-N 3Å
846	T	89.3	Confident	90	Very high	11 Å²	11	62.3 Å²	62.3	7%	0.067	30%	0.296	C	S	.	.	H	α-helix	trans	-107.5	-25.7	-176.7	67.8	0	0	0	0	114.9	I638 W642 L704 I842 I848	I638-T846 HydrophobicContact CD1-CG2 4.49Å; W642-T846 HydrophobicContact CB-CG2 4.38Å; W642-T846 HydrophobicContact CD2-CG2 3.58Å; W642-T846 HydrophobicContact CE3-CG2 3.86Å; W642-T846 HydrophobicContact CG-CG2 3.85Å; W642-T846 HydrophobicContact CH2-CG2 4.31Å; W642-T846 HydrophobicContact CZ2-CG2 4.11Å; W642-T846 HydrophobicContact CZ3-CG2 4.21Å; L704-T846 HydrophobicContact CD1-CG2 3.82Å; L704-T846 HydrophobicContact CD2-CG2 3.9Å; L704-T846 HydrophobicContact CG-CG2 4.44Å; I842-T846 HydrophobicContact CG2-CG2 4.21Å; I842-T846 WeakPolarHBondContact O-CB 3.32Å; I842-T846 WeakPolarHBondContact O-CG2 3.24Å; I842-T846 PolarHBondContact O-N 3.37Å; I842-T846 PolarHBondContact O-OG1 3.29Å; T846-I848 WeakPolarHBondContact OG1-CB 3.47Å; T846-I848 PolarHBondContact OG1-N 3.49Å
847	N	84.3	Confident	90	Very high	146 Å²	146	66.6 Å²	66.6	78%	0.781	32%	0.315	S	S	*	.			trans	67.3	27.8	-166.2	-50.8	-90.3	0	0	0	115.1	K843	K843-N847 WeakPolarHBondContact O-CA 3.49Å; K843-N847 PolarHBondContact O-N 3.47Å
848	I	76.1	Confident	89.8	Confident	62 Å²	62	63.4 Å²	63.4	32%	0.318	30%	0.297	S	S	.	.			trans	-110.9	0	174.3	-50.9	163.5	0	0	0	109.3	S639 W642 R839 K843 T846	S639-I848 WeakPolarHBondContact OG-CD1 3.31Å; W642-I848 HydrophobicContact CB-CD1 4.44Å; W642-I848 HydrophobicContact CG-CD1 4.4Å; R839-I848 PolarHBondContact NH1-O 3.4Å; R839-I848 PolarHBondContact NH1-OXT 3.01Å; R839-I848 PolarHBondContact NH2-OXT 2.92Å; K843-I848 WeakPolarHBondContact CA-O 3.37Å; K843-I848 VanDerWaalsContact CB-O 3.3Å; K843-I848 WeakPolarHBondContact CB-O 3.35Å; K843-I848 WeakPolarHBondContact CG-O 3.35Å; T846-I848 WeakPolarHBondContact OG1-CB 3.47Å; T846-I848 PolarHBondContact OG1-N 3.49Å

Retrieved 848 of 848 residues in 1037.7 ms (Link to these results)

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