A0A087XUE8_POEFO Loading...

Protein phosphatase 1 regulatory subunit 37

AlphaFold DB , UniProt , Accession A0A087XUE8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,094 aa.

						>A0A087XUE8_POEFO|A0A087XUE8
MNFEEQRLDLCNVKTKANVDDDHNTTNNTEAVTPRISELMTDSDFEKQTSVPTEASETYLMPQLTDNLQTAEEDNQDTLEIDEVNGNKKSCAQDTPAVDNPTDLISSNDEQHKIVIEEVEEVNMKEDRDSNSAHTAVEAGDDGVDMDIGVDLSLDESGVLEAESANATSVSDNALDSKSSPQDVPAGRTAEGQANAIQTCSTEASAADQAGLYPLVEEGEEKHKQSGKRVTFPSGDDIVSGAVEPKDPWRHAQNVTVEEILSSYKQACQKLNCKPVPKVLKQIQELKDLTQRNECLDLKGEKLDYKACESLEEILKRVQFKVIDLEQTNLDEDGASALFDMIEYYESATHLNISFNKHIGTRGWQAAAHMMRKTSSLQYLEARNTPLLDHSAPFVARALRISGGLAVLHLENAGLSGRPLMLLATALKMNMNLRELYLADNKLNGLQDSAQLGNLLKFNYNIQILDLRNNHILDSGLAYLCEGLKEQRKGLVTLVLWNNQLTHNGMGYLAAALPCTQSLETLNLGHNSVGNEGVHKLKDGLIGNRSVLRLGLASTKLSCEGAVAVAEFIAESPRLLRLDLRENEIKTGGLMALSLALKVNNSLLRLDLDREPKKESVKSFIETQRALLTEIQNGCKRNFILAKEKEETEEKMKLSASMAEIATEDGTREEEEDEPASAERKEGEEEGEPTENASQTDSVSETSPDTTAPPGNLDSDSDTEDEGEVVTKSSPVVSNQGAPVSQPPLSASRTPSPPSASPARAPALISGITVTESMVPAPPGTPPSPGRCISVSSPGRGHKIFMVTRVESPPEQLQKAAAPPALCPPKDLTTVTPAQTQLTPGGANESPPASSTDDKTTEERPGAAQSPKLDPLSSEDAKARTLDPARLMDPSLPTPALPSNSSPLPEVALKPTSPPAGPLQGPDAAEGSNTIEEHEGQDGRQGPSTNELAQPTPAQEEPNADQTAGPEESPPPNPTDDKPSREEASPDPVQTGQQAPSSSNPPEDGADVNPGSKVKDQESTDENSADECFEEALDGEVVASALPNGLKTEFSLHLLDGETPKPGSCVMEHVSSSCALELEELLLEASMDNGRDAP
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.6	Very low	28.5	Very low	151 Å²	151	141.1 Å²	141.1	74%	0.744	68%	0.677	S	S	*	*				0	104.9	0	-76.7	-174.7	-160.8	0	0	110.2	F3 E646	M1-F3 HydrophobicContact CB-CD2 4.39Å; M1-F3 PolarHBondContact O-N 3.28Å; M1-F3 VanDerWaalsContact O-N 3.17Å; M1-F3 HydrophobicContact SD-CE2 4.23Å; M1-E646 WeakPolarHBondContact CB-OE1 3.08Å; M1-E646 VanDerWaalsContact CG-OE1 3.28Å; M1-E646 WeakPolarHBondContact CG-OE1 3.48Å; M1-E646 PolarHBondContact N-OE1 3.07Å; M1-E646 PolarHBondContact N-OE2 3.31Å
2	N	23.6	Very low	28.3	Very low	174 Å²	174	140.5 Å²	140.5	93%	0.93	68%	0.68	S	S	*	*			trans	-77.1	102.1	172.8	-76.8	-8.5	0	0	0	110.5
3	F	28.4	Very low	28.3	Very low	179 Å²	179	140.3 Å²	140.3	79%	0.785	69%	0.692	S	S	*	*			trans	-94.5	116.5	161.3	-86.6	-86.3	0	0	0	109	M1	M1-F3 HydrophobicContact CB-CD2 4.39Å; M1-F3 PolarHBondContact O-N 3.28Å; M1-F3 VanDerWaalsContact O-N 3.17Å; M1-F3 HydrophobicContact SD-CE2 4.23Å
4	E	24.4	Very low	28.1	Very low	181 Å²	181	144.1 Å²	144.1	85%	0.846	70%	0.703	S	S	*	*			trans	-64.6	138.8	166.7	-63.3	-176.3	119.7	0	0	109.8	Q6	E4-Q6 VanDerWaalsContact C-N 3.26Å; E4-Q6 PolarHBondContact O-N 3.39Å
5	E	32.7	Very low	28.1	Very low	171 Å²	171	143 Å²	143	80%	0.799	71%	0.708	S	S	*	*			trans	-74.8	75.9	177	-73.8	-158.5	125.8	0	0	111.7	R7	E5-R7 VanDerWaalsContact C-N 3.33Å; E5-R7 PolarHBondContact O-N 3.23Å
6	Q	25	Very low	27.9	Very low	174 Å²	174	147.1 Å²	147.1	81%	0.813	72%	0.721	S	S	*	*			trans	-63.5	99.7	153	-75.6	-166.7	-5.6	0	0	108.5	E4 L8	E4-Q6 VanDerWaalsContact C-N 3.26Å; E4-Q6 PolarHBondContact O-N 3.39Å; Q6-L8 VanDerWaalsContact C-N 3.29Å; Q6-L8 PolarHBondContact O-N 3.11Å
7	R	27.3	Very low	27.8	Very low	190 Å²	190	143.7 Å²	143.7	72%	0.717	72%	0.722	S	S	*	*			trans	-70.6	82.1	175.9	-77.4	-173.4	170.2	-151.9	12	111.7	E5 D9	E5-R7 VanDerWaalsContact C-N 3.33Å; E5-R7 PolarHBondContact O-N 3.23Å; R7-D9 IonicContact NH1-OD2 2.65Å; R7-D9 PolarHBondContact NH1-OD2 2.65Å; R7-D9 PolarHBondContact O-N 3.23Å
8	L	29.2	Very low	27.7	Very low	114 Å²	114	144.9 Å²	144.9	60%	0.597	73%	0.73	S	S	*	*			trans	-71.5	74.3	151.8	-74.3	169.9	0	0	0	108.9	Q6 L10	Q6-L8 VanDerWaalsContact C-N 3.29Å; Q6-L8 PolarHBondContact O-N 3.11Å; L8-L10 HydrophobicContact CB-CD1 4.33Å; L8-L10 HydrophobicContact CB-CG 4.45Å; L8-L10 PolarHBondContact O-N 2.84Å
9	D	27.1	Very low	27.8	Very low	100 Å²	100	143.5 Å²	143.5	54%	0.535	73%	0.73	S	S	.	*			trans	-70	62.1	169.8	-93.7	-38.5	0	0	0	109.7	R7 C11	R7-D9 IonicContact NH1-OD2 2.65Å; R7-D9 PolarHBondContact NH1-OD2 2.65Å; R7-D9 PolarHBondContact O-N 3.23Å; D9-C11 PolarHBondContact O-N 3.44Å
10	L	35.3	Very low	27.7	Very low	77 Å²	77	144.7 Å²	144.7	40%	0.403	74%	0.738	S	S	.	*			trans	-62.1	7.8	-175.6	-94.6	162.8	0	0	0	115.2	L8	L8-L10 HydrophobicContact CB-CD1 4.33Å; L8-L10 HydrophobicContact CB-CG 4.45Å; L8-L10 PolarHBondContact O-N 2.84Å
11	C	29.4	Very low	27.7	Very low	41 Å²	41	145 Å²	145	28%	0.277	74%	0.741	S	S	.	*			trans	-144.2	69.6	-174.7	-60.1	0	0	0	0	111.8	D9 R581	D9-C11 PolarHBondContact O-N 3.44Å; C11-R581 VanDerWaalsContact CB-NH2 3.33Å; C11-R581 PolarHBondContact SG-NH2 3.27Å
12	N	27	Very low	27.5	Very low	134 Å²	134	145.7 Å²	145.7	72%	0.717	75%	0.748	S	S	*	*			trans	-152.1	41	169.5	-112.4	-30.9	0	0	0	114.2	K14	N12-K14 PolarHBondContact O-N 3.14Å
13	V	28.2	Very low	27.7	Very low	138 Å²	138	146 Å²	146	84%	0.836	74%	0.744	S	S	*	*			trans	-78.2	87.1	168.6	-177.6	0	0	0	0	109.1	T15	V13-T15 PolarHBondContact O-N 3.36Å; V13-T15 VanDerWaalsContact O-N 3.11Å
14	K	25.4	Very low	27.6	Very low	194 Å²	194	144.9 Å²	144.9	84%	0.843	75%	0.746	S	S	*	*			trans	-77.3	96.5	179.7	-168.9	171.9	-173.8	174	0	110.5	N12 K16	N12-K14 PolarHBondContact O-N 3.14Å; K14-K16 PolarHBondContact O-N 3.32Å
15	T	28.1	Very low	27.7	Very low	127 Å²	127	141.5 Å²	141.5	78%	0.779	74%	0.738	S	S	*	*			trans	-61.8	123.5	179.4	41.7	0	0	0	0	112.1	V13	V13-T15 PolarHBondContact O-N 3.36Å; V13-T15 VanDerWaalsContact O-N 3.11Å
16	K	25.1	Very low	27.4	Very low	209 Å²	209	138.8 Å²	138.8	91%	0.909	73%	0.733	S	S	*	*			trans	-145.4	120.7	157.6	-124.5	-165.7	176.7	-157.8	0	108.6	K14	K14-K16 PolarHBondContact O-N 3.32Å
17	A	26.5	Very low	27.4	Very low	89 Å²	89	137 Å²	137	74%	0.736	73%	0.729	S	S	*	*			trans	-110.2	166.7	172.5	0	0	0	0	0	110
18	N	25.7	Very low	27.3	Very low	165 Å²	165	134.8 Å²	134.8	88%	0.882	73%	0.731	S	S	*	*			trans	73.3	139.1	177	-64.4	9.2	0	0	0	117.4
19	V	29	Very low	27.2	Very low	119 Å²	119	134.8 Å²	134.8	72%	0.721	74%	0.736	S	S	*	*			trans	-93.8	147.2	177.5	172.6	0	0	0	0	108.2
20	D	26	Very low	27.1	Very low	166 Å²	166	139.2 Å²	139.2	89%	0.888	75%	0.754	S	S	*	*			trans	-151.9	148.2	142.9	-87.7	-45.2	0	0	0	107.1
21	D	27.3	Very low	26.6	Very low	151 Å²	151	139.7 Å²	139.7	81%	0.807	77%	0.769	S	S	*	*			trans	-80.5	147.5	-174.2	-71.6	-69.1	0	0	0	113.3
22	D	26.1	Very low	26.3	Very low	166 Å²	166	144.5 Å²	144.5	89%	0.888	80%	0.797	S	S	*	*				-170	157.3	124.3	-121.6	-32.6	0	0	0	113.8
23	H	28.2	Very low	26.3	Very low	182 Å²	182	144.1 Å²	144.1	84%	0.843	80%	0.799	S	S	*	*			trans	-104.9	137.3	178.8	-80.8	-46.1	0	0	0	113.3
24	N	25.6	Very low	26.8	Very low	154 Å²	154	143.6 Å²	143.6	82%	0.824	80%	0.799	S	S	*	*				-166.7	175	115.7	-130.6	-47.3	0	0	0	115.8
25	T	27.7	Very low	26.9	Very low	110 Å²	110	145.6 Å²	145.6	68%	0.675	80%	0.801	S	S	*	*			trans	-86.7	166.8	-173	53.1	0	0	0	0	113
26	T	26.6	Very low	26.8	Very low	115 Å²	115	147.7 Å²	147.7	71%	0.706	81%	0.806	S	S	*	*				-169.5	147.5	59.5	41.3	0	0	0	0	115.5
27	N	25.2	Very low	26.9	Very low	137 Å²	137	142.5 Å²	142.5	73%	0.733	80%	0.796	S	S	*	*			trans	36.6	125.2	138.8	-53.2	-6.8	0	0	0	124
28	N	25.4	Very low	27	Very low	142 Å²	142	146.9 Å²	146.9	76%	0.759	80%	0.801	S	S	*	*				159.8	100.1	119.5	-84.2	-11.3	0	0	0	110.7
29	T	26.2	Very low	26.9	Very low	114 Å²	114	146.4 Å²	146.4	70%	0.699	80%	0.798	S	S	*	*				87.8	120.8	82.8	52.3	0	0	0	0	116
30	E	24.9	Very low	26.6	Very low	193 Å²	193	149.8 Å²	149.8	90%	0.902	81%	0.808	S	S	*	*			trans	69.9	161.1	155.7	-60.8	-178.4	167.1	0	0	120.1
31	A	24	Very low	26.7	Very low	87 Å²	87	147.3 Å²	147.3	72%	0.719	80%	0.799	S	S	*	*				-166.8	174.1	-72.3	0	0	0	0	0	111.6
32	V	24	Very low	26.6	Very low	143 Å²	143	147.5 Å²	147.5	87%	0.867	80%	0.8	S	S	*	*			trans	75.2	116.9	162.3	-172.7	0	0	0	0	118.5
33	T	26.3	Very low	26.8	Very low	126 Å²	126	145 Å²	145	77%	0.773	80%	0.795	S	S	*	*			trans	-89.4	165	165.1	45.5	0	0	0	0	110.8
34	P	39.1	Very low	26.7	Very low	127 Å²	127	144.1 Å²	144.1	83%	0.825	80%	0.797	S	S	*	*				-149.5	172.2	84.1	38.3	-18.6	0	0	0	116.7
35	R	28.6	Very low	26.8	Very low	235 Å²	235	145.9 Å²	145.9	89%	0.887	80%	0.798	S	S	*	*			trans	-76.3	163.7	166.7	-59	170.5	172.2	167.8	-5.3	111.3
36	I	25.1	Very low	26.9	Very low	171 Å²	171	147.9 Å²	147.9	88%	0.877	80%	0.799	S	S	*	*				-162.6	154	120.8	-100.3	155.5	0	0	0	108.9
37	S	26.7	Very low	27	Very low	101 Å²	101	152.4 Å²	152.4	71%	0.706	81%	0.809	S	S	*	*			trans	-104.2	-174.9	-179.1	-59.6	0	0	0	0	111.4
38	E	28.3	Very low	27.2	Very low	181 Å²	181	153.2 Å²	153.2	85%	0.846	81%	0.809	S	S	*	*			trans	74.2	99.8	168.4	-57.2	178.5	-176.7	0	0	116.8
39	L	24.2	Very low	27.2	Very low	155 Å²	155	152.3 Å²	152.3	81%	0.812	81%	0.808	S	S	*	*				-169	133.7	94.5	-97.8	161.2	0	0	0	110.3
40	M	24	Very low	27.2	Very low	190 Å²	190	152.8 Å²	152.8	94%	0.936	82%	0.816	S	S	*	*			trans	-109.6	119.6	161.9	-79.4	-161.8	-172.2	0	0	108.6
41	T	27.7	Very low	27.4	Very low	114 Å²	114	149.5 Å²	149.5	70%	0.699	81%	0.809	S	S	*	*			trans	-149.4	161.9	160.9	32.5	0	0	0	0	109.4
42	D	25.3	Very low	28.4	Very low	155 Å²	155	150.6 Å²	150.6	83%	0.829	81%	0.809	S	S	*	*			trans	72.3	101	165	-54.1	-19.6	0	0	0	118.3
43	S	29.4	Very low	28.6	Very low	113 Å²	113	148.9 Å²	148.9	79%	0.79	80%	0.799	S	S	*	*			trans	-65.5	140.2	161.5	53.9	0	0	0	0	113.2	F45	S43-F45 PolarHBondContact O-N 2.93Å
44	D	25.7	Very low	28.7	Very low	164 Å²	164	151.6 Å²	151.6	88%	0.877	80%	0.803	S	S	*	*			trans	-64.8	120.2	164.4	-93.5	-53.4	0	0	0	112.3
45	F	28.6	Very low	28.2	Very low	191 Å²	191	149.9 Å²	149.9	84%	0.838	80%	0.8	S	S	*	*			trans	-149.7	144.3	152.8	-115.9	-83.5	0	0	0	112	S43	S43-F45 PolarHBondContact O-N 2.93Å
46	E	29.4	Very low	28.3	Very low	151 Å²	151	144.3 Å²	144.3	71%	0.706	80%	0.796	S	S	*	*			trans	60.6	115.9	173.6	-54.9	-142.3	151.5	0	0	120.1	Q48	E46-Q48 PolarHBondContact OE2-NE2 3.44Å
47	K	29.6	Very low	28.4	Very low	210 Å²	210	143.9 Å²	143.9	91%	0.913	79%	0.791	S	S	*	*			trans	-104.4	130.6	151.4	-81.3	178.1	176	169.2	0	109.3
48	Q	27.9	Very low	28.5	Very low	155 Å²	155	143.6 Å²	143.6	72%	0.724	79%	0.785	S	S	*	*			trans	-119.6	105.4	163.9	-68.3	-162.3	22.9	0	0	112.7	E46	E46-Q48 PolarHBondContact OE2-NE2 3.44Å
49	T	25.9	Very low	28.5	Very low	122 Å²	122	145.1 Å²	145.1	75%	0.748	78%	0.784	S	S	*	*			trans	25.5	121.4	141.1	53.3	0	0	0	0	120.8
50	S	25.8	Very low	28.6	Very low	124 Å²	124	144.5 Å²	144.5	87%	0.867	78%	0.781	S	S	*	*			trans	-96.4	156.7	148.3	54.9	0	0	0	0	111.5
51	V	30.6	Very low	28.6	Very low	125 Å²	125	142.8 Å²	142.8	76%	0.758	77%	0.773	S	S	*	*			trans	-155.8	151.6	-172.8	172.4	0	0	0	0	107.5
52	P	45.2	Very low	29.4	Very low	109 Å²	109	142.9 Å²	142.9	71%	0.708	78%	0.775	S	S	*	*			cis	-114.3	-160.8	-2.4	26.1	-0.8	0	0	0	111.3
53	T	27	Very low	29.5	Very low	107 Å²	107	143 Å²	143	66%	0.656	77%	0.771	S	S	*	*			cis	-161.4	136.6	21.7	-33.1	0	0	0	0	114
54	E	29	Very low	29.3	Very low	183 Å²	183	144.2 Å²	144.2	86%	0.855	77%	0.768	S	S	*	*			trans	60.7	146.8	150.4	-76.7	169.6	-176.7	0	0	125.4
55	A	28	Very low	29.5	Very low	92 Å²	92	141.4 Å²	141.4	76%	0.76	76%	0.757	S	S	*	*			trans	64.7	112.9	166.6	0	0	0	0	0	118.7
56	S	30.3	Very low	29.3	Very low	117 Å²	117	139 Å²	139	82%	0.818	75%	0.752	S	S	*	*				90.7	136.9	57.9	-75.9	0	0	0	0	113.6
57	E	28.4	Very low	29.2	Very low	163 Å²	163	137.5 Å²	137.5	76%	0.762	75%	0.749	S	S	*	*			cis	-147.4	152.3	3.3	-107.8	-146.6	75.3	0	0	113.8
58	T	27.8	Very low	29.3	Very low	95 Å²	95	134 Å²	134	58%	0.583	74%	0.74	S	S	*	*			trans	23.8	122.2	138	-36.8	0	0	0	0	121.8
59	Y	28	Very low	29.5	Very low	212 Å²	212	134.1 Å²	134.1	83%	0.831	74%	0.74	S	S	*	*				-180	-178.5	114.9	-112.1	-88.1	0	0	0	115.3
60	L	27.6	Very low	29.6	Very low	142 Å²	142	134.9 Å²	134.9	74%	0.743	75%	0.745	S	S	*	*			trans	-72.9	166.5	-158.5	-77.3	163.6	0	0	0	120.4
61	M	23.8	Very low	29.9	Very low	155 Å²	155	133 Å²	133	76%	0.764	74%	0.737	S	S	*	*			trans	-9.1	163.6	140	-95.1	-166.2	109.2	0	0	119.9
62	P	44.3	Very low	30	Very low	115 Å²	115	135 Å²	135	75%	0.747	74%	0.738	S	S	*	*			cis	-133.5	-157.5	19.3	41	-21.5	0	0	0	115.8
63	Q	28	Very low	29.7	Very low	158 Å²	158	138 Å²	138	74%	0.738	74%	0.743	S	S	*	*			trans	-92.6	-178	-174.7	-57.8	-178.2	-12.9	0	0	114.7
64	L	25.1	Very low	30.1	Very low	139 Å²	139	138.8 Å²	138.8	73%	0.728	74%	0.743	S	S	*	*			trans	99.5	112.8	150.2	-71.5	161.6	0	0	0	118.9
65	T	29	Very low	30.5	Very low	105 Å²	105	135.8 Å²	135.8	64%	0.644	73%	0.733	S	S	*	*			trans	20.8	120.3	132.7	55.6	0	0	0	0	116.7
66	D	25.4	Very low	30.9	Very low	139 Å²	139	138.9 Å²	138.9	74%	0.743	73%	0.731	S	S	*	*				-178.1	169.6	75.3	-97.8	-47.2	0	0	0	107.5
67	N	27.2	Very low	31.4	Very low	120 Å²	120	138.7 Å²	138.7	64%	0.642	72%	0.721	S	S	*	*			cis	160.2	168.4	-10.2	-152	-35.8	0	0	0	104.3
68	L	32	Very low	31.8	Very low	137 Å²	137	135.7 Å²	135.7	72%	0.717	71%	0.714	S	S	*	*			trans	64.4	168.2	167.6	-55	162	0	0	0	115.1
69	Q	32	Very low	32.3	Very low	157 Å²	157	138.1 Å²	138.1	73%	0.734	72%	0.723	S	S	*	*			cis	-155.3	158.4	1.1	-143.8	149.3	0.6	0	0	111.7
70	T	28.3	Very low	32.7	Very low	139 Å²	139	135 Å²	135	85%	0.853	72%	0.716	S	S	*	*			trans	157.7	138.7	134	44.2	0	0	0	0	109.2
71	A	31.6	Very low	33.2	Very low	84 Å²	84	134 Å²	134	69%	0.694	71%	0.71	S	S	*	*			cis	-163.3	-174.4	-14.4	0	0	0	0	0	106.3
72	E	32.8	Very low	33.6	Very low	167 Å²	167	133.3 Å²	133.3	78%	0.78	71%	0.709	S	S	*	*			cis	-147.8	154.5	19	-65.9	174.7	137	0	0	110.9
73	E	37.6	Very low	33.4	Very low	172 Å²	172	135.7 Å²	135.7	80%	0.804	71%	0.711	S	S	*	*			trans	60.9	140.7	144.5	-73.1	174	-166.9	0	0	121.3
74	D	35.6	Very low	33.7	Very low	123 Å²	123	133.8 Å²	133.8	66%	0.658	71%	0.71	S	S	*	*			cis	-156.1	163.9	1.9	-154.7	19.2	0	0	0	114.2
75	N	37.8	Very low	34	Very low	121 Å²	121	134.6 Å²	134.6	65%	0.647	71%	0.714	S	S	*	*			trans	13.8	146.9	156.6	-68.1	-44.5	0	0	0	121.4
76	Q	36.8	Very low	34	Very low	156 Å²	156	133 Å²	133	73%	0.729	72%	0.719	S	S	*	*			cis	-176.7	170	4.6	-115.3	-168.1	-58.2	0	0	107.7
77	D	39.8	Very low	34.2	Very low	113 Å²	113	133 Å²	133	60%	0.604	72%	0.719	S	S	*	*			cis	-167.6	177.2	-16	-149.3	-28.1	0	0	0	110.5
78	T	38.5	Very low	34.5	Very low	101 Å²	101	136.8 Å²	136.8	62%	0.62	73%	0.73	S	S	*	*			trans	69.7	111.4	152.1	50.1	0	0	0	0	124
79	L	37.3	Very low	34.5	Very low	145 Å²	145	139.2 Å²	139.2	76%	0.759	74%	0.735	S	S	*	*			trans	67.1	145.8	132.5	-48.9	174.3	0	0	0	120.6
80	E	36.9	Very low	34.4	Very low	147 Å²	147	136.7 Å²	136.7	69%	0.687	73%	0.734	S	S	*	*			cis	-166.5	149.4	-15.9	-116.2	-178.6	161.3	0	0	111.7
81	I	36.8	Very low	34.5	Very low	122 Å²	122	136.1 Å²	136.1	63%	0.626	74%	0.735	S	S	*	*			trans	74	124.1	139	-72.1	168.1	0	0	0	123
82	D	32.9	Very low	34.5	Very low	139 Å²	139	135.9 Å²	135.9	74%	0.743	73%	0.733	S	S	*	*			trans	58.2	160.6	145	-64.1	5.1	0	0	0	124.7
83	E	41.1	Very low	34.4	Very low	166 Å²	166	136 Å²	136	78%	0.776	73%	0.733	S	S	*	*			cis	-170.7	-174.5	-39.6	-149	-161.7	-158.4	0	0	109.4
84	V	34.2	Very low	33.9	Very low	118 Å²	118	134.2 Å²	134.2	72%	0.715	73%	0.729	S	S	*	*			trans	60	90.7	162.1	-117.1	0	0	0	0	122.5
85	N	30.1	Very low	33.8	Very low	155 Å²	155	134.6 Å²	134.6	83%	0.829	74%	0.736	S	S	*	*				-6.2	144.2	120	-173.3	10.3	0	0	0	118.1
86	G	30.3	Very low	34.3	Very low	72 Å²	72	134.4 Å²	134.4	74%	0.742	74%	0.742	S	S	*	*			trans	-174.5	8.1	179.7	0	0	0	0	0	125.8
87	N	29.8	Very low	34.2	Very low	139 Å²	139	131.4 Å²	131.4	74%	0.743	74%	0.743	S	S	*	*			trans	9.8	115.5	158.1	177.1	12.9	0	0	0	120.8
88	K	32	Very low	33.9	Very low	200 Å²	200	132 Å²	132	87%	0.87	75%	0.751	S	S	*	*			trans	-172.9	131.1	138.9	-105.2	151.6	-168.9	169.5	0	119.1
89	K	31.7	Very low	33.5	Very low	188 Å²	188	134.8 Å²	134.8	82%	0.817	76%	0.762	S	S	*	*			trans	-6.7	135.5	155.4	-68.7	-174.8	173.8	-175.2	0	123.8
90	S	31.1	Very low	33.2	Very low	103 Å²	103	135 Å²	135	72%	0.72	76%	0.764	S	S	*	*				94	132	115.7	67.9	0	0	0	0	124.9
91	C	29.4	Very low	33.7	Very low	128 Å²	128	133 Å²	133	87%	0.865	76%	0.764	S	S	*	*			trans	72	152.6	147.2	-68.6	0	0	0	0	119.7
92	A	31.2	Very low	33.4	Very low	79 Å²	79	132.5 Å²	132.5	65%	0.653	77%	0.766	S	S	*	*			cis	-173.2	-178.1	-20.1	0	0	0	0	0	109.6
93	Q	30.9	Very low	33	Very low	170 Å²	170	133 Å²	133	79%	0.794	77%	0.769	S	S	*	*			trans	73.1	154.5	162.8	-53.2	-167.9	-94.1	0	0	117.5
94	D	28.6	Very low	32.4	Very low	133 Å²	133	133 Å²	133	71%	0.711	77%	0.774	S	S	*	*			cis	-161.5	167.5	-26.3	-98.9	-26.4	0	0	0	109.6
95	T	31.7	Very low	32	Very low	131 Å²	131	135.5 Å²	135.5	80%	0.804	78%	0.781	S	S	*	*			trans	-99.9	159.3	175.2	54.7	0	0	0	0	113.3
96	P	48.7	Very low	31.8	Very low	118 Å²	118	133.5 Å²	133.5	77%	0.766	78%	0.779	S	S	*	*				-134.8	151.9	107.4	13.3	9.1	0	0	0	112.3
97	A	34.5	Very low	31.6	Very low	92 Å²	92	135 Å²	135	76%	0.76	78%	0.778	S	S	*	*				72.1	137	57.2	0	0	0	0	0	112.9
98	V	33.9	Very low	31.6	Very low	126 Å²	126	134.5 Å²	134.5	76%	0.764	78%	0.775	S	S	*	*			cis	-147.3	149	13.6	-171.8	0	0	0	0	109.5
99	D	31.2	Very low	31.5	Very low	160 Å²	160	131.3 Å²	131.3	86%	0.856	77%	0.768	S	S	*	*			trans	168.2	152.4	131.2	-88.9	-19.9	0	0	0	113.6
100	N	30	Very low	31.4	Very low	150 Å²	150	129.9 Å²	129.9	80%	0.802	76%	0.764	S	S	*	*			trans	-150.5	148.1	-176	-150.9	4	0	0	0	106.6
101	P	48.5	Very low	31.3	Very low	105 Å²	105	131.7 Å²	131.7	68%	0.682	76%	0.761	S	S	*	*				-157.4	162.7	79.4	42.2	-22.6	0	0	0	118.5
102	T	28.9	Very low	31.2	Very low	111 Å²	111	134.1 Å²	134.1	68%	0.681	76%	0.76	S	S	*	*			trans	65.7	136.8	150	30.9	0	0	0	0	122.6
103	D	24.7	Very low	31	Very low	148 Å²	148	139.5 Å²	139.5	79%	0.791	77%	0.768	S	S	*	*			trans	76	155.9	152.7	-58.3	-21.6	0	0	0	121.2
104	L	28.4	Very low	31.1	Very low	168 Å²	168	137.5 Å²	137.5	88%	0.88	76%	0.762	S	S	*	*			trans	74.7	83.3	179.8	-57.4	179.6	0	0	0	117.4
105	I	26.7	Very low	31	Very low	169 Å²	169	137.3 Å²	137.3	87%	0.867	77%	0.765	S	S	*	*			trans	-15.4	124.2	145.1	-60.1	163.3	0	0	0	113.7
106	S	26.3	Very low	30.9	Very low	114 Å²	114	136.7 Å²	136.7	80%	0.797	76%	0.756	S	S	*	*			trans	-93.5	112.2	174.1	56.6	0	0	0	0	112.7
107	S	26.4	Very low	30.1	Very low	103 Å²	103	138.8 Å²	138.8	72%	0.72	76%	0.755	S	S	*	*			trans	-78.5	164.1	147.4	-58.7	0	0	0	0	108.9
108	N	27.9	Very low	29.8	Very low	128 Å²	128	142.8 Å²	142.8	68%	0.684	76%	0.758	S	S	*	*			cis	-158	179.5	29.5	-149.2	52.7	0	0	0	111
109	D	30.5	Very low	29.5	Very low	134 Å²	134	142.9 Å²	142.9	72%	0.717	76%	0.759	S	S	*	*			trans	64.9	120	162.8	-52.5	-39.9	0	0	0	116.9
110	E	30	Very low	29.2	Very low	158 Å²	158	144.1 Å²	144.1	74%	0.738	76%	0.759	S	S	*	*			cis	-148.7	164.6	-2.4	-90.6	-173.2	96.6	0	0	106.4
111	Q	27.9	Very low	29.1	Very low	140 Å²	140	145.2 Å²	145.2	65%	0.654	76%	0.76	S	S	*	*			cis	-164.6	170.6	27.1	-130.3	151.5	41.1	0	0	109.7
112	H	28.9	Very low	28.1	Very low	179 Å²	179	145.6 Å²	145.6	83%	0.829	76%	0.76	S	S	*	*			trans	62.4	101.5	168.4	-68.2	-73.2	0	0	0	121.2
113	K	26.4	Very low	27.9	Very low	192 Å²	192	146.5 Å²	146.5	84%	0.835	76%	0.76	S	S	*	*				-160.4	140.7	125.8	-143.2	173.1	179.8	-176.4	0	114.6
114	I	33	Very low	27.9	Very low	129 Å²	129	146.5 Å²	146.5	66%	0.662	76%	0.757	S	S	*	*			trans	9.3	136.9	157.9	-58	169.4	0	0	0	120.8	I116	I114-I116 HydrophobicContact CG2-CG1 4.49Å
115	V	25.8	Very low	27.8	Very low	129 Å²	129	146.4 Å²	146.4	78%	0.782	75%	0.75	S	S	*	*			trans	-140.7	134.8	161.3	162.4	0	0	0	0	105.6
116	I	30.9	Very low	27.8	Very low	118 Å²	118	145 Å²	145	61%	0.605	74%	0.74	S	S	*	*			cis	89.3	108.8	29.8	-57.4	166.5	0	0	0	112.6	I114	I114-I116 HydrophobicContact CG2-CG1 4.49Å
117	E	31.1	Very low	27.7	Very low	162 Å²	162	145 Å²	145	76%	0.757	73%	0.731	S	S	*	*			cis	-159.7	-139.1	-6.1	-144.7	73.8	-81	0	0	110
118	E	28.5	Very low	27.7	Very low	176 Å²	176	150.1 Å²	150.1	82%	0.822	73%	0.734	S	S	*	*			trans	78.6	112.6	166.5	-72.2	177	177.7	0	0	117.5
119	V	27.9	Very low	27.6	Very low	128 Å²	128	150.8 Å²	150.8	78%	0.776	74%	0.738	S	S	*	*				81.8	127.6	80.9	164.6	0	0	0	0	110.9
120	E	25.5	Very low	27.4	Very low	185 Å²	185	148.4 Å²	148.4	86%	0.864	73%	0.732	S	S	*	*			cis	-140.2	174	49.1	-153.3	162.5	-130	0	0	114.7
121	E	26.6	Very low	27.1	Very low	174 Å²	174	147.8 Å²	147.8	81%	0.813	73%	0.733	S	S	*	*			trans	-86.6	-171.6	-165.2	-41.4	-177.9	106.8	0	0	113.9
122	V	27.3	Very low	27.1	Very low	112 Å²	112	146.3 Å²	146.3	68%	0.679	74%	0.738	S	S	*	*				-161.7	147	50.1	-143.7	0	0	0	0	112.5
123	N	24.5	Very low	26.9	Very low	130 Å²	130	142 Å²	142	70%	0.695	73%	0.734	S	S	*	*			trans	43.3	142.7	150.6	-69.3	-16.8	0	0	0	121.6
124	M	26.5	Very low	26.7	Very low	148 Å²	148	140.3 Å²	140.3	73%	0.729	73%	0.729	S	S	*	*			cis	-156.1	153.1	-6.3	-105.8	177.7	-172.1	0	0	105.9
125	K	25.4	Very low	26.4	Very low	167 Å²	167	139.4 Å²	139.4	73%	0.726	73%	0.729	S	S	*	*				42.8	137.6	85.1	-73	-175.5	159.4	-137.9	0	114.6
126	E	26.5	Very low	26.4	Very low	140 Å²	140	138.3 Å²	138.3	65%	0.654	73%	0.734	S	S	*	*			cis	-155.5	154.7	10.8	-135.4	156.9	-144.9	0	0	112.3
127	D	25.3	Very low	26.1	Very low	112 Å²	112	137.6 Å²	137.6	60%	0.599	74%	0.735	S	S	*	*			trans	38.9	136.8	143.6	-94.5	30.1	0	0	0	123.8
128	R	26.3	Very low	25.9	Very low	212 Å²	212	138.4 Å²	138.4	80%	0.8	74%	0.738	S	S	*	*			trans	71.3	151.2	152.9	-61.4	168.1	-154.2	-160.8	2.1	115.2
129	D	24.3	Very low	25.8	Very low	142 Å²	142	135.2 Å²	135.2	76%	0.759	74%	0.742	S	S	*	*			cis	-143.7	175.8	26.9	-133.7	-42.2	0	0	0	115
130	S	27.1	Very low	25.8	Very low	84 Å²	84	132.8 Å²	132.8	59%	0.587	74%	0.743	S	S	*	*			trans	-82.4	169.4	171.9	60.8	0	0	0	0	113.2
131	N	22.7	Very low	25.9	Very low	145 Å²	145	131.4 Å²	131.4	78%	0.775	74%	0.741	S	S	*	*			trans	75.8	141.9	162.6	-66.7	-20.3	0	0	0	120.6
132	S	28.9	Very low	26.2	Very low	108 Å²	108	130.9 Å²	130.9	76%	0.755	74%	0.744	S	S	*	*			trans	-50	130.8	150.8	49.8	0	0	0	0	112.9
133	A	24.6	Very low	26.3	Very low	89 Å²	89	128.6 Å²	128.6	74%	0.736	74%	0.744	S	S	*	*			trans	-136.4	112.6	159.4	0	0	0	0	0	107.5
134	H	23.1	Very low	26.7	Very low	156 Å²	156	128.6 Å²	128.6	72%	0.722	75%	0.748	S	S	*	*				69.4	113.7	83.6	-82	-69.6	0	0	0	111.7
135	T	26.5	Very low	26.9	Very low	111 Å²	111	128.1 Å²	128.1	68%	0.681	75%	0.748	S	S	*	*				27.9	90.3	84.3	44.2	0	0	0	0	113.4	V137	T135-V137 VanDerWaalsContact O-CG2 3.24Å; T135-V137 WeakPolarHBondContact O-CG2 3.47Å
136	A	25.1	Very low	27.4	Very low	106 Å²	106	129.1 Å²	129.1	88%	0.876	76%	0.758	S	S	*	*			trans	-79	101.5	138.5	0	0	0	0	0	105.6
137	V	24.6	Very low	27.5	Very low	102 Å²	102	129.6 Å²	129.6	62%	0.618	77%	0.765	S	S	*	*				70.8	100.3	65.5	172.6	0	0	0	0	111.7	T135	T135-V137 VanDerWaalsContact O-CG2 3.24Å; T135-V137 WeakPolarHBondContact O-CG2 3.47Å
138	E	27.1	Very low	28	Very low	179 Å²	179	131.5 Å²	131.5	84%	0.836	77%	0.774	S	S	*	*			trans	60.6	94.6	141.2	-62.4	169.9	-174.9	0	0	119.7
139	A	25.8	Very low	28	Very low	110 Å²	110	124.9 Å²	124.9	91%	0.909	77%	0.771	S	S	*	*				-155.5	127.2	113.1	0	0	0	0	0	109.5
140	G	28.7	Very low	28.3	Very low	76 Å²	76	124 Å²	124	78%	0.784	77%	0.771	S	S	*	*			cis	-171.6	-174.9	-3.8	0	0	0	0	0	113.2
141	D	27.3	Very low	28.3	Very low	156 Å²	156	126.1 Å²	126.1	83%	0.834	78%	0.775	S	S	*	*			trans	-55.6	130.6	168.7	178.5	28.8	0	0	0	112.7
142	D	33.1	Very low	28.6	Very low	163 Å²	163	126.7 Å²	126.7	87%	0.872	78%	0.778	S	S	*	*			trans	-171.3	112.2	148.5	-104.8	-28.6	0	0	0	107
143	G	30	Very low	28.7	Very low	65 Å²	65	126.1 Å²	126.1	67%	0.67	77%	0.774	S	S	*	*			trans	-98.6	-134.7	-168.7	0	0	0	0	0	116
144	V	31.1	Very low	29.1	Very low	129 Å²	129	130.3 Å²	130.3	78%	0.782	78%	0.783	S	S	*	*			trans	83.2	103.4	-180	-170.2	0	0	0	0	116
145	D	31.9	Very low	29.5	Very low	138 Å²	138	130.5 Å²	130.5	74%	0.738	79%	0.789	S	S	*	*			trans	34.5	131.8	135.7	-40.5	-22.5	0	0	0	120.9
146	M	35.2	Very low	29.8	Very low	189 Å²	189	134.3 Å²	134.3	93%	0.931	80%	0.799	S	S	*	*				-154.8	146.6	98.5	-81	-140.7	172.8	0	0	112.5
147	D	29.8	Very low	30.1	Very low	150 Å²	150	135.2 Å²	135.2	80%	0.802	80%	0.799	S	S	*	*			trans	-74.8	-165.1	174.9	-72.9	-68.5	0	0	0	113.8
148	I	34.6	Very low	30.2	Very low	152 Å²	152	133.7 Å²	133.7	78%	0.779	80%	0.804	S	S	*	*			trans	87.4	100.8	170.1	-48.9	163.2	0	0	0	112.2	V150	I148-V150 HydrophobicContact CG2-CG2 4.33Å
149	G	26.1	Very low	30.3	Very low	73 Å²	73	131.8 Å²	131.8	75%	0.753	81%	0.805	S	S	*	*			cis	87.1	89.4	6.7	0	0	0	0	0	112.6
150	V	31.4	Very low	30.5	Very low	123 Å²	123	134 Å²	134	75%	0.745	80%	0.8	S	S	*	*			trans	-132.8	110.7	170.3	-179.2	0	0	0	0	109	I148 L152	I148-V150 HydrophobicContact CG2-CG2 4.33Å; V150-L152 HydrophobicContact CG1-CG 4.42Å
151	D	26.3	Very low	30.3	Very low	128 Å²	128	139.7 Å²	139.7	68%	0.684	81%	0.806	S	S	*	*			trans	-69.8	140.1	165.1	172.7	23.7	0	0	0	109.9	S153	D151-S153 PolarHBondContact OD1-N 3.38Å
152	L	28.9	Very low	30.4	Very low	157 Å²	157	136.6 Å²	136.6	82%	0.822	80%	0.802	S	S	*	*			trans	-138.5	86.4	167	-78.5	-177.5	0	0	0	109.1	V150	V150-L152 HydrophobicContact CG1-CG 4.42Å
153	S	31.2	Very low	30.2	Very low	96 Å²	96	135 Å²	135	67%	0.671	79%	0.79	S	S	*	*			trans	-63.3	141.9	169.1	-0.4	0	0	0	0	110.8	D151	D151-S153 PolarHBondContact OD1-N 3.38Å
154	L	33	Very low	30.2	Very low	177 Å²	177	136.1 Å²	136.1	93%	0.927	79%	0.787	S	S	*	*			trans	-77.4	148	173.8	-66.9	163.9	0	0	0	111
155	D	32.3	Very low	30.2	Very low	161 Å²	161	132.6 Å²	132.6	86%	0.861	77%	0.771	S	S	*	*			trans	-108	158.2	162.7	67.3	-30.2	0	0	0	112.4
156	E	33.2	Very low	30	Very low	191 Å²	191	133 Å²	133	89%	0.893	77%	0.773	S	S	*	*			trans	-126.1	107.6	-156.7	-177.4	-170.2	-172.2	0	0	111.8
157	S	31	Very low	29.7	Very low	125 Å²	125	128.2 Å²	128.2	87%	0.874	76%	0.764	S	S	*	*			trans	-178.6	144.4	149.6	34.7	0	0	0	0	110.5
158	G	26.8	Very low	29.5	Very low	70 Å²	70	127.3 Å²	127.3	72%	0.722	76%	0.764	S	S	*	*			trans	-118.6	-169.6	-173.3	0	0	0	0	0	114.8
159	V	29.1	Very low	29.2	Very low	139 Å²	139	124.5 Å²	124.5	84%	0.842	76%	0.758	S	S	*	*			trans	75.1	127.3	177.7	-177.1	0	0	0	0	114.1
160	L	28.9	Very low	29.3	Very low	155 Å²	155	127.1 Å²	127.1	81%	0.812	76%	0.759	S	S	*	*			cis	-166.5	151.4	-14.9	-108.8	-179.5	0	0	0	106.4
161	E	25.8	Very low	29.2	Very low	197 Å²	197	125.7 Å²	125.7	92%	0.921	76%	0.755	S	S	*	*			trans	-169	160.4	141	-117	172.1	-150.3	0	0	113.7
162	A	29.6	Very low	29.3	Very low	90 Å²	90	125.9 Å²	125.9	74%	0.744	76%	0.756	S	S	*	*			trans	-109.3	-171.7	173.5	0	0	0	0	0	109
163	E	28.4	Very low	29.2	Very low	131 Å²	131	125.5 Å²	125.5	61%	0.612	75%	0.754	S	S	*	*			cis	-172	151.5	27.7	-159.1	-166.3	-170.8	0	0	111.3
164	S	29.4	Very low	29.1	Very low	88 Å²	88	125 Å²	125	62%	0.615	76%	0.756	S	S	*	*			trans	69.5	160.9	151.9	92.5	0	0	0	0	118.9
165	A	32	Very low	29	Very low	54 Å²	54	124 Å²	124	45%	0.446	75%	0.751	S	S	.	*			cis	-175.1	152.4	-25.4	0	0	0	0	0	110.8	K228	A165-K228 HydrophobicContact CB-CD 4.35Å; A165-K228 PolarHBondContact O-NZ 3.49Å
166	N	27.5	Very low	28.8	Very low	147 Å²	147	122.7 Å²	122.7	79%	0.786	74%	0.744	S	S	*	*			trans	42.1	134.1	155.9	-57.5	3.2	0	0	0	118.8	K228	N166-K228 PolarHBondContact O-NZ 2.91Å
167	A	27.8	Very low	28.7	Very low	89 Å²	89	117.9 Å²	117.9	74%	0.736	73%	0.731	S	S	*	*				-165.9	165.3	51.7	0	0	0	0	0	117.2
168	T	27	Very low	28.6	Very low	131 Å²	131	121.5 Å²	121.5	80%	0.804	73%	0.731	S	S	*	*			trans	-34.4	159.2	149.6	41.7	0	0	0	0	116.5
169	S	28.5	Very low	28.8	Very low	93 Å²	93	124 Å²	124	65%	0.65	74%	0.738	S	S	*	*			cis	-179.4	166.7	-0.6	46.7	0	0	0	0	111.9
170	V	28.1	Very low	28.8	Very low	127 Å²	127	122.6 Å²	122.6	77%	0.77	73%	0.734	S	S	*	*			trans	64.2	145.5	167.2	-117.5	0	0	0	0	115.1
171	S	28.8	Very low	29.6	Very low	94 Å²	94	119.9 Å²	119.9	66%	0.657	73%	0.726	S	S	*	*			cis	-148.8	158.8	14.1	-43.9	0	0	0	0	115.1
172	D	27.7	Very low	29.9	Very low	132 Å²	132	118.4 Å²	118.4	71%	0.706	72%	0.719	S	S	*	*			trans	59.5	115.7	138.4	-63.3	-4.5	0	0	0	124.2
173	N	28.3	Very low	29.9	Very low	148 Å²	148	119.7 Å²	119.7	79%	0.791	71%	0.713	S	S	*	*				79.8	125.8	126.6	-70	-38.5	0	0	0	123.7
174	A	28.3	Very low	30.1	Very low	85 Å²	85	119.1 Å²	119.1	70%	0.702	72%	0.719	S	S	*	*			trans	85.6	111.8	133.4	0	0	0	0	0	122.1
175	L	30	Very low	30.9	Very low	158 Å²	158	120.4 Å²	120.4	83%	0.827	73%	0.725	S	S	*	*			trans	72.7	127.4	132.4	-62.5	173.4	0	0	0	122
176	D	28.9	Very low	30.9	Very low	133 Å²	133	122.9 Å²	122.9	71%	0.711	75%	0.745	S	S	*	*			trans	73.3	115.6	137.9	-92.1	-60.7	0	0	0	124.5
177	S	31.6	Very low	30.9	Very low	90 Å²	90	119 Å²	119	63%	0.629	74%	0.74	S	S	*	*				62.3	108.5	122.1	-69.8	0	0	0	0	122.8
178	K	29	Very low	31.1	Very low	200 Å²	200	126.3 Å²	126.3	87%	0.87	75%	0.749	S	S	*	*			trans	83.2	151.1	135.2	-69.9	-177.7	176.1	176.9	0	121.5
179	S	29.6	Very low	31.1	Very low	123 Å²	123	126 Å²	126	86%	0.86	75%	0.747	S	S	*	*			trans	90	126.6	156.8	69.9	0	0	0	0	119.2
180	S	28.8	Very low	31.1	Very low	109 Å²	109	125.5 Å²	125.5	76%	0.762	75%	0.748	S	S	*	*			trans	-93.7	-172.6	163.6	56.6	0	0	0	0	108.1
181	P	46.8	Very low	31.1	Very low	99 Å²	99	129.1 Å²	129.1	64%	0.643	76%	0.757	S	S	*	*			cis	-146.8	-165.1	13.1	44.2	-23.1	0	0	0	116.5
182	Q	31.4	Very low	31	Very low	166 Å²	166	127.9 Å²	127.9	78%	0.776	76%	0.759	S	S	*	*			trans	72.8	151.9	149	-77.6	-159.7	-68.3	0	0	120.3
183	D	30.4	Very low	31.1	Very low	116 Å²	116	131 Å²	131	62%	0.62	77%	0.769	S	S	*	*			cis	-174.2	174.3	-22.7	-153.9	-22	0	0	0	110.9
184	V	33.1	Very low	31.1	Very low	120 Å²	120	127.8 Å²	127.8	73%	0.727	76%	0.764	S	S	*	*			trans	66.9	159.3	157.8	-100	0	0	0	0	120.6
185	P	46.1	Very low	31.1	Very low	115 Å²	115	131.3 Å²	131.3	75%	0.747	77%	0.771	S	S	*	*				-147.7	-169	-110.5	48.4	-28	0	0	0	119.2
186	A	31.1	Very low	31.1	Very low	106 Å²	106	127.4 Å²	127.4	88%	0.876	76%	0.761	S	S	*	*			trans	80.7	146.2	135.4	0	0	0	0	0	123.9
187	G	27.6	Very low	31	Very low	66 Å²	66	128.1 Å²	128.1	68%	0.68	76%	0.763	S	S	*	*			trans	149.5	99.9	170	0	0	0	0	0	109.7
188	R	31.3	Very low	30.7	Very low	242 Å²	242	131.2 Å²	131.2	91%	0.913	77%	0.768	S	S	*	*				51.6	129.7	70.3	-69.6	-170.1	179.9	-168.8	1.4	112.1
189	T	27.1	Very low	30.5	Very low	124 Å²	124	127.1 Å²	127.1	76%	0.761	76%	0.76	S	S	*	*			cis	-157.6	136.9	16.9	5.6	0	0	0	0	107.4
190	A	29.9	Very low	30.1	Very low	83 Å²	83	127 Å²	127	69%	0.686	76%	0.758	S	S	*	*				79.8	152.4	82.9	0	0	0	0	0	116
191	E	27.3	Very low	29.9	Very low	202 Å²	202	126.1 Å²	126.1	94%	0.944	75%	0.752	S	S	*	*			trans	67.6	147.3	177.3	-58.3	174.3	-173.6	0	0	116.1
192	G	27.5	Very low	28.9	Very low	69 Å²	69	127.9 Å²	127.9	71%	0.711	76%	0.76	S	S	*	*			cis	173.5	156	-9	0	0	0	0	0	114.1
193	Q	28.4	Very low	28.6	Very low	197 Å²	197	129.6 Å²	129.6	92%	0.921	77%	0.768	S	S	*	*			trans	61.4	112.6	160	-67.3	-172.1	-15.5	0	0	121.8
194	A	28.9	Very low	28.5	Very low	81 Å²	81	128.4 Å²	128.4	67%	0.669	78%	0.775	S	S	*	*				83.3	133.6	118.6	0	0	0	0	0	122.1
195	N	28.6	Very low	28.2	Very low	159 Å²	159	128.4 Å²	128.4	85%	0.85	78%	0.78	S	S	*	*			trans	56.7	133.8	133.8	-70.3	-1.3	0	0	0	120.8
196	A	28.8	Very low	27.4	Very low	76 Å²	76	127.1 Å²	127.1	63%	0.628	78%	0.78	S	S	*	*			cis	-171	-165.3	-1.7	0	0	0	0	0	110.4
197	I	27.3	Very low	27.4	Very low	147 Å²	147	126.6 Å²	126.6	75%	0.754	78%	0.775	S	S	*	*			trans	80.9	95.9	145.5	-77.6	165	0	0	0	116.6
198	Q	26.7	Very low	27.4	Very low	155 Å²	155	129.5 Å²	129.5	72%	0.724	78%	0.775	S	S	*	*				97.7	95.4	107.9	-165.9	160.9	-3.2	0	0	120.1
199	T	23.4	Very low	27.3	Very low	115 Å²	115	125.6 Å²	125.6	71%	0.706	77%	0.767	S	S	*	*			trans	54.8	107.8	136	66.1	0	0	0	0	121.1
200	C	22.2	Very low	27.4	Very low	120 Å²	120	124.4 Å²	124.4	81%	0.811	77%	0.77	S	S	*	*				79.6	160.2	109.7	-152.2	0	0	0	0	120.2
201	S	24.2	Very low	27.2	Very low	91 Å²	91	123.7 Å²	123.7	64%	0.636	77%	0.771	S	S	*	*			trans	89.1	104.8	161	-56.9	0	0	0	0	118.3
202	T	24.9	Very low	27.3	Very low	135 Å²	135	122.6 Å²	122.6	83%	0.828	77%	0.77	S	S	*	*			trans	56.5	130.3	130.2	61.2	0	0	0	0	120
203	E	25.7	Very low	27.2	Very low	202 Å²	202	130.2 Å²	130.2	94%	0.944	78%	0.779	S	S	*	*			trans	-141.8	155.9	134.1	-141.2	165.9	-129.9	0	0	110.8
204	A	27.7	Very low	28.1	Very low	91 Å²	91	125.9 Å²	125.9	75%	0.752	77%	0.768	S	S	*	*			trans	-151.3	125.8	-176.7	0	0	0	0	0	112.7
205	S	27.8	Very low	28	Very low	120 Å²	120	129.4 Å²	129.4	84%	0.839	78%	0.775	S	S	*	*			trans	75.9	128	147.4	-144.9	0	0	0	0	121.4
206	A	30.1	Very low	28	Very low	89 Å²	89	127.6 Å²	127.6	74%	0.736	77%	0.77	S	S	*	*			trans	87.6	128.5	134.8	0	0	0	0	0	123
207	A	29.6	Very low	28	Very low	94 Å²	94	133.2 Å²	133.2	78%	0.777	78%	0.783	S	S	*	*			trans	72.4	157.5	147.6	0	0	0	0	0	118
208	D	27.7	Very low	28.1	Very low	127 Å²	127	135.7 Å²	135.7	68%	0.679	79%	0.791	S	S	*	*			cis	-151.6	161.7	3.7	-149.9	-12.5	0	0	0	113.7
209	Q	29.7	Very low	28.1	Very low	160 Å²	160	132.1 Å²	132.1	75%	0.748	80%	0.796	S	S	*	*			trans	36.1	126.1	150	-88.9	163.5	84.7	0	0	125.1
210	A	28.5	Very low	28.3	Very low	99 Å²	99	135.9 Å²	135.9	82%	0.818	81%	0.805	S	S	*	*				80.3	128.2	122.5	0	0	0	0	0	123.4
211	G	27.2	Very low	28.6	Very low	69 Å²	69	137.6 Å²	137.6	71%	0.711	80%	0.801	S	S	*	*				129.1	115	121.6	0	0	0	0	0	120.2
212	L	29.3	Very low	28.9	Very low	179 Å²	179	140.3 Å²	140.3	94%	0.937	80%	0.802	S	S	*	*			trans	70.5	130.5	145.9	-60	165.9	0	0	0	121.3
213	Y	25.3	Very low	29.1	Very low	228 Å²	228	142.6 Å²	142.6	89%	0.894	80%	0.803	S	S	*	*			trans	-94.6	-179.8	165.2	-82.8	-90.1	0	0	0	110.8
214	P	47	Very low	29.4	Very low	107 Å²	107	142.1 Å²	142.1	70%	0.695	80%	0.798	S	S	*	*			cis	-134	-171.9	-4.8	28.3	-4.5	0	0	0	115.5
215	L	25.9	Very low	30.1	Very low	154 Å²	154	146.4 Å²	146.4	81%	0.806	80%	0.802	S	S	*	*				114.1	101.7	129.8	-150.4	77.2	0	0	0	120
216	V	28.8	Very low	30.5	Very low	122 Å²	122	146.5 Å²	146.5	74%	0.739	80%	0.802	S	S	*	*			trans	40.8	119.4	136.7	-171.5	0	0	0	0	121.1
217	E	28.5	Very low	30.9	Very low	194 Å²	194	145.7 Å²	145.7	91%	0.907	80%	0.803	S	S	*	*				-163	171.2	114.1	-111.2	-178.7	-168.1	0	0	111.6
218	E	30.4	Very low	31.7	Very low	199 Å²	199	147.2 Å²	147.2	93%	0.93	79%	0.792	S	S	*	*			trans	-100.2	153.5	-168.2	-58	178.4	133.5	0	0	113.5
219	G	26.9	Very low	32.6	Very low	79 Å²	79	152 Å²	152	81%	0.814	80%	0.8	S	S	*	*			trans	179.9	130.3	173.7	0	0	0	0	0	114.7
220	E	26.8	Very low	33.4	Very low	194 Å²	194	148.1 Å²	148.1	91%	0.907	79%	0.788	S	S	*	*			trans	-71.2	146.5	-171.4	-52.3	171.9	120.3	0	0	115
221	E	27.8	Very low	34.3	Very low	156 Å²	156	149.1 Å²	149.1	73%	0.729	78%	0.784	S	S	*	*				164.8	177.7	126.1	-89.6	-92.2	82	0	0	112.9
222	K	31	Very low	35.4	Very low	149 Å²	149	154 Å²	154	65%	0.648	79%	0.786	S	S	*	*			trans	-79.3	165.3	-157.4	-52.3	172.3	-170.2	68.7	0	116.8
223	H	30.1	Very low	36.2	Very low	183 Å²	183	151 Å²	151	85%	0.847	78%	0.777	S	S	*	*			trans	96.1	141.7	153.1	-73.1	-72	0	0	0	121.5
224	K	31.2	Very low	37.3	Very low	192 Å²	192	145.8 Å²	145.8	84%	0.835	77%	0.774	S	S	*	*			trans	96.1	141.7	149.1	-139.7	172.1	-173.4	-178.3	0	117.4
225	Q	42.8	Very low	37.6	Very low	181 Å²	181	143 Å²	143	85%	0.846	77%	0.765	S	S	*	*			trans	-73.5	148.9	-177.3	-57.8	121.3	-60.9	0	0	111.9
226	S	36.5	Very low	38.9	Very low	121 Å²	121	143.5 Å²	143.5	85%	0.846	77%	0.768	S	S	*	*			trans	-145.7	145.6	161.4	55.9	0	0	0	0	109.9
227	G	38.3	Very low	39.9	Very low	73 Å²	73	145.3 Å²	145.3	75%	0.753	77%	0.774	S	S	*	*			trans	-76.9	160.5	-171.3	0	0	0	0	0	114.5	R229	G227-R229 PolarHBondContact O-N 3.34Å
228	K	46.7	Very low	41	Very low	126 Å²	126	142 Å²	142	55%	0.548	76%	0.761	S	S	.	*			trans	-67.4	109.4	171.3	-65.2	165.3	-175.1	167.1	0	108.3	A165 N166 V230	A165-K228 HydrophobicContact CB-CD 4.35Å; A165-K228 PolarHBondContact O-NZ 3.49Å; N166-K228 PolarHBondContact O-NZ 2.91Å; K228-V230 PolarHBondContact O-N 2.83Å
229	R	46.9	Very low	41.9	Very low	226 Å²	226	138.7 Å²	138.7	85%	0.853	75%	0.754	S	S	*	*			trans	-80.1	111.9	178.3	179.2	-176.4	-73.6	-132.1	-0.1	110.6	G227	G227-R229 PolarHBondContact O-N 3.34Å
230	V	44.8	Very low	42.7	Very low	80 Å²	80	139.6 Å²	139.6	49%	0.485	75%	0.748	S	S	.	*			trans	-66.7	142	166.3	-178.7	0	0	0	0	109.7	K228 F232	K228-V230 PolarHBondContact O-N 2.83Å; V230-F232 HydrophobicContact CG1-CD2 4.37Å; V230-F232 HydrophobicContact CG1-CE2 3.98Å; V230-F232 HydrophobicContact CG1-CZ 4.14Å
231	T	48.3	Very low	43.4	Very low	119 Å²	119	133.8 Å²	133.8	73%	0.73	74%	0.741	S	S	*	*			trans	-129.4	112.9	174.6	-53.5	0	0	0	0	108.5
232	F	50.6	Low	44.3	Very low	172 Å²	172	130.3 Å²	130.3	75%	0.754	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-77.2	146.9	173.9	-67.4	-84.2	0	0	0	110.3	V230	V230-F232 HydrophobicContact CG1-CD2 4.37Å; V230-F232 HydrophobicContact CG1-CE2 3.98Å; V230-F232 HydrophobicContact CG1-CZ 4.14Å
233	P	45.9	Very low	45	Very low	115 Å²	115	129.1 Å²	129.1	75%	0.747	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-55.3	141.1	169.3	-24	34.6	0	0	0	111.3	G235	P233-G235 PolarHBondContact O-N 3.12Å
234	S	48.1	Very low	46.1	Very low	120 Å²	120	126.9 Å²	126.9	84%	0.839	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-63.2	126	171.5	49.7	0	0	0	0	109.6	D236	S234-D236 PolarHBondContact O-N 3.11Å
235	G	54.1	Low	47.3	Very low	49 Å²	49	120.1 Å²	120.1	51%	0.505	71%	0.709	S	S	.	*	S	Bend	trans	-61.5	121.9	-167.6	0	0	0	0	0	114.5	P233	P233-G235 PolarHBondContact O-N 3.12Å
236	D	52.6	Low	48.1	Very low	163 Å²	163	121.9 Å²	121.9	87%	0.872	71%	0.714	S	S	*	*	S	Bend	trans	-156.2	-31.8	133.8	-95.9	-25.7	0	0	0	108.5	S234 I238	S234-D236 PolarHBondContact O-N 3.11Å; D236-I238 PolarHBondContact O-N 3.22Å; D236-I238 VanDerWaalsContact O-N 3.09Å
237	D	50.3	Low	49.7	Very low	161 Å²	161	118.5 Å²	118.5	86%	0.861	69%	0.686	S	S	*	*	S	Bend	trans	-81.1	43.4	166.2	-69.8	-47.4	0	0	0	113.2	V239	D237-V239 PolarHBondContact O-N 3.41Å
238	I	50.1	Low	51	Low	125 Å²	125	116.4 Å²	116.4	64%	0.641	66%	0.659	S	S	*	*			trans	-75.8	118.6	166	-64.4	179.2	0	0	0	107.5	D236 S240	D236-I238 PolarHBondContact O-N 3.22Å; D236-I238 VanDerWaalsContact O-N 3.09Å; I238-S240 PolarHBondContact O-N 3.13Å
239	V	50.7	Low	52.3	Low	128 Å²	128	112.7 Å²	112.7	78%	0.776	64%	0.642	S	S	*	*			trans	-74.3	70.4	-180	-170.7	0	0	0	0	110.8	D237 G241	D237-V239 PolarHBondContact O-N 3.41Å; V239-G241 VanDerWaalsContact C-N 3.26Å
240	S	42.6	Very low	53.1	Low	98 Å²	98	109 Å²	109	69%	0.685	63%	0.628	S	S	*	*			trans	-82.7	-3.8	167.2	56.6	0	0	0	0	112.6	I238 A242	I238-S240 PolarHBondContact O-N 3.13Å; S240-A242 PolarHBondContact O-N 3.39Å
241	G	42.7	Very low	53.8	Low	73 Å²	73	110.8 Å²	110.8	75%	0.753	63%	0.631	S	S	*	*			trans	-76.9	7.4	-179.3	0	0	0	0	0	115.9	V239 V243	V239-G241 VanDerWaalsContact C-N 3.26Å; G241-V243 PolarHBondContact O-N 3.35Å
242	A	45.2	Very low	54.5	Low	82 Å²	82	106 Å²	106	68%	0.678	60%	0.604	S	S	*	*			trans	-90.8	36.1	174.4	0	0	0	0	0	112.5	S240 E244	S240-A242 PolarHBondContact O-N 3.39Å; A242-E244 PolarHBondContact O-N 3.43Å
243	V	46.4	Very low	55.1	Low	124 Å²	124	104.8 Å²	104.8	75%	0.752	60%	0.6	S	S	*	*			trans	-76.6	103.1	161.8	178.7	0	0	0	0	106.6	G241	G241-V243 PolarHBondContact O-N 3.35Å
244	E	53.3	Low	56.2	Low	137 Å²	137	106.8 Å²	106.8	64%	0.64	61%	0.605	S	S	*	*			trans	-51.2	134.6	177.5	-76.3	175.9	-179.4	0	0	111	A242 K246 Y344	A242-E244 PolarHBondContact O-N 3.43Å; E244-K246 PolarHBondContact O-N 2.89Å; E244-Y344 HydrophobicContact CB-CE2 4.27Å; E244-Y344 WeakPolarHBondContact OE2-CE2 3.07Å
245	P	57.1	Low	57.7	Low	50 Å²	50	102.6 Å²	102.6	33%	0.325	57%	0.574	S	S	.	*			trans	-60.7	132.9	-176.2	-25.5	35.1	0	0	0	112.2	D247 Y344	P245-D247 WeakPolarHBondContact CB-O 3.19Å; P245-D247 PolarHBondContact O-N 2.88Å; P245-Y344 PolarHBondContact O-OH 3.1Å
246	K	59.7	Low	59.4	Low	217 Å²	217	103.2 Å²	103.2	94%	0.943	57%	0.568	S	S	*	*	S	Bend	trans	-60.9	3	171.7	-66.3	-166.9	174.8	-168.4	0	115.4	E244	E244-K246 PolarHBondContact O-N 2.89Å
247	D	68.6	Low	61.2	Low	51 Å²	51	96.7 Å²	96.7	27%	0.273	53%	0.534	S	S	.	.	S	Bend	trans	-147	102.3	176.4	159.8	18.7	0	0	0	104.2	P245 W249 R250	P245-D247 WeakPolarHBondContact CB-O 3.19Å; P245-D247 PolarHBondContact O-N 2.88Å; D247-W249 PolarHBondContact O-N 3.24Å; D247-W249 PolarHBondContact OD1-N 3.35Å; D247-W249 VanDerWaalsContact OD1-N 3.07Å; D247-R250 HydrophobicContact CB-CG 4.08Å; D247-R250 WeakPolarHBondContact O-CG 3.15Å; D247-R250 VanDerWaalsContact OD2-CG 3.23Å; D247-R250 WeakPolarHBondContact OD2-CG 3.28Å; D247-R250 IonicContact OD2-CZ 2.73Å; D247-R250 IonicContact OD2-NE 2.83Å; D247-R250 IonicContact OD2-NH2 3.39Å
248	P	66.9	Low	63.1	Low	28 Å²	28	95.5 Å²	95.5	18%	0.182	52%	0.523	C	S	.	.	G	3₁₀ helix	trans	-71	-17.9	-174.3	31.1	-36.7	0	0	0	111.7	R250 Y344 Y345	P248-R250 VanDerWaalsContact C-N 3.34Å; P248-R250 PolarHBondContact O-N 3.45Å; P248-Y344 HydrophobicContact CB-CD1 4.08Å; P248-Y344 HydrophobicContact CB-CE1 3.49Å; P248-Y344 VanDerWaalsContact CB-CE1 3.49Å; P248-Y344 WeakPolarHBondContact CG-O 3.23Å; P248-Y345 HydrophobicContact CB-CD1 3.75Å; P248-Y345 HydrophobicContact CB-CE1 3.98Å
249	W	74.3	Confident	65.1	Low	49 Å²	49	94.2 Å²	94.2	19%	0.186	51%	0.514	C	S	.	.	G	3₁₀ helix	trans	-85.7	1.8	-175.8	-68.1	103.7	0	0	0	114.3	D247 H251 A252 L315 Q319 Y345	D247-W249 PolarHBondContact O-N 3.24Å; D247-W249 PolarHBondContact OD1-N 3.35Å; D247-W249 VanDerWaalsContact OD1-N 3.07Å; W249-H251 PolarHBondContact O-N 3.02Å; W249-A252 HydrophobicContact CE3-CB 3.67Å; W249-A252 HydrophobicContact CZ3-CB 4.2Å; W249-A252 WeakPolarHBondContact O-CB 3.47Å; W249-A252 PolarHBondContact O-N 3.35Å; W249-L315 WeakPolarHBondContact CH2-O 2.81Å; W249-Q319 HydrophobicContact CH2-CB 4.4Å; W249-Q319 HydrophobicContact CH2-CG 3.33Å; W249-Q319 HydrophobicContact CZ2-CG 3.29Å; W249-Q319 HydrophobicContact CZ3-CG 4.01Å; W249-Y345 WeakPolarHBondContact CZ2-O 3.22Å; W249-Y345 PolarHBondContact NE1-O 3.3Å
250	R	62.2	Low	67.1	Low	147 Å²	147	88.1 Å²	88.1	56%	0.555	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-52	-29.2	174.4	-72.9	-179.3	-168.9	-69.9	-16.3	114.4	D247 P248	D247-R250 HydrophobicContact CB-CG 4.08Å; D247-R250 WeakPolarHBondContact O-CG 3.15Å; D247-R250 VanDerWaalsContact OD2-CG 3.23Å; D247-R250 WeakPolarHBondContact OD2-CG 3.28Å; D247-R250 IonicContact OD2-CZ 2.73Å; D247-R250 IonicContact OD2-NE 2.83Å; D247-R250 IonicContact OD2-NH2 3.39Å; P248-R250 VanDerWaalsContact C-N 3.34Å; P248-R250 PolarHBondContact O-N 3.45Å
251	H	60.2	Low	69.5	Low	118 Å²	118	84.2 Å²	84.2	55%	0.546	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-92.9	1.8	-177.7	-58.8	112.6	0	0	0	114.5	W249 V255	W249-H251 PolarHBondContact O-N 3.02Å; H251-V255 WeakPolarHBondContact O-CG2 3.4Å
252	A	63.3	Low	72	Confident	20 Å²	20	84 Å²	84	17%	0.165	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-13.6	179.6	0	0	0	0	0	113.9	W249 N254	W249-A252 HydrophobicContact CE3-CB 3.67Å; W249-A252 HydrophobicContact CZ3-CB 4.2Å; W249-A252 WeakPolarHBondContact O-CB 3.47Å; W249-A252 PolarHBondContact O-N 3.35Å; A252-N254 PolarHBondContact O-N 3.25Å
253	Q	63.6	Low	74.3	Confident	145 Å²	145	81.5 Å²	81.5	68%	0.678	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	124.7	-179.1	-62.7	-173	5.2	0	0	111.5	V255	Q253-V255 VanDerWaalsContact C-N 3.32Å; Q253-V255 PolarHBondContact O-N 2.96Å
254	N	67.6	Low	76.6	Confident	158 Å²	158	75.7 Å²	75.7	85%	0.845	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	19.3	175.1	-45.6	-66.9	0	0	0	116.6	A252	A252-N254 PolarHBondContact O-N 3.25Å
255	V	81.2	Confident	78.6	Confident	32 Å²	32	73.2 Å²	73.2	19%	0.194	37%	0.365	C	S	.	.			trans	-78.5	141.4	175.7	-166.9	0	0	0	0	110.9	H251 Q253 E259 I260 L289	H251-V255 WeakPolarHBondContact O-CG2 3.4Å; Q253-V255 VanDerWaalsContact C-N 3.32Å; Q253-V255 PolarHBondContact O-N 2.96Å; V255-E259 HydrophobicContact CG1-CB 3.76Å; V255-I260 HydrophobicContact CG1-CG1 3.91Å; V255-L289 VanDerWaalsContact O-CD1 3.29Å; V255-L289 WeakPolarHBondContact O-CD1 3.49Å
256	T	88.8	Confident	80.4	Confident	62 Å²	62	76.9 Å²	76.9	38%	0.38	38%	0.378	S	S	.	.			trans	-89.4	158.7	175.7	61.6	0	0	0	0	113.1	E258 E259 I260	T256-E258 VanDerWaalsContact C-N 3.26Å; T256-E258 PolarHBondContact O-N 2.83Å; T256-E259 WeakPolarHBondContact CB-OE2 3.5Å; T256-E259 PolarHBondContact N-OE2 2.94Å; T256-E259 PolarHBondContact O-N 3.33Å; T256-E259 WeakPolarHBondContact OG1-CB 3.44Å; T256-E259 WeakPolarHBondContact OG1-CG 3.49Å; T256-E259 PolarHBondContact OG1-N 3.18Å; T256-E259 PolarHBondContact OG1-OE2 2.97Å; T256-I260 WeakPolarHBondContact O-CG1 3.21Å; T256-I260 PolarHBondContact O-N 3.27Å; T256-I260 VanDerWaalsContact O-N 3.11Å
257	V	90.9	Very high	82.1	Confident	25 Å²	25	67.2 Å²	67.2	15%	0.152	34%	0.339	C	S	.	.	H	α-helix	trans	-59.7	-39.6	174.2	170.9	0	0	0	0	110.9	E259 I260 L261 I283 L289	V257-E259 PolarHBondContact O-N 3.37Å; V257-I260 PolarHBondContact O-N 3.16Å; V257-L261 HydrophobicContact CG1-CD1 3.81Å; V257-L261 HydrophobicContact CG1-CG 4.35Å; V257-L261 WeakPolarHBondContact O-CB 3.46Å; V257-L261 VanDerWaalsContact O-CG 3.28Å; V257-L261 WeakPolarHBondContact O-CG 3.4Å; V257-L261 PolarHBondContact O-N 3.34Å; V257-I283 HydrophobicContact CG1-CG2 4.42Å; V257-I283 VanDerWaalsContact CG1-O 3.22Å; V257-I283 WeakPolarHBondContact CG1-O 3.36Å; V257-L289 HydrophobicContact CG2-CD1 4Å; V257-L289 HydrophobicContact CG2-CD2 4.4Å
258	E	90.7	Very high	83.4	Confident	137 Å²	137	64.8 Å²	64.8	64%	0.64	33%	0.326	S	S	*	.	H	α-helix	trans	-61.4	-41	176.5	-70.3	72.7	-165.5	0	0	112.5	T256 S262	T256-E258 VanDerWaalsContact C-N 3.26Å; T256-E258 PolarHBondContact O-N 2.83Å; E258-S262 VanDerWaalsContact O-CB 3.26Å; E258-S262 WeakPolarHBondContact O-CB 3.28Å; E258-S262 PolarHBondContact O-N 2.89Å
259	E	91.6	Very high	84.7	Confident	97 Å²	97	70.6 Å²	70.6	45%	0.453	35%	0.35	S	S	.	.	H	α-helix	trans	-66.8	-45.6	175.9	-75.6	162.8	138.7	0	0	111.6	V255 T256 V257 L261 S262 S263	V255-E259 HydrophobicContact CG1-CB 3.76Å; T256-E259 WeakPolarHBondContact CB-OE2 3.5Å; T256-E259 PolarHBondContact N-OE2 2.94Å; T256-E259 PolarHBondContact O-N 3.33Å; T256-E259 WeakPolarHBondContact OG1-CB 3.44Å; T256-E259 WeakPolarHBondContact OG1-CG 3.49Å; T256-E259 PolarHBondContact OG1-N 3.18Å; T256-E259 PolarHBondContact OG1-OE2 2.97Å; V257-E259 PolarHBondContact O-N 3.37Å; E259-L261 PolarHBondContact O-N 3.4Å; E259-S262 WeakPolarHBondContact O-CB 3.39Å; E259-S262 PolarHBondContact O-N 3.36Å; E259-S262 VanDerWaalsContact O-N 3.12Å; E259-S263 WeakPolarHBondContact O-CB 3.26Å; E259-S263 PolarHBondContact O-N 2.89Å; E259-S263 PolarHBondContact O-OG 3.34Å
260	I	91.9	Very high	85.8	Confident	1 Å²	1	77 Å²	77	1%	0.005	38%	0.38	C	S	.	.	H	α-helix	trans	-59.2	-47.2	175.8	-61.7	168.5	0	0	0	110.3	V255 T256 V257 S262 S263 Y264 I283 L289 I314 R317 V318	V255-I260 HydrophobicContact CG1-CG1 3.91Å; T256-I260 WeakPolarHBondContact O-CG1 3.21Å; T256-I260 PolarHBondContact O-N 3.27Å; T256-I260 VanDerWaalsContact O-N 3.11Å; V257-I260 PolarHBondContact O-N 3.16Å; I260-S262 VanDerWaalsContact C-N 3.27Å; I260-S262 PolarHBondContact O-N 3.12Å; I260-S263 PolarHBondContact O-N 2.78Å; I260-Y264 VanDerWaalsContact O-CB 3.27Å; I260-Y264 WeakPolarHBondContact O-CB 3.36Å; I260-Y264 PolarHBondContact O-N 2.93Å; I260-I283 HydrophobicContact CB-CG2 4.3Å; I260-I283 HydrophobicContact CG2-CG2 3.85Å; I260-L289 HydrophobicContact CD1-CD1 3.75Å; I260-L289 HydrophobicContact CD1-CD2 4.05Å; I260-L289 HydrophobicContact CD1-CG 4.47Å; I260-I314 HydrophobicContact CG2-CG1 3.92Å; I260-R317 HydrophobicContact CD1-CB 4.26Å; I260-R317 HydrophobicContact CG1-CB 4.37Å; I260-V318 HydrophobicContact CD1-CG2 3.81Å
261	L	93.6	Very high	87.3	Confident	16 Å²	16	72 Å²	72	8%	0.084	36%	0.363	C	S	.	.	H	α-helix	trans	-64	-30.2	177.1	-72.8	171.8	0	0	0	112.9	V257 E259 K265 L280 I283 Q284	V257-L261 HydrophobicContact CG1-CD1 3.81Å; V257-L261 HydrophobicContact CG1-CG 4.35Å; V257-L261 WeakPolarHBondContact O-CB 3.46Å; V257-L261 VanDerWaalsContact O-CG 3.28Å; V257-L261 WeakPolarHBondContact O-CG 3.4Å; V257-L261 PolarHBondContact O-N 3.34Å; E259-L261 PolarHBondContact O-N 3.4Å; L261-K265 WeakPolarHBondContact O-CB 3.27Å; L261-K265 WeakPolarHBondContact O-CD 3.46Å; L261-K265 WeakPolarHBondContact O-CE 3.36Å; L261-K265 WeakPolarHBondContact O-CG 3.46Å; L261-K265 PolarHBondContact O-N 3.02Å; L261-L280 HydrophobicContact CD2-CD2 3.82Å; L261-I283 HydrophobicContact CD2-CB 3.87Å; L261-I283 HydrophobicContact CD2-CG2 3.83Å; L261-I283 HydrophobicContact CG-CB 4.46Å; L261-I283 HydrophobicContact CG-CG2 3.9Å; L261-Q284 HydrophobicContact CD1-CB 4.09Å; L261-Q284 HydrophobicContact CD1-CG 4.46Å
262	S	94.2	Very high	88.8	Confident	68 Å²	68	72.7 Å²	72.7	48%	0.476	37%	0.371	S	S	.	.	H	α-helix	trans	-74.1	-51.9	175.9	-168.6	0	0	0	0	111.2	E258 E259 I260 Y264 K265 Q266	E258-S262 VanDerWaalsContact O-CB 3.26Å; E258-S262 WeakPolarHBondContact O-CB 3.28Å; E258-S262 PolarHBondContact O-N 2.89Å; E259-S262 WeakPolarHBondContact O-CB 3.39Å; E259-S262 PolarHBondContact O-N 3.36Å; E259-S262 VanDerWaalsContact O-N 3.12Å; I260-S262 VanDerWaalsContact C-N 3.27Å; I260-S262 PolarHBondContact O-N 3.12Å; S262-Y264 PolarHBondContact O-N 3.18Å; S262-K265 PolarHBondContact O-N 3.42Å; S262-Q266 WeakPolarHBondContact O-CB 3.46Å; S262-Q266 PolarHBondContact O-N 3.37Å
263	S	93.6	Very high	90.3	Very high	30 Å²	30	72.7 Å²	72.7	21%	0.21	37%	0.37	C	S	.	.	H	α-helix	trans	-58.9	-43.5	177	-68.8	0	0	0	0	112.1	E259 I260 Q266 A267	E259-S263 WeakPolarHBondContact O-CB 3.26Å; E259-S263 PolarHBondContact O-N 2.89Å; E259-S263 PolarHBondContact O-OG 3.34Å; I260-S263 PolarHBondContact O-N 2.78Å; S263-Q266 PolarHBondContact O-N 2.8Å; S263-A267 WeakPolarHBondContact O-CB 3.43Å; S263-A267 PolarHBondContact O-N 2.67Å
264	Y	95.9	Very high	91.7	Very high	1 Å²	1	74.6 Å²	74.6	0%	0.004	38%	0.376	C	S	.	.	H	α-helix	trans	-59.3	-50.3	174.7	177.7	-115.1	0	0	0	111.9	I260 S262 Q266 A267 C268 P275 V276 V279 L280 S310 L311 I314	I260-Y264 VanDerWaalsContact O-CB 3.27Å; I260-Y264 WeakPolarHBondContact O-CB 3.36Å; I260-Y264 PolarHBondContact O-N 2.93Å; S262-Y264 PolarHBondContact O-N 3.18Å; Y264-Q266 VanDerWaalsContact C-N 3.28Å; Y264-Q266 PolarHBondContact O-N 3.13Å; Y264-A267 PolarHBondContact O-N 3.03Å; Y264-C268 PolarHBondContact O-N 2.72Å; Y264-C268 PolarHBondContact O-SG 3.04Å; Y264-P275 HydrophobicContact CE1-CB 3.88Å; Y264-V276 PolarHBondContact OH-N 2.77Å; Y264-V279 HydrophobicContact CD1-CG1 4.45Å; Y264-V279 HydrophobicContact CE1-CB 4.35Å; Y264-V279 HydrophobicContact CE1-CG1 4Å; Y264-L280 HydrophobicContact CD1-CD2 3.69Å; Y264-L280 HydrophobicContact CE1-CD2 3.93Å; Y264-L280 HydrophobicContact CE1-CG 4.33Å; Y264-S310 VanDerWaalsContact CD2-O 3.26Å; Y264-S310 WeakPolarHBondContact CD2-O 3.14Å; Y264-S310 WeakPolarHBondContact CE2-OG 3.3Å; Y264-L311 HydrophobicContact CE2-CD2 3.96Å; Y264-I314 HydrophobicContact CD1-CD1 4.35Å; Y264-I314 HydrophobicContact CD2-CD1 3.65Å; Y264-I314 HydrophobicContact CD2-CG1 4.18Å; Y264-I314 HydrophobicContact CE2-CD1 4.06Å; Y264-I314 HydrophobicContact CG-CD1 3.84Å; Y264-I314 HydrophobicContact CG-CG1 4.35Å
265	K	95.3	Very high	92.9	Very high	85 Å²	85	69.1 Å²	69.1	37%	0.37	35%	0.349	S	S	.	.	H	α-helix	trans	-61.3	-37	177	-71.5	166.3	-164.5	166.5	0	112.1	L261 S262 Q269 P275 L280	L261-K265 WeakPolarHBondContact O-CB 3.27Å; L261-K265 WeakPolarHBondContact O-CD 3.46Å; L261-K265 WeakPolarHBondContact O-CE 3.36Å; L261-K265 WeakPolarHBondContact O-CG 3.46Å; L261-K265 PolarHBondContact O-N 3.02Å; S262-K265 PolarHBondContact O-N 3.42Å; K265-Q269 VanDerWaalsContact O-CG 3.28Å; K265-Q269 WeakPolarHBondContact O-CG 3.45Å; K265-Q269 PolarHBondContact O-N 2.98Å; K265-P275 HydrophobicContact CG-CG 4.35Å; K265-L280 HydrophobicContact CD-CD2 4.44Å; K265-L280 VanDerWaalsContact CE-CD2 3.43Å; K265-L280 HydrophobicContact CG-CD2 4.13Å
266	Q	95.5	Very high	93.5	Very high	128 Å²	128	68.1 Å²	68.1	60%	0.598	34%	0.343	S	S	*	.	H	α-helix	trans	-68.6	-39.1	176.2	-171.9	178.7	3.3	0	0	111.9	S262 S263 Y264 Q269 K270	S262-Q266 WeakPolarHBondContact O-CB 3.46Å; S262-Q266 PolarHBondContact O-N 3.37Å; S263-Q266 PolarHBondContact O-N 2.8Å; Y264-Q266 VanDerWaalsContact C-N 3.28Å; Y264-Q266 PolarHBondContact O-N 3.13Å; Q266-Q269 PolarHBondContact O-N 2.7Å; Q266-K270 WeakPolarHBondContact O-CB 3.42Å; Q266-K270 PolarHBondContact O-N 2.98Å
267	A	94.9	Very high	93.7	Very high	14 Å²	14	69.5 Å²	69.5	12%	0.116	35%	0.353	C	S	.	.	H	α-helix	trans	-63.4	-46.4	173.6	0	0	0	0	0	111.3	S263 Y264 Q269 K270 L271 E313	S263-A267 WeakPolarHBondContact O-CB 3.43Å; S263-A267 PolarHBondContact O-N 2.67Å; Y264-A267 PolarHBondContact O-N 3.03Å; A267-Q269 VanDerWaalsContact C-N 3.3Å; A267-Q269 PolarHBondContact O-N 3.34Å; A267-K270 PolarHBondContact O-N 2.7Å; A267-K270 VanDerWaalsContact O-N 3.16Å; A267-L271 WeakPolarHBondContact O-CB 3.29Å; A267-L271 WeakPolarHBondContact O-CG 3.38Å; A267-L271 PolarHBondContact O-N 2.73Å; A267-E313 HydrophobicContact CB-CG 3.83Å
268	C	95.2	Very high	93.9	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-58.7	-41.6	175.1	-58.2	0	0	0	0	112.3	Y264 N272 C273 P275	Y264-C268 PolarHBondContact O-N 2.72Å; Y264-C268 PolarHBondContact O-SG 3.04Å; C268-N272 WeakPolarHBondContact O-CA 3.46Å; C268-N272 PolarHBondContact O-N 2.68Å; C268-C273 VanDerWaalsContact CA-SG 3.54Å; C268-C273 PolarHBondContact O-N 3.22Å; C268-P275 HydrophobicContact CB-CG 3.75Å
269	Q	95.4	Very high	94.1	Very high	150 Å²	150	64.8 Å²	64.8	70%	0.701	33%	0.328	S	S	*	.	H	α-helix	trans	-64	-43.8	174.9	-72.7	170.6	25.6	0	0	112.3	K265 Q266 A267 N272	K265-Q269 VanDerWaalsContact O-CG 3.28Å; K265-Q269 WeakPolarHBondContact O-CG 3.45Å; K265-Q269 PolarHBondContact O-N 2.98Å; Q266-Q269 PolarHBondContact O-N 2.7Å; A267-Q269 VanDerWaalsContact C-N 3.3Å; A267-Q269 PolarHBondContact O-N 3.34Å; Q269-N272 PolarHBondContact O-N 3.33Å
270	K	95.7	Very high	94.2	Very high	184 Å²	184	62.1 Å²	62.1	80%	0.8	32%	0.317	S	S	*	.	H	α-helix	trans	-62.3	-41.7	178	-178.2	-168.9	173.8	-163.7	0	112.1	Q266 A267 N272	Q266-K270 WeakPolarHBondContact O-CB 3.42Å; Q266-K270 PolarHBondContact O-N 2.98Å; A267-K270 PolarHBondContact O-N 2.7Å; A267-K270 VanDerWaalsContact O-N 3.16Å; K270-N272 VanDerWaalsContact C-N 3.31Å
271	L	93.5	Very high	94.3	Very high	40 Å²	40	67.9 Å²	67.9	21%	0.209	34%	0.342	C	S	.	.	H	α-helix	trans	-82.9	-9.5	-179.9	-62.2	173.4	0	0	0	112.9	A267 K306 E309	A267-L271 WeakPolarHBondContact O-CB 3.29Å; A267-L271 WeakPolarHBondContact O-CG 3.38Å; A267-L271 PolarHBondContact O-N 2.73Å; L271-K306 HydrophobicContact CB-CB 4.31Å; L271-K306 WeakPolarHBondContact CD1-O 3.33Å; L271-K306 WeakPolarHBondContact O-CD 3.4Å; L271-K306 WeakPolarHBondContact O-CE 3.49Å; L271-K306 PolarHBondContact O-NZ 3.1Å; L271-E309 HydrophobicContact CD1-CB 3.61Å; L271-E309 WeakPolarHBondContact CD2-OE2 3.36Å
272	N	93.3	Very high	94.4	Very high	134 Å²	134	68.9 Å²	68.9	72%	0.717	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	54.8	-173.4	-170.5	31.3	0	0	0	112.2	C268 Q269 K270	C268-N272 WeakPolarHBondContact O-CA 3.46Å; C268-N272 PolarHBondContact O-N 2.68Å; Q269-N272 PolarHBondContact O-N 3.33Å; K270-N272 VanDerWaalsContact C-N 3.31Å
273	C	93.3	Very high	94.3	Very high	20 Å²	20	65.7 Å²	65.7	14%	0.135	32%	0.324	C	S	.	.			trans	-125.6	172.5	168.8	67.8	0	0	0	0	110.3	C268 K306	C268-C273 VanDerWaalsContact CA-SG 3.54Å; C268-C273 PolarHBondContact O-N 3.22Å; C273-K306 HydrophobicContact CB-CB 3.76Å; C273-K306 PolarHBondContact SG-O 3.21Å; C273-K306 VanDerWaalsContact SG-O 3.36Å
274	K	93	Very high	94.3	Very high	184 Å²	184	71.1 Å²	71.1	80%	0.8	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-97	131	-179.6	-68.4	176.8	-178.5	173.1	0	110.1	V276	K274-V276 PolarHBondContact O-N 3.13Å
275	P	93.3	Very high	94.1	Very high	44 Å²	44	76.8 Å²	76.8	29%	0.286	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-56.4	129.8	171.4	-24	32.8	0	0	0	111.6	Y264 K265 C268 P277 L280	Y264-P275 HydrophobicContact CE1-CB 3.88Å; K265-P275 HydrophobicContact CG-CG 4.35Å; C268-P275 HydrophobicContact CB-CG 3.75Å; P275-P277 WeakPolarHBondContact O-CD 3.21Å; P275-L280 HydrophobicContact CB-CD1 3.91Å; P275-L280 HydrophobicContact CB-CD2 4.42Å; P275-L280 HydrophobicContact CB-CG 4.26Å
276	V	94.7	Very high	93.8	Very high	10 Å²	10	74 Å²	74	6%	0.061	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-71.7	121.8	-177.5	178.5	0	0	0	0	109.7	Y264 K274 K278 V279 L280 L298 E301 L303	Y264-V276 PolarHBondContact OH-N 2.77Å; K274-V276 PolarHBondContact O-N 3.13Å; V276-K278 HydrophobicContact CG1-CB 4.29Å; V276-K278 PolarHBondContact O-N 3.4Å; V276-V279 HydrophobicContact CB-CB 4.15Å; V276-V279 HydrophobicContact CB-CG2 3.74Å; V276-V279 HydrophobicContact CG1-CB 4.49Å; V276-V279 HydrophobicContact CG1-CG2 3.83Å; V276-V279 WeakPolarHBondContact O-CB 3.46Å; V276-V279 PolarHBondContact O-N 3.3Å; V276-V279 VanDerWaalsContact O-N 3.13Å; V276-L280 PolarHBondContact O-N 2.92Å; V276-L280 VanDerWaalsContact O-N 3.13Å; V276-L298 HydrophobicContact CG1-CD2 4.09Å; V276-E301 HydrophobicContact CG1-CB 4.17Å; V276-E301 HydrophobicContact CG1-CG 3.82Å; V276-L303 HydrophobicContact CG2-CD2 3.98Å
277	P	93.2	Very high	93.1	Very high	91 Å²	91	77.8 Å²	77.8	59%	0.591	38%	0.376	S	S	*	.	H	α-helix	trans	-62.8	-37.1	-174.8	-25.4	35.6	0	0	0	113.9	P275 V279 L280 K281	P275-P277 WeakPolarHBondContact O-CD 3.21Å; P277-V279 VanDerWaalsContact C-N 3.28Å; P277-V279 PolarHBondContact O-N 3.22Å; P277-L280 PolarHBondContact O-N 3.34Å; P277-K281 PolarHBondContact O-N 3.2Å; P277-K281 VanDerWaalsContact O-N 3.11Å
278	K	94.9	Very high	92.4	Very high	63 Å²	63	79.7 Å²	79.7	27%	0.274	38%	0.384	S	S	.	.	H	α-helix	trans	-57	-41.8	173.9	-78	-159.2	179.4	101.4	0	112.2	V276 Q282 K299 E301	V276-K278 HydrophobicContact CG1-CB 4.29Å; V276-K278 PolarHBondContact O-N 3.4Å; K278-Q282 WeakPolarHBondContact O-CB 3.35Å; K278-Q282 WeakPolarHBondContact O-CG 3.5Å; K278-Q282 PolarHBondContact O-N 3.17Å; K278-Q282 PolarHBondContact O-NE2 2.8Å; K278-K299 PolarHBondContact NZ-O 3.09Å; K278-E301 HydrophobicContact CB-CG 4.32Å; K278-E301 HydrophobicContact CD-CG 3.8Å; K278-E301 WeakPolarHBondContact CE-OE1 3.35Å; K278-E301 HydrophobicContact CG-CG 4.03Å; K278-E301 IonicContact NZ-OE1 3.34Å; K278-E301 PolarHBondContact NZ-OE1 3.23Å
279	V	94.5	Very high	91.9	Very high	0 Å²	0	81.1 Å²	81.1	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-68.1	-49.7	-179.4	177.9	0	0	0	0	110.4	Y264 V276 P277 K281 Q282 I283 L298 L311 I314	Y264-V279 HydrophobicContact CD1-CG1 4.45Å; Y264-V279 HydrophobicContact CE1-CB 4.35Å; Y264-V279 HydrophobicContact CE1-CG1 4Å; V276-V279 HydrophobicContact CB-CB 4.15Å; V276-V279 HydrophobicContact CB-CG2 3.74Å; V276-V279 HydrophobicContact CG1-CB 4.49Å; V276-V279 HydrophobicContact CG1-CG2 3.83Å; V276-V279 WeakPolarHBondContact O-CB 3.46Å; V276-V279 PolarHBondContact O-N 3.3Å; V276-V279 VanDerWaalsContact O-N 3.13Å; P277-V279 VanDerWaalsContact C-N 3.28Å; P277-V279 PolarHBondContact O-N 3.22Å; V279-K281 PolarHBondContact O-N 3.38Å; V279-Q282 PolarHBondContact O-N 2.66Å; V279-I283 HydrophobicContact CG1-CG1 4.03Å; V279-I283 WeakPolarHBondContact O-CG1 3.32Å; V279-I283 PolarHBondContact O-N 2.86Å; V279-L298 HydrophobicContact CG2-CD2 3.34Å; V279-L298 HydrophobicContact CG2-CG 4.42Å; V279-L311 HydrophobicContact CG1-CD2 4.24Å; V279-L311 HydrophobicContact CG2-CD2 4.04Å; V279-I314 HydrophobicContact CG1-CD1 3.21Å
280	L	94.1	Very high	91	Very high	42 Å²	42	80 Å²	80	22%	0.22	40%	0.395	C	S	.	.	H	α-helix	trans	-54.9	-40.5	178.4	-69.6	-177.7	0	0	0	112.3	L261 Y264 K265 P275 V276 P277 Q284	L261-L280 HydrophobicContact CD2-CD2 3.82Å; Y264-L280 HydrophobicContact CD1-CD2 3.69Å; Y264-L280 HydrophobicContact CE1-CD2 3.93Å; Y264-L280 HydrophobicContact CE1-CG 4.33Å; K265-L280 HydrophobicContact CD-CD2 4.44Å; K265-L280 VanDerWaalsContact CE-CD2 3.43Å; K265-L280 HydrophobicContact CG-CD2 4.13Å; P275-L280 HydrophobicContact CB-CD1 3.91Å; P275-L280 HydrophobicContact CB-CD2 4.42Å; P275-L280 HydrophobicContact CB-CG 4.26Å; V276-L280 PolarHBondContact O-N 2.92Å; V276-L280 VanDerWaalsContact O-N 3.13Å; P277-L280 PolarHBondContact O-N 3.34Å; L280-Q284 WeakPolarHBondContact O-CB 3.39Å; L280-Q284 PolarHBondContact O-N 3.41Å
281	K	94	Very high	90.5	Very high	122 Å²	122	77.6 Å²	77.6	53%	0.53	39%	0.386	S	S	.	.	H	α-helix	trans	-67.3	-52.8	175.7	-174.1	-170.5	166.3	-167.9	0	111.8	P277 V279 I283 Q284 E285	P277-K281 PolarHBondContact O-N 3.2Å; P277-K281 VanDerWaalsContact O-N 3.11Å; V279-K281 PolarHBondContact O-N 3.38Å; K281-I283 PolarHBondContact O-N 2.78Å; K281-Q284 WeakPolarHBondContact O-CB 3.26Å; K281-Q284 PolarHBondContact O-N 3.45Å; K281-Q284 VanDerWaalsContact O-N 3.14Å; K281-E285 VanDerWaalsContact CE-CD 3.45Å; K281-E285 WeakPolarHBondContact CE-OE1 3.41Å; K281-E285 IonicContact NZ-OE1 3.12Å; K281-E285 PolarHBondContact O-N 3.36Å; K281-E285 VanDerWaalsContact O-N 3.12Å
282	Q	94.4	Very high	90.4	Very high	37 Å²	37	78 Å²	78	17%	0.173	39%	0.385	C	S	.	.	H	α-helix	trans	-60.9	-44.9	-176.3	-78.4	169.5	90	0	0	112.4	K278 V279 Q284 E285 L286 D297	K278-Q282 WeakPolarHBondContact O-CB 3.35Å; K278-Q282 WeakPolarHBondContact O-CG 3.5Å; K278-Q282 PolarHBondContact O-N 3.17Å; K278-Q282 PolarHBondContact O-NE2 2.8Å; V279-Q282 PolarHBondContact O-N 2.66Å; Q282-Q284 VanDerWaalsContact C-N 3.27Å; Q282-Q284 PolarHBondContact O-N 3.24Å; Q282-E285 PolarHBondContact O-N 2.86Å; Q282-L286 WeakPolarHBondContact O-CG 3.42Å; Q282-L286 PolarHBondContact O-N 2.95Å; Q282-D297 PolarHBondContact NE2-O 3.46Å
283	I	93.2	Very high	90.3	Very high	1 Å²	1	73.1 Å²	73.1	1%	0.005	36%	0.359	C	S	.	.	H	α-helix	trans	-62.8	-35.2	177.4	-59.8	-54.1	0	0	0	111.1	V257 I260 L261 V279 K281 E285 L286 I314 F320	V257-I283 HydrophobicContact CG1-CG2 4.42Å; V257-I283 VanDerWaalsContact CG1-O 3.22Å; V257-I283 WeakPolarHBondContact CG1-O 3.36Å; I260-I283 HydrophobicContact CB-CG2 4.3Å; I260-I283 HydrophobicContact CG2-CG2 3.85Å; L261-I283 HydrophobicContact CD2-CB 3.87Å; L261-I283 HydrophobicContact CD2-CG2 3.83Å; L261-I283 HydrophobicContact CG-CB 4.46Å; L261-I283 HydrophobicContact CG-CG2 3.9Å; V279-I283 HydrophobicContact CG1-CG1 4.03Å; V279-I283 WeakPolarHBondContact O-CG1 3.32Å; V279-I283 PolarHBondContact O-N 2.86Å; K281-I283 PolarHBondContact O-N 2.78Å; I283-E285 VanDerWaalsContact C-N 3.28Å; I283-E285 PolarHBondContact O-N 3.38Å; I283-L286 HydrophobicContact CD1-CD1 3.79Å; I283-L286 PolarHBondContact O-N 3.01Å; I283-I314 HydrophobicContact CD1-CD1 4.42Å; I283-I314 HydrophobicContact CD1-CG2 3.66Å; I283-I314 HydrophobicContact CG1-CD1 4.02Å; I283-I314 HydrophobicContact CG1-CG2 4.4Å; I283-F320 HydrophobicContact CD1-CZ 4.09Å
284	Q	93.1	Very high	90.2	Very high	144 Å²	144	78.1 Å²	78.1	67%	0.673	38%	0.38	S	S	*	.	H	α-helix	trans	-70.2	-20.1	174.4	-169.4	170.9	11.5	0	0	113.9	L261 L280 K281 Q282	L261-Q284 HydrophobicContact CD1-CB 4.09Å; L261-Q284 HydrophobicContact CD1-CG 4.46Å; L280-Q284 WeakPolarHBondContact O-CB 3.39Å; L280-Q284 PolarHBondContact O-N 3.41Å; K281-Q284 WeakPolarHBondContact O-CB 3.26Å; K281-Q284 PolarHBondContact O-N 3.45Å; K281-Q284 VanDerWaalsContact O-N 3.14Å; Q282-Q284 VanDerWaalsContact C-N 3.27Å; Q282-Q284 PolarHBondContact O-N 3.24Å
285	E	91.8	Very high	90.3	Very high	119 Å²	119	71.8 Å²	71.8	56%	0.556	36%	0.359	S	S	*	.	H	α-helix	trans	-91.2	-6.2	178	-71.1	177.3	169.2	0	0	113.2	K281 Q282 I283	K281-E285 VanDerWaalsContact CE-CD 3.45Å; K281-E285 WeakPolarHBondContact CE-OE1 3.41Å; K281-E285 IonicContact NZ-OE1 3.12Å; K281-E285 PolarHBondContact O-N 3.36Å; K281-E285 VanDerWaalsContact O-N 3.12Å; Q282-E285 PolarHBondContact O-N 2.86Å; I283-E285 VanDerWaalsContact C-N 3.28Å; I283-E285 PolarHBondContact O-N 3.38Å
286	L	88.9	Confident	90.5	Very high	28 Å²	28	69.8 Å²	69.8	15%	0.147	35%	0.346	C	S	.	.			trans	-69.5	141	176.2	-57.1	-174.6	0	0	0	112	Q282 I283 L289 N293 V318	Q282-L286 WeakPolarHBondContact O-CG 3.42Å; Q282-L286 PolarHBondContact O-N 2.95Å; I283-L286 HydrophobicContact CD1-CD1 3.79Å; I283-L286 PolarHBondContact O-N 3.01Å; L286-L289 HydrophobicContact CB-CD2 4Å; L286-L289 HydrophobicContact CD1-CD2 3.69Å; L286-N293 HydrophobicContact CD2-CB 4.32Å; L286-V318 HydrophobicContact CD1-CG1 3.87Å; L286-V318 HydrophobicContact CD1-CG2 4.35Å
287	K	81.4	Confident	90.5	Very high	207 Å²	207	72 Å²	72	90%	0.9	36%	0.357	S	S	*	.			trans	-118.4	-24.4	-179.8	-62.2	-178.6	-176.9	177.7	0	114.1
288	D	80.6	Confident	90.7	Very high	54 Å²	54	67.7 Å²	67.7	29%	0.289	33%	0.329	S	S	.	.			trans	-130	133.8	174.5	-172	-4.9	0	0	0	107.5	T290 Q291 N293	D288-T290 WeakPolarHBondContact OD1-CA 3.29Å; D288-T290 WeakPolarHBondContact OD1-CB 3.42Å; D288-T290 PolarHBondContact OD1-N 3.04Å; D288-T290 PolarHBondContact OD1-OG1 2.91Å; D288-T290 PolarHBondContact OD2-OG1 2.84Å; D288-Q291 WeakPolarHBondContact OD2-CG 3.38Å; D288-Q291 PolarHBondContact OD2-NE2 2.96Å; D288-Q291 VanDerWaalsContact OD2-NE2 3.17Å; D288-N293 PolarHBondContact O-ND2 3.13Å; D288-N293 PolarHBondContact O-OD1 2.84Å
289	L	82.7	Confident	90.7	Very high	29 Å²	29	68.5 Å²	68.5	15%	0.152	33%	0.333	C	S	.	.	S	Bend	trans	-114.6	-6.1	179.4	-57.8	171.7	0	0	0	111.2	V255 V257 I260 L286 V318	V255-L289 VanDerWaalsContact O-CD1 3.29Å; V255-L289 WeakPolarHBondContact O-CD1 3.49Å; V257-L289 HydrophobicContact CG2-CD1 4Å; V257-L289 HydrophobicContact CG2-CD2 4.4Å; I260-L289 HydrophobicContact CD1-CD1 3.75Å; I260-L289 HydrophobicContact CD1-CD2 4.05Å; I260-L289 HydrophobicContact CD1-CG 4.47Å; L286-L289 HydrophobicContact CB-CD2 4Å; L286-L289 HydrophobicContact CD1-CD2 3.69Å; L289-V318 HydrophobicContact CD2-CG2 3.94Å
290	T	78.2	Confident	90.6	Very high	126 Å²	126	70.4 Å²	70.4	77%	0.773	35%	0.352	S	S	*	.	S	Bend	trans	-87	-24.7	179.1	69.8	0	0	0	0	112.6	D288	D288-T290 WeakPolarHBondContact OD1-CA 3.29Å; D288-T290 WeakPolarHBondContact OD1-CB 3.42Å; D288-T290 PolarHBondContact OD1-N 3.04Å; D288-T290 PolarHBondContact OD1-OG1 2.91Å; D288-T290 PolarHBondContact OD2-OG1 2.84Å
291	Q	84.8	Confident	90.7	Very high	134 Å²	134	70.8 Å²	70.8	63%	0.626	35%	0.353	S	S	*	.	S	Bend	trans	-103.3	161	177.1	-66.8	-172.5	51.1	0	0	112.5	D288 N293	D288-Q291 WeakPolarHBondContact OD2-CG 3.38Å; D288-Q291 PolarHBondContact OD2-NE2 2.96Å; D288-Q291 VanDerWaalsContact OD2-NE2 3.17Å; Q291-N293 PolarHBondContact O-N 2.93Å; Q291-N293 PolarHBondContact O-ND2 3.24Å
292	R	90.1	Very high	90.6	Very high	50 Å²	50	73.2 Å²	73.2	19%	0.189	36%	0.364	C	S	.	.			trans	-75.5	103	178.3	-173.7	172.2	-69.5	-104.4	7.8	110.6	Q319 F320 K321 E346 S347 A348	R292-Q319 CarbonylContact C-O 3.59Å; R292-Q319 WeakPolarHBondContact CA-O 3.31Å; R292-Q319 HydrophobicContact CB-CB 4.02Å; R292-Q319 HydrophobicContact CG-CB 3.91Å; R292-Q319 VanDerWaalsContact CZ-OE1 3.24Å; R292-Q319 VanDerWaalsContact NE-OE1 3.12Å; R292-F320 VanDerWaalsContact CD-O 3.24Å; R292-F320 WeakPolarHBondContact CD-O 3.45Å; R292-F320 VanDerWaalsContact CG-O 3.25Å; R292-F320 WeakPolarHBondContact CG-O 3.37Å; R292-F320 PolarHBondContact NH1-O 3.44Å; R292-K321 HydrophobicContact CG-CG 3.78Å; R292-K321 WeakPolarHBondContact O-CE 3.4Å; R292-E346 PolarHBondContact NH1-O 3.22Å; R292-E346 PolarHBondContact NH2-O 3.33Å; R292-S347 VanDerWaalsContact NH1-C 3.25Å; R292-S347 PolarHBondContact NH1-O 2.78Å; R292-A348 PolarHBondContact NH1-O 3.01Å
293	N	92.1	Very high	90.6	Very high	30 Å²	30	71.7 Å²	71.7	16%	0.16	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	156.6	-177.1	-80.3	-82.9	0	0	0	112.1	L286 D288 Q291 Q319 F320 K321	L286-N293 HydrophobicContact CD2-CB 4.32Å; D288-N293 PolarHBondContact O-ND2 3.13Å; D288-N293 PolarHBondContact O-OD1 2.84Å; Q291-N293 PolarHBondContact O-N 2.93Å; Q291-N293 PolarHBondContact O-ND2 3.24Å; N293-Q319 PolarHBondContact N-O 3.35Å; N293-F320 HydrophobicContact CB-CD1 3.92Å; N293-F320 HydrophobicContact CB-CE1 4.15Å; N293-F320 CarbonylContact O-C 3.57Å; N293-F320 VanDerWaalsContact O-CA 3.23Å; N293-F320 WeakPolarHBondContact O-CA 3.5Å; N293-K321 PolarHBondContact O-N 2.91Å
294	E	91.9	Very high	90.5	Very high	125 Å²	125	75.4 Å²	75.4	58%	0.584	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.5	-53	-168.6	-59.5	-56.6	146.7	0	0	114	K321 V322	E294-K321 WeakPolarHBondContact O-CB 3.49Å; E294-K321 IonicContact OE1-NZ 3.44Å; E294-K321 PolarHBondContact OE1-NZ 3.5Å; E294-K321 WeakPolarHBondContact OE2-CD 3.12Å; E294-K321 WeakPolarHBondContact OE2-CE 3.49Å; E294-K321 IonicContact OE2-NZ 3.06Å; E294-K321 PolarHBondContact OE2-NZ 2.94Å; E294-V322 PolarHBondContact O-N 3.29Å
295	C	94.8	Very high	90.5	Very high	51 Å²	51	72.9 Å²	72.9	35%	0.345	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	147.4	-175.2	-168.8	0	0	0	0	112.5	V322	C295-V322 CarbonylContact C-O 3.42Å; C295-V322 VanDerWaalsContact CA-O 3.28Å; C295-V322 WeakPolarHBondContact CA-O 3.44Å; C295-V322 HydrophobicContact CB-CB 4.21Å
296	L	96.3	Very high	90.7	Very high	2 Å²	2	71 Å²	71	1%	0.01	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	101	156.5	179.3	61.6	0	0	0	108.7	L298 L315 F320 V322 I323 D324	L296-L298 HydrophobicContact CD2-CD1 4.24Å; L296-L298 HydrophobicContact CG-CD1 4.26Å; L296-L298 HydrophobicContact CG-CG 4.42Å; L296-L315 HydrophobicContact CD2-CD2 4.32Å; L296-F320 HydrophobicContact CB-CD1 3.79Å; L296-F320 HydrophobicContact CB-CD2 4.03Å; L296-F320 HydrophobicContact CB-CE1 3.89Å; L296-F320 HydrophobicContact CB-CE2 4.14Å; L296-F320 HydrophobicContact CB-CG 3.86Å; L296-F320 HydrophobicContact CB-CZ 4.07Å; L296-F320 HydrophobicContact CD1-CZ 4.31Å; L296-F320 HydrophobicContact CD2-CD2 4.34Å; L296-F320 HydrophobicContact CD2-CE2 4Å; L296-F320 HydrophobicContact CD2-CZ 4.33Å; L296-F320 HydrophobicContact CG-CZ 4.47Å; L296-V322 PolarHBondContact N-O 3.26Å; L296-I323 HydrophobicContact CB-CG1 4.38Å; L296-I323 HydrophobicContact CB-CG2 4.49Å; L296-I323 HydrophobicContact CD2-CG2 4.45Å; L296-D324 PolarHBondContact O-N 3.13Å
297	D	96.3	Very high	90.9	Very high	56 Å²	56	69.8 Å²	69.8	30%	0.299	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	113	178.7	172.5	21.7	0	0	0	111	Q282 K299	Q282-D297 PolarHBondContact NE2-O 3.46Å; D297-K299 WeakPolarHBondContact OD1-CB 3.48Å; D297-K299 PolarHBondContact OD1-N 2.65Å
298	L	95.9	Very high	91.6	Very high	1 Å²	1	60 Å²	60	1%	0.005	30%	0.302	C	S	.	.			trans	-114.3	8.4	171.7	-71.5	161.5	0	0	0	111.8	V276 V279 L296 G300 E301 L303 L311 D324 L325 T328	V276-L298 HydrophobicContact CG1-CD2 4.09Å; V279-L298 HydrophobicContact CG2-CD2 3.34Å; V279-L298 HydrophobicContact CG2-CG 4.42Å; L296-L298 HydrophobicContact CD2-CD1 4.24Å; L296-L298 HydrophobicContact CG-CD1 4.26Å; L296-L298 HydrophobicContact CG-CG 4.42Å; L298-G300 PolarHBondContact O-N 3.12Å; L298-E301 VanDerWaalsContact O-CB 3.32Å; L298-E301 WeakPolarHBondContact O-CB 3.44Å; L298-E301 PolarHBondContact O-N 2.67Å; L298-L303 HydrophobicContact CB-CD1 4.38Å; L298-L303 HydrophobicContact CD1-CD1 4.13Å; L298-L303 HydrophobicContact CD2-CD2 4.38Å; L298-L311 HydrophobicContact CD1-CD1 3.77Å; L298-D324 CarbonylContact C-O 3.53Å; L298-D324 WeakPolarHBondContact CA-O 3.32Å; L298-D324 WeakPolarHBondContact CB-O 3.31Å; L298-D324 PolarHBondContact N-O 3.31Å; L298-L325 HydrophobicContact CB-CD2 4.19Å; L298-L325 HydrophobicContact CD1-CD2 3.54Å; L298-L325 HydrophobicContact CG-CD2 4.5Å; L298-T328 HydrophobicContact CB-CG2 4.07Å; L298-T328 VanDerWaalsContact O-CG2 3.23Å; L298-T328 WeakPolarHBondContact O-CG2 3.28Å
299	K	95.5	Very high	92.3	Very high	81 Å²	81	60.3 Å²	60.3	35%	0.352	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	122	-168.1	-176.4	159.8	-177.1	149.7	0	112.8	K278 D297 E301 D324 E326	K278-K299 PolarHBondContact NZ-O 3.09Å; D297-K299 WeakPolarHBondContact OD1-CB 3.48Å; D297-K299 PolarHBondContact OD1-N 2.65Å; K299-E301 PolarHBondContact O-N 3.29Å; K299-D324 PolarHBondContact N-O 3.38Å; K299-E326 CarbonylContact C-O 3.58Å; K299-E326 WeakPolarHBondContact CA-O 3.17Å; K299-E326 HydrophobicContact CD-CB 4.13Å; K299-E326 HydrophobicContact CD-CG 4.38Å; K299-E326 WeakPolarHBondContact CE-OE1 3.42Å; K299-E326 HydrophobicContact CG-CB 4.05Å; K299-E326 HydrophobicContact CG-CG 4.39Å; K299-E326 IonicContact NZ-OE1 3.4Å; K299-E326 PolarHBondContact NZ-OE1 3.01Å; K299-E326 IonicContact NZ-OE2 3.32Å; K299-E326 PolarHBondContact NZ-OE2 3.04Å
300	G	93.6	Very high	92.9	Very high	40 Å²	40	58.9 Å²	58.9	41%	0.412	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	3.4	-178.5	0	0	0	0	0	116.2	L298 E326	L298-G300 PolarHBondContact O-N 3.12Å; G300-E326 PolarHBondContact N-O 3.42Å
301	E	94.9	Very high	93.7	Very high	50 Å²	50	53 Å²	53	23%	0.234	26%	0.258	C	S	.	.			trans	-75.8	129.1	167.8	-61.6	-63.8	123.3	0	0	109.2	V276 K278 L298 K299 L303 T328	V276-E301 HydrophobicContact CG1-CB 4.17Å; V276-E301 HydrophobicContact CG1-CG 3.82Å; K278-E301 HydrophobicContact CB-CG 4.32Å; K278-E301 HydrophobicContact CD-CG 3.8Å; K278-E301 WeakPolarHBondContact CE-OE1 3.35Å; K278-E301 HydrophobicContact CG-CG 4.03Å; K278-E301 IonicContact NZ-OE1 3.34Å; K278-E301 PolarHBondContact NZ-OE1 3.23Å; L298-E301 VanDerWaalsContact O-CB 3.32Å; L298-E301 WeakPolarHBondContact O-CB 3.44Å; L298-E301 PolarHBondContact O-N 2.67Å; K299-E301 PolarHBondContact O-N 3.29Å; E301-L303 PolarHBondContact O-N 3.31Å; E301-T328 WeakPolarHBondContact O-CA 3.1Å; E301-T328 VanDerWaalsContact O-CB 3.3Å; E301-T328 WeakPolarHBondContact O-CB 3.48Å; E301-T328 WeakPolarHBondContact O-CG2 3.15Å
302	K	93.1	Very high	94.2	Very high	173 Å²	173	49.3 Å²	49.3	75%	0.752	24%	0.242	S	C	*	.			trans	-72.2	116.5	176.5	-67	-173.5	178	-174.1	0	110	T328	K302-T328 WeakPolarHBondContact CA-O 3.23Å
303	L	93.4	Very high	94.3	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.021	24%	0.241	C	C	.	.			trans	-107.9	101.3	178.7	-60.2	-179.6	0	0	0	110	V276 L298 E301 A307 L325 T328 L330	V276-L303 HydrophobicContact CG2-CD2 3.98Å; L298-L303 HydrophobicContact CB-CD1 4.38Å; L298-L303 HydrophobicContact CD1-CD1 4.13Å; L298-L303 HydrophobicContact CD2-CD2 4.38Å; E301-L303 PolarHBondContact O-N 3.31Å; L303-A307 HydrophobicContact CD2-CB 4.1Å; L303-L325 HydrophobicContact CD1-CD2 3.81Å; L303-T328 HydrophobicContact CD1-CG2 3.74Å; L303-T328 HydrophobicContact CG-CG2 4.08Å; L303-T328 PolarHBondContact N-O 3.27Å; L303-L330 HydrophobicContact CB-CD2 4.15Å; L303-L330 HydrophobicContact CD1-CD2 4.41Å
304	D	91.9	Very high	94.3	Very high	79 Å²	79	47.5 Å²	47.5	42%	0.422	23%	0.234	S	C	.	.			trans	-74.2	154.5	162.7	54.8	-64.1	0	0	0	110.8	K306 A307 C308	D304-K306 PolarHBondContact O-N 2.92Å; D304-A307 WeakPolarHBondContact O-CA 3.39Å; D304-A307 VanDerWaalsContact O-CB 3.29Å; D304-A307 WeakPolarHBondContact O-CB 3.5Å; D304-A307 PolarHBondContact O-N 3.27Å; D304-C308 PolarHBondContact O-N 2.78Å; D304-C308 VanDerWaalsContact O-N 3.1Å
305	Y	92.9	Very high	94.4	Very high	92 Å²	92	41.7 Å²	41.7	36%	0.361	21%	0.207	S	C	.	.	H	α-helix	trans	-38.2	-41.9	179	174.5	-93.7	0	0	0	114.9	C308 E309 D333 A337	Y305-C308 VanDerWaalsContact O-CB 3.29Å; Y305-C308 WeakPolarHBondContact O-CB 3.4Å; Y305-C308 PolarHBondContact O-N 3.41Å; Y305-E309 HydrophobicContact CD1-CG 4.3Å; Y305-E309 HydrophobicContact CE1-CG 3.74Å; Y305-E309 VanDerWaalsContact CE1-OE1 3.22Å; Y305-E309 WeakPolarHBondContact CE1-OE1 3.4Å; Y305-E309 VanDerWaalsContact CE1-OE2 3.31Å; Y305-E309 WeakPolarHBondContact CE1-OE2 3.39Å; Y305-E309 HydrophobicContact CE2-CG 4.46Å; Y305-E309 VanDerWaalsContact CZ-OE1 3.28Å; Y305-E309 PolarHBondContact O-N 2.83Å; Y305-E309 PolarHBondContact OH-OE1 2.74Å; Y305-D333 HydrophobicContact CD2-CB 3.72Å; Y305-D333 HydrophobicContact CE2-CB 4.01Å; Y305-A337 HydrophobicContact CE2-CB 4.35Å
306	K	94.4	Very high	94.2	Very high	80 Å²	80	40.7 Å²	40.7	35%	0.348	20%	0.197	S	C	.	.	H	α-helix	trans	-72.8	-30.9	-180	-63.9	168.7	163.5	-141	0	113.8	L271 C273 D304 S310	L271-K306 HydrophobicContact CB-CB 4.31Å; L271-K306 WeakPolarHBondContact CD1-O 3.33Å; L271-K306 WeakPolarHBondContact O-CD 3.4Å; L271-K306 WeakPolarHBondContact O-CE 3.49Å; L271-K306 PolarHBondContact O-NZ 3.1Å; C273-K306 HydrophobicContact CB-CB 3.76Å; C273-K306 PolarHBondContact SG-O 3.21Å; C273-K306 VanDerWaalsContact SG-O 3.36Å; D304-K306 PolarHBondContact O-N 2.92Å; K306-S310 WeakPolarHBondContact O-CB 3.45Å; K306-S310 PolarHBondContact O-N 3.37Å; K306-S310 VanDerWaalsContact O-N 3.13Å
307	A	94.4	Very high	93.8	Very high	2 Å²	2	42.4 Å²	42.4	2%	0.017	20%	0.203	C	C	.	.	H	α-helix	trans	-68	-42.9	169.9	0	0	0	0	0	109.4	L303 D304 S310 L311	L303-A307 HydrophobicContact CD2-CB 4.1Å; D304-A307 WeakPolarHBondContact O-CA 3.39Å; D304-A307 VanDerWaalsContact O-CB 3.29Å; D304-A307 WeakPolarHBondContact O-CB 3.5Å; D304-A307 PolarHBondContact O-N 3.27Å; A307-S310 PolarHBondContact O-N 2.9Å; A307-S310 PolarHBondContact O-OG 2.66Å; A307-L311 PolarHBondContact O-N 3.19Å
308	C	95.4	Very high	93.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-56.5	-56.4	173.2	-63.4	0	0	0	0	112.2	D304 Y305 S310 L311 L330 L338 M341	D304-C308 PolarHBondContact O-N 2.78Å; D304-C308 VanDerWaalsContact O-N 3.1Å; Y305-C308 VanDerWaalsContact O-CB 3.29Å; Y305-C308 WeakPolarHBondContact O-CB 3.4Å; Y305-C308 PolarHBondContact O-N 3.41Å; C308-S310 PolarHBondContact O-N 3.4Å; C308-L311 WeakPolarHBondContact O-CB 3.48Å; C308-L311 PolarHBondContact O-N 2.87Å; C308-L330 WeakPolarHBondContact SG-CD2 3.24Å; C308-L338 HydrophobicContact CB-CD1 4.22Å; C308-L338 HydrophobicContact CB-CD2 4.15Å; C308-L338 HydrophobicContact CB-CG 3.87Å; C308-M341 WeakPolarHBondContact O-CE 3.25Å
309	E	95.2	Very high	93.3	Very high	61 Å²	61	42 Å²	42	29%	0.285	20%	0.2	S	C	.	.	H	α-helix	trans	-52.4	-40.3	174.4	-77.9	-173.5	140.6	0	0	112.5	L271 Y305 L311 E312	L271-E309 HydrophobicContact CD1-CB 3.61Å; L271-E309 WeakPolarHBondContact CD2-OE2 3.36Å; Y305-E309 HydrophobicContact CD1-CG 4.3Å; Y305-E309 HydrophobicContact CE1-CG 3.74Å; Y305-E309 VanDerWaalsContact CE1-OE1 3.22Å; Y305-E309 WeakPolarHBondContact CE1-OE1 3.4Å; Y305-E309 VanDerWaalsContact CE1-OE2 3.31Å; Y305-E309 WeakPolarHBondContact CE1-OE2 3.39Å; Y305-E309 HydrophobicContact CE2-CG 4.46Å; Y305-E309 VanDerWaalsContact CZ-OE1 3.28Å; Y305-E309 PolarHBondContact O-N 2.83Å; Y305-E309 PolarHBondContact OH-OE1 2.74Å; E309-L311 PolarHBondContact O-N 2.94Å; E309-E312 VanDerWaalsContact O-CB 3.24Å; E309-E312 WeakPolarHBondContact O-CB 3.29Å; E309-E312 PolarHBondContact O-N 3.02Å; E309-E312 VanDerWaalsContact O-N 3.13Å
310	S	95.9	Very high	93.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-65	-23.1	-178.9	75.2	0	0	0	0	113.8	Y264 K306 A307 C308 E312	Y264-S310 VanDerWaalsContact CD2-O 3.26Å; Y264-S310 WeakPolarHBondContact CD2-O 3.14Å; Y264-S310 WeakPolarHBondContact CE2-OG 3.3Å; K306-S310 WeakPolarHBondContact O-CB 3.45Å; K306-S310 PolarHBondContact O-N 3.37Å; K306-S310 VanDerWaalsContact O-N 3.13Å; A307-S310 PolarHBondContact O-N 2.9Å; A307-S310 PolarHBondContact O-OG 2.66Å; C308-S310 PolarHBondContact O-N 3.4Å; S310-E312 PolarHBondContact O-N 2.73Å
311	L	95.9	Very high	93.4	Very high	1 Å²	1	40 Å²	40	1%	0.005	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-14.1	176.7	-65	170.9	0	0	0	112.9	Y264 V279 L298 A307 C308 E309 E313 I314 L315 L338	Y264-L311 HydrophobicContact CE2-CD2 3.96Å; V279-L311 HydrophobicContact CG1-CD2 4.24Å; V279-L311 HydrophobicContact CG2-CD2 4.04Å; L298-L311 HydrophobicContact CD1-CD1 3.77Å; A307-L311 PolarHBondContact O-N 3.19Å; C308-L311 WeakPolarHBondContact O-CB 3.48Å; C308-L311 PolarHBondContact O-N 2.87Å; E309-L311 PolarHBondContact O-N 2.94Å; L311-E313 PolarHBondContact O-N 2.88Å; L311-I314 HydrophobicContact CD2-CD1 4.19Å; L311-I314 WeakPolarHBondContact O-CA 3.12Å; L311-I314 WeakPolarHBondContact O-CB 3.24Å; L311-I314 PolarHBondContact O-N 3.32Å; L311-L315 WeakPolarHBondContact O-CG 3.22Å; L311-L315 PolarHBondContact O-N 3Å; L311-L338 HydrophobicContact CB-CD2 4.49Å; L311-L338 HydrophobicContact CD1-CD2 4.08Å
312	E	94.1	Very high	93.5	Very high	58 Å²	58	40 Å²	40	27%	0.271	18%	0.183	S	C	.	.	H	α-helix	trans	-56.7	-38.3	177.4	-158.4	-118.9	158.3	0	0	112	E309 S310 I314 L315 K316 M341 Y345	E309-E312 VanDerWaalsContact O-CB 3.24Å; E309-E312 WeakPolarHBondContact O-CB 3.29Å; E309-E312 PolarHBondContact O-N 3.02Å; E309-E312 VanDerWaalsContact O-N 3.13Å; S310-E312 PolarHBondContact O-N 2.73Å; E312-I314 PolarHBondContact O-N 3.07Å; E312-I314 VanDerWaalsContact O-N 3.13Å; E312-L315 PolarHBondContact O-N 2.99Å; E312-K316 HydrophobicContact CG-CD 4.36Å; E312-K316 WeakPolarHBondContact O-CB 3.39Å; E312-K316 VanDerWaalsContact O-CD 3.31Å; E312-K316 WeakPolarHBondContact O-CD 3.45Å; E312-K316 WeakPolarHBondContact O-CG 3.42Å; E312-K316 PolarHBondContact O-N 3.35Å; E312-K316 VanDerWaalsContact OE1-CD 3.28Å; E312-K316 WeakPolarHBondContact OE1-CD 3.28Å; E312-K316 IonicContact OE1-NZ 3.72Å; E312-K316 PolarHBondContact OE1-NZ 2.75Å; E312-K316 IonicContact OE2-NZ 2.67Å; E312-K316 PolarHBondContact OE2-NZ 3.05Å; E312-M341 WeakPolarHBondContact CA-SD 3.49Å; E312-M341 HydrophobicContact CB-CE 4.45Å; E312-M341 HydrophobicContact CB-CG 4.47Å; E312-M341 HydrophobicContact CB-SD 3.4Å; E312-M341 WeakPolarHBondContact CB-SD 3.41Å; E312-M341 HydrophobicContact CG-CG 3.97Å; E312-M341 HydrophobicContact CG-SD 3.56Å; E312-M341 VanDerWaalsContact CG-SD 3.56Å; E312-Y345 HydrophobicContact CG-CE2 4.1Å; E312-Y345 PolarHBondContact OE1-OH 2.76Å
313	E	92.4	Very high	93.7	Very high	40 Å²	40	32 Å²	32	19%	0.187	15%	0.148	C	C	.	.	H	α-helix	trans	-63.6	-16.2	175.6	-67.5	-62.9	146	0	0	114	A267 L311 K316 R317	A267-E313 HydrophobicContact CB-CG 3.83Å; L311-E313 PolarHBondContact O-N 2.88Å; E313-K316 VanDerWaalsContact CD-CE 3.44Å; E313-K316 VanDerWaalsContact CD-NZ 3.34Å; E313-K316 VanDerWaalsContact OE1-CE 3.32Å; E313-K316 WeakPolarHBondContact OE1-CE 3.47Å; E313-K316 IonicContact OE1-NZ 2.75Å; E313-K316 PolarHBondContact OE1-NZ 3.44Å; E313-K316 WeakPolarHBondContact OE2-CE 3.49Å; E313-K316 IonicContact OE2-NZ 2.98Å; E313-R317 PolarHBondContact O-NH1 3.2Å; E313-R317 IonicContact OE2-CZ 3.61Å; E313-R317 VanDerWaalsContact OE2-CZ 3.31Å; E313-R317 IonicContact OE2-NH1 2.98Å; E313-R317 PolarHBondContact OE2-NH1 2.94Å; E313-R317 IonicContact OE2-NH2 3.31Å; E313-R317 PolarHBondContact OE2-NH2 2.79Å
314	I	93.1	Very high	93.9	Very high	1 Å²	1	33 Å²	33	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-97.2	-50.5	174	-63.7	168.9	0	0	0	109.6	I260 Y264 V279 I283 L311 E312 K316 R317 V318 F320	I260-I314 HydrophobicContact CG2-CG1 3.92Å; Y264-I314 HydrophobicContact CD1-CD1 4.35Å; Y264-I314 HydrophobicContact CD2-CD1 3.65Å; Y264-I314 HydrophobicContact CD2-CG1 4.18Å; Y264-I314 HydrophobicContact CE2-CD1 4.06Å; Y264-I314 HydrophobicContact CG-CD1 3.84Å; Y264-I314 HydrophobicContact CG-CG1 4.35Å; V279-I314 HydrophobicContact CG1-CD1 3.21Å; I283-I314 HydrophobicContact CD1-CD1 4.42Å; I283-I314 HydrophobicContact CD1-CG2 3.66Å; I283-I314 HydrophobicContact CG1-CD1 4.02Å; I283-I314 HydrophobicContact CG1-CG2 4.4Å; L311-I314 HydrophobicContact CD2-CD1 4.19Å; L311-I314 WeakPolarHBondContact O-CA 3.12Å; L311-I314 WeakPolarHBondContact O-CB 3.24Å; L311-I314 PolarHBondContact O-N 3.32Å; E312-I314 PolarHBondContact O-N 3.07Å; E312-I314 VanDerWaalsContact O-N 3.13Å; I314-K316 PolarHBondContact O-N 3.32Å; I314-R317 CarbonylContact O-C 3.55Å; I314-R317 PolarHBondContact O-N 2.81Å; I314-V318 HydrophobicContact CG2-CB 4.45Å; I314-V318 HydrophobicContact CG2-CG2 4.45Å; I314-V318 PolarHBondContact O-N 3.43Å; I314-F320 HydrophobicContact CG2-CE2 4.11Å; I314-F320 HydrophobicContact CG2-CZ 4.22Å
315	L	92.4	Very high	94.1	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.021	13%	0.134	C	C	.	.	H	α-helix	trans	-62.5	-28.4	-175.4	-64.3	-178.8	0	0	0	112.8	W249 L296 L311 E312 R317 F320 I323 L338 M341 S347	W249-L315 WeakPolarHBondContact CH2-O 2.81Å; L296-L315 HydrophobicContact CD2-CD2 4.32Å; L311-L315 WeakPolarHBondContact O-CG 3.22Å; L311-L315 PolarHBondContact O-N 3Å; E312-L315 PolarHBondContact O-N 2.99Å; L315-R317 VanDerWaalsContact C-N 3.25Å; L315-R317 PolarHBondContact O-N 2.88Å; L315-F320 HydrophobicContact CD2-CD2 4.44Å; L315-F320 HydrophobicContact CD2-CE2 4.42Å; L315-I323 HydrophobicContact CD2-CD1 3.82Å; L315-L338 HydrophobicContact CD1-CD2 4.37Å; L315-M341 HydrophobicContact CD1-CB 4.14Å; L315-M341 HydrophobicContact CD1-SD 4.13Å; L315-S347 PolarHBondContact O-OG 2.67Å
316	K	90.3	Very high	94.3	Very high	30 Å²	30	25.7 Å²	25.7	13%	0.13	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	4.5	173.6	78.1	-159.2	179.6	-165.9	0	115.8	E312 E313 I314 Y345	E312-K316 HydrophobicContact CG-CD 4.36Å; E312-K316 WeakPolarHBondContact O-CB 3.39Å; E312-K316 VanDerWaalsContact O-CD 3.31Å; E312-K316 WeakPolarHBondContact O-CD 3.45Å; E312-K316 WeakPolarHBondContact O-CG 3.42Å; E312-K316 PolarHBondContact O-N 3.35Å; E312-K316 VanDerWaalsContact OE1-CD 3.28Å; E312-K316 WeakPolarHBondContact OE1-CD 3.28Å; E312-K316 IonicContact OE1-NZ 3.72Å; E312-K316 PolarHBondContact OE1-NZ 2.75Å; E312-K316 IonicContact OE2-NZ 2.67Å; E312-K316 PolarHBondContact OE2-NZ 3.05Å; E313-K316 VanDerWaalsContact CD-CE 3.44Å; E313-K316 VanDerWaalsContact CD-NZ 3.34Å; E313-K316 VanDerWaalsContact OE1-CE 3.32Å; E313-K316 WeakPolarHBondContact OE1-CE 3.47Å; E313-K316 IonicContact OE1-NZ 2.75Å; E313-K316 PolarHBondContact OE1-NZ 3.44Å; E313-K316 WeakPolarHBondContact OE2-CE 3.49Å; E313-K316 IonicContact OE2-NZ 2.98Å; I314-K316 PolarHBondContact O-N 3.32Å; K316-Y345 HydrophobicContact CB-CD1 3.74Å; K316-Y345 HydrophobicContact CB-CD2 4.3Å; K316-Y345 HydrophobicContact CB-CE1 3.21Å; K316-Y345 HydrophobicContact CB-CE2 3.82Å; K316-Y345 HydrophobicContact CB-CG 4.29Å; K316-Y345 WeakPolarHBondContact CB-OH 3.42Å
317	R	89.3	Confident	94.4	Very high	37 Å²	37	26.6 Å²	26.6	14%	0.14	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.2	-17.7	-177.2	-63	-169.7	-175.5	87.9	-3.8	114.8	I260 E313 I314 L315	I260-R317 HydrophobicContact CD1-CB 4.26Å; I260-R317 HydrophobicContact CG1-CB 4.37Å; E313-R317 PolarHBondContact O-NH1 3.2Å; E313-R317 IonicContact OE2-CZ 3.61Å; E313-R317 VanDerWaalsContact OE2-CZ 3.31Å; E313-R317 IonicContact OE2-NH1 2.98Å; E313-R317 PolarHBondContact OE2-NH1 2.94Å; E313-R317 IonicContact OE2-NH2 3.31Å; E313-R317 PolarHBondContact OE2-NH2 2.79Å; I314-R317 CarbonylContact O-C 3.55Å; I314-R317 PolarHBondContact O-N 2.81Å; L315-R317 VanDerWaalsContact C-N 3.25Å; L315-R317 PolarHBondContact O-N 2.88Å
318	V	90.4	Very high	94.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.125	C	C	.	.			trans	-135.1	123.3	-179.8	-169	0	0	0	0	110	I260 L286 L289 I314 F320	I260-V318 HydrophobicContact CD1-CG2 3.81Å; L286-V318 HydrophobicContact CD1-CG1 3.87Å; L286-V318 HydrophobicContact CD1-CG2 4.35Å; L289-V318 HydrophobicContact CD2-CG2 3.94Å; I314-V318 HydrophobicContact CG2-CB 4.45Å; I314-V318 HydrophobicContact CG2-CG2 4.45Å; I314-V318 PolarHBondContact O-N 3.43Å; V318-F320 HydrophobicContact CB-CE2 3.87Å; V318-F320 HydrophobicContact CB-CZ 3.91Å; V318-F320 HydrophobicContact CG1-CD2 4.47Å; V318-F320 HydrophobicContact CG1-CE1 3.92Å; V318-F320 HydrophobicContact CG1-CE2 3.78Å; V318-F320 HydrophobicContact CG1-CZ 3.47Å; V318-F320 VanDerWaalsContact CG1-CZ 3.47Å
319	Q	91.4	Very high	94.3	Very high	49 Å²	49	30.9 Å²	30.9	23%	0.229	15%	0.148	C	C	.	.			trans	-86	145.4	168.2	-67.5	-171.8	-1.5	0	0	110.8	W249 R292 N293	W249-Q319 HydrophobicContact CH2-CB 4.4Å; W249-Q319 HydrophobicContact CH2-CG 3.33Å; W249-Q319 HydrophobicContact CZ2-CG 3.29Å; W249-Q319 HydrophobicContact CZ3-CG 4.01Å; R292-Q319 CarbonylContact C-O 3.59Å; R292-Q319 WeakPolarHBondContact CA-O 3.31Å; R292-Q319 HydrophobicContact CB-CB 4.02Å; R292-Q319 HydrophobicContact CG-CB 3.91Å; R292-Q319 VanDerWaalsContact CZ-OE1 3.24Å; R292-Q319 VanDerWaalsContact NE-OE1 3.12Å; N293-Q319 PolarHBondContact N-O 3.35Å
320	F	94.4	Very high	94.3	Very high	2 Å²	2	28 Å²	28	1%	0.009	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	153.4	173.1	-58.6	-86.3	0	0	0	111	I283 R292 N293 L296 I314 L315 V318 V322 I323 S347 A348	I283-F320 HydrophobicContact CD1-CZ 4.09Å; R292-F320 VanDerWaalsContact CD-O 3.24Å; R292-F320 WeakPolarHBondContact CD-O 3.45Å; R292-F320 VanDerWaalsContact CG-O 3.25Å; R292-F320 WeakPolarHBondContact CG-O 3.37Å; R292-F320 PolarHBondContact NH1-O 3.44Å; N293-F320 HydrophobicContact CB-CD1 3.92Å; N293-F320 HydrophobicContact CB-CE1 4.15Å; N293-F320 CarbonylContact O-C 3.57Å; N293-F320 VanDerWaalsContact O-CA 3.23Å; N293-F320 WeakPolarHBondContact O-CA 3.5Å; L296-F320 HydrophobicContact CB-CD1 3.79Å; L296-F320 HydrophobicContact CB-CD2 4.03Å; L296-F320 HydrophobicContact CB-CE1 3.89Å; L296-F320 HydrophobicContact CB-CE2 4.14Å; L296-F320 HydrophobicContact CB-CG 3.86Å; L296-F320 HydrophobicContact CB-CZ 4.07Å; L296-F320 HydrophobicContact CD1-CZ 4.31Å; L296-F320 HydrophobicContact CD2-CD2 4.34Å; L296-F320 HydrophobicContact CD2-CE2 4Å; L296-F320 HydrophobicContact CD2-CZ 4.33Å; L296-F320 HydrophobicContact CG-CZ 4.47Å; I314-F320 HydrophobicContact CG2-CE2 4.11Å; I314-F320 HydrophobicContact CG2-CZ 4.22Å; L315-F320 HydrophobicContact CD2-CD2 4.44Å; L315-F320 HydrophobicContact CD2-CE2 4.42Å; V318-F320 HydrophobicContact CB-CE2 3.87Å; V318-F320 HydrophobicContact CB-CZ 3.91Å; V318-F320 HydrophobicContact CG1-CD2 4.47Å; V318-F320 HydrophobicContact CG1-CE1 3.92Å; V318-F320 HydrophobicContact CG1-CE2 3.78Å; V318-F320 HydrophobicContact CG1-CZ 3.47Å; V318-F320 VanDerWaalsContact CG1-CZ 3.47Å; F320-V322 WeakPolarHBondContact CB-O 3.23Å; F320-I323 HydrophobicContact CB-CG1 3.99Å; F320-I323 HydrophobicContact CD2-CD1 4.44Å; F320-I323 HydrophobicContact CD2-CG1 4.49Å; F320-S347 PolarHBondContact N-O 3.43Å; F320-A348 WeakPolarHBondContact O-CA 3Å
321	K	95.3	Very high	94.2	Very high	76 Å²	76	30.8 Å²	30.8	33%	0.33	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-58.4	169.3	-56.3	179.7	-164.2	165.7	0	107.7	R292 N293 E294 T349 H350	R292-K321 HydrophobicContact CG-CG 3.78Å; R292-K321 WeakPolarHBondContact O-CE 3.4Å; N293-K321 PolarHBondContact O-N 2.91Å; E294-K321 WeakPolarHBondContact O-CB 3.49Å; E294-K321 IonicContact OE1-NZ 3.44Å; E294-K321 PolarHBondContact OE1-NZ 3.5Å; E294-K321 WeakPolarHBondContact OE2-CD 3.12Å; E294-K321 WeakPolarHBondContact OE2-CE 3.49Å; E294-K321 IonicContact OE2-NZ 3.06Å; E294-K321 PolarHBondContact OE2-NZ 2.94Å; K321-T349 PolarHBondContact O-N 3.03Å; K321-T349 PolarHBondContact O-OG1 2.88Å; K321-H350 PolarHBondContact O-N 3.24Å
322	V	97.2	Very high	94.1	Very high	52 Å²	52	33.9 Å²	33.9	32%	0.315	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	136.3	175.2	-171.4	0	0	0	0	110.7	E294 C295 L296 F320 H350	E294-V322 PolarHBondContact O-N 3.29Å; C295-V322 CarbonylContact C-O 3.42Å; C295-V322 VanDerWaalsContact CA-O 3.28Å; C295-V322 WeakPolarHBondContact CA-O 3.44Å; C295-V322 HydrophobicContact CB-CB 4.21Å; L296-V322 PolarHBondContact N-O 3.26Å; F320-V322 WeakPolarHBondContact CB-O 3.23Å; V322-H350 CarbonylContact C-O 3.28Å; V322-H350 WeakPolarHBondContact CA-O 3.15Å; V322-H350 HydrophobicContact CB-CB 4.47Å; V322-H350 HydrophobicContact CG2-CB 4.07Å
323	I	97.6	Very high	94.2	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.021	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	120.3	157.4	-57.5	-175.7	0	0	0	107.2	L296 L315 F320 L325 I342 A348 H350 L351 N352	L296-I323 HydrophobicContact CB-CG1 4.38Å; L296-I323 HydrophobicContact CB-CG2 4.49Å; L296-I323 HydrophobicContact CD2-CG2 4.45Å; L315-I323 HydrophobicContact CD2-CD1 3.82Å; F320-I323 HydrophobicContact CB-CG1 3.99Å; F320-I323 HydrophobicContact CD2-CD1 4.44Å; F320-I323 HydrophobicContact CD2-CG1 4.49Å; I323-L325 HydrophobicContact CG2-CD1 4.46Å; I323-L325 HydrophobicContact CG2-CD2 4.34Å; I323-L325 HydrophobicContact CG2-CG 4.1Å; I323-I342 HydrophobicContact CD1-CD1 4.24Å; I323-I342 HydrophobicContact CD1-CG1 4.27Å; I323-A348 HydrophobicContact CD1-CB 3.91Å; I323-A348 HydrophobicContact CG1-CB 3.96Å; I323-H350 PolarHBondContact N-O 3.26Å; I323-L351 HydrophobicContact CB-CD1 4.14Å; I323-L351 HydrophobicContact CG2-CD1 4.42Å; I323-N352 PolarHBondContact O-N 2.9Å
324	D	97.3	Very high	94.3	Very high	25 Å²	25	32.7 Å²	32.7	13%	0.134	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	104.2	-178.6	-167.4	-12	0	0	0	111	L296 L298 K299 E326 N352	L296-D324 PolarHBondContact O-N 3.13Å; L298-D324 CarbonylContact C-O 3.53Å; L298-D324 WeakPolarHBondContact CA-O 3.32Å; L298-D324 WeakPolarHBondContact CB-O 3.31Å; L298-D324 PolarHBondContact N-O 3.31Å; K299-D324 PolarHBondContact N-O 3.38Å; D324-E326 WeakPolarHBondContact OD1-CB 3.22Å; D324-E326 PolarHBondContact OD1-N 2.81Å; D324-N352 PolarHBondContact OD1-ND2 3.23Å
325	L	96.8	Very high	94.5	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	16%	0.161	C	C	.	.			trans	-104.3	23.4	176.2	-57.6	165.9	0	0	0	111.2	L298 L303 I323 Q327 T328 L330 L338 L351 N352 I353 N356	L298-L325 HydrophobicContact CB-CD2 4.19Å; L298-L325 HydrophobicContact CD1-CD2 3.54Å; L298-L325 HydrophobicContact CG-CD2 4.5Å; L303-L325 HydrophobicContact CD1-CD2 3.81Å; I323-L325 HydrophobicContact CG2-CD1 4.46Å; I323-L325 HydrophobicContact CG2-CD2 4.34Å; I323-L325 HydrophobicContact CG2-CG 4.1Å; L325-Q327 PolarHBondContact O-N 3.42Å; L325-T328 HydrophobicContact CB-CG2 4.26Å; L325-T328 HydrophobicContact CD2-CG2 4.47Å; L325-T328 WeakPolarHBondContact O-CG2 3.47Å; L325-T328 PolarHBondContact O-N 3.02Å; L325-T328 PolarHBondContact O-OG1 3.37Å; L325-L330 HydrophobicContact CB-CD1 4.21Å; L325-L330 HydrophobicContact CD1-CD1 4.15Å; L325-L338 HydrophobicContact CD1-CD1 3.84Å; L325-L338 HydrophobicContact CD2-CD1 3.98Å; L325-L351 HydrophobicContact CD1-CD1 3.95Å; L325-N352 CarbonylContact C-O 3.57Å; L325-N352 WeakPolarHBondContact CA-O 3.23Å; L325-N352 VanDerWaalsContact CB-O 3.32Å; L325-N352 WeakPolarHBondContact CB-O 3.39Å; L325-N352 PolarHBondContact N-O 3.35Å; L325-I353 HydrophobicContact CB-CG2 4.42Å; L325-I353 HydrophobicContact CD1-CG2 4.05Å; L325-N356 PolarHBondContact O-ND2 2.85Å
326	E	97.1	Very high	94.7	Very high	16 Å²	16	33.7 Å²	33.7	8%	0.075	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	133.7	-179.4	176.6	171.5	145.2	0	0	112.7	K299 G300 D324 T328 N352 S354 F355	K299-E326 CarbonylContact C-O 3.58Å; K299-E326 WeakPolarHBondContact CA-O 3.17Å; K299-E326 HydrophobicContact CD-CB 4.13Å; K299-E326 HydrophobicContact CD-CG 4.38Å; K299-E326 WeakPolarHBondContact CE-OE1 3.42Å; K299-E326 HydrophobicContact CG-CB 4.05Å; K299-E326 HydrophobicContact CG-CG 4.39Å; K299-E326 IonicContact NZ-OE1 3.4Å; K299-E326 PolarHBondContact NZ-OE1 3.01Å; K299-E326 IonicContact NZ-OE2 3.32Å; K299-E326 PolarHBondContact NZ-OE2 3.04Å; G300-E326 PolarHBondContact N-O 3.42Å; D324-E326 WeakPolarHBondContact OD1-CB 3.22Å; D324-E326 PolarHBondContact OD1-N 2.81Å; E326-T328 PolarHBondContact O-N 3.32Å; E326-T328 VanDerWaalsContact O-N 3.12Å; E326-N352 WeakPolarHBondContact CB-ND2 3.28Å; E326-N352 PolarHBondContact OE2-ND2 3.2Å; E326-S354 WeakPolarHBondContact CA-O 3.33Å; E326-F355 HydrophobicContact CG-CD2 3.79Å; E326-F355 HydrophobicContact CG-CE2 4.43Å
327	Q	95.9	Very high	94.9	Very high	99 Å²	99	33 Å²	33	46%	0.463	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	22.7	179	-63.8	176.2	19.5	0	0	114.5	L325 N329 S354 F355	L325-Q327 PolarHBondContact O-N 3.42Å; Q327-N329 PolarHBondContact O-N 2.8Å; Q327-S354 PolarHBondContact N-O 3.28Å; Q327-F355 HydrophobicContact CG-CB 3.49Å; Q327-F355 VanDerWaalsContact CG-CB 3.49Å; Q327-F355 HydrophobicContact CG-CD2 4.23Å; Q327-F355 HydrophobicContact CG-CG 3.91Å
328	T	95.8	Very high	95.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.163	C	C	.	.			trans	-75.2	-7.3	179.7	50.9	0	0	0	0	114.6	L298 E301 K302 L303 L325 E326 L330 N356	L298-T328 HydrophobicContact CB-CG2 4.07Å; L298-T328 VanDerWaalsContact O-CG2 3.23Å; L298-T328 WeakPolarHBondContact O-CG2 3.28Å; E301-T328 WeakPolarHBondContact O-CA 3.1Å; E301-T328 VanDerWaalsContact O-CB 3.3Å; E301-T328 WeakPolarHBondContact O-CB 3.48Å; E301-T328 WeakPolarHBondContact O-CG2 3.15Å; K302-T328 WeakPolarHBondContact CA-O 3.23Å; L303-T328 HydrophobicContact CD1-CG2 3.74Å; L303-T328 HydrophobicContact CG-CG2 4.08Å; L303-T328 PolarHBondContact N-O 3.27Å; L325-T328 HydrophobicContact CB-CG2 4.26Å; L325-T328 HydrophobicContact CD2-CG2 4.47Å; L325-T328 WeakPolarHBondContact O-CG2 3.47Å; L325-T328 PolarHBondContact O-N 3.02Å; L325-T328 PolarHBondContact O-OG1 3.37Å; E326-T328 PolarHBondContact O-N 3.32Å; E326-T328 VanDerWaalsContact O-N 3.12Å; T328-L330 WeakPolarHBondContact OG1-CG 3.32Å; T328-N356 PolarHBondContact N-OD1 3.48Å; T328-N356 PolarHBondContact OG1-OD1 2.84Å
329	N	93.4	Very high	95.6	Very high	92 Å²	92	31.5 Å²	31.5	49%	0.492	16%	0.163	S	C	.	.			trans	62.3	43	-178.7	-165.1	96.6	0	0	0	112.2	Q327 D331 N356	Q327-N329 PolarHBondContact O-N 2.8Å; N329-D331 PolarHBondContact O-N 3.18Å; N329-N356 PolarHBondContact N-OD1 2.92Å
330	L	94.3	Very high	95.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.17	C	C	.	.			trans	-60.3	130.3	174.2	-67.1	167.8	0	0	0	111.5	L303 C308 L325 T328 A335 L338 N356 H358 I359	L303-L330 HydrophobicContact CB-CD2 4.15Å; L303-L330 HydrophobicContact CD1-CD2 4.41Å; C308-L330 WeakPolarHBondContact SG-CD2 3.24Å; L325-L330 HydrophobicContact CB-CD1 4.21Å; L325-L330 HydrophobicContact CD1-CD1 4.15Å; T328-L330 WeakPolarHBondContact OG1-CG 3.32Å; L330-A335 HydrophobicContact CB-CB 4.27Å; L330-L338 HydrophobicContact CD1-CD1 4.33Å; L330-L338 HydrophobicContact CD2-CD1 3.7Å; L330-N356 HydrophobicContact CB-CB 4.45Å; L330-N356 PolarHBondContact N-OD1 2.82Å; L330-H358 CarbonylContact O-C 3.56Å; L330-H358 WeakPolarHBondContact O-CB 3.36Å; L330-I359 HydrophobicContact CB-CG1 4.24Å; L330-I359 PolarHBondContact O-N 3Å
331	D	93.9	Very high	95.8	Very high	59 Å²	59	33.3 Å²	33.3	32%	0.316	17%	0.174	S	C	.	.			trans	-84	170.7	164.8	52	26.5	0	0	0	111.1	N329 D333 G334 A335 H358	N329-D331 PolarHBondContact O-N 3.18Å; D331-D333 VanDerWaalsContact C-N 3.32Å; D331-D333 PolarHBondContact O-N 3.47Å; D331-G334 PolarHBondContact O-N 2.98Å; D331-G334 VanDerWaalsContact OD1-CA 3.24Å; D331-G334 WeakPolarHBondContact OD1-CA 3.38Å; D331-G334 PolarHBondContact OD1-N 3.29Å; D331-A335 WeakPolarHBondContact O-CB 3.24Å; D331-A335 PolarHBondContact O-N 2.91Å; D331-H358 CarbonylContact C-O 3.56Å; D331-H358 VanDerWaalsContact C-O 3.28Å; D331-H358 WeakPolarHBondContact CA-O 3.33Å
332	E	94.7	Very high	95.7	Very high	67 Å²	67	29.8 Å²	29.8	31%	0.313	16%	0.159	S	C	.	.	H	α-helix	trans	-63.1	-39.5	-173.5	-50.5	-155.6	-172.7	0	0	112.6	S336 H358 I359 G360 T361 R362	E332-S336 PolarHBondContact O-N 3.05Å; E332-H358 WeakPolarHBondContact CG-O 3.2Å; E332-H358 PolarHBondContact N-O 3.14Å; E332-I359 WeakPolarHBondContact CA-O 3.47Å; E332-I359 WeakPolarHBondContact CB-O 3.3Å; E332-I359 WeakPolarHBondContact CG-O 3.41Å; E332-G360 WeakPolarHBondContact OE1-CA 3.46Å; E332-T361 VanDerWaalsContact CD-N 3.27Å; E332-T361 PolarHBondContact OE1-N 3.09Å; E332-T361 PolarHBondContact OE2-N 3.41Å; E332-R362 HydrophobicContact CB-CB 4.1Å; E332-R362 PolarHBondContact OE2-N 2.85Å
333	D	94.9	Very high	95.5	Very high	72 Å²	72	29 Å²	29	39%	0.385	15%	0.152	S	C	.	.	H	α-helix	trans	-75.9	-39.1	-176.5	-61.7	-41.8	0	0	0	111.1	Y305 D331 S336 A337 R362	Y305-D333 HydrophobicContact CD2-CB 3.72Å; Y305-D333 HydrophobicContact CE2-CB 4.01Å; D331-D333 VanDerWaalsContact C-N 3.32Å; D331-D333 PolarHBondContact O-N 3.47Å; D333-S336 PolarHBondContact O-N 2.7Å; D333-A337 PolarHBondContact O-N 3.23Å; D333-R362 WeakPolarHBondContact OD1-CD 3.14Å; D333-R362 IonicContact OD1-CZ 3.7Å; D333-R362 IonicContact OD1-NH1 2.73Å; D333-R362 PolarHBondContact OD1-NH1 3.43Å; D333-R362 IonicContact OD2-NH1 2.7Å
334	G	95.6	Very high	95.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-72.9	-30.6	176.3	0	0	0	0	0	112.6	D331 L338	D331-G334 PolarHBondContact O-N 2.98Å; D331-G334 VanDerWaalsContact OD1-CA 3.24Å; D331-G334 WeakPolarHBondContact OD1-CA 3.38Å; D331-G334 PolarHBondContact OD1-N 3.29Å; G334-L338 WeakPolarHBondContact O-CG 3.1Å; G334-L338 PolarHBondContact O-N 3.38Å
335	A	96.3	Very high	94.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.5	-48.2	167.7	0	0	0	0	0	111.3	L330 D331 A337 L338 F339 I359	L330-A335 HydrophobicContact CB-CB 4.27Å; D331-A335 WeakPolarHBondContact O-CB 3.24Å; D331-A335 PolarHBondContact O-N 2.91Å; A335-A337 PolarHBondContact O-N 3.49Å; A335-L338 PolarHBondContact O-N 3.38Å; A335-F339 HydrophobicContact CB-CD2 4.42Å; A335-F339 HydrophobicContact CB-CE2 3.83Å; A335-F339 HydrophobicContact CB-CZ 4.14Å; A335-F339 WeakPolarHBondContact O-CB 3.35Å; A335-F339 WeakPolarHBondContact O-CD2 3.41Å; A335-F339 WeakPolarHBondContact O-CG 3.33Å; A335-F339 PolarHBondContact O-N 3.36Å; A335-I359 HydrophobicContact CB-CB 4.35Å; A335-I359 HydrophobicContact CB-CG1 3.96Å; A335-I359 HydrophobicContact CB-CG2 4.17Å
336	S	96.4	Very high	94.6	Very high	27 Å²	27	35 Å²	35	19%	0.189	18%	0.176	C	C	.	.	H	α-helix	trans	-54	-56.4	176	-164.5	0	0	0	0	110.8	E332 D333 L338 F339 D340	E332-S336 PolarHBondContact O-N 3.05Å; D333-S336 PolarHBondContact O-N 2.7Å; S336-L338 VanDerWaalsContact C-N 3.29Å; S336-L338 PolarHBondContact O-N 2.79Å; S336-F339 PolarHBondContact O-N 2.95Å; S336-D340 WeakPolarHBondContact O-CB 3.43Å; S336-D340 PolarHBondContact O-N 2.88Å; S336-D340 PolarHBondContact OG-OD2 3.47Å
337	A	96.1	Very high	94.3	Very high	16 Å²	16	34.3 Å²	34.3	13%	0.132	17%	0.172	C	C	.	.	H	α-helix	trans	-53.6	-43.1	-178.2	0	0	0	0	0	112.9	Y305 D333 A335 M341	Y305-A337 HydrophobicContact CE2-CB 4.35Å; D333-A337 PolarHBondContact O-N 3.23Å; A335-A337 PolarHBondContact O-N 3.49Å; A337-M341 VanDerWaalsContact C-CE 3.48Å; A337-M341 HydrophobicContact CB-CE 3.97Å; A337-M341 WeakPolarHBondContact O-CB 3.33Å; A337-M341 WeakPolarHBondContact O-CE 3.37Å; A337-M341 VanDerWaalsContact O-CG 3.24Å; A337-M341 WeakPolarHBondContact O-CG 3.18Å; A337-M341 PolarHBondContact O-N 3.01Å
338	L	96.5	Very high	94.3	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.021	15%	0.15	C	C	.	.	H	α-helix	trans	-66.9	-37.4	176.1	-73.1	177.7	0	0	0	113.1	C308 L311 L315 L325 L330 G334 A335 S336 M341 I342	C308-L338 HydrophobicContact CB-CD1 4.22Å; C308-L338 HydrophobicContact CB-CD2 4.15Å; C308-L338 HydrophobicContact CB-CG 3.87Å; L311-L338 HydrophobicContact CB-CD2 4.49Å; L311-L338 HydrophobicContact CD1-CD2 4.08Å; L315-L338 HydrophobicContact CD1-CD2 4.37Å; L325-L338 HydrophobicContact CD1-CD1 3.84Å; L325-L338 HydrophobicContact CD2-CD1 3.98Å; L330-L338 HydrophobicContact CD1-CD1 4.33Å; L330-L338 HydrophobicContact CD2-CD1 3.7Å; G334-L338 WeakPolarHBondContact O-CG 3.1Å; G334-L338 PolarHBondContact O-N 3.38Å; A335-L338 PolarHBondContact O-N 3.38Å; S336-L338 VanDerWaalsContact C-N 3.29Å; S336-L338 PolarHBondContact O-N 2.79Å; L338-M341 HydrophobicContact CD2-CE 4.16Å; L338-I342 WeakPolarHBondContact O-CB 3.17Å; L338-I342 WeakPolarHBondContact O-CD1 3.41Å; L338-I342 WeakPolarHBondContact O-CG1 3.24Å; L338-I342 PolarHBondContact O-N 3.17Å
339	F	96.8	Very high	94.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-75	-39.3	-178.6	-60.1	-18.9	0	0	0	112	A335 S336 M341 I342 E343 L351 I353 I359 G363 A366 A367 M370	A335-F339 HydrophobicContact CB-CD2 4.42Å; A335-F339 HydrophobicContact CB-CE2 3.83Å; A335-F339 HydrophobicContact CB-CZ 4.14Å; A335-F339 WeakPolarHBondContact O-CB 3.35Å; A335-F339 WeakPolarHBondContact O-CD2 3.41Å; A335-F339 WeakPolarHBondContact O-CG 3.33Å; A335-F339 PolarHBondContact O-N 3.36Å; S336-F339 PolarHBondContact O-N 2.95Å; F339-M341 VanDerWaalsContact C-N 3.34Å; F339-I342 PolarHBondContact O-N 2.81Å; F339-E343 WeakPolarHBondContact O-CB 3.39Å; F339-E343 PolarHBondContact O-N 2.84Å; F339-L351 HydrophobicContact CD1-CD2 4.26Å; F339-L351 HydrophobicContact CE1-CD2 4.15Å; F339-I353 HydrophobicContact CE1-CG2 3.65Å; F339-I353 HydrophobicContact CZ-CB 4.48Å; F339-I353 HydrophobicContact CZ-CD1 4.03Å; F339-I353 HydrophobicContact CZ-CG2 3.74Å; F339-I359 HydrophobicContact CE2-CG2 4.29Å; F339-I359 HydrophobicContact CZ-CD1 4.19Å; F339-G363 WeakPolarHBondContact CD2-O 3.5Å; F339-G363 WeakPolarHBondContact CE2-O 3.44Å; F339-A366 HydrophobicContact CB-CB 3.95Å; F339-A366 HydrophobicContact CD2-CB 4.23Å; F339-A367 HydrophobicContact CD2-CB 3.71Å; F339-A367 HydrophobicContact CE2-CB 3.83Å; F339-A367 HydrophobicContact CG-CB 4.45Å; F339-M370 HydrophobicContact CB-CE 3.53Å; F339-M370 HydrophobicContact CD1-CE 3.33Å; F339-M370 HydrophobicContact CD2-CE 4.35Å; F339-M370 HydrophobicContact CE1-CE 4.16Å; F339-M370 HydrophobicContact CG-CE 3.45Å; F339-M370 VanDerWaalsContact CG-CE 3.45Å
340	D	94.8	Very high	94.4	Very high	71 Å²	71	29 Å²	29	38%	0.38	15%	0.146	S	C	.	.	H	α-helix	trans	-62.1	-42.2	172.6	-58.3	-39.5	0	0	0	110.5	S336 Y344	S336-D340 WeakPolarHBondContact O-CB 3.43Å; S336-D340 PolarHBondContact O-N 2.88Å; S336-D340 PolarHBondContact OG-OD2 3.47Å; D340-Y344 WeakPolarHBondContact O-CB 3.48Å; D340-Y344 PolarHBondContact O-N 3.03Å
341	M	94.7	Very high	94.6	Very high	19 Å²	19	29.1 Å²	29.1	9%	0.094	15%	0.146	C	C	.	.	H	α-helix	trans	-63	-47.5	171	-78.9	-178.2	-104.2	0	0	113.1	C308 E312 L315 A337 L338 F339 E343 Y344 Y345	C308-M341 WeakPolarHBondContact O-CE 3.25Å; E312-M341 WeakPolarHBondContact CA-SD 3.49Å; E312-M341 HydrophobicContact CB-CE 4.45Å; E312-M341 HydrophobicContact CB-CG 4.47Å; E312-M341 HydrophobicContact CB-SD 3.4Å; E312-M341 WeakPolarHBondContact CB-SD 3.41Å; E312-M341 HydrophobicContact CG-CG 3.97Å; E312-M341 HydrophobicContact CG-SD 3.56Å; E312-M341 VanDerWaalsContact CG-SD 3.56Å; L315-M341 HydrophobicContact CD1-CB 4.14Å; L315-M341 HydrophobicContact CD1-SD 4.13Å; A337-M341 VanDerWaalsContact C-CE 3.48Å; A337-M341 HydrophobicContact CB-CE 3.97Å; A337-M341 WeakPolarHBondContact O-CB 3.33Å; A337-M341 WeakPolarHBondContact O-CE 3.37Å; A337-M341 VanDerWaalsContact O-CG 3.24Å; A337-M341 WeakPolarHBondContact O-CG 3.18Å; A337-M341 PolarHBondContact O-N 3.01Å; L338-M341 HydrophobicContact CD2-CE 4.16Å; F339-M341 VanDerWaalsContact C-N 3.34Å; M341-E343 VanDerWaalsContact C-N 3.29Å; M341-E343 PolarHBondContact O-N 2.78Å; M341-Y344 PolarHBondContact O-N 3.1Å; M341-Y345 HydrophobicContact CB-CD2 4.37Å; M341-Y345 WeakPolarHBondContact O-CB 3.47Å; M341-Y345 VanDerWaalsContact O-CD2 3.28Å; M341-Y345 WeakPolarHBondContact O-CD2 3.37Å; M341-Y345 PolarHBondContact O-N 3.28Å
342	I	93.8	Very high	94.8	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-64.9	-35.3	-177.6	-74.6	164.7	0	0	0	111	I323 L338 F339 E346 S347 A348 L351 M370	I323-I342 HydrophobicContact CD1-CD1 4.24Å; I323-I342 HydrophobicContact CD1-CG1 4.27Å; L338-I342 WeakPolarHBondContact O-CB 3.17Å; L338-I342 WeakPolarHBondContact O-CD1 3.41Å; L338-I342 WeakPolarHBondContact O-CG1 3.24Å; L338-I342 PolarHBondContact O-N 3.17Å; F339-I342 PolarHBondContact O-N 2.81Å; I342-E346 CarbonylContact O-C 3.43Å; I342-E346 WeakPolarHBondContact O-CA 3.39Å; I342-E346 PolarHBondContact O-N 3.34Å; I342-S347 PolarHBondContact O-N 3.4Å; I342-A348 HydrophobicContact CG2-CB 4.06Å; I342-L351 HydrophobicContact CD1-CD1 3.92Å; I342-L351 HydrophobicContact CD1-CD2 4.2Å; I342-M370 HydrophobicContact CG2-CE 4.44Å; I342-M370 HydrophobicContact CG2-CG 4.19Å; I342-M370 HydrophobicContact CG2-SD 4.13Å
343	E	92.6	Very high	94.9	Very high	36 Å²	36	23.4 Å²	23.4	17%	0.168	12%	0.118	C	C	.	.	H	α-helix	trans	-65.8	-59.5	171.2	-179.2	-179.3	153.4	0	0	111.5	F339 M341 Y345 E346 H369 M370 K373	F339-E343 WeakPolarHBondContact O-CB 3.39Å; F339-E343 PolarHBondContact O-N 2.84Å; M341-E343 VanDerWaalsContact C-N 3.29Å; M341-E343 PolarHBondContact O-N 2.78Å; E343-Y345 VanDerWaalsContact C-N 3.3Å; E343-Y345 PolarHBondContact O-N 3.03Å; E343-E346 PolarHBondContact O-N 3.11Å; E343-E346 VanDerWaalsContact O-N 3.1Å; E343-H369 IonicContact OE1-CE1 2.68Å; E343-H369 PolarHBondContact OE1-CE1 2.96Å; E343-H369 IonicContact OE1-ND1 3.33Å; E343-H369 PolarHBondContact OE1-ND1 3.04Å; E343-H369 IonicContact OE2-CE1 2.59Å; E343-H369 IonicContact OE2-CG 3.46Å; E343-H369 IonicContact OE2-ND1 2.82Å; E343-H369 PolarHBondContact OE2-ND1 3.22Å; E343-M370 HydrophobicContact CB-CB 4.06Å; E343-M370 HydrophobicContact CB-CG 4.07Å; E343-M370 VanDerWaalsContact OE2-CA 3.26Å; E343-M370 WeakPolarHBondContact OE2-CA 3.41Å; E343-M370 PolarHBondContact OE2-N 3.5Å; E343-M370 VanDerWaalsContact OE2-N 3.08Å; E343-K373 HydrophobicContact CG-CB 4.05Å; E343-K373 WeakPolarHBondContact OE1-CB 3.44Å; E343-K373 WeakPolarHBondContact OE1-CG 3.17Å
344	Y	91.9	Very high	95	Very high	76 Å²	76	20 Å²	20	30%	0.298	10%	0.1	S	C	.	.	H	α-helix	trans	-60	-39.7	-171.7	177.3	-96.6	0	0	0	112.8	E244 P245 P248 D340 M341	E244-Y344 HydrophobicContact CB-CE2 4.27Å; E244-Y344 WeakPolarHBondContact OE2-CE2 3.07Å; P245-Y344 PolarHBondContact O-OH 3.1Å; P248-Y344 HydrophobicContact CB-CD1 4.08Å; P248-Y344 HydrophobicContact CB-CE1 3.49Å; P248-Y344 VanDerWaalsContact CB-CE1 3.49Å; P248-Y344 WeakPolarHBondContact CG-O 3.23Å; D340-Y344 WeakPolarHBondContact O-CB 3.48Å; D340-Y344 PolarHBondContact O-N 3.03Å; M341-Y344 PolarHBondContact O-N 3.1Å
345	Y	91	Very high	95	Very high	24 Å²	24	23.7 Å²	23.7	9%	0.094	12%	0.116	C	C	.	.	H	α-helix	trans	-88.2	-16	178.5	-66	-65.8	0	0	0	113	P248 W249 E312 K316 M341 E343 S347	P248-Y345 HydrophobicContact CB-CD1 3.75Å; P248-Y345 HydrophobicContact CB-CE1 3.98Å; W249-Y345 WeakPolarHBondContact CZ2-O 3.22Å; W249-Y345 PolarHBondContact NE1-O 3.3Å; E312-Y345 HydrophobicContact CG-CE2 4.1Å; E312-Y345 PolarHBondContact OE1-OH 2.76Å; K316-Y345 HydrophobicContact CB-CD1 3.74Å; K316-Y345 HydrophobicContact CB-CD2 4.3Å; K316-Y345 HydrophobicContact CB-CE1 3.21Å; K316-Y345 HydrophobicContact CB-CE2 3.82Å; K316-Y345 HydrophobicContact CB-CG 4.29Å; K316-Y345 WeakPolarHBondContact CB-OH 3.42Å; M341-Y345 HydrophobicContact CB-CD2 4.37Å; M341-Y345 WeakPolarHBondContact O-CB 3.47Å; M341-Y345 VanDerWaalsContact O-CD2 3.28Å; M341-Y345 WeakPolarHBondContact O-CD2 3.37Å; M341-Y345 PolarHBondContact O-N 3.28Å; E343-Y345 VanDerWaalsContact C-N 3.3Å; E343-Y345 PolarHBondContact O-N 3.03Å; Y345-S347 VanDerWaalsContact C-N 3.27Å; Y345-S347 VanDerWaalsContact CB-OG 3.22Å; Y345-S347 WeakPolarHBondContact CB-OG 3.3Å; Y345-S347 PolarHBondContact O-N 3.41Å
346	E	90.9	Very high	95	Very high	57 Å²	57	23.7 Å²	23.7	27%	0.266	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	35.1	-165.1	-63.5	-152	125	0	0	113.8	R292 I342 E343 A348 T374 S375 S376	R292-E346 PolarHBondContact NH1-O 3.22Å; R292-E346 PolarHBondContact NH2-O 3.33Å; I342-E346 CarbonylContact O-C 3.43Å; I342-E346 WeakPolarHBondContact O-CA 3.39Å; I342-E346 PolarHBondContact O-N 3.34Å; E343-E346 PolarHBondContact O-N 3.11Å; E343-E346 VanDerWaalsContact O-N 3.1Å; E346-A348 VanDerWaalsContact C-N 3.26Å; E346-A348 PolarHBondContact O-N 2.74Å; E346-A348 VanDerWaalsContact O-N 3.1Å; E346-T374 HydrophobicContact CB-CG2 4.47Å; E346-T374 HydrophobicContact CG-CG2 4.13Å; E346-S375 WeakPolarHBondContact OE1-CA 3.3Å; E346-S375 VanDerWaalsContact OE1-CB 3.32Å; E346-S375 WeakPolarHBondContact OE1-CB 3.1Å; E346-S375 PolarHBondContact OE1-N 3.19Å; E346-S375 PolarHBondContact OE1-OG 3Å; E346-S375 PolarHBondContact OE2-OG 3.08Å; E346-S376 PolarHBondContact OE1-N 2.71Å
347	S	91.1	Very high	94.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.137	C	C	.	.			trans	-63.1	-20.1	-167.3	-56.6	0	0	0	0	116.2	R292 L315 F320 I342 Y345	R292-S347 VanDerWaalsContact NH1-C 3.25Å; R292-S347 PolarHBondContact NH1-O 2.78Å; L315-S347 PolarHBondContact O-OG 2.67Å; F320-S347 PolarHBondContact N-O 3.43Å; I342-S347 PolarHBondContact O-N 3.4Å; Y345-S347 VanDerWaalsContact C-N 3.27Å; Y345-S347 VanDerWaalsContact CB-OG 3.22Å; Y345-S347 WeakPolarHBondContact CB-OG 3.3Å; Y345-S347 PolarHBondContact O-N 3.41Å
348	A	94.4	Very high	94.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.155	C	C	.	.			trans	-128.8	154.2	-175	0	0	0	0	0	112.4	R292 F320 I323 I342 E346 S376	R292-A348 PolarHBondContact NH1-O 3.01Å; F320-A348 WeakPolarHBondContact O-CA 3Å; I323-A348 HydrophobicContact CD1-CB 3.91Å; I323-A348 HydrophobicContact CG1-CB 3.96Å; I342-A348 HydrophobicContact CG2-CB 4.06Å; E346-A348 VanDerWaalsContact C-N 3.26Å; E346-A348 PolarHBondContact O-N 2.74Å; E346-A348 VanDerWaalsContact O-N 3.1Å; A348-S376 PolarHBondContact O-OG 2.98Å; A348-S376 VanDerWaalsContact O-OG 3.07Å
349	T	95	Very high	94.6	Very high	21 Å²	21	33.6 Å²	33.6	13%	0.129	15%	0.154	C	C	.	.	S	Bend	trans	-109.8	-25.9	161.6	64	0	0	0	0	112	K321 S376 Q378 Y379	K321-T349 PolarHBondContact O-N 3.03Å; K321-T349 PolarHBondContact O-OG1 2.88Å; T349-S376 WeakPolarHBondContact CA-O 3.5Å; T349-S376 VanDerWaalsContact CB-O 3.31Å; T349-S376 WeakPolarHBondContact CB-O 3.41Å; T349-S376 WeakPolarHBondContact CG2-O 3.26Å; T349-Q378 PolarHBondContact O-N 3.11Å; T349-Y379 PolarHBondContact O-N 2.82Å
350	H	97.4	Very high	94.3	Very high	60 Å²	60	34 Å²	34	28%	0.278	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	131	176.3	-62.5	55.8	0	0	0	108.6	K321 V322 I323 Y379	K321-H350 PolarHBondContact O-N 3.24Å; V322-H350 CarbonylContact C-O 3.28Å; V322-H350 WeakPolarHBondContact CA-O 3.15Å; V322-H350 HydrophobicContact CB-CB 4.47Å; V322-H350 HydrophobicContact CG2-CB 4.07Å; I323-H350 PolarHBondContact N-O 3.26Å; H350-Y379 WeakPolarHBondContact CA-O 3.22Å; H350-Y379 HydrophobicContact CB-CD1 4.15Å; H350-Y379 HydrophobicContact CB-CG 4.41Å; H350-Y379 WeakPolarHBondContact CD2-CB 3.17Å; H350-Y379 AromaticContact CD2-CD1 3.69Å; H350-Y379 AromaticContact CD2-CD2 3.85Å; H350-Y379 AromaticContact CD2-CG 3.36Å
351	L	97.6	Very high	94.3	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	121	-178.3	179.3	60.2	0	0	0	110.3	I323 L325 F339 I342 I353 M370 L377 Y379 L380 E381	I323-L351 HydrophobicContact CB-CD1 4.14Å; I323-L351 HydrophobicContact CG2-CD1 4.42Å; L325-L351 HydrophobicContact CD1-CD1 3.95Å; F339-L351 HydrophobicContact CD1-CD2 4.26Å; F339-L351 HydrophobicContact CE1-CD2 4.15Å; I342-L351 HydrophobicContact CD1-CD1 3.92Å; I342-L351 HydrophobicContact CD1-CD2 4.2Å; L351-I353 HydrophobicContact CD1-CG2 4.1Å; L351-I353 HydrophobicContact CD2-CG2 4.22Å; L351-I353 HydrophobicContact CG-CG2 3.93Å; L351-M370 HydrophobicContact CD2-CE 3.4Å; L351-M370 HydrophobicContact CD2-SD 3.95Å; L351-L377 HydrophobicContact CB-CD1 4.03Å; L351-Y379 PolarHBondContact N-O 3.02Å; L351-L380 HydrophobicContact CB-CD1 4.11Å; L351-L380 HydrophobicContact CD2-CD1 4.07Å; L351-L380 HydrophobicContact CG-CD1 4.12Å; L351-E381 PolarHBondContact O-N 2.87Å
352	N	97.9	Very high	94.3	Very high	7 Å²	7	38.8 Å²	38.8	4%	0.037	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	116	171.8	-178	12.9	0	0	0	109.5	I323 D324 L325 E326 S354 E381	I323-N352 PolarHBondContact O-N 2.9Å; D324-N352 PolarHBondContact OD1-ND2 3.23Å; L325-N352 CarbonylContact C-O 3.57Å; L325-N352 WeakPolarHBondContact CA-O 3.23Å; L325-N352 VanDerWaalsContact CB-O 3.32Å; L325-N352 WeakPolarHBondContact CB-O 3.39Å; L325-N352 PolarHBondContact N-O 3.35Å; E326-N352 WeakPolarHBondContact CB-ND2 3.28Å; E326-N352 PolarHBondContact OE2-ND2 3.2Å; N352-S354 WeakPolarHBondContact OD1-CB 3.33Å; N352-S354 PolarHBondContact OD1-N 2.91Å; N352-S354 PolarHBondContact OD1-OG 3.2Å; N352-E381 HydrophobicContact CB-CB 4.09Å; N352-E381 PolarHBondContact ND2-OE2 3.38Å; N352-E381 PolarHBondContact OD1-OE2 3.39Å
353	I	96.9	Very high	94.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.175	C	C	.	.			trans	-118.3	20.8	176	55.8	165.9	0	0	0	111.3	L325 F339 L351 N356 I359 L380 E381 A382 T385	L325-I353 HydrophobicContact CB-CG2 4.42Å; L325-I353 HydrophobicContact CD1-CG2 4.05Å; F339-I353 HydrophobicContact CE1-CG2 3.65Å; F339-I353 HydrophobicContact CZ-CB 4.48Å; F339-I353 HydrophobicContact CZ-CD1 4.03Å; F339-I353 HydrophobicContact CZ-CG2 3.74Å; L351-I353 HydrophobicContact CD1-CG2 4.1Å; L351-I353 HydrophobicContact CD2-CG2 4.22Å; L351-I353 HydrophobicContact CG-CG2 3.93Å; I353-N356 PolarHBondContact O-ND2 3.24Å; I353-I359 HydrophobicContact CB-CD1 4.07Å; I353-I359 HydrophobicContact CD1-CD1 4.02Å; I353-I359 HydrophobicContact CG1-CD1 4.5Å; I353-L380 HydrophobicContact CD1-CD1 4.17Å; I353-L380 HydrophobicContact CG1-CD1 4.15Å; I353-E381 VanDerWaalsContact CG1-O 3.23Å; I353-E381 WeakPolarHBondContact CG1-O 3.14Å; I353-E381 PolarHBondContact N-O 3.25Å; I353-A382 HydrophobicContact CD1-CB 4.04Å; I353-A382 HydrophobicContact CG1-CB 3.94Å; I353-T385 PolarHBondContact O-OG1 2.88Å
354	S	97.5	Very high	94.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	151.6	-174.8	-61	0	0	0	0	113.5	E326 Q327 N352 N356 E381 R383	E326-S354 WeakPolarHBondContact CA-O 3.33Å; Q327-S354 PolarHBondContact N-O 3.28Å; N352-S354 WeakPolarHBondContact OD1-CB 3.33Å; N352-S354 PolarHBondContact OD1-N 2.91Å; N352-S354 PolarHBondContact OD1-OG 3.2Å; S354-N356 PolarHBondContact O-N 3Å; S354-N356 PolarHBondContact O-ND2 2.84Å; S354-E381 PolarHBondContact N-O 2.87Å; S354-R383 CarbonylContact C-O 3.57Å; S354-R383 WeakPolarHBondContact CA-O 3.42Å; S354-R383 WeakPolarHBondContact CB-O 3.32Å; S354-R383 PolarHBondContact OG-N 2.74Å; S354-R383 VanDerWaalsContact OG-N 3.11Å
355	F	96	Very high	94.7	Very high	77 Å²	77	38.3 Å²	38.3	34%	0.338	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	12.7	179.4	-60	-97.4	0	0	0	115.5	E326 Q327 K357 R383 N384 T385	E326-F355 HydrophobicContact CG-CD2 3.79Å; E326-F355 HydrophobicContact CG-CE2 4.43Å; Q327-F355 HydrophobicContact CG-CB 3.49Å; Q327-F355 VanDerWaalsContact CG-CB 3.49Å; Q327-F355 HydrophobicContact CG-CD2 4.23Å; Q327-F355 HydrophobicContact CG-CG 3.91Å; F355-K357 PolarHBondContact O-N 3.2Å; F355-R383 PolarHBondContact N-O 2.88Å; F355-N384 HydrophobicContact CB-CB 4.5Å; F355-N384 HydrophobicContact CD1-CB 3.6Å; F355-N384 HydrophobicContact CE1-CB 3.92Å; F355-N384 VanDerWaalsContact CE1-ND2 3.3Å; F355-N384 WeakPolarHBondContact CE1-ND2 3.48Å; F355-N384 HydrophobicContact CG-CB 3.94Å; F355-N384 VanDerWaalsContact CZ-ND2 3.3Å; F355-N384 WeakPolarHBondContact CZ-ND2 3.29Å; F355-T385 PolarHBondContact N-OG1 3.1Å
356	N	95.3	Very high	95	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.174	C	C	.	.			trans	-89.2	92	177.3	-71.1	-61	0	0	0	111	L325 T328 N329 L330 I353 S354 H358 I359 T385	L325-N356 PolarHBondContact O-ND2 2.85Å; T328-N356 PolarHBondContact N-OD1 3.48Å; T328-N356 PolarHBondContact OG1-OD1 2.84Å; N329-N356 PolarHBondContact N-OD1 2.92Å; L330-N356 HydrophobicContact CB-CB 4.45Å; L330-N356 PolarHBondContact N-OD1 2.82Å; I353-N356 PolarHBondContact O-ND2 3.24Å; S354-N356 PolarHBondContact O-N 3Å; S354-N356 PolarHBondContact O-ND2 2.84Å; N356-H358 PolarHBondContact O-N 3.3Å; N356-I359 HydrophobicContact CB-CD1 3.64Å; N356-I359 HydrophobicContact CB-CG1 3.79Å; N356-T385 PolarHBondContact N-OG1 2.99Å
357	K	92.8	Very high	95.2	Very high	146 Å²	146	34.8 Å²	34.8	64%	0.635	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-11.4	-174.7	-62.5	-179.9	-177.3	177	0	115.1	F355	F355-K357 PolarHBondContact O-N 3.2Å
358	H	93.4	Very high	95.4	Very high	108 Å²	108	35.1 Å²	35.1	50%	0.5	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	13.2	-168.6	-58.7	-60.7	0	0	0	114.3	L330 D331 E332 N356 G360	L330-H358 CarbonylContact O-C 3.56Å; L330-H358 WeakPolarHBondContact O-CB 3.36Å; D331-H358 CarbonylContact C-O 3.56Å; D331-H358 VanDerWaalsContact C-O 3.28Å; D331-H358 WeakPolarHBondContact CA-O 3.33Å; E332-H358 WeakPolarHBondContact CG-O 3.2Å; E332-H358 PolarHBondContact N-O 3.14Å; N356-H358 PolarHBondContact O-N 3.3Å; H358-G360 PolarHBondContact O-N 2.9Å
359	I	94.1	Very high	95.4	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	18%	0.179	C	C	.	.			trans	-59.4	-34.3	170.7	-71.2	-177.2	0	0	0	111.9	L330 E332 A335 F339 I353 N356 G363 W364 T385	L330-I359 HydrophobicContact CB-CG1 4.24Å; L330-I359 PolarHBondContact O-N 3Å; E332-I359 WeakPolarHBondContact CA-O 3.47Å; E332-I359 WeakPolarHBondContact CB-O 3.3Å; E332-I359 WeakPolarHBondContact CG-O 3.41Å; A335-I359 HydrophobicContact CB-CB 4.35Å; A335-I359 HydrophobicContact CB-CG1 3.96Å; A335-I359 HydrophobicContact CB-CG2 4.17Å; F339-I359 HydrophobicContact CE2-CG2 4.29Å; F339-I359 HydrophobicContact CZ-CD1 4.19Å; I353-I359 HydrophobicContact CB-CD1 4.07Å; I353-I359 HydrophobicContact CD1-CD1 4.02Å; I353-I359 HydrophobicContact CG1-CD1 4.5Å; N356-I359 HydrophobicContact CB-CD1 3.64Å; N356-I359 HydrophobicContact CB-CG1 3.79Å; I359-G363 VanDerWaalsContact O-CA 3.3Å; I359-G363 WeakPolarHBondContact O-CA 3.44Å; I359-G363 PolarHBondContact O-N 2.92Å; I359-G363 VanDerWaalsContact O-N 3.14Å; I359-W364 HydrophobicContact CG2-CG 4.31Å; I359-T385 HydrophobicContact CD1-CG2 3.88Å
360	G	92	Very high	95.4	Very high	10 Å²	10	37.3 Å²	37.3	10%	0.103	17%	0.173	C	C	.	.	H	α-helix	trans	52.4	-150.2	170.7	0	0	0	0	0	114.7	E332 H358 W364	E332-G360 WeakPolarHBondContact OE1-CA 3.46Å; H358-G360 PolarHBondContact O-N 2.9Å; G360-W364 WeakPolarHBondContact O-CB 3.38Å; G360-W364 PolarHBondContact O-N 3.33Å
361	T	93.8	Very high	95.2	Very high	43 Å²	43	34.6 Å²	34.6	26%	0.264	16%	0.16	S	C	.	.	H	α-helix	trans	-82.8	-41.1	-170	-56.6	0	0	0	0	113	E332 W364 Q365 S391 F394	E332-T361 VanDerWaalsContact CD-N 3.27Å; E332-T361 PolarHBondContact OE1-N 3.09Å; E332-T361 PolarHBondContact OE2-N 3.41Å; T361-W364 PolarHBondContact O-N 3.07Å; T361-Q365 WeakPolarHBondContact O-CB 3.3Å; T361-Q365 PolarHBondContact O-N 3.25Å; T361-S391 PolarHBondContact OG1-OG 3.45Å; T361-F394 HydrophobicContact CG2-CE2 3.98Å
362	R	94.4	Very high	94.9	Very high	147 Å²	147	38.9 Å²	38.9	56%	0.555	18%	0.176	S	C	*	.	H	α-helix	trans	-66.2	-45.7	178.2	-62.5	177.4	171.3	176.5	-2.1	111.5	E332 D333 W364 Q365 A366	E332-R362 HydrophobicContact CB-CB 4.1Å; E332-R362 PolarHBondContact OE2-N 2.85Å; D333-R362 WeakPolarHBondContact OD1-CD 3.14Å; D333-R362 IonicContact OD1-CZ 3.7Å; D333-R362 IonicContact OD1-NH1 2.73Å; D333-R362 PolarHBondContact OD1-NH1 3.43Å; D333-R362 IonicContact OD2-NH1 2.7Å; R362-W364 VanDerWaalsContact C-N 3.33Å; R362-W364 PolarHBondContact O-N 2.9Å; R362-Q365 WeakPolarHBondContact O-CB 3.36Å; R362-Q365 PolarHBondContact O-N 3.35Å; R362-Q365 VanDerWaalsContact O-N 3.09Å; R362-A366 PolarHBondContact O-N 2.96Å
363	G	95.7	Very high	94.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.7	-39.7	177.7	0	0	0	0	0	112.3	F339 I359 A367	F339-G363 WeakPolarHBondContact CD2-O 3.5Å; F339-G363 WeakPolarHBondContact CE2-O 3.44Å; I359-G363 VanDerWaalsContact O-CA 3.3Å; I359-G363 WeakPolarHBondContact O-CA 3.44Å; I359-G363 PolarHBondContact O-N 2.92Å; I359-G363 VanDerWaalsContact O-N 3.14Å; G363-A367 VanDerWaalsContact O-CB 3.29Å; G363-A367 WeakPolarHBondContact O-CB 3.36Å; G363-A367 PolarHBondContact O-N 2.63Å
364	W	96.1	Very high	94.2	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	20%	0.196	C	C	.	.	H	α-helix	trans	-69.9	-30.5	172.7	-86.2	124.7	0	0	0	113.9	I359 G360 T361 R362 A367 A368 A382 T385 P386 L387 V395 L410	I359-W364 HydrophobicContact CG2-CG 4.31Å; G360-W364 WeakPolarHBondContact O-CB 3.38Å; G360-W364 PolarHBondContact O-N 3.33Å; T361-W364 PolarHBondContact O-N 3.07Å; R362-W364 VanDerWaalsContact C-N 3.33Å; R362-W364 PolarHBondContact O-N 2.9Å; W364-A367 HydrophobicContact CE3-CB 4.08Å; W364-A368 VanDerWaalsContact O-CB 3.28Å; W364-A368 WeakPolarHBondContact O-CB 3.31Å; W364-A368 PolarHBondContact O-N 3.14Å; W364-A382 HydrophobicContact CH2-CB 3.63Å; W364-A382 HydrophobicContact CZ2-CB 4.21Å; W364-T385 HydrophobicContact CZ2-CG2 3.78Å; W364-P386 PolarHBondContact NE1-O 2.84Å; W364-L387 HydrophobicContact CB-CD1 4.5Å; W364-L387 HydrophobicContact CD2-CD1 3.56Å; W364-L387 HydrophobicContact CE3-CD1 3.99Å; W364-L387 HydrophobicContact CG-CD1 3.81Å; W364-L387 HydrophobicContact CH2-CD1 4.42Å; W364-L387 HydrophobicContact CZ2-CB 4.09Å; W364-L387 HydrophobicContact CZ2-CD1 4.04Å; W364-L387 HydrophobicContact CZ3-CD1 4.41Å; W364-V395 HydrophobicContact CD2-CG2 4.25Å; W364-V395 HydrophobicContact CE3-CG2 3.54Å; W364-V395 HydrophobicContact CZ3-CG2 4Å; W364-L410 HydrophobicContact CH2-CD2 3.78Å; W364-L410 HydrophobicContact CZ2-CD2 4.41Å
365	Q	96	Very high	93.7	Very high	102 Å²	102	47.5 Å²	47.5	48%	0.477	22%	0.224	S	C	.	.	H	α-helix	trans	-67.6	-44.8	173.8	-178.3	-179.5	-22.9	0	0	111.4	T361 R362 A368 H369 F394	T361-Q365 WeakPolarHBondContact O-CB 3.3Å; T361-Q365 PolarHBondContact O-N 3.25Å; R362-Q365 WeakPolarHBondContact O-CB 3.36Å; R362-Q365 PolarHBondContact O-N 3.35Å; R362-Q365 VanDerWaalsContact O-N 3.09Å; Q365-A368 PolarHBondContact O-N 2.64Å; Q365-H369 PolarHBondContact O-N 3.04Å; Q365-F394 HydrophobicContact CB-CD2 4.11Å; Q365-F394 HydrophobicContact CB-CE2 4.38Å; Q365-F394 HydrophobicContact CB-CG 4.29Å; Q365-F394 HydrophobicContact CG-CD1 4.21Å; Q365-F394 HydrophobicContact CG-CD2 4.48Å; Q365-F394 HydrophobicContact CG-CE1 4.35Å; Q365-F394 HydrophobicContact CG-CG 4.29Å
366	A	96.4	Very high	93.5	Very high	6 Å²	6	44.6 Å²	44.6	5%	0.05	21%	0.213	C	C	.	.	H	α-helix	trans	-65.9	-42	174.2	0	0	0	0	0	111.8	F339 R362 A368 H369 M370	F339-A366 HydrophobicContact CB-CB 3.95Å; F339-A366 HydrophobicContact CD2-CB 4.23Å; R362-A366 PolarHBondContact O-N 2.96Å; A366-A368 VanDerWaalsContact C-N 3.32Å; A366-A368 PolarHBondContact O-N 3.09Å; A366-H369 WeakPolarHBondContact O-CB 3.37Å; A366-H369 PolarHBondContact O-N 3.03Å; A366-H369 VanDerWaalsContact O-N 3.08Å; A366-M370 WeakPolarHBondContact O-CB 3.21Å; A366-M370 PolarHBondContact O-N 2.66Å
367	A	96	Very high	93.5	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.008	21%	0.214	C	C	.	.	H	α-helix	trans	-58.2	-43.7	172.5	0	0	0	0	0	111.7	F339 G363 W364 H369 M370 M371	F339-A367 HydrophobicContact CD2-CB 3.71Å; F339-A367 HydrophobicContact CE2-CB 3.83Å; F339-A367 HydrophobicContact CG-CB 4.45Å; G363-A367 VanDerWaalsContact O-CB 3.29Å; G363-A367 WeakPolarHBondContact O-CB 3.36Å; G363-A367 PolarHBondContact O-N 2.63Å; W364-A367 HydrophobicContact CE3-CB 4.08Å; A367-H369 VanDerWaalsContact C-N 3.31Å; A367-H369 PolarHBondContact O-N 3.47Å; A367-M370 PolarHBondContact O-N 2.83Å; A367-M371 WeakPolarHBondContact O-CB 3.2Å; A367-M371 WeakPolarHBondContact O-CG 3.4Å; A367-M371 PolarHBondContact O-N 2.95Å
368	A	95.5	Very high	93.6	Very high	7 Å²	7	42.6 Å²	42.6	6%	0.058	21%	0.206	C	C	.	.	H	α-helix	trans	-64.6	-33.5	175.4	0	0	0	0	0	112.9	W364 Q365 A366 R372 F394 V395 A398	W364-A368 VanDerWaalsContact O-CB 3.28Å; W364-A368 WeakPolarHBondContact O-CB 3.31Å; W364-A368 PolarHBondContact O-N 3.14Å; Q365-A368 PolarHBondContact O-N 2.64Å; A366-A368 VanDerWaalsContact C-N 3.32Å; A366-A368 PolarHBondContact O-N 3.09Å; A368-R372 WeakPolarHBondContact O-CB 3.5Å; A368-R372 PolarHBondContact O-N 2.97Å; A368-F394 VanDerWaalsContact CB-C 3.48Å; A368-F394 HydrophobicContact CB-CB 3.7Å; A368-F394 WeakPolarHBondContact CB-O 3.34Å; A368-V395 HydrophobicContact CB-CG2 4.28Å; A368-A398 HydrophobicContact CB-CB 3.95Å; A368-A398 WeakPolarHBondContact O-CB 3.25Å
369	H	93.8	Very high	93.8	Very high	66 Å²	66	40 Å²	40	31%	0.306	19%	0.192	S	C	.	.	H	α-helix	trans	-67	-50.1	174.2	-159.1	-91.9	0	0	0	111	E343 Q365 A366 A367 M371 R372 K373	E343-H369 IonicContact OE1-CE1 2.68Å; E343-H369 PolarHBondContact OE1-CE1 2.96Å; E343-H369 IonicContact OE1-ND1 3.33Å; E343-H369 PolarHBondContact OE1-ND1 3.04Å; E343-H369 IonicContact OE2-CE1 2.59Å; E343-H369 IonicContact OE2-CG 3.46Å; E343-H369 IonicContact OE2-ND1 2.82Å; E343-H369 PolarHBondContact OE2-ND1 3.22Å; Q365-H369 PolarHBondContact O-N 3.04Å; A366-H369 WeakPolarHBondContact O-CB 3.37Å; A366-H369 PolarHBondContact O-N 3.03Å; A366-H369 VanDerWaalsContact O-N 3.08Å; A367-H369 VanDerWaalsContact C-N 3.31Å; A367-H369 PolarHBondContact O-N 3.47Å; H369-M371 PolarHBondContact O-N 2.71Å; H369-R372 PolarHBondContact CD2-NH2 2.78Å; H369-R372 PolarHBondContact NE2-NH2 3.45Å; H369-R372 WeakPolarHBondContact O-CA 3.43Å; H369-R372 WeakPolarHBondContact O-CB 3.43Å; H369-R372 PolarHBondContact O-N 3.2Å; H369-K373 PolarHBondContact O-N 2.84Å
370	M	94.9	Very high	93.9	Very high	1 Å²	1	40 Å²	40	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-57	-47.3	175.8	178.3	-118.2	-67.4	0	0	112.1	F339 I342 E343 L351 A366 A367 R372 K373 T374 L377	F339-M370 HydrophobicContact CB-CE 3.53Å; F339-M370 HydrophobicContact CD1-CE 3.33Å; F339-M370 HydrophobicContact CD2-CE 4.35Å; F339-M370 HydrophobicContact CE1-CE 4.16Å; F339-M370 HydrophobicContact CG-CE 3.45Å; F339-M370 VanDerWaalsContact CG-CE 3.45Å; I342-M370 HydrophobicContact CG2-CE 4.44Å; I342-M370 HydrophobicContact CG2-CG 4.19Å; I342-M370 HydrophobicContact CG2-SD 4.13Å; E343-M370 HydrophobicContact CB-CB 4.06Å; E343-M370 HydrophobicContact CB-CG 4.07Å; E343-M370 VanDerWaalsContact OE2-CA 3.26Å; E343-M370 WeakPolarHBondContact OE2-CA 3.41Å; E343-M370 PolarHBondContact OE2-N 3.5Å; E343-M370 VanDerWaalsContact OE2-N 3.08Å; L351-M370 HydrophobicContact CD2-CE 3.4Å; L351-M370 HydrophobicContact CD2-SD 3.95Å; A366-M370 WeakPolarHBondContact O-CB 3.21Å; A366-M370 PolarHBondContact O-N 2.66Å; A367-M370 PolarHBondContact O-N 2.83Å; M370-R372 PolarHBondContact O-N 3.09Å; M370-K373 PolarHBondContact O-N 2.9Å; M370-T374 WeakPolarHBondContact CG-OG1 3.48Å; M370-T374 WeakPolarHBondContact O-CB 3.49Å; M370-T374 PolarHBondContact O-N 2.85Å; M370-T374 PolarHBondContact O-OG1 3.41Å; M370-L377 HydrophobicContact SD-CD2 3.63Å
371	M	94	Very high	94.2	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.015	19%	0.193	C	C	.	.	H	α-helix	trans	-61.4	-21.8	175.3	-71	164.5	77.1	0	0	114.2	A367 H369 L377 L380 V395 A398 L399 L405 L408	A367-M371 WeakPolarHBondContact O-CB 3.2Å; A367-M371 WeakPolarHBondContact O-CG 3.4Å; A367-M371 PolarHBondContact O-N 2.95Å; H369-M371 PolarHBondContact O-N 2.71Å; M371-L377 HydrophobicContact CG-CD2 4.31Å; M371-L380 HydrophobicContact CE-CD2 3.84Å; M371-L380 HydrophobicContact CG-CD2 3.91Å; M371-L380 HydrophobicContact SD-CD2 3.5Å; M371-L380 VanDerWaalsContact SD-CD2 3.5Å; M371-V395 HydrophobicContact CE-CG1 4.26Å; M371-A398 HydrophobicContact CB-CB 4.43Å; M371-L399 HydrophobicContact CE-CD1 4.08Å; M371-L399 HydrophobicContact CE-CD2 3.6Å; M371-L399 HydrophobicContact CE-CG 3.75Å; M371-L405 HydrophobicContact CE-CD2 3.79Å; M371-L408 HydrophobicContact CE-CD1 4.5Å
372	R	91.3	Very high	94.3	Very high	91 Å²	91	38.6 Å²	38.6	34%	0.343	18%	0.18	S	C	.	.	H	α-helix	trans	-91.3	-41.1	-179.6	-179.5	-179.3	68.3	158.7	1.8	112.1	A368 H369 M370 A398	A368-R372 WeakPolarHBondContact O-CB 3.5Å; A368-R372 PolarHBondContact O-N 2.97Å; H369-R372 PolarHBondContact CD2-NH2 2.78Å; H369-R372 PolarHBondContact NE2-NH2 3.45Å; H369-R372 WeakPolarHBondContact O-CA 3.43Å; H369-R372 WeakPolarHBondContact O-CB 3.43Å; H369-R372 PolarHBondContact O-N 3.2Å; M370-R372 PolarHBondContact O-N 3.09Å; R372-A398 HydrophobicContact CB-CB 4.22Å
373	K	89.5	Confident	94.5	Very high	102 Å²	102	34 Å²	34	44%	0.443	16%	0.163	S	C	.	.	H	α-helix	trans	-98.4	-31.9	-169.8	-69.2	-109.6	-173.1	172.5	0	114	E343 H369 M370 S375 D1092	E343-K373 HydrophobicContact CG-CB 4.05Å; E343-K373 WeakPolarHBondContact OE1-CB 3.44Å; E343-K373 WeakPolarHBondContact OE1-CG 3.17Å; H369-K373 PolarHBondContact O-N 2.84Å; M370-K373 PolarHBondContact O-N 2.9Å; K373-S375 PolarHBondContact O-N 2.98Å; K373-D1092 IonicContact NZ-OD2 2.66Å; K373-D1092 PolarHBondContact NZ-OD2 3.43Å
374	T	89.8	Confident	94.5	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.018	17%	0.174	C	C	.	.			trans	-69.5	126.5	-179.4	-44.3	0	0	0	0	110.6	E346 M370 S376 L377	E346-T374 HydrophobicContact CB-CG2 4.47Å; E346-T374 HydrophobicContact CG-CG2 4.13Å; M370-T374 WeakPolarHBondContact CG-OG1 3.48Å; M370-T374 WeakPolarHBondContact O-CB 3.49Å; M370-T374 PolarHBondContact O-N 2.85Å; M370-T374 PolarHBondContact O-OG1 3.41Å; T374-S376 WeakPolarHBondContact CG2-OG 3.37Å; T374-L377 HydrophobicContact CG2-CB 3.91Å
375	S	87.6	Confident	94.5	Very high	83 Å²	83	36.1 Å²	36.1	58%	0.58	17%	0.174	S	C	*	.	S	Bend	trans	-86.2	-28.9	178.7	76.8	0	0	0	0	112.6	E346 K373	E346-S375 WeakPolarHBondContact OE1-CA 3.3Å; E346-S375 VanDerWaalsContact OE1-CB 3.32Å; E346-S375 WeakPolarHBondContact OE1-CB 3.1Å; E346-S375 PolarHBondContact OE1-N 3.19Å; E346-S375 PolarHBondContact OE1-OG 3Å; E346-S375 PolarHBondContact OE2-OG 3.08Å; K373-S375 PolarHBondContact O-N 2.98Å
376	S	91.3	Very high	94.4	Very high	16 Å²	16	33.4 Å²	33.4	11%	0.112	17%	0.166	C	C	.	.	S	Bend	trans	-80.5	-21.1	-177.7	66.4	0	0	0	0	114.7	E346 A348 T349 T374 Q378	E346-S376 PolarHBondContact OE1-N 2.71Å; A348-S376 PolarHBondContact O-OG 2.98Å; A348-S376 VanDerWaalsContact O-OG 3.07Å; T349-S376 WeakPolarHBondContact CA-O 3.5Å; T349-S376 VanDerWaalsContact CB-O 3.31Å; T349-S376 WeakPolarHBondContact CB-O 3.41Å; T349-S376 WeakPolarHBondContact CG2-O 3.26Å; T374-S376 WeakPolarHBondContact CG2-OG 3.37Å; S376-Q378 PolarHBondContact O-N 3.12Å
377	L	94.3	Very high	94.3	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	17%	0.165	C	C	.	.			trans	-76.1	114.2	-176.3	-171	79.7	0	0	0	111.8	L351 M370 M371 T374 G404 L405	L351-L377 HydrophobicContact CB-CD1 4.03Å; M370-L377 HydrophobicContact SD-CD2 3.63Å; M371-L377 HydrophobicContact CG-CD2 4.31Å; T374-L377 HydrophobicContact CG2-CB 3.91Å; L377-G404 CarbonylContact O-C 3.52Å; L377-L405 HydrophobicContact CD2-CD1 4.13Å; L377-L405 HydrophobicContact CG-CD1 4.23Å; L377-L405 PolarHBondContact O-N 2.75Å
378	Q	95.7	Very high	93.9	Very high	101 Å²	101	36.9 Å²	36.9	47%	0.472	18%	0.183	S	C	.	.			trans	-111.5	-23.3	-177.8	-67.1	173.5	6	0	0	112.9	T349 S376 A406 V407	T349-Q378 PolarHBondContact O-N 3.11Å; S376-Q378 PolarHBondContact O-N 3.12Å; Q378-A406 PolarHBondContact O-N 3.06Å; Q378-V407 PolarHBondContact O-N 2.73Å
379	Y	97.1	Very high	93.7	Very high	54 Å²	54	40.4 Å²	40.4	21%	0.212	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	124	-167.3	-170.9	-82.9	0	0	0	111.3	T349 H350 L351 E381 V407 H409	T349-Y379 PolarHBondContact O-N 2.82Å; H350-Y379 WeakPolarHBondContact CA-O 3.22Å; H350-Y379 HydrophobicContact CB-CD1 4.15Å; H350-Y379 HydrophobicContact CB-CG 4.41Å; H350-Y379 WeakPolarHBondContact CD2-CB 3.17Å; H350-Y379 AromaticContact CD2-CD1 3.69Å; H350-Y379 AromaticContact CD2-CD2 3.85Å; H350-Y379 AromaticContact CD2-CG 3.36Å; L351-Y379 PolarHBondContact N-O 3.02Å; Y379-E381 HydrophobicContact CD1-CG 4.44Å; Y379-E381 HydrophobicContact CE1-CG 3.58Å; Y379-E381 PolarHBondContact OH-OE1 3.42Å; Y379-E381 VanDerWaalsContact OH-OE1 3.04Å; Y379-V407 HydrophobicContact CD2-CB 3.4Å; Y379-V407 HydrophobicContact CD2-CG1 3.57Å; Y379-V407 HydrophobicContact CD2-CG2 3.78Å; Y379-V407 HydrophobicContact CE2-CB 3.79Å; Y379-V407 HydrophobicContact CE2-CG1 3.38Å; Y379-V407 HydrophobicContact CE2-CG2 4.15Å; Y379-V407 HydrophobicContact CG-CB 4.16Å; Y379-V407 HydrophobicContact CG-CG1 4.42Å; Y379-H409 AromaticContact CZ-NE2 3.84Å; Y379-H409 PolarHBondContact OH-NE2 3.26Å; Y379-H409 VanDerWaalsContact OH-NE2 3.14Å
380	L	97.3	Very high	93.6	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	122	178.5	-178.6	63.8	0	0	0	111.5	L351 I353 M371 L405 V407 L408 H409	L351-L380 HydrophobicContact CB-CD1 4.11Å; L351-L380 HydrophobicContact CD2-CD1 4.07Å; L351-L380 HydrophobicContact CG-CD1 4.12Å; I353-L380 HydrophobicContact CD1-CD1 4.17Å; I353-L380 HydrophobicContact CG1-CD1 4.15Å; M371-L380 HydrophobicContact CE-CD2 3.84Å; M371-L380 HydrophobicContact CG-CD2 3.91Å; M371-L380 HydrophobicContact SD-CD2 3.5Å; M371-L380 VanDerWaalsContact SD-CD2 3.5Å; L380-L405 HydrophobicContact CB-CD1 3.85Å; L380-V407 PolarHBondContact N-O 3.46Å; L380-L408 HydrophobicContact CB-CD1 4.2Å; L380-L408 HydrophobicContact CD2-CD1 4.06Å; L380-L408 HydrophobicContact CG-CD1 4.28Å; L380-L408 WeakPolarHBondContact O-CA 3.49Å; L380-H409 PolarHBondContact O-N 2.76Å
381	E	97.7	Very high	93.5	Very high	23 Å²	23	44.3 Å²	44.3	11%	0.107	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	113.6	174.4	-90.3	179.2	170.2	0	0	111.5	L351 N352 I353 S354 Y379 R383 H409	L351-E381 PolarHBondContact O-N 2.87Å; N352-E381 HydrophobicContact CB-CB 4.09Å; N352-E381 PolarHBondContact ND2-OE2 3.38Å; N352-E381 PolarHBondContact OD1-OE2 3.39Å; I353-E381 VanDerWaalsContact CG1-O 3.23Å; I353-E381 WeakPolarHBondContact CG1-O 3.14Å; I353-E381 PolarHBondContact N-O 3.25Å; S354-E381 PolarHBondContact N-O 2.87Å; Y379-E381 HydrophobicContact CD1-CG 4.44Å; Y379-E381 HydrophobicContact CE1-CG 3.58Å; Y379-E381 PolarHBondContact OH-OE1 3.42Å; Y379-E381 VanDerWaalsContact OH-OE1 3.04Å; E381-R383 IonicContact OE1-CZ 2.69Å; E381-R383 VanDerWaalsContact OE1-CZ 3.23Å; E381-R383 IonicContact OE1-NH1 3.7Å; E381-R383 PolarHBondContact OE1-NH1 2.93Å; E381-R383 IonicContact OE1-NH2 3.66Å; E381-R383 PolarHBondContact OE1-NH2 3.34Å; E381-R383 VanDerWaalsContact OE1-NH2 3.09Å; E381-R383 IonicContact OE2-CZ 3.31Å; E381-R383 IonicContact OE2-NH1 2.68Å; E381-R383 IonicContact OE2-NH2 2.73Å; E381-R383 PolarHBondContact OE2-NH2 3.08Å; E381-H409 HydrophobicContact CG-CB 4.07Å
382	A	96.7	Very high	93.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.219	C	C	.	.			trans	-128.3	45.6	176	0	0	0	0	0	111.1	I353 W364 T385 H409 L410	I353-A382 HydrophobicContact CD1-CB 4.04Å; I353-A382 HydrophobicContact CG1-CB 3.94Å; W364-A382 HydrophobicContact CH2-CB 3.63Å; W364-A382 HydrophobicContact CZ2-CB 4.21Å; A382-T385 HydrophobicContact CB-CG2 4.43Å; A382-T385 PolarHBondContact O-N 3.44Å; A382-H409 CarbonylContact C-O 3.54Å; A382-H409 WeakPolarHBondContact CA-O 3.43Å; A382-H409 PolarHBondContact N-O 2.88Å; A382-L410 HydrophobicContact CB-CD2 4.08Å
383	R	96.9	Very high	93.8	Very high	49 Å²	49	42.3 Å²	42.3	19%	0.185	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	136.2	178.2	-57.6	-176.4	-74	-107.2	-13	110.1	S354 F355 E381 T385 H409 E411	S354-R383 CarbonylContact C-O 3.57Å; S354-R383 WeakPolarHBondContact CA-O 3.42Å; S354-R383 WeakPolarHBondContact CB-O 3.32Å; S354-R383 PolarHBondContact OG-N 2.74Å; S354-R383 VanDerWaalsContact OG-N 3.11Å; F355-R383 PolarHBondContact N-O 2.88Å; E381-R383 IonicContact OE1-CZ 2.69Å; E381-R383 VanDerWaalsContact OE1-CZ 3.23Å; E381-R383 IonicContact OE1-NH1 3.7Å; E381-R383 PolarHBondContact OE1-NH1 2.93Å; E381-R383 IonicContact OE1-NH2 3.66Å; E381-R383 PolarHBondContact OE1-NH2 3.34Å; E381-R383 VanDerWaalsContact OE1-NH2 3.09Å; E381-R383 IonicContact OE2-CZ 3.31Å; E381-R383 IonicContact OE2-NH1 2.68Å; E381-R383 IonicContact OE2-NH2 2.73Å; E381-R383 PolarHBondContact OE2-NH2 3.08Å; R383-T385 PolarHBondContact O-N 2.89Å; R383-H409 HydrophobicContact CG-CB 3.87Å; R383-E411 CarbonylContact C-O 3.58Å; R383-E411 VanDerWaalsContact CA-O 3.32Å; R383-E411 WeakPolarHBondContact CA-O 3.33Å; R383-E411 HydrophobicContact CB-CB 4.15Å; R383-E411 VanDerWaalsContact CD-CD 3.47Å; R383-E411 WeakPolarHBondContact CD-OE2 3.42Å; R383-E411 HydrophobicContact CG-CB 3.86Å; R383-E411 HydrophobicContact CG-CG 3.91Å
384	N	96.1	Very high	94.1	Very high	46 Å²	46	41 Å²	41	25%	0.246	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	23.3	-176.9	-57	-84.3	0	0	0	114.1	F355 E411 N412	F355-N384 HydrophobicContact CB-CB 4.5Å; F355-N384 HydrophobicContact CD1-CB 3.6Å; F355-N384 HydrophobicContact CE1-CB 3.92Å; F355-N384 VanDerWaalsContact CE1-ND2 3.3Å; F355-N384 WeakPolarHBondContact CE1-ND2 3.48Å; F355-N384 HydrophobicContact CG-CB 3.94Å; F355-N384 VanDerWaalsContact CZ-ND2 3.3Å; F355-N384 WeakPolarHBondContact CZ-ND2 3.29Å; N384-E411 PolarHBondContact N-O 3.15Å; N384-N412 PolarHBondContact OD1-ND2 2.98Å
385	T	96.1	Very high	94.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.212	C	C	.	.			trans	-111.3	110.1	176	-67.6	0	0	0	0	107.5	I353 F355 N356 I359 W364 A382 R383 L387 A413	I353-T385 PolarHBondContact O-OG1 2.88Å; F355-T385 PolarHBondContact N-OG1 3.1Å; N356-T385 PolarHBondContact N-OG1 2.99Å; I359-T385 HydrophobicContact CD1-CG2 3.88Å; W364-T385 HydrophobicContact CZ2-CG2 3.78Å; A382-T385 HydrophobicContact CB-CG2 4.43Å; A382-T385 PolarHBondContact O-N 3.44Å; R383-T385 PolarHBondContact O-N 2.89Å; T385-L387 PolarHBondContact O-N 3.4Å; T385-A413 WeakPolarHBondContact O-CB 3.23Å
386	P	94.1	Very high	94.7	Very high	46 Å²	46	37.1 Å²	37.1	30%	0.299	19%	0.186	S	C	.	.			trans	-71.8	125.1	-168	27.7	-33.9	0	0	0	112	W364 L388 A413	W364-P386 PolarHBondContact NE1-O 2.84Å; P386-L388 HydrophobicContact CB-CD2 4.36Å; P386-A413 CarbonylContact C-O 3.4Å; P386-A413 WeakPolarHBondContact CA-O 3.25Å
387	L	94.2	Very high	94.8	Very high	5 Å²	5	40.1 Å²	40.1	3%	0.026	20%	0.195	C	C	.	.			trans	-93.4	95.2	171.3	-177	67	0	0	0	109.1	W364 T385 A392 V395 A413 L415	W364-L387 HydrophobicContact CB-CD1 4.5Å; W364-L387 HydrophobicContact CD2-CD1 3.56Å; W364-L387 HydrophobicContact CE3-CD1 3.99Å; W364-L387 HydrophobicContact CG-CD1 3.81Å; W364-L387 HydrophobicContact CH2-CD1 4.42Å; W364-L387 HydrophobicContact CZ2-CB 4.09Å; W364-L387 HydrophobicContact CZ2-CD1 4.04Å; W364-L387 HydrophobicContact CZ3-CD1 4.41Å; T385-L387 PolarHBondContact O-N 3.4Å; L387-A392 HydrophobicContact CD2-CB 4.09Å; L387-A392 HydrophobicContact CG-CB 4.1Å; L387-V395 HydrophobicContact CD1-CB 4.25Å; L387-V395 HydrophobicContact CD1-CG2 3.67Å; L387-V395 HydrophobicContact CD2-CB 4.42Å; L387-V395 HydrophobicContact CD2-CG1 4.42Å; L387-A413 HydrophobicContact CB-CB 4.49Å; L387-A413 PolarHBondContact N-O 3.32Å; L387-L415 HydrophobicContact CB-CD2 4.07Å; L387-L415 HydrophobicContact CD2-CD2 3.65Å; L387-L415 HydrophobicContact CG-CD2 4.39Å
388	L	87.4	Confident	94.8	Very high	75 Å²	75	40.2 Å²	40.2	39%	0.393	20%	0.195	S	C	.	.			trans	-65.3	151.9	-177.2	-48.6	175	0	0	0	111.4	P386 H390 S391 A392	P386-L388 HydrophobicContact CB-CD2 4.36Å; L388-H390 PolarHBondContact O-N 2.82Å; L388-S391 WeakPolarHBondContact O-CA 3.44Å; L388-S391 WeakPolarHBondContact O-CB 3.43Å; L388-S391 PolarHBondContact O-N 2.95Å; L388-A392 PolarHBondContact O-N 3.32Å
389	D	91.2	Very high	94.8	Very high	80 Å²	80	35.4 Å²	35.4	43%	0.428	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-32.3	177.1	-75.5	49.1	0	0	0	114.6	P393	D389-P393 VanDerWaalsContact O-CD 3.3Å; D389-P393 WeakPolarHBondContact O-CD 3.43Å
390	H	91.9	Very high	94.5	Very high	150 Å²	150	37.9 Å²	37.9	69%	0.694	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-23.3	177.2	-57.9	88.3	0	0	0	112.7	L388 F394	L388-H390 PolarHBondContact O-N 2.82Å; H390-F394 WeakPolarHBondContact O-CE2 3.37Å
391	S	93.8	Very high	93.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-31.4	-178.7	-43.8	0	0	0	0	112.5	T361 L388 F394	T361-S391 PolarHBondContact OG1-OG 3.45Å; L388-S391 WeakPolarHBondContact O-CA 3.44Å; L388-S391 WeakPolarHBondContact O-CB 3.43Å; L388-S391 PolarHBondContact O-N 2.95Å; S391-F394 PolarHBondContact O-N 3.37Å; S391-F394 VanDerWaalsContact O-N 3.15Å
392	A	95.4	Very high	92.8	Very high	2 Å²	2	42.9 Å²	42.9	2%	0.017	21%	0.208	C	C	.	.	H	α-helix	trans	-54.2	-35.9	179.7	0	0	0	0	0	115.5	L387 L388 F394 V395 A396 P419 L422	L387-A392 HydrophobicContact CD2-CB 4.09Å; L387-A392 HydrophobicContact CG-CB 4.1Å; L388-A392 PolarHBondContact O-N 3.32Å; A392-F394 VanDerWaalsContact C-N 3.33Å; A392-F394 PolarHBondContact O-N 2.87Å; A392-V395 PolarHBondContact O-N 3.38Å; A392-A396 VanDerWaalsContact O-CB 3.28Å; A392-A396 WeakPolarHBondContact O-CB 3.41Å; A392-A396 PolarHBondContact O-N 3.14Å; A392-P419 HydrophobicContact CB-CB 3.79Å; A392-P419 HydrophobicContact CB-CG 4.33Å; A392-L422 HydrophobicContact CB-CD1 4.27Å
393	P	95.6	Very high	91.6	Very high	50 Å²	50	45 Å²	45	33%	0.325	23%	0.231	S	C	.	.	H	α-helix	trans	-58.8	-38.6	175.2	-25.7	34.7	0	0	0	113.7	D389 R397 L422	D389-P393 VanDerWaalsContact O-CD 3.3Å; D389-P393 WeakPolarHBondContact O-CD 3.43Å; P393-R397 VanDerWaalsContact O-CB 3.32Å; P393-R397 WeakPolarHBondContact O-CB 3.4Å; P393-R397 PolarHBondContact O-N 2.88Å; P393-L422 HydrophobicContact CG-CD1 3.9Å
394	F	95.4	Very high	91.2	Very high	74 Å²	74	43.7 Å²	43.7	33%	0.325	23%	0.232	S	C	.	.	H	α-helix	trans	-66.3	-50.7	178.9	-53.9	-64.2	0	0	0	110.8	T361 Q365 A368 H390 S391 A392 A396 R397 A398	T361-F394 HydrophobicContact CG2-CE2 3.98Å; Q365-F394 HydrophobicContact CB-CD2 4.11Å; Q365-F394 HydrophobicContact CB-CE2 4.38Å; Q365-F394 HydrophobicContact CB-CG 4.29Å; Q365-F394 HydrophobicContact CG-CD1 4.21Å; Q365-F394 HydrophobicContact CG-CD2 4.48Å; Q365-F394 HydrophobicContact CG-CE1 4.35Å; Q365-F394 HydrophobicContact CG-CG 4.29Å; A368-F394 VanDerWaalsContact CB-C 3.48Å; A368-F394 HydrophobicContact CB-CB 3.7Å; A368-F394 WeakPolarHBondContact CB-O 3.34Å; H390-F394 WeakPolarHBondContact O-CE2 3.37Å; S391-F394 PolarHBondContact O-N 3.37Å; S391-F394 VanDerWaalsContact O-N 3.15Å; A392-F394 VanDerWaalsContact C-N 3.33Å; A392-F394 PolarHBondContact O-N 2.87Å; F394-A396 VanDerWaalsContact C-N 3.3Å; F394-A396 PolarHBondContact O-N 2.78Å; F394-R397 PolarHBondContact O-N 3.17Å; F394-R397 VanDerWaalsContact O-N 3.14Å; F394-A398 WeakPolarHBondContact O-CB 3.46Å; F394-A398 PolarHBondContact O-N 3.1Å
395	V	95.4	Very high	91.1	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	22%	0.22	C	C	.	.	H	α-helix	trans	-61.4	-38.8	178.6	177	0	0	0	0	111.1	W364 A368 M371 L387 A392 L399	W364-V395 HydrophobicContact CD2-CG2 4.25Å; W364-V395 HydrophobicContact CE3-CG2 3.54Å; W364-V395 HydrophobicContact CZ3-CG2 4Å; A368-V395 HydrophobicContact CB-CG2 4.28Å; M371-V395 HydrophobicContact CE-CG1 4.26Å; L387-V395 HydrophobicContact CD1-CB 4.25Å; L387-V395 HydrophobicContact CD1-CG2 3.67Å; L387-V395 HydrophobicContact CD2-CB 4.42Å; L387-V395 HydrophobicContact CD2-CG1 4.42Å; A392-V395 PolarHBondContact O-N 3.38Å; V395-L399 HydrophobicContact CG1-CD1 3.72Å; V395-L399 HydrophobicContact CG1-CG 4.39Å; V395-L399 VanDerWaalsContact O-CB 3.31Å; V395-L399 WeakPolarHBondContact O-CB 3.43Å; V395-L399 VanDerWaalsContact O-CG 3.3Å; V395-L399 WeakPolarHBondContact O-CG 3.26Å; V395-L399 PolarHBondContact O-N 3.04Å
396	A	95.6	Very high	91.1	Very high	4 Å²	4	42.9 Å²	42.9	3%	0.033	23%	0.231	C	C	.	.	H	α-helix	trans	-67.9	-41.1	173.5	0	0	0	0	0	113	A392 F394 A398 L399 R400 L422 A426	A392-A396 VanDerWaalsContact O-CB 3.28Å; A392-A396 WeakPolarHBondContact O-CB 3.41Å; A392-A396 PolarHBondContact O-N 3.14Å; F394-A396 VanDerWaalsContact C-N 3.3Å; F394-A396 PolarHBondContact O-N 2.78Å; A396-A398 VanDerWaalsContact C-N 3.32Å; A396-A398 PolarHBondContact O-N 2.86Å; A396-L399 PolarHBondContact O-N 3.25Å; A396-R400 PolarHBondContact O-N 3.47Å; A396-R400 VanDerWaalsContact O-N 3.09Å; A396-L422 HydrophobicContact CB-CB 3.95Å; A396-A426 HydrophobicContact CB-CB 4.05Å; A396-A426 WeakPolarHBondContact O-CB 3.42Å
397	R	93.6	Very high	91.3	Very high	79 Å²	79	41.3 Å²	41.3	30%	0.298	22%	0.221	S	C	.	.	H	α-helix	trans	-64.5	-37.6	176	-172	171.7	177.1	-165	-10.9	111.2	P393 F394 D1088	P393-R397 VanDerWaalsContact O-CB 3.32Å; P393-R397 WeakPolarHBondContact O-CB 3.4Å; P393-R397 PolarHBondContact O-N 2.88Å; F394-R397 PolarHBondContact O-N 3.17Å; F394-R397 VanDerWaalsContact O-N 3.14Å; R397-D1088 IonicContact CZ-OD2 2.71Å; R397-D1088 IonicContact NH1-OD2 3.7Å; R397-D1088 PolarHBondContact NH1-OD2 3.28Å; R397-D1088 IonicContact NH2-OD2 2.65Å; R397-D1088 PolarHBondContact NH2-OD2 3.45Å
398	A	94.3	Very high	91.4	Very high	3 Å²	3	41.1 Å²	41.1	3%	0.025	22%	0.22	C	C	.	.	H	α-helix	trans	-66.2	-53.8	173	0	0	0	0	0	112.3	A368 M371 R372 F394 A396 R400 I401 S402	A368-A398 HydrophobicContact CB-CB 3.95Å; A368-A398 WeakPolarHBondContact O-CB 3.25Å; M371-A398 HydrophobicContact CB-CB 4.43Å; R372-A398 HydrophobicContact CB-CB 4.22Å; F394-A398 WeakPolarHBondContact O-CB 3.46Å; F394-A398 PolarHBondContact O-N 3.1Å; A396-A398 VanDerWaalsContact C-N 3.32Å; A396-A398 PolarHBondContact O-N 2.86Å; A398-R400 PolarHBondContact O-N 3.14Å; A398-R400 VanDerWaalsContact O-N 3.1Å; A398-I401 CarbonylContact O-C 3.3Å; A398-I401 PolarHBondContact O-N 3.44Å; A398-S402 WeakPolarHBondContact O-CA 3.39Å; A398-S402 PolarHBondContact O-N 3.31Å
399	L	93.9	Very high	91.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-66.9	-9.6	-179	-72.3	171.3	0	0	0	114.5	M371 V395 A396 I401 L405 L408 L423 L427 N430	M371-L399 HydrophobicContact CE-CD1 4.08Å; M371-L399 HydrophobicContact CE-CD2 3.6Å; M371-L399 HydrophobicContact CE-CG 3.75Å; V395-L399 HydrophobicContact CG1-CD1 3.72Å; V395-L399 HydrophobicContact CG1-CG 4.39Å; V395-L399 VanDerWaalsContact O-CB 3.31Å; V395-L399 WeakPolarHBondContact O-CB 3.43Å; V395-L399 VanDerWaalsContact O-CG 3.3Å; V395-L399 WeakPolarHBondContact O-CG 3.26Å; V395-L399 PolarHBondContact O-N 3.04Å; A396-L399 PolarHBondContact O-N 3.25Å; L399-I401 VanDerWaalsContact C-N 3.3Å; L399-L405 HydrophobicContact CD2-CD2 3.72Å; L399-L408 HydrophobicContact CD1-CD2 3.53Å; L399-L408 HydrophobicContact CD2-CD2 4.15Å; L399-L423 HydrophobicContact CD1-CD1 3.37Å; L399-L427 HydrophobicContact CB-CD2 4.12Å; L399-N430 WeakPolarHBondContact O-CB 3.47Å; L399-N430 PolarHBondContact O-ND2 2.99Å
400	R	92.2	Very high	92.2	Very high	106 Å²	106	34.3 Å²	34.3	40%	0.4	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-25.3	169.1	-166.4	-179.2	-63.3	175.2	1.1	112.4	A396 A398 A426 M429	A396-R400 PolarHBondContact O-N 3.47Å; A396-R400 VanDerWaalsContact O-N 3.09Å; A398-R400 PolarHBondContact O-N 3.14Å; A398-R400 VanDerWaalsContact O-N 3.1Å; R400-A426 HydrophobicContact CB-CB 4.1Å; R400-M429 HydrophobicContact CG-CB 4.49Å
401	I	83.1	Confident	92.5	Very high	129 Å²	129	28.1 Å²	28.1	66%	0.662	16%	0.155	S	C	*	.	S	Bend	trans	-139.8	17.3	-170.9	-29.1	-179.5	0	0	0	112.2	A398 L399 G403	A398-I401 CarbonylContact O-C 3.3Å; A398-I401 PolarHBondContact O-N 3.44Å; L399-I401 VanDerWaalsContact C-N 3.3Å; I401-G403 PolarHBondContact O-N 3.45Å
402	S	75.7	Confident	92.6	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.007	17%	0.172	C	C	.	.			trans	-61.5	123.5	-169.7	56.2	0	0	0	0	113.2	A398 N430 N432	A398-S402 WeakPolarHBondContact O-CA 3.39Å; A398-S402 PolarHBondContact O-N 3.31Å; S402-N430 PolarHBondContact OG-ND2 3.03Å; S402-N432 PolarHBondContact O-ND2 2.78Å
403	G	71.7	Confident	92.6	Very high	46 Å²	46	31.3 Å²	31.3	47%	0.474	17%	0.172	S	C	.	.	S	Bend	trans	-63.5	-45.1	-167.1	0	0	0	0	0	115.9	I401 N432	I401-G403 PolarHBondContact O-N 3.45Å; G403-N432 PolarHBondContact O-ND2 3.32Å; G403-N432 VanDerWaalsContact O-ND2 3.11Å
404	G	87.6	Confident	92.5	Very high	20 Å²	20	30.9 Å²	30.9	21%	0.206	18%	0.177	C	C	.	.	S	Bend	trans	-128.3	-11.8	-173.8	0	0	0	0	0	116.8	L377 A406	L377-G404 CarbonylContact O-C 3.52Å; G404-A406 PolarHBondContact O-N 3.39Å
405	L	94.7	Very high	92.5	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	16%	0.161	C	C	.	.			trans	-67.6	116.8	-168.8	-163.2	79.5	0	0	0	112.7	M371 L377 L380 L399 L408 N432 L433	M371-L405 HydrophobicContact CE-CD2 3.79Å; L377-L405 HydrophobicContact CD2-CD1 4.13Å; L377-L405 HydrophobicContact CG-CD1 4.23Å; L377-L405 PolarHBondContact O-N 2.75Å; L380-L405 HydrophobicContact CB-CD1 3.85Å; L399-L405 HydrophobicContact CD2-CD2 3.72Å; L405-L408 HydrophobicContact CD2-CB 4.24Å; L405-L408 HydrophobicContact CD2-CD1 4.39Å; L405-N432 CarbonylContact O-C 3.58Å; L405-L433 HydrophobicContact CD2-CD1 4.2Å; L405-L433 HydrophobicContact CG-CD1 4.33Å; L405-L433 PolarHBondContact O-N 3.33Å
406	A	95.9	Very high	92.4	Very high	28 Å²	28	29.9 Å²	29.9	23%	0.231	18%	0.178	C	C	.	.			trans	-103	-30.2	179.6	0	0	0	0	0	113	Q378 G404 R434 E435	Q378-A406 PolarHBondContact O-N 3.06Å; G404-A406 PolarHBondContact O-N 3.39Å; A406-R434 HydrophobicContact CB-CG 4.48Å; A406-R434 PolarHBondContact O-N 3.04Å; A406-E435 PolarHBondContact O-N 3.39Å
407	V	97.9	Very high	92.3	Very high	14 Å²	14	30.8 Å²	30.8	9%	0.085	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	135.7	-177.6	-178.6	0	0	0	0	111.7	Q378 Y379 L380 E435 Y437	Q378-V407 PolarHBondContact O-N 2.73Å; Y379-V407 HydrophobicContact CD2-CB 3.4Å; Y379-V407 HydrophobicContact CD2-CG1 3.57Å; Y379-V407 HydrophobicContact CD2-CG2 3.78Å; Y379-V407 HydrophobicContact CE2-CB 3.79Å; Y379-V407 HydrophobicContact CE2-CG1 3.38Å; Y379-V407 HydrophobicContact CE2-CG2 4.15Å; Y379-V407 HydrophobicContact CG-CB 4.16Å; Y379-V407 HydrophobicContact CG-CG1 4.42Å; L380-V407 PolarHBondContact N-O 3.46Å; V407-E435 HydrophobicContact CB-CB 4.3Å; V407-E435 HydrophobicContact CG1-CB 3.98Å; V407-E435 HydrophobicContact CG2-CB 3.99Å; V407-E435 HydrophobicContact CG2-CG 3.97Å; V407-Y437 HydrophobicContact CG1-CD2 4.49Å; V407-Y437 HydrophobicContact CG1-CE2 4.06Å
408	L	97.5	Very high	92.4	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	115.3	-180	179.1	60.3	0	0	0	111.7	M371 L380 L399 L405 L410 L433 E435 L436 Y437	M371-L408 HydrophobicContact CE-CD1 4.5Å; L380-L408 HydrophobicContact CB-CD1 4.2Å; L380-L408 HydrophobicContact CD2-CD1 4.06Å; L380-L408 HydrophobicContact CG-CD1 4.28Å; L380-L408 WeakPolarHBondContact O-CA 3.49Å; L399-L408 HydrophobicContact CD1-CD2 3.53Å; L399-L408 HydrophobicContact CD2-CD2 4.15Å; L405-L408 HydrophobicContact CD2-CB 4.24Å; L405-L408 HydrophobicContact CD2-CD1 4.39Å; L408-L410 HydrophobicContact CD1-CD1 4.26Å; L408-L410 HydrophobicContact CD1-CD2 4.43Å; L408-L410 HydrophobicContact CD1-CG 4Å; L408-L410 HydrophobicContact CD2-CD1 3.79Å; L408-L410 HydrophobicContact CD2-CG 4.37Å; L408-L410 HydrophobicContact CG-CD1 3.97Å; L408-L410 HydrophobicContact CG-CG 3.99Å; L408-L433 HydrophobicContact CB-CD1 3.84Å; L408-E435 PolarHBondContact N-O 3.19Å; L408-L436 HydrophobicContact CB-CD1 4.28Å; L408-L436 HydrophobicContact CD2-CD1 3.97Å; L408-L436 HydrophobicContact CG-CD1 4.26Å; L408-Y437 PolarHBondContact O-N 2.91Å
409	H	98.1	Very high	92.4	Very high	12 Å²	12	32.6 Å²	32.6	6%	0.056	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	119.3	168.2	-64.3	-107.1	0	0	0	111	Y379 L380 E381 A382 R383 E411 Y437	Y379-H409 AromaticContact CZ-NE2 3.84Å; Y379-H409 PolarHBondContact OH-NE2 3.26Å; Y379-H409 VanDerWaalsContact OH-NE2 3.14Å; L380-H409 PolarHBondContact O-N 2.76Å; E381-H409 HydrophobicContact CG-CB 4.07Å; A382-H409 CarbonylContact C-O 3.54Å; A382-H409 WeakPolarHBondContact CA-O 3.43Å; A382-H409 PolarHBondContact N-O 2.88Å; R383-H409 HydrophobicContact CG-CB 3.87Å; H409-E411 HydrophobicContact CB-CG 4.46Å; H409-E411 IonicContact CE1-OE1 2.66Å; H409-E411 IonicContact CG-OE1 3.72Å; H409-E411 IonicContact ND1-OE1 2.67Å; H409-E411 PolarHBondContact ND1-OE1 3.11Å; H409-Y437 AromaticContact CD2-CD2 3.77Å; H409-Y437 AromaticContact CE1-CD1 3.79Å; H409-Y437 AromaticContact CE1-CD2 3.21Å; H409-Y437 WeakPolarHBondContact CE1-CD2 3.06Å; H409-Y437 AromaticContact CE1-CE1 3.97Å; H409-Y437 AromaticContact CE1-CE2 3.41Å; H409-Y437 VanDerWaalsContact CE1-CE2 3.41Å; H409-Y437 WeakPolarHBondContact CE1-CE2 2.95Å; H409-Y437 AromaticContact CE1-CG 3.42Å; H409-Y437 VanDerWaalsContact CE1-CG 3.42Å; H409-Y437 AromaticContact CE1-CZ 3.8Å; H409-Y437 AromaticContact CG-CD2 3.75Å; H409-Y437 WeakPolarHBondContact ND1-CB 3.3Å; H409-Y437 AromaticContact ND1-CD1 3.98Å; H409-Y437 AromaticContact ND1-CD2 3.44Å; H409-Y437 WeakPolarHBondContact ND1-CD2 3.32Å; H409-Y437 AromaticContact ND1-CG 3.36Å; H409-Y437 AromaticContact NE2-CD2 3.43Å; H409-Y437 WeakPolarHBondContact NE2-CD2 3.39Å; H409-Y437 AromaticContact NE2-CE2 3.43Å; H409-Y437 WeakPolarHBondContact NE2-CE2 3.39Å
410	L	97.2	Very high	92.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.195	C	C	.	.			trans	-124.5	38.9	173.5	-70.4	167.6	0	0	0	110.4	W364 A382 L408 N412 A413 L415 L423 Y437 N441	W364-L410 HydrophobicContact CH2-CD2 3.78Å; W364-L410 HydrophobicContact CZ2-CD2 4.41Å; A382-L410 HydrophobicContact CB-CD2 4.08Å; L408-L410 HydrophobicContact CD1-CD1 4.26Å; L408-L410 HydrophobicContact CD1-CD2 4.43Å; L408-L410 HydrophobicContact CD1-CG 4Å; L408-L410 HydrophobicContact CD2-CD1 3.79Å; L408-L410 HydrophobicContact CD2-CG 4.37Å; L408-L410 HydrophobicContact CG-CD1 3.97Å; L408-L410 HydrophobicContact CG-CG 3.99Å; L410-N412 PolarHBondContact O-N 3.48Å; L410-A413 HydrophobicContact CB-CB 4Å; L410-A413 HydrophobicContact CD2-CB 4.19Å; L410-A413 VanDerWaalsContact O-CB 3.27Å; L410-A413 WeakPolarHBondContact O-CB 3.28Å; L410-A413 PolarHBondContact O-N 3.13Å; L410-L415 HydrophobicContact CB-CD1 3.81Å; L410-L415 HydrophobicContact CD1-CD1 4.16Å; L410-L423 HydrophobicContact CD1-CD2 3.92Å; L410-Y437 CarbonylContact C-O 3.54Å; L410-Y437 PolarHBondContact N-O 3.07Å; L410-N441 PolarHBondContact O-ND2 3.34Å
411	E	97.5	Very high	92.7	Very high	19 Å²	19	31.1 Å²	31.1	9%	0.089	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	128.6	-177.5	-52.5	179.9	-160.1	0	0	110.8	R383 N384 H409 A413 A439 R468	R383-E411 CarbonylContact C-O 3.58Å; R383-E411 VanDerWaalsContact CA-O 3.32Å; R383-E411 WeakPolarHBondContact CA-O 3.33Å; R383-E411 HydrophobicContact CB-CB 4.15Å; R383-E411 VanDerWaalsContact CD-CD 3.47Å; R383-E411 WeakPolarHBondContact CD-OE2 3.42Å; R383-E411 HydrophobicContact CG-CB 3.86Å; R383-E411 HydrophobicContact CG-CG 3.91Å; N384-E411 PolarHBondContact N-O 3.15Å; H409-E411 HydrophobicContact CB-CG 4.46Å; H409-E411 IonicContact CE1-OE1 2.66Å; H409-E411 IonicContact CG-OE1 3.72Å; H409-E411 IonicContact ND1-OE1 2.67Å; H409-E411 PolarHBondContact ND1-OE1 3.11Å; E411-A413 PolarHBondContact O-N 3.41Å; E411-A439 CarbonylContact C-O 3.55Å; E411-A439 VanDerWaalsContact CA-O 3.27Å; E411-A439 WeakPolarHBondContact CA-O 3.42Å; E411-A439 HydrophobicContact CB-CB 3.93Å; E411-A439 HydrophobicContact CG-CB 3.73Å; E411-R468 IonicContact OE1-CZ 3.49Å; E411-R468 IonicContact OE1-NH2 3.62Å; E411-R468 PolarHBondContact OE1-NH2 3.02Å; E411-R468 VanDerWaalsContact OE1-NH2 3.09Å; E411-R468 IonicContact OE2-CZ 3.47Å; E411-R468 IonicContact OE2-NH2 3.7Å; E411-R468 PolarHBondContact OE2-NH2 2.74Å
412	N	96.4	Very high	93.4	Very high	69 Å²	69	27 Å²	27	37%	0.369	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	42.4	-173.1	-170.2	30.1	0	0	0	113.2	N384 L410 A439 D440	N384-N412 PolarHBondContact OD1-ND2 2.98Å; L410-N412 PolarHBondContact O-N 3.48Å; N412-A439 PolarHBondContact N-O 3.39Å; N412-D440 HydrophobicContact CB-CB 4Å
413	A	95.8	Very high	94.4	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.008	17%	0.173	C	C	.	.	S	Bend	trans	-89.2	-0.8	173.6	0	0	0	0	0	113	T385 P386 L387 L410 E411 L415 N441	T385-A413 WeakPolarHBondContact O-CB 3.23Å; P386-A413 CarbonylContact C-O 3.4Å; P386-A413 WeakPolarHBondContact CA-O 3.25Å; L387-A413 HydrophobicContact CB-CB 4.49Å; L387-A413 PolarHBondContact N-O 3.32Å; L410-A413 HydrophobicContact CB-CB 4Å; L410-A413 HydrophobicContact CD2-CB 4.19Å; L410-A413 VanDerWaalsContact O-CB 3.27Å; L410-A413 WeakPolarHBondContact O-CB 3.28Å; L410-A413 PolarHBondContact O-N 3.13Å; E411-A413 PolarHBondContact O-N 3.41Å; A413-L415 HydrophobicContact CB-CD2 4.29Å; A413-L415 HydrophobicContact CB-CG 4.16Å; A413-N441 PolarHBondContact N-OD1 2.83Å
414	G	92.9	Very high	95.5	Very high	41 Å²	41	25 Å²	25	42%	0.423	15%	0.15	S	C	.	.			trans	82.3	27.3	177	0	0	0	0	0	114.6	S416 N441	G414-S416 VanDerWaalsContact C-N 3.32Å; G414-S416 PolarHBondContact O-N 2.68Å; G414-N441 PolarHBondContact N-OD1 3.3Å
415	L	94.4	Very high	95.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.158	C	C	.	.			trans	-70.9	-11.1	-163.7	-63.9	177.7	0	0	0	117.2	L387 L410 A413 G417 P419 L420 L423 L438 N441 L443	L387-L415 HydrophobicContact CB-CD2 4.07Å; L387-L415 HydrophobicContact CD2-CD2 3.65Å; L387-L415 HydrophobicContact CG-CD2 4.39Å; L410-L415 HydrophobicContact CB-CD1 3.81Å; L410-L415 HydrophobicContact CD1-CD1 4.16Å; A413-L415 HydrophobicContact CB-CD2 4.29Å; A413-L415 HydrophobicContact CB-CG 4.16Å; L415-G417 PolarHBondContact O-N 3.15Å; L415-P419 HydrophobicContact CD2-CB 4.13Å; L415-L420 HydrophobicContact CB-CB 4.35Å; L415-L420 WeakPolarHBondContact O-CB 3.39Å; L415-L420 PolarHBondContact O-N 3.19Å; L415-L423 HydrophobicContact CD1-CD2 4.08Å; L415-L438 HydrophobicContact CD1-CD2 3.65Å; L415-N441 HydrophobicContact CB-CB 4.27Å; L415-N441 WeakPolarHBondContact CG-OD1 3.3Å; L415-N441 PolarHBondContact N-OD1 2.97Å; L415-L443 HydrophobicContact CB-CD2 4.27Å
416	S	94.4	Very high	96	Very high	53 Å²	53	26.8 Å²	26.8	37%	0.371	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	132.3	-173.7	57	0	0	0	0	113.3	G414 D448	G414-S416 VanDerWaalsContact C-N 3.32Å; G414-S416 PolarHBondContact O-N 2.68Å; S416-D448 WeakPolarHBondContact CA-OD2 3.34Å
417	G	94.1	Very high	96	Very high	24 Å²	24	25.4 Å²	25.4	25%	0.247	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	-127.4	178.2	0	0	0	0	0	113.9	L415 L420 M421 D448	L415-G417 PolarHBondContact O-N 3.15Å; G417-L420 PolarHBondContact O-N 2.69Å; G417-M421 WeakPolarHBondContact O-CB 3.36Å; G417-M421 PolarHBondContact O-N 3.1Å; G417-D448 PolarHBondContact N-OD1 2.81Å
418	R	94.6	Very high	95.8	Very high	119 Å²	119	26.3 Å²	26.3	45%	0.449	15%	0.149	S	C	.	.	H	α-helix	trans	-58.8	-41.5	-173.2	-173.9	172.4	174.3	102.5	-3.4	113.2	M421 L422	R418-M421 PolarHBondContact O-N 2.82Å; R418-L422 HydrophobicContact CG-CD1 3.99Å; R418-L422 HydrophobicContact CG-CG 4.37Å; R418-L422 WeakPolarHBondContact O-CG 3.49Å; R418-L422 PolarHBondContact O-N 2.99Å; R418-L422 VanDerWaalsContact O-N 3.08Å
419	P	95.4	Very high	95.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.7	-49.4	178.5	-24.1	34.1	0	0	0	113.1	A392 L415 L422 L423	A392-P419 HydrophobicContact CB-CB 3.79Å; A392-P419 HydrophobicContact CB-CG 4.33Å; L415-P419 HydrophobicContact CD2-CB 4.13Å; P419-L422 PolarHBondContact O-N 3.38Å; P419-L423 WeakPolarHBondContact O-CB 3.14Å; P419-L423 PolarHBondContact O-N 2.81Å
420	L	96.6	Very high	95.2	Very high	1 Å²	1	32 Å²	32	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-66.3	-38.3	177.4	179.2	62.4	0	0	0	112.2	L415 G417 L422 L423 A424 L438 L443 D448 L452	L415-L420 HydrophobicContact CB-CB 4.35Å; L415-L420 WeakPolarHBondContact O-CB 3.39Å; L415-L420 PolarHBondContact O-N 3.19Å; G417-L420 PolarHBondContact O-N 2.69Å; L420-L422 VanDerWaalsContact C-N 3.3Å; L420-L422 PolarHBondContact O-N 2.77Å; L420-L423 HydrophobicContact CD1-CD2 4.35Å; L420-L423 PolarHBondContact O-N 3.19Å; L420-A424 HydrophobicContact CD1-CB 4.42Å; L420-A424 WeakPolarHBondContact O-CB 3.35Å; L420-A424 PolarHBondContact O-N 2.67Å; L420-L438 HydrophobicContact CD1-CD1 4.08Å; L420-L443 HydrophobicContact CD2-CD1 3.83Å; L420-L443 HydrophobicContact CD2-CD2 3.65Å; L420-L443 HydrophobicContact CD2-CG 4.25Å; L420-D448 HydrophobicContact CD2-CB 3.62Å; L420-L452 HydrophobicContact CD1-CD2 4.17Å; L420-L452 HydrophobicContact CD2-CD1 4.33Å; L420-L452 HydrophobicContact CD2-CG 4.17Å
421	M	96.2	Very high	95	Very high	75 Å²	75	37.2 Å²	37.2	37%	0.369	20%	0.203	S	C	.	.	H	α-helix	trans	-58.9	-42.5	177	-176.8	-176.4	72.6	0	0	112	G417 R418 T425 Q451	G417-M421 WeakPolarHBondContact O-CB 3.36Å; G417-M421 PolarHBondContact O-N 3.1Å; R418-M421 PolarHBondContact O-N 2.82Å; M421-T425 WeakPolarHBondContact O-CB 3.27Å; M421-T425 PolarHBondContact O-N 3Å; M421-T425 VanDerWaalsContact O-N 3.12Å; M421-T425 PolarHBondContact O-OG1 2.6Å; M421-Q451 HydrophobicContact CB-CG 4.28Å; M421-Q451 HydrophobicContact CG-CG 4.15Å
422	L	96.6	Very high	94.8	Very high	42 Å²	42	39.4 Å²	39.4	22%	0.22	22%	0.216	C	C	.	.	H	α-helix	trans	-67.5	-48.7	175.6	-68	170.7	0	0	0	111.3	A392 P393 A396 R418 P419 L420 T425 A426	A392-L422 HydrophobicContact CB-CD1 4.27Å; P393-L422 HydrophobicContact CG-CD1 3.9Å; A396-L422 HydrophobicContact CB-CB 3.95Å; R418-L422 HydrophobicContact CG-CD1 3.99Å; R418-L422 HydrophobicContact CG-CG 4.37Å; R418-L422 WeakPolarHBondContact O-CG 3.49Å; R418-L422 PolarHBondContact O-N 2.99Å; R418-L422 VanDerWaalsContact O-N 3.08Å; P419-L422 PolarHBondContact O-N 3.38Å; L420-L422 VanDerWaalsContact C-N 3.3Å; L420-L422 PolarHBondContact O-N 2.77Å; L422-T425 PolarHBondContact O-N 3.31Å; L422-A426 PolarHBondContact O-N 3.49Å
423	L	96	Very high	94.7	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-58.2	-54.1	178.6	178.4	63.4	0	0	0	111.9	L399 L410 L415 P419 L420 T425 A426 L427 L438	L399-L423 HydrophobicContact CD1-CD1 3.37Å; L410-L423 HydrophobicContact CD1-CD2 3.92Å; L415-L423 HydrophobicContact CD1-CD2 4.08Å; P419-L423 WeakPolarHBondContact O-CB 3.14Å; P419-L423 PolarHBondContact O-N 2.81Å; L420-L423 HydrophobicContact CD1-CD2 4.35Å; L420-L423 PolarHBondContact O-N 3.19Å; L423-T425 PolarHBondContact O-N 3.29Å; L423-A426 PolarHBondContact O-N 2.93Å; L423-L427 HydrophobicContact CD1-CD1 3.84Å; L423-L427 HydrophobicContact CD1-CG 4.13Å; L423-L427 HydrophobicContact CG-CD1 3.94Å; L423-L427 WeakPolarHBondContact O-CB 3.48Å; L423-L427 VanDerWaalsContact O-CG 3.32Å; L423-L427 WeakPolarHBondContact O-CG 3.1Å; L423-L427 PolarHBondContact O-N 2.9Å; L423-L438 HydrophobicContact CD2-CD2 4.25Å
424	A	96.5	Very high	94.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.2	-32.9	178.2	0	0	0	0	0	112	L420 K428 Q451 L455	L420-A424 HydrophobicContact CD1-CB 4.42Å; L420-A424 WeakPolarHBondContact O-CB 3.35Å; L420-A424 PolarHBondContact O-N 2.67Å; A424-K428 WeakPolarHBondContact O-CE 3.27Å; A424-K428 WeakPolarHBondContact O-CG 3.28Å; A424-K428 PolarHBondContact O-N 2.96Å; A424-Q451 HydrophobicContact CB-CB 4.06Å; A424-L455 HydrophobicContact CB-CB 4.34Å; A424-L455 HydrophobicContact CB-CD2 4.48Å
425	T	95.7	Very high	95	Very high	59 Å²	59	40.1 Å²	40.1	36%	0.362	20%	0.202	S	C	.	.	H	α-helix	trans	-75.4	-34	177.2	-63.2	0	0	0	0	113	M421 L422 L423 K428	M421-T425 WeakPolarHBondContact O-CB 3.27Å; M421-T425 PolarHBondContact O-N 3Å; M421-T425 VanDerWaalsContact O-N 3.12Å; M421-T425 PolarHBondContact O-OG1 2.6Å; L422-T425 PolarHBondContact O-N 3.31Å; L423-T425 PolarHBondContact O-N 3.29Å; T425-K428 PolarHBondContact OG1-NZ 3.43Å
426	A	95.7	Very high	95.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.2	-46.5	169.2	0	0	0	0	0	112.2	A396 R400 L422 L423 K428 M429	A396-A426 HydrophobicContact CB-CB 4.05Å; A396-A426 WeakPolarHBondContact O-CB 3.42Å; R400-A426 HydrophobicContact CB-CB 4.1Å; L422-A426 PolarHBondContact O-N 3.49Å; L423-A426 PolarHBondContact O-N 2.93Å; A426-K428 PolarHBondContact O-N 3.2Å; A426-M429 PolarHBondContact O-N 3.03Å; A426-M429 VanDerWaalsContact O-N 3.1Å
427	L	96	Very high	95.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-67	-19.1	-175.9	-68.7	178.7	0	0	0	113.8	L399 L423 M429 N430 L433 L436 L455 N459	L399-L427 HydrophobicContact CB-CD2 4.12Å; L423-L427 HydrophobicContact CD1-CD1 3.84Å; L423-L427 HydrophobicContact CD1-CG 4.13Å; L423-L427 HydrophobicContact CG-CD1 3.94Å; L423-L427 WeakPolarHBondContact O-CB 3.48Å; L423-L427 VanDerWaalsContact O-CG 3.32Å; L423-L427 WeakPolarHBondContact O-CG 3.1Å; L423-L427 PolarHBondContact O-N 2.9Å; L427-M429 PolarHBondContact O-N 2.82Å; L427-M429 VanDerWaalsContact O-N 3.09Å; L427-N430 HydrophobicContact CD2-CB 3.83Å; L427-N430 PolarHBondContact O-N 3.14Å; L427-N430 VanDerWaalsContact O-N 3.11Å; L427-L433 HydrophobicContact CD1-CD2 4.15Å; L427-L433 HydrophobicContact CD2-CD2 3.77Å; L427-L436 HydrophobicContact CD1-CD1 4.12Å; L427-L436 HydrophobicContact CD1-CD2 3.64Å; L427-L455 VanDerWaalsContact C-CD1 3.48Å; L427-L455 HydrophobicContact CB-CD1 3.59Å; L427-L455 HydrophobicContact CB-CD2 4.29Å; L427-L455 HydrophobicContact CD1-CD2 4.41Å; L427-N459 PolarHBondContact O-ND2 2.87Å
428	K	93.9	Very high	95.5	Very high	33 Å²	33	37.5 Å²	37.5	14%	0.143	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-28.8	168.8	-74.2	160.2	-159.8	163.7	0	112.8	A424 T425 A426 L455 F458	A424-K428 WeakPolarHBondContact O-CE 3.27Å; A424-K428 WeakPolarHBondContact O-CG 3.28Å; A424-K428 PolarHBondContact O-N 2.96Å; T425-K428 PolarHBondContact OG1-NZ 3.43Å; A426-K428 PolarHBondContact O-N 3.2Å; K428-L455 HydrophobicContact CG-CD1 4.32Å; K428-F458 HydrophobicContact CB-CB 4.42Å; K428-F458 HydrophobicContact CD-CD2 4.36Å; K428-F458 HydrophobicContact CG-CB 4.33Å; K428-F458 HydrophobicContact CG-CD2 4.34Å
429	M	90.6	Very high	95.7	Very high	129 Å²	129	31.9 Å²	31.9	64%	0.635	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107	-1.6	-179.7	-58.1	-59.8	172.9	0	0	114	R400 A426 L427 M431	R400-M429 HydrophobicContact CG-CB 4.49Å; A426-M429 PolarHBondContact O-N 3.03Å; A426-M429 VanDerWaalsContact O-N 3.1Å; L427-M429 PolarHBondContact O-N 2.82Å; L427-M429 VanDerWaalsContact O-N 3.09Å; M429-M431 WeakPolarHBondContact O-CE 3.49Å
430	N	93.1	Very high	95.7	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.021	17%	0.172	C	C	.	.			trans	-76.3	129.2	-179.5	-170.7	-49.2	0	0	0	111.1	L399 S402 L427 N432 L433 N459	L399-N430 WeakPolarHBondContact O-CB 3.47Å; L399-N430 PolarHBondContact O-ND2 2.99Å; S402-N430 PolarHBondContact OG-ND2 3.03Å; L427-N430 HydrophobicContact CD2-CB 3.83Å; L427-N430 PolarHBondContact O-N 3.14Å; L427-N430 VanDerWaalsContact O-N 3.11Å; N430-N432 PolarHBondContact OD1-N 2.93Å; N430-L433 PolarHBondContact OD1-N 2.92Å; N430-N459 PolarHBondContact O-ND2 2.98Å
431	M	91.6	Very high	95.7	Very high	108 Å²	108	34.9 Å²	34.9	53%	0.532	17%	0.172	S	C	.	.	S	Bend	trans	-106	-8.6	-177	-59	-66.2	147	0	0	114.2	M429 R434 N461	M429-M431 WeakPolarHBondContact O-CE 3.49Å; M431-R434 PolarHBondContact O-NH2 3.15Å; M431-N461 PolarHBondContact O-OD1 3.43Å; M431-N461 PolarHBondContact SD-ND2 2.8Å
432	N	93.3	Very high	95.7	Very high	66 Å²	66	38.1 Å²	38.1	35%	0.353	18%	0.184	S	C	.	.	S	Bend	trans	-106.4	-39.2	-170.6	-68.9	-21.5	0	0	0	112.7	S402 G403 L405 N430 R434	S402-N432 PolarHBondContact O-ND2 2.78Å; G403-N432 PolarHBondContact O-ND2 3.32Å; G403-N432 VanDerWaalsContact O-ND2 3.11Å; L405-N432 CarbonylContact O-C 3.58Å; N430-N432 PolarHBondContact OD1-N 2.93Å; N432-R434 PolarHBondContact O-N 3.05Å; N432-R434 PolarHBondContact O-NE 3.42Å
433	L	95.6	Very high	95.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.173	C	C	.	.			trans	-65.5	123.8	-176.9	-163.8	79.6	0	0	0	111.2	L405 L408 L427 N430 L436 N461 I462	L405-L433 HydrophobicContact CD2-CD1 4.2Å; L405-L433 HydrophobicContact CG-CD1 4.33Å; L405-L433 PolarHBondContact O-N 3.33Å; L408-L433 HydrophobicContact CB-CD1 3.84Å; L427-L433 HydrophobicContact CD1-CD2 4.15Å; L427-L433 HydrophobicContact CD2-CD2 3.77Å; N430-L433 PolarHBondContact OD1-N 2.92Å; L433-L436 HydrophobicContact CD2-CB 4.18Å; L433-L436 HydrophobicContact CD2-CD1 3.99Å; L433-N461 CarbonylContact O-C 3.51Å; L433-I462 PolarHBondContact O-N 3.3Å
434	R	96.4	Very high	95.5	Very high	75 Å²	75	38.2 Å²	38.2	28%	0.283	19%	0.185	S	C	.	.			trans	-104.8	-34.3	178.8	-54.4	-55.8	168.9	-163.7	-12.6	112.3	A406 M431 N432 N461 I462 Q463 I464	A406-R434 HydrophobicContact CB-CG 4.48Å; A406-R434 PolarHBondContact O-N 3.04Å; M431-R434 PolarHBondContact O-NH2 3.15Å; N432-R434 PolarHBondContact O-N 3.05Å; N432-R434 PolarHBondContact O-NE 3.42Å; R434-N461 VanDerWaalsContact CD-O 3.23Å; R434-N461 WeakPolarHBondContact CD-O 3.28Å; R434-N461 VanDerWaalsContact NH1-CA 3.32Å; R434-N461 VanDerWaalsContact NH1-CB 3.28Å; R434-N461 PolarHBondContact NH1-O 3.14Å; R434-N461 VanDerWaalsContact NH1-O 3.08Å; R434-N461 PolarHBondContact NH1-OD1 3.37Å; R434-I462 CarbonylContact O-C 3.57Å; R434-Q463 PolarHBondContact O-N 2.94Å; R434-I464 PolarHBondContact O-N 3.25Å
435	E	98.1	Very high	95.2	Very high	51 Å²	51	38.5 Å²	38.5	24%	0.238	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	130.4	-174.6	-49.8	-174.3	-162.8	0	0	111.7	A406 V407 L408 Y437 I464	A406-E435 PolarHBondContact O-N 3.39Å; V407-E435 HydrophobicContact CB-CB 4.3Å; V407-E435 HydrophobicContact CG1-CB 3.98Å; V407-E435 HydrophobicContact CG2-CB 3.99Å; V407-E435 HydrophobicContact CG2-CG 3.97Å; L408-E435 PolarHBondContact N-O 3.19Å; E435-Y437 HydrophobicContact CB-CD2 4.43Å; E435-Y437 HydrophobicContact CB-CE2 3.66Å; E435-Y437 WeakPolarHBondContact OE2-CE2 3.49Å; E435-Y437 PolarHBondContact OE2-OH 2.81Å; E435-I464 HydrophobicContact CB-CB 4.12Å; E435-I464 HydrophobicContact CG-CB 3.96Å; E435-I464 HydrophobicContact CG-CD1 3.99Å; E435-I464 HydrophobicContact CG-CG1 3.98Å
436	L	98	Very high	95	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	113.6	-179	-175.3	68.7	0	0	0	110.1	L408 L427 L433 L438 L455 I462 I464 L465 D466	L408-L436 HydrophobicContact CB-CD1 4.28Å; L408-L436 HydrophobicContact CD2-CD1 3.97Å; L408-L436 HydrophobicContact CG-CD1 4.26Å; L427-L436 HydrophobicContact CD1-CD1 4.12Å; L427-L436 HydrophobicContact CD1-CD2 3.64Å; L433-L436 HydrophobicContact CD2-CB 4.18Å; L433-L436 HydrophobicContact CD2-CD1 3.99Å; L436-L438 HydrophobicContact CD1-CD2 3.88Å; L436-L438 HydrophobicContact CD2-CD1 3.95Å; L436-L438 HydrophobicContact CD2-CD2 4.17Å; L436-L438 HydrophobicContact CD2-CG 4.16Å; L436-L438 HydrophobicContact CG-CD1 4.28Å; L436-L438 HydrophobicContact CG-CD2 3.8Å; L436-L438 HydrophobicContact CG-CG 3.92Å; L436-L455 HydrophobicContact CD2-CD2 4.35Å; L436-I462 HydrophobicContact CD2-CD1 4.42Å; L436-I464 PolarHBondContact N-O 3.11Å; L436-L465 HydrophobicContact CB-CD1 4.23Å; L436-L465 HydrophobicContact CD2-CD1 3.95Å; L436-L465 HydrophobicContact CG-CD1 4.29Å; L436-D466 PolarHBondContact O-N 3.28Å
437	Y	98.4	Very high	94.9	Very high	21 Å²	21	46.6 Å²	46.6	8%	0.082	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	110.4	-179.4	-58.1	-98.8	0	0	0	110.4	V407 L408 H409 L410 E435 I464 D466	V407-Y437 HydrophobicContact CG1-CD2 4.49Å; V407-Y437 HydrophobicContact CG1-CE2 4.06Å; L408-Y437 PolarHBondContact O-N 2.91Å; H409-Y437 AromaticContact CD2-CD2 3.77Å; H409-Y437 AromaticContact CE1-CD1 3.79Å; H409-Y437 AromaticContact CE1-CD2 3.21Å; H409-Y437 WeakPolarHBondContact CE1-CD2 3.06Å; H409-Y437 AromaticContact CE1-CE1 3.97Å; H409-Y437 AromaticContact CE1-CE2 3.41Å; H409-Y437 VanDerWaalsContact CE1-CE2 3.41Å; H409-Y437 WeakPolarHBondContact CE1-CE2 2.95Å; H409-Y437 AromaticContact CE1-CG 3.42Å; H409-Y437 VanDerWaalsContact CE1-CG 3.42Å; H409-Y437 AromaticContact CE1-CZ 3.8Å; H409-Y437 AromaticContact CG-CD2 3.75Å; H409-Y437 WeakPolarHBondContact ND1-CB 3.3Å; H409-Y437 AromaticContact ND1-CD1 3.98Å; H409-Y437 AromaticContact ND1-CD2 3.44Å; H409-Y437 WeakPolarHBondContact ND1-CD2 3.32Å; H409-Y437 AromaticContact ND1-CG 3.36Å; H409-Y437 AromaticContact NE2-CD2 3.43Å; H409-Y437 WeakPolarHBondContact NE2-CD2 3.39Å; H409-Y437 AromaticContact NE2-CE2 3.43Å; H409-Y437 WeakPolarHBondContact NE2-CE2 3.39Å; L410-Y437 CarbonylContact C-O 3.54Å; L410-Y437 PolarHBondContact N-O 3.07Å; E435-Y437 HydrophobicContact CB-CD2 4.43Å; E435-Y437 HydrophobicContact CB-CE2 3.66Å; E435-Y437 WeakPolarHBondContact OE2-CE2 3.49Å; E435-Y437 PolarHBondContact OE2-OH 2.81Å; Y437-I464 HydrophobicContact CE1-CG2 4.28Å; Y437-D466 HydrophobicContact CD1-CB 3.54Å; Y437-D466 HydrophobicContact CE1-CB 4.22Å; Y437-D466 HydrophobicContact CG-CB 4.27Å
438	L	97.9	Very high	95	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.225	C	C	.	.			trans	-114.6	26	-176.2	-50.8	179.5	0	0	0	112	L415 L420 L423 L436 N441 L443 L452 L465 D466 L467 N470	L415-L438 HydrophobicContact CD1-CD2 3.65Å; L420-L438 HydrophobicContact CD1-CD1 4.08Å; L423-L438 HydrophobicContact CD2-CD2 4.25Å; L436-L438 HydrophobicContact CD1-CD2 3.88Å; L436-L438 HydrophobicContact CD2-CD1 3.95Å; L436-L438 HydrophobicContact CD2-CD2 4.17Å; L436-L438 HydrophobicContact CD2-CG 4.16Å; L436-L438 HydrophobicContact CG-CD1 4.28Å; L436-L438 HydrophobicContact CG-CD2 3.8Å; L436-L438 HydrophobicContact CG-CG 3.92Å; L438-N441 PolarHBondContact O-ND2 2.59Å; L438-L443 HydrophobicContact CB-CD1 4.21Å; L438-L443 HydrophobicContact CD1-CD1 4.4Å; L438-L452 HydrophobicContact CD1-CD2 3.78Å; L438-L465 HydrophobicContact CD1-CD1 4.21Å; L438-D466 WeakPolarHBondContact CA-O 3.35Å; L438-D466 PolarHBondContact N-O 2.87Å; L438-L467 HydrophobicContact CB-CD2 4.14Å; L438-L467 HydrophobicContact CD1-CD2 3.95Å; L438-L467 HydrophobicContact CG-CD2 4.45Å; L438-N470 PolarHBondContact O-ND2 3.31Å
439	A	97.4	Very high	95.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	149.1	179.9	0	0	0	0	0	113	E411 N412 N441 R468	E411-A439 CarbonylContact C-O 3.55Å; E411-A439 VanDerWaalsContact CA-O 3.27Å; E411-A439 WeakPolarHBondContact CA-O 3.42Å; E411-A439 HydrophobicContact CB-CB 3.93Å; E411-A439 HydrophobicContact CG-CB 3.73Å; N412-A439 PolarHBondContact N-O 3.39Å; A439-N441 PolarHBondContact O-N 2.9Å; A439-N441 PolarHBondContact O-ND2 3.44Å; A439-R468 CarbonylContact C-O 3.6Å; A439-R468 VanDerWaalsContact CA-O 3.28Å; A439-R468 WeakPolarHBondContact CA-O 3.38Å; A439-R468 HydrophobicContact CB-CG 3.35Å
440	D	96.5	Very high	95.4	Very high	63 Å²	63	39.9 Å²	39.9	34%	0.337	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	22.5	166.1	-65.5	-91.9	0	0	0	115.4	N412 R468 N469	N412-D440 HydrophobicContact CB-CB 4Å; D440-R468 PolarHBondContact N-O 3.06Å; D440-N469 WeakPolarHBondContact CA-O 3.31Å; D440-N469 HydrophobicContact CB-CB 4.39Å; D440-N469 VanDerWaalsContact CG-CB 3.42Å; D440-N469 VanDerWaalsContact CG-ND2 3.34Å; D440-N469 WeakPolarHBondContact OD1-CB 3.5Å; D440-N469 PolarHBondContact OD1-ND2 2.97Å; D440-N469 VanDerWaalsContact OD1-ND2 3.14Å; D440-N469 WeakPolarHBondContact OD2-CB 3.42Å; D440-N469 PolarHBondContact OD2-ND2 3.33Å
441	N	96.7	Very high	95.6	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.011	20%	0.204	C	C	.	.	S	Bend	trans	-89.5	4.1	-177.7	-85	-69.4	0	0	0	114.8	L410 A413 G414 L415 L438 A439 L443 N470	L410-N441 PolarHBondContact O-ND2 3.34Å; A413-N441 PolarHBondContact N-OD1 2.83Å; G414-N441 PolarHBondContact N-OD1 3.3Å; L415-N441 HydrophobicContact CB-CB 4.27Å; L415-N441 WeakPolarHBondContact CG-OD1 3.3Å; L415-N441 PolarHBondContact N-OD1 2.97Å; L438-N441 PolarHBondContact O-ND2 2.59Å; A439-N441 PolarHBondContact O-N 2.9Å; A439-N441 PolarHBondContact O-ND2 3.44Å; N441-L443 HydrophobicContact CB-CD1 4.44Å; N441-L443 HydrophobicContact CB-CD2 3.73Å; N441-L443 HydrophobicContact CB-CG 3.77Å; N441-L443 PolarHBondContact O-N 3.31Å; N441-N470 WeakPolarHBondContact CA-OD1 3.47Å; N441-N470 PolarHBondContact N-OD1 3.49Å
442	K	95.2	Very high	95.9	Very high	142 Å²	142	36.8 Å²	36.8	62%	0.617	18%	0.179	S	C	*	.			trans	57.7	27.7	-176.6	-51.1	174	-173.4	171.4	0	113.8	N444 N470	K442-N444 PolarHBondContact O-N 3.27Å; K442-N470 PolarHBondContact N-OD1 2.99Å
443	L	96.1	Very high	96.1	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.			trans	-58.8	135.7	-175.1	-58	-177	0	0	0	111.8	L415 L420 L438 N441 D448 L452 N470 H471 I472	L415-L443 HydrophobicContact CB-CD2 4.27Å; L420-L443 HydrophobicContact CD2-CD1 3.83Å; L420-L443 HydrophobicContact CD2-CD2 3.65Å; L420-L443 HydrophobicContact CD2-CG 4.25Å; L438-L443 HydrophobicContact CB-CD1 4.21Å; L438-L443 HydrophobicContact CD1-CD1 4.4Å; N441-L443 HydrophobicContact CB-CD1 4.44Å; N441-L443 HydrophobicContact CB-CD2 3.73Å; N441-L443 HydrophobicContact CB-CG 3.77Å; N441-L443 PolarHBondContact O-N 3.31Å; L443-D448 WeakPolarHBondContact CA-OD2 3.41Å; L443-D448 HydrophobicContact CB-CB 4.07Å; L443-D448 HydrophobicContact CD2-CB 4.49Å; L443-L452 HydrophobicContact CD1-CD1 4.09Å; L443-N470 HydrophobicContact CB-CB 4.09Å; L443-N470 WeakPolarHBondContact CG-OD1 3.45Å; L443-N470 PolarHBondContact N-OD1 3.42Å; L443-H471 CarbonylContact O-C 3.51Å; L443-H471 VanDerWaalsContact O-CA 3.27Å; L443-H471 WeakPolarHBondContact O-CA 3.11Å; L443-H471 WeakPolarHBondContact O-CB 3.41Å; L443-H471 PolarHBondContact O-N 2.87Å; L443-I472 HydrophobicContact CB-CD1 4.28Å
444	N	92.7	Very high	96.1	Very high	48 Å²	48	36.9 Å²	36.9	26%	0.257	18%	0.181	S	C	.	.	B	Isolated β-bridge	trans	-90.5	148.3	-170.4	80.3	80.6	0	0	0	114.8	K442 L446 Q447 D448 S449 H471	K442-N444 PolarHBondContact O-N 3.27Å; N444-L446 PolarHBondContact O-N 3.35Å; N444-L446 PolarHBondContact OD1-N 3.17Å; N444-L446 VanDerWaalsContact OD1-N 3.16Å; N444-Q447 PolarHBondContact OD1-N 2.66Å; N444-D448 PolarHBondContact N-OD2 2.9Å; N444-D448 PolarHBondContact ND2-N 2.83Å; N444-D448 PolarHBondContact ND2-OD1 3.46Å; N444-D448 PolarHBondContact ND2-OD2 3.15Å; N444-S449 PolarHBondContact O-N 3.45Å; N444-S449 PolarHBondContact O-OG 3.33Å; N444-H471 CarbonylContact C-O 3.16Å
445	G	89.5	Confident	96.1	Very high	7 Å²	7	33.4 Å²	33.4	7%	0.072	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	15.9	-175.8	0	0	0	0	0	116.9	S449 H471 I472 S475 G476	G445-S449 WeakPolarHBondContact CA-OG 3.44Å; G445-H471 WeakPolarHBondContact CA-O 3.33Å; G445-H471 PolarHBondContact N-O 2.88Å; G445-I472 WeakPolarHBondContact CA-O 3.47Å; G445-S475 CarbonylContact O-C 3.59Å; G445-S475 WeakPolarHBondContact O-CB 3.48Å; G445-S475 PolarHBondContact O-OG 3.16Å; G445-G476 WeakPolarHBondContact O-CA 3.28Å; G445-G476 PolarHBondContact O-N 2.95Å
446	L	92.1	Very high	96	Very high	98 Å²	98	31.2 Å²	31.2	51%	0.513	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.8	-76	178.3	-169.9	74.3	0	0	0	111.1	N444 A450 Y479	N444-L446 PolarHBondContact O-N 3.35Å; N444-L446 PolarHBondContact OD1-N 3.17Å; N444-L446 VanDerWaalsContact OD1-N 3.16Å; L446-A450 WeakPolarHBondContact O-CB 3.32Å; L446-A450 PolarHBondContact O-N 3.16Å; L446-Y479 HydrophobicContact CD1-CE2 4.21Å
447	Q	94.3	Very high	95.9	Very high	131 Å²	131	34.1 Å²	34.1	61%	0.612	17%	0.171	S	C	*	.	H	α-helix	trans	-72.2	-52.1	-173.9	-65.8	-179.8	-15.7	0	0	112	N444 S449 A450 Q451	N444-Q447 PolarHBondContact OD1-N 2.66Å; Q447-S449 VanDerWaalsContact C-N 3.34Å; Q447-S449 PolarHBondContact O-N 2.83Å; Q447-A450 PolarHBondContact O-N 3.5Å; Q447-Q451 WeakPolarHBondContact O-CG 3.42Å; Q447-Q451 PolarHBondContact O-N 2.97Å
448	D	96.7	Very high	95.7	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.011	19%	0.191	C	C	.	.	H	α-helix	trans	-62.5	-44.6	-179.4	-70.5	-24	0	0	0	110.7	S416 G417 L420 L443 N444 A450 Q451 L452	S416-D448 WeakPolarHBondContact CA-OD2 3.34Å; G417-D448 PolarHBondContact N-OD1 2.81Å; L420-D448 HydrophobicContact CD2-CB 3.62Å; L443-D448 WeakPolarHBondContact CA-OD2 3.41Å; L443-D448 HydrophobicContact CB-CB 4.07Å; L443-D448 HydrophobicContact CD2-CB 4.49Å; N444-D448 PolarHBondContact N-OD2 2.9Å; N444-D448 PolarHBondContact ND2-N 2.83Å; N444-D448 PolarHBondContact ND2-OD1 3.46Å; N444-D448 PolarHBondContact ND2-OD2 3.15Å; D448-A450 PolarHBondContact O-N 2.87Å; D448-Q451 PolarHBondContact O-N 3.22Å; D448-Q451 VanDerWaalsContact O-N 3.15Å; D448-L452 WeakPolarHBondContact O-CG 3.44Å; D448-L452 PolarHBondContact O-N 2.98Å
449	S	96.9	Very high	95.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64	-37.3	177.3	-60.3	0	0	0	0	113.1	N444 G445 Q447 L452 G453 I472 G476	N444-S449 PolarHBondContact O-N 3.45Å; N444-S449 PolarHBondContact O-OG 3.33Å; G445-S449 WeakPolarHBondContact CA-OG 3.44Å; Q447-S449 VanDerWaalsContact C-N 3.34Å; Q447-S449 PolarHBondContact O-N 2.83Å; S449-L452 PolarHBondContact O-N 3.09Å; S449-G453 PolarHBondContact O-N 2.88Å; S449-I472 VanDerWaalsContact OG-CD1 3.23Å; S449-I472 WeakPolarHBondContact OG-CD1 3.08Å; S449-G476 WeakPolarHBondContact OG-CA 3.37Å
450	A	96.9	Very high	95.3	Very high	18 Å²	18	43.8 Å²	43.8	15%	0.149	21%	0.211	C	C	.	.	H	α-helix	trans	-66.7	-34.7	172.7	0	0	0	0	0	112.3	L446 Q447 D448 N454 Y479	L446-A450 WeakPolarHBondContact O-CB 3.32Å; L446-A450 PolarHBondContact O-N 3.16Å; Q447-A450 PolarHBondContact O-N 3.5Å; D448-A450 PolarHBondContact O-N 2.87Å; A450-N454 WeakPolarHBondContact O-CB 3.43Å; A450-N454 PolarHBondContact O-N 3.3Å; A450-N454 PolarHBondContact O-ND2 3.02Å; A450-Y479 HydrophobicContact CB-CD1 4Å; A450-Y479 HydrophobicContact CB-CD2 4.24Å; A450-Y479 HydrophobicContact CB-CE1 4.16Å; A450-Y479 HydrophobicContact CB-CE2 4.4Å; A450-Y479 HydrophobicContact CB-CG 4.04Å
451	Q	97.6	Very high	95.2	Very high	47 Å²	47	42.3 Å²	42.3	22%	0.22	20%	0.203	C	C	.	.	H	α-helix	trans	-70.4	-37.4	174.1	-64.8	-58.1	-22	0	0	112.3	M421 A424 Q447 D448 N454 L455	M421-Q451 HydrophobicContact CB-CG 4.28Å; M421-Q451 HydrophobicContact CG-CG 4.15Å; A424-Q451 HydrophobicContact CB-CB 4.06Å; Q447-Q451 WeakPolarHBondContact O-CG 3.42Å; Q447-Q451 PolarHBondContact O-N 2.97Å; D448-Q451 PolarHBondContact O-N 3.22Å; D448-Q451 VanDerWaalsContact O-N 3.15Å; Q451-N454 PolarHBondContact O-N 2.77Å; Q451-L455 WeakPolarHBondContact O-CB 3.3Å; Q451-L455 PolarHBondContact O-N 2.84Å
452	L	97.8	Very high	95.2	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-67.3	-41.3	172.6	-70.3	170.9	0	0	0	112.6	L420 L438 L443 D448 S449 N454 L455 L456 L467 I472 L480	L420-L452 HydrophobicContact CD1-CD2 4.17Å; L420-L452 HydrophobicContact CD2-CD1 4.33Å; L420-L452 HydrophobicContact CD2-CG 4.17Å; L438-L452 HydrophobicContact CD1-CD2 3.78Å; L443-L452 HydrophobicContact CD1-CD1 4.09Å; D448-L452 WeakPolarHBondContact O-CG 3.44Å; D448-L452 PolarHBondContact O-N 2.98Å; S449-L452 PolarHBondContact O-N 3.09Å; L452-N454 VanDerWaalsContact C-N 3.33Å; L452-N454 PolarHBondContact O-N 2.7Å; L452-L455 HydrophobicContact CD2-CD2 4.5Å; L452-L455 WeakPolarHBondContact O-CB 3.25Å; L452-L455 PolarHBondContact O-N 3.45Å; L452-L456 WeakPolarHBondContact O-CG 3.27Å; L452-L456 PolarHBondContact O-N 2.91Å; L452-L467 HydrophobicContact CD1-CD1 4.02Å; L452-L467 HydrophobicContact CD1-CD2 3.71Å; L452-L467 HydrophobicContact CD2-CD2 4.37Å; L452-I472 HydrophobicContact CD1-CD1 4.19Å; L452-L480 HydrophobicContact CB-CD2 3.54Å
453	G	96.7	Very high	95.3	Very high	6 Å²	6	39.7 Å²	39.7	6%	0.062	19%	0.194	C	C	.	.	H	α-helix	trans	-59.2	-44	172.5	0	0	0	0	0	111.9	S449 L456 K457 Y479 G483	S449-G453 PolarHBondContact O-N 2.88Å; G453-L456 PolarHBondContact O-N 2.62Å; G453-K457 WeakPolarHBondContact O-CB 3.36Å; G453-K457 PolarHBondContact O-N 2.98Å; G453-Y479 WeakPolarHBondContact CA-O 3.38Å; G453-G483 WeakPolarHBondContact O-CA 3.48Å
454	N	96.4	Very high	95.4	Very high	62 Å²	62	40.9 Å²	40.9	33%	0.332	20%	0.2	S	C	.	.	H	α-helix	trans	-66.6	-34.3	173.4	-81.7	-70.8	0	0	0	113.3	A450 Q451 L452 K457 F458	A450-N454 WeakPolarHBondContact O-CB 3.43Å; A450-N454 PolarHBondContact O-N 3.3Å; A450-N454 PolarHBondContact O-ND2 3.02Å; Q451-N454 PolarHBondContact O-N 2.77Å; L452-N454 VanDerWaalsContact C-N 3.33Å; L452-N454 PolarHBondContact O-N 2.7Å; N454-K457 PolarHBondContact O-N 2.88Å; N454-F458 WeakPolarHBondContact O-CD2 3.48Å
455	L	96.8	Very high	95.6	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-62.2	-48.9	172.1	173.8	59.9	0	0	0	110.6	A424 L427 K428 L436 Q451 L452 K457 F458 N459 I462	A424-L455 HydrophobicContact CB-CB 4.34Å; A424-L455 HydrophobicContact CB-CD2 4.48Å; L427-L455 VanDerWaalsContact C-CD1 3.48Å; L427-L455 HydrophobicContact CB-CD1 3.59Å; L427-L455 HydrophobicContact CB-CD2 4.29Å; L427-L455 HydrophobicContact CD1-CD2 4.41Å; K428-L455 HydrophobicContact CG-CD1 4.32Å; L436-L455 HydrophobicContact CD2-CD2 4.35Å; Q451-L455 WeakPolarHBondContact O-CB 3.3Å; Q451-L455 PolarHBondContact O-N 2.84Å; L452-L455 HydrophobicContact CD2-CD2 4.5Å; L452-L455 WeakPolarHBondContact O-CB 3.25Å; L452-L455 PolarHBondContact O-N 3.45Å; L455-K457 PolarHBondContact O-N 3.04Å; L455-F458 PolarHBondContact O-N 3.48Å; L455-N459 HydrophobicContact CD1-CB 3.76Å; L455-N459 WeakPolarHBondContact O-CB 3.47Å; L455-N459 PolarHBondContact O-N 2.73Å; L455-I462 HydrophobicContact CD1-CD1 4.31Å; L455-I462 HydrophobicContact CD2-CD1 4.1Å; L455-I462 HydrophobicContact CG-CD1 4.4Å
456	L	96.1	Very high	96.1	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.026	18%	0.184	C	C	.	.	H	α-helix	trans	-64.8	-20.4	176.9	-68.9	176.7	0	0	0	113.6	L452 G453 L465 L480 L484 Q487 L491	L452-L456 WeakPolarHBondContact O-CG 3.27Å; L452-L456 PolarHBondContact O-N 2.91Å; G453-L456 PolarHBondContact O-N 2.62Å; L456-L465 HydrophobicContact CD1-CD2 4.2Å; L456-L465 HydrophobicContact CD2-CD2 4.08Å; L456-L465 HydrophobicContact CG-CD2 4.34Å; L456-L480 HydrophobicContact CD1-CD2 4.09Å; L456-L484 HydrophobicContact CD1-CD2 4.27Å; L456-L484 HydrophobicContact CD1-CG 4.28Å; L456-Q487 PolarHBondContact O-NE2 2.95Å; L456-L491 HydrophobicContact CD2-CB 4.45Å; L456-L491 HydrophobicContact CD2-CD1 4.39Å; L456-L491 HydrophobicContact CD2-CD2 3.97Å
457	K	94.9	Very high	96.4	Very high	61 Å²	61	33.7 Å²	33.7	27%	0.265	16%	0.16	S	C	.	.	H	α-helix	trans	-77.2	-21	176.5	-161.3	167.7	-170.3	170.9	0	113.9	G453 N454 L455 Y460 E482 E486	G453-K457 WeakPolarHBondContact O-CB 3.36Å; G453-K457 PolarHBondContact O-N 2.98Å; N454-K457 PolarHBondContact O-N 2.88Å; L455-K457 PolarHBondContact O-N 3.04Å; K457-Y460 PolarHBondContact O-OH 3.03Å; K457-E482 IonicContact NZ-OE1 3.99Å; K457-E482 PolarHBondContact NZ-OE1 3.39Å; K457-E486 HydrophobicContact CG-CG 4.17Å
458	F	94.2	Very high	96.5	Very high	117 Å²	117	30.2 Å²	30.2	51%	0.513	14%	0.141	S	C	.	.	H	α-helix	trans	-124.6	-28.4	-174.4	-61.1	-63.3	0	0	0	114.7	K428 N454 L455 Y460	K428-F458 HydrophobicContact CB-CB 4.42Å; K428-F458 HydrophobicContact CD-CD2 4.36Å; K428-F458 HydrophobicContact CG-CB 4.33Å; K428-F458 HydrophobicContact CG-CD2 4.34Å; N454-F458 WeakPolarHBondContact O-CD2 3.48Å; L455-F458 PolarHBondContact O-N 3.48Å; F458-Y460 VanDerWaalsContact O-CD2 3.31Å; F458-Y460 WeakPolarHBondContact O-CD2 3.39Å; F458-Y460 VanDerWaalsContact O-CE2 3.31Å; F458-Y460 WeakPolarHBondContact O-CE2 3.5Å
459	N	94	Very high	96.6	Very high	5 Å²	5	32.3 Å²	32.3	3%	0.027	15%	0.153	C	C	.	.			trans	-89.1	124	178.1	-172.7	-64.3	0	0	0	111.3	L427 N430 L455 N461 I462 Q487	L427-N459 PolarHBondContact O-ND2 2.87Å; N430-N459 PolarHBondContact O-ND2 2.98Å; L455-N459 HydrophobicContact CD1-CB 3.76Å; L455-N459 WeakPolarHBondContact O-CB 3.47Å; L455-N459 PolarHBondContact O-N 2.73Å; N459-N461 WeakPolarHBondContact OD1-CA 3.48Å; N459-N461 PolarHBondContact OD1-N 3.14Å; N459-I462 PolarHBondContact OD1-N 3.11Å; N459-Q487 PolarHBondContact O-NE2 2.83Å
460	Y	93.5	Very high	96.6	Very high	102 Å²	102	32.3 Å²	32.3	40%	0.4	15%	0.153	S	C	.	.			trans	-115.2	19.6	177	-56.2	-79.3	0	0	0	112.9	K457 F458 E486 G490	K457-Y460 PolarHBondContact O-OH 3.03Å; F458-Y460 VanDerWaalsContact O-CD2 3.31Å; F458-Y460 WeakPolarHBondContact O-CD2 3.39Å; F458-Y460 VanDerWaalsContact O-CE2 3.31Å; F458-Y460 WeakPolarHBondContact O-CE2 3.5Å; Y460-E486 WeakPolarHBondContact CE1-O 3.37Å; Y460-G490 WeakPolarHBondContact O-CA 3.37Å
461	N	94.3	Very high	96.6	Very high	32 Å²	32	35.5 Å²	35.5	17%	0.171	16%	0.164	C	C	.	.	S	Bend	trans	-112.2	-32.9	-175.5	-73.9	-67.3	0	0	0	113.3	M431 L433 R434 N459 Q463	M431-N461 PolarHBondContact O-OD1 3.43Å; M431-N461 PolarHBondContact SD-ND2 2.8Å; L433-N461 CarbonylContact O-C 3.51Å; R434-N461 VanDerWaalsContact CD-O 3.23Å; R434-N461 WeakPolarHBondContact CD-O 3.28Å; R434-N461 VanDerWaalsContact NH1-CA 3.32Å; R434-N461 VanDerWaalsContact NH1-CB 3.28Å; R434-N461 PolarHBondContact NH1-O 3.14Å; R434-N461 VanDerWaalsContact NH1-O 3.08Å; R434-N461 PolarHBondContact NH1-OD1 3.37Å; N459-N461 WeakPolarHBondContact OD1-CA 3.48Å; N459-N461 PolarHBondContact OD1-N 3.14Å; N461-Q463 PolarHBondContact O-N 2.91Å
462	I	95.9	Very high	96.6	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.026	15%	0.154	C	C	.	.			trans	-67.9	117.3	172.3	-63.4	168.8	0	0	0	108.3	L433 R434 L436 L455 N459 I464 L465 G490 L491	L433-I462 PolarHBondContact O-N 3.3Å; R434-I462 CarbonylContact O-C 3.57Å; L436-I462 HydrophobicContact CD2-CD1 4.42Å; L455-I462 HydrophobicContact CD1-CD1 4.31Å; L455-I462 HydrophobicContact CD2-CD1 4.1Å; L455-I462 HydrophobicContact CG-CD1 4.4Å; N459-I462 PolarHBondContact OD1-N 3.11Å; I462-I464 WeakPolarHBondContact CG2-O 3.3Å; I462-L465 HydrophobicContact CG2-CB 4.5Å; I462-G490 CarbonylContact O-C 3.6Å; I462-G490 VanDerWaalsContact O-C 3.3Å; I462-L491 HydrophobicContact CG2-CD1 4.16Å; I462-L491 WeakPolarHBondContact O-CA 3.36Å; I462-L491 PolarHBondContact O-N 3.06Å
463	Q	97.1	Very high	96.5	Very high	85 Å²	85	36.5 Å²	36.5	40%	0.397	17%	0.171	S	C	.	.			trans	-98.9	-33	179.3	-68.8	169.8	-7.8	0	0	111.5	R434 N461 V492 T493	R434-Q463 PolarHBondContact O-N 2.94Å; N461-Q463 PolarHBondContact O-N 2.91Å; Q463-V492 HydrophobicContact CB-CB 4.4Å; Q463-V492 HydrophobicContact CB-CG2 4.12Å; Q463-V492 HydrophobicContact CG-CG2 4.19Å; Q463-V492 CarbonylContact O-C 3.5Å; Q463-V492 WeakPolarHBondContact O-CA 3.4Å; Q463-V492 PolarHBondContact O-N 3.1Å; Q463-T493 PolarHBondContact O-N 2.89Å
464	I	98.5	Very high	96.5	Very high	24 Å²	24	37.6 Å²	37.6	12%	0.123	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	125	177.2	-52.3	-168.8	0	0	0	109.8	R434 E435 L436 Y437 I462 T493	R434-I464 PolarHBondContact O-N 3.25Å; E435-I464 HydrophobicContact CB-CB 4.12Å; E435-I464 HydrophobicContact CG-CB 3.96Å; E435-I464 HydrophobicContact CG-CD1 3.99Å; E435-I464 HydrophobicContact CG-CG1 3.98Å; L436-I464 PolarHBondContact N-O 3.11Å; Y437-I464 HydrophobicContact CE1-CG2 4.28Å; I462-I464 WeakPolarHBondContact CG2-O 3.3Å; I464-T493 HydrophobicContact CG2-CG2 4.05Å
465	L	98.5	Very high	96.5	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	113.8	171.1	-178.1	63	0	0	0	109.5	L436 L438 L456 I462 L467 L491 T493 L494 V495	L436-L465 HydrophobicContact CB-CD1 4.23Å; L436-L465 HydrophobicContact CD2-CD1 3.95Å; L436-L465 HydrophobicContact CG-CD1 4.29Å; L438-L465 HydrophobicContact CD1-CD1 4.21Å; L456-L465 HydrophobicContact CD1-CD2 4.2Å; L456-L465 HydrophobicContact CD2-CD2 4.08Å; L456-L465 HydrophobicContact CG-CD2 4.34Å; I462-L465 HydrophobicContact CG2-CB 4.5Å; L465-L467 HydrophobicContact CD1-CD2 3.93Å; L465-L467 HydrophobicContact CD2-CD1 4.21Å; L465-L467 HydrophobicContact CD2-CD2 4.31Å; L465-L467 HydrophobicContact CD2-CG 4.32Å; L465-L467 HydrophobicContact CG-CD1 4.46Å; L465-L467 HydrophobicContact CG-CD2 3.97Å; L465-L467 HydrophobicContact CG-CG 4.03Å; L465-L491 HydrophobicContact CB-CD1 3.62Å; L465-T493 PolarHBondContact N-O 2.9Å; L465-L494 HydrophobicContact CB-CD1 4.4Å; L465-L494 HydrophobicContact CD2-CD1 4.29Å; L465-L494 HydrophobicContact CG-CD1 4.43Å; L465-V495 PolarHBondContact O-N 2.82Å
466	D	98.5	Very high	96.5	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	118.9	174.6	-165.9	-17.6	0	0	0	111.1	L436 Y437 L438 R468 V495	L436-D466 PolarHBondContact O-N 3.28Å; Y437-D466 HydrophobicContact CD1-CB 3.54Å; Y437-D466 HydrophobicContact CE1-CB 4.22Å; Y437-D466 HydrophobicContact CG-CB 4.27Å; L438-D466 WeakPolarHBondContact CA-O 3.35Å; L438-D466 PolarHBondContact N-O 2.87Å; D466-R468 VanDerWaalsContact OD1-CB 3.25Å; D466-R468 WeakPolarHBondContact OD1-CB 3.44Å; D466-R468 VanDerWaalsContact OD1-CG 3.23Å; D466-R468 WeakPolarHBondContact OD1-CG 3.32Å; D466-R468 PolarHBondContact OD1-N 2.66Å; D466-R468 WeakPolarHBondContact OD2-CD 3.33Å; D466-R468 IonicContact OD2-CZ 2.64Å; D466-R468 IonicContact OD2-NE 3.09Å; D466-R468 IonicContact OD2-NH1 3.23Å; D466-R468 PolarHBondContact OD2-NH1 3.03Å; D466-V495 HydrophobicContact CB-CB 4.29Å; D466-V495 WeakPolarHBondContact OD1-CB 3.3Å; D466-V495 WeakPolarHBondContact OD1-CG1 3.05Å
467	L	98.3	Very high	96.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.176	C	C	.	.			trans	-116	17	178.6	-54.8	179.4	0	0	0	111.9	L438 L452 L465 N470 L480 L494 V495 L496 N499	L438-L467 HydrophobicContact CB-CD2 4.14Å; L438-L467 HydrophobicContact CD1-CD2 3.95Å; L438-L467 HydrophobicContact CG-CD2 4.45Å; L452-L467 HydrophobicContact CD1-CD1 4.02Å; L452-L467 HydrophobicContact CD1-CD2 3.71Å; L452-L467 HydrophobicContact CD2-CD2 4.37Å; L465-L467 HydrophobicContact CD1-CD2 3.93Å; L465-L467 HydrophobicContact CD2-CD1 4.21Å; L465-L467 HydrophobicContact CD2-CD2 4.31Å; L465-L467 HydrophobicContact CD2-CG 4.32Å; L465-L467 HydrophobicContact CG-CD1 4.46Å; L465-L467 HydrophobicContact CG-CD2 3.97Å; L465-L467 HydrophobicContact CG-CG 4.03Å; L467-N470 PolarHBondContact O-ND2 2.77Å; L467-L480 HydrophobicContact CD1-CD1 3.72Å; L467-L480 HydrophobicContact CD1-CD2 4.25Å; L467-L494 HydrophobicContact CD1-CD1 4.35Å; L467-V495 WeakPolarHBondContact CA-O 3.31Å; L467-V495 PolarHBondContact N-O 2.89Å; L467-L496 HydrophobicContact CB-CD2 4.37Å; L467-L496 HydrophobicContact CD1-CD2 4.03Å; L467-N499 PolarHBondContact O-ND2 2.91Å; L467-N499 PolarHBondContact O-OD1 2.87Å
468	R	98	Very high	96.7	Very high	59 Å²	59	35.2 Å²	35.2	22%	0.223	17%	0.173	C	C	.	.			trans	-53	148.7	-176	69	-169.5	-177.6	-133.1	4.6	113.6	E411 A439 D440 D466 N470 V495 W497	E411-R468 IonicContact OE1-CZ 3.49Å; E411-R468 IonicContact OE1-NH2 3.62Å; E411-R468 PolarHBondContact OE1-NH2 3.02Å; E411-R468 VanDerWaalsContact OE1-NH2 3.09Å; E411-R468 IonicContact OE2-CZ 3.47Å; E411-R468 IonicContact OE2-NH2 3.7Å; E411-R468 PolarHBondContact OE2-NH2 2.74Å; A439-R468 CarbonylContact C-O 3.6Å; A439-R468 VanDerWaalsContact CA-O 3.28Å; A439-R468 WeakPolarHBondContact CA-O 3.38Å; A439-R468 HydrophobicContact CB-CG 3.35Å; D440-R468 PolarHBondContact N-O 3.06Å; D466-R468 VanDerWaalsContact OD1-CB 3.25Å; D466-R468 WeakPolarHBondContact OD1-CB 3.44Å; D466-R468 VanDerWaalsContact OD1-CG 3.23Å; D466-R468 WeakPolarHBondContact OD1-CG 3.32Å; D466-R468 PolarHBondContact OD1-N 2.66Å; D466-R468 WeakPolarHBondContact OD2-CD 3.33Å; D466-R468 IonicContact OD2-CZ 2.64Å; D466-R468 IonicContact OD2-NE 3.09Å; D466-R468 IonicContact OD2-NH1 3.23Å; D466-R468 PolarHBondContact OD2-NH1 3.03Å; R468-N470 PolarHBondContact O-N 3Å; R468-N470 PolarHBondContact O-ND2 2.96Å; R468-V495 HydrophobicContact CB-CG1 4.18Å; R468-W497 CarbonylContact C-O 3.47Å; R468-W497 VanDerWaalsContact CA-O 3.24Å; R468-W497 WeakPolarHBondContact CA-O 3.42Å; R468-W497 HydrophobicContact CB-CB 3.97Å
469	N	97.6	Very high	96.9	Very high	46 Å²	46	34 Å²	34	25%	0.246	17%	0.166	C	C	.	.	S	Bend	trans	57.4	43.2	175.7	-54.6	-36	0	0	0	114.3	D440 W497 N498	D440-N469 WeakPolarHBondContact CA-O 3.31Å; D440-N469 HydrophobicContact CB-CB 4.39Å; D440-N469 VanDerWaalsContact CG-CB 3.42Å; D440-N469 VanDerWaalsContact CG-ND2 3.34Å; D440-N469 WeakPolarHBondContact OD1-CB 3.5Å; D440-N469 PolarHBondContact OD1-ND2 2.97Å; D440-N469 VanDerWaalsContact OD1-ND2 3.14Å; D440-N469 WeakPolarHBondContact OD2-CB 3.42Å; D440-N469 PolarHBondContact OD2-ND2 3.33Å; N469-W497 PolarHBondContact N-O 3.05Å; N469-N498 WeakPolarHBondContact CA-O 3.35Å; N469-N498 PolarHBondContact N-O 3.27Å; N469-N498 WeakPolarHBondContact OD1-CB 3.23Å; N469-N498 PolarHBondContact OD1-ND2 3.38Å
470	N	97.8	Very high	97.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	-118.5	179.1	175.7	-75.8	-65.6	0	0	0	111.5	L438 N441 K442 L443 L467 R468 I472 N499 Q500	L438-N470 PolarHBondContact O-ND2 3.31Å; N441-N470 WeakPolarHBondContact CA-OD1 3.47Å; N441-N470 PolarHBondContact N-OD1 3.49Å; K442-N470 PolarHBondContact N-OD1 2.99Å; L443-N470 HydrophobicContact CB-CB 4.09Å; L443-N470 WeakPolarHBondContact CG-OD1 3.45Å; L443-N470 PolarHBondContact N-OD1 3.42Å; L467-N470 PolarHBondContact O-ND2 2.77Å; R468-N470 PolarHBondContact O-N 3Å; R468-N470 PolarHBondContact O-ND2 2.96Å; N470-I472 HydrophobicContact CB-CG1 4.15Å; N470-N499 WeakPolarHBondContact CB-OD1 3.16Å; N470-N499 WeakPolarHBondContact O-CA 3.46Å; N470-N499 PolarHBondContact O-OD1 2.96Å; N470-Q500 PolarHBondContact O-NE2 3.32Å
471	H	96.1	Very high	97.3	Very high	85 Å²	85	29 Å²	29	39%	0.394	15%	0.146	S	C	.	.	B	Isolated β-bridge	trans	-107.2	46	178.3	-59.2	-84.9	0	0	0	111.1	L443 N444 G445 L473 Q500	L443-H471 CarbonylContact O-C 3.51Å; L443-H471 VanDerWaalsContact O-CA 3.27Å; L443-H471 WeakPolarHBondContact O-CA 3.11Å; L443-H471 WeakPolarHBondContact O-CB 3.41Å; L443-H471 PolarHBondContact O-N 2.87Å; N444-H471 CarbonylContact C-O 3.16Å; G445-H471 WeakPolarHBondContact CA-O 3.33Å; G445-H471 PolarHBondContact N-O 2.88Å; H471-L473 WeakPolarHBondContact O-CG 3.37Å; H471-L473 PolarHBondContact O-N 3.33Å; H471-Q500 VanDerWaalsContact ND1-CD 3.35Å; H471-Q500 PolarHBondContact ND1-NE2 3.39Å; H471-Q500 PolarHBondContact ND1-OE1 2.85Å
472	I	96.9	Very high	97.3	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.159	C	C	.	.			trans	-64.2	-36.9	-178.1	-64.9	-67.6	0	0	0	111.7	L443 G445 S449 L452 N470 G476 L480 N499 L501	L443-I472 HydrophobicContact CB-CD1 4.28Å; G445-I472 WeakPolarHBondContact CA-O 3.47Å; S449-I472 VanDerWaalsContact OG-CD1 3.23Å; S449-I472 WeakPolarHBondContact OG-CD1 3.08Å; L452-I472 HydrophobicContact CD1-CD1 4.19Å; N470-I472 HydrophobicContact CB-CG1 4.15Å; I472-G476 WeakPolarHBondContact O-CA 3.37Å; I472-G476 PolarHBondContact O-N 3.11Å; I472-L480 HydrophobicContact CG2-CD1 3.81Å; I472-N499 HydrophobicContact CB-CB 4.31Å; I472-N499 VanDerWaalsContact CB-OD1 3.29Å; I472-N499 WeakPolarHBondContact CB-OD1 3.34Å; I472-N499 WeakPolarHBondContact CG1-OD1 3.28Å; I472-L501 HydrophobicContact CG2-CD2 4.5Å
473	L	96.9	Very high	97.3	Very high	68 Å²	68	31.8 Å²	31.8	36%	0.356	16%	0.159	S	C	.	.	H	α-helix	trans	57.3	176.8	176.7	-56.6	163.5	0	0	0	113.9	H471 S475 G476 L477 N499 Q500 L501	H471-L473 WeakPolarHBondContact O-CG 3.37Å; H471-L473 PolarHBondContact O-N 3.33Å; L473-S475 VanDerWaalsContact C-N 3.3Å; L473-S475 PolarHBondContact O-N 2.96Å; L473-G476 PolarHBondContact O-N 2.82Å; L473-L477 WeakPolarHBondContact O-CB 3.4Å; L473-L477 PolarHBondContact O-N 2.86Å; L473-N499 PolarHBondContact N-O 3.05Å; L473-N499 VanDerWaalsContact N-O 3.1Å; L473-Q500 HydrophobicContact CD2-CB 3.67Å; L473-L501 VanDerWaalsContact C-CD2 3.5Å; L473-L501 WeakPolarHBondContact O-CD2 3.32Å
474	D	97.3	Very high	97.3	Very high	29 Å²	29	27.8 Å²	27.8	16%	0.155	14%	0.14	C	C	.	.	H	α-helix	trans	-66.5	-31.4	-179.8	-65.3	-35.6	0	0	0	113	A478 T502 G505	D474-A478 PolarHBondContact O-N 3.14Å; D474-T502 PolarHBondContact OD1-N 2.68Å; D474-T502 WeakPolarHBondContact OD2-CB 3.47Å; D474-T502 WeakPolarHBondContact OD2-CG2 3.34Å; D474-T502 PolarHBondContact OD2-OG1 3.16Å; D474-G505 WeakPolarHBondContact OD1-CA 3.22Å; D474-G505 PolarHBondContact OD1-N 3.48Å
475	S	95.8	Very high	97.1	Very high	55 Å²	55	30.4 Å²	30.4	39%	0.385	15%	0.15	S	C	.	.	H	α-helix	trans	-69.5	-40.3	175.5	54.4	0	0	0	0	112.4	G445 L473 A478 Y479	G445-S475 CarbonylContact O-C 3.59Å; G445-S475 WeakPolarHBondContact O-CB 3.48Å; G445-S475 PolarHBondContact O-OG 3.16Å; L473-S475 VanDerWaalsContact C-N 3.3Å; L473-S475 PolarHBondContact O-N 2.96Å; S475-A478 WeakPolarHBondContact O-CB 3.41Å; S475-A478 PolarHBondContact O-N 3.22Å; S475-Y479 VanDerWaalsContact O-CD2 3.3Å; S475-Y479 WeakPolarHBondContact O-CD2 3.08Å
476	G	96.8	Very high	96.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-71.8	-36.8	177	0	0	0	0	0	111.9	G445 S449 I472 L473 A478 Y479 L480	G445-G476 WeakPolarHBondContact O-CA 3.28Å; G445-G476 PolarHBondContact O-N 2.95Å; S449-G476 WeakPolarHBondContact OG-CA 3.37Å; I472-G476 WeakPolarHBondContact O-CA 3.37Å; I472-G476 PolarHBondContact O-N 3.11Å; L473-G476 PolarHBondContact O-N 2.82Å; G476-A478 PolarHBondContact O-N 2.9Å; G476-Y479 PolarHBondContact O-N 3.21Å; G476-Y479 VanDerWaalsContact O-N 3.14Å; G476-L480 WeakPolarHBondContact O-CG 3.46Å; G476-L480 PolarHBondContact O-N 2.91Å
477	L	98.1	Very high	96.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58.3	-34.5	171.5	-177.4	61.5	0	0	0	112	L473 L480 C481 L496 L501 G505 M506	L473-L477 WeakPolarHBondContact O-CB 3.4Å; L473-L477 PolarHBondContact O-N 2.86Å; L477-L480 PolarHBondContact O-N 2.84Å; L477-C481 VanDerWaalsContact O-CB 3.24Å; L477-C481 WeakPolarHBondContact O-CB 3.49Å; L477-C481 PolarHBondContact O-N 2.83Å; L477-C481 PolarHBondContact O-SG 2.93Å; L477-L496 HydrophobicContact CD1-CD1 3.81Å; L477-L501 HydrophobicContact CB-CD2 3.96Å; L477-L501 HydrophobicContact CD2-CD1 4.18Å; L477-L501 HydrophobicContact CD2-CD2 4.19Å; L477-G505 WeakPolarHBondContact CD2-O 3.44Å; L477-M506 HydrophobicContact CD2-CE 3.71Å
478	A	97.5	Very high	95.8	Very high	26 Å²	26	41.4 Å²	41.4	22%	0.215	20%	0.195	C	C	.	.	H	α-helix	trans	-60.4	-45.1	174.7	0	0	0	0	0	112.4	D474 S475 G476 C481 E482 Y508	D474-A478 PolarHBondContact O-N 3.14Å; S475-A478 WeakPolarHBondContact O-CB 3.41Å; S475-A478 PolarHBondContact O-N 3.22Å; G476-A478 PolarHBondContact O-N 2.9Å; A478-C481 PolarHBondContact O-N 3.04Å; A478-E482 PolarHBondContact O-N 2.98Å; A478-Y508 HydrophobicContact CB-CD1 3.96Å; A478-Y508 HydrophobicContact CB-CD2 3.71Å; A478-Y508 HydrophobicContact CB-CE1 4.02Å; A478-Y508 HydrophobicContact CB-CE2 3.78Å; A478-Y508 HydrophobicContact CB-CG 3.8Å
479	Y	97.9	Very high	95.1	Very high	90 Å²	90	47.4 Å²	47.4	35%	0.353	22%	0.223	S	C	.	.	H	α-helix	trans	-66.3	-40.9	175.8	-67.5	-69.9	0	0	0	112.8	L446 A450 G453 S475 G476 C481 E482 G483	L446-Y479 HydrophobicContact CD1-CE2 4.21Å; A450-Y479 HydrophobicContact CB-CD1 4Å; A450-Y479 HydrophobicContact CB-CD2 4.24Å; A450-Y479 HydrophobicContact CB-CE1 4.16Å; A450-Y479 HydrophobicContact CB-CE2 4.4Å; A450-Y479 HydrophobicContact CB-CG 4.04Å; G453-Y479 WeakPolarHBondContact CA-O 3.38Å; S475-Y479 VanDerWaalsContact O-CD2 3.3Å; S475-Y479 WeakPolarHBondContact O-CD2 3.08Å; G476-Y479 PolarHBondContact O-N 3.21Å; G476-Y479 VanDerWaalsContact O-N 3.14Å; Y479-C481 VanDerWaalsContact C-N 3.3Å; Y479-C481 PolarHBondContact O-N 2.77Å; Y479-E482 WeakPolarHBondContact O-CB 3.48Å; Y479-E482 PolarHBondContact O-N 3.45Å; Y479-G483 PolarHBondContact O-N 2.94Å
480	L	97.7	Very high	94.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.8	-42.6	173.1	-64.2	178.7	0	0	0	110.8	L452 L456 L467 I472 G476 L477 E482 G483 L484 L496	L452-L480 HydrophobicContact CB-CD2 3.54Å; L456-L480 HydrophobicContact CD1-CD2 4.09Å; L467-L480 HydrophobicContact CD1-CD1 3.72Å; L467-L480 HydrophobicContact CD1-CD2 4.25Å; I472-L480 HydrophobicContact CG2-CD1 3.81Å; G476-L480 WeakPolarHBondContact O-CG 3.46Å; G476-L480 PolarHBondContact O-N 2.91Å; L477-L480 PolarHBondContact O-N 2.84Å; L480-E482 VanDerWaalsContact C-N 3.29Å; L480-E482 PolarHBondContact O-N 3.07Å; L480-G483 PolarHBondContact O-N 2.83Å; L480-L484 WeakPolarHBondContact O-CB 2.99Å; L480-L484 VanDerWaalsContact O-CG 3.24Å; L480-L484 WeakPolarHBondContact O-CG 3.29Å; L480-L484 PolarHBondContact O-N 3.05Å; L480-L496 HydrophobicContact CD1-CD2 3.82Å
481	C	97.2	Very high	94.7	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.014	21%	0.211	C	C	.	.	H	α-helix	trans	-67.7	-22.7	176.9	-70	0	0	0	0	113.8	L477 A478 Y479 K485 A512	L477-C481 VanDerWaalsContact O-CB 3.24Å; L477-C481 WeakPolarHBondContact O-CB 3.49Å; L477-C481 PolarHBondContact O-N 2.83Å; L477-C481 PolarHBondContact O-SG 2.93Å; A478-C481 PolarHBondContact O-N 3.04Å; Y479-C481 VanDerWaalsContact C-N 3.3Å; Y479-C481 PolarHBondContact O-N 2.77Å; C481-K485 WeakPolarHBondContact O-CD 3.46Å; C481-K485 WeakPolarHBondContact O-CG 3.5Å; C481-A512 HydrophobicContact CB-CB 3.89Å
482	E	95.9	Very high	94.8	Very high	96 Å²	96	42.9 Å²	42.9	45%	0.449	20%	0.203	S	C	.	.	H	α-helix	trans	-69.6	-49.1	168.2	-161.8	-165.2	135.3	0	0	110.7	K457 A478 Y479 L480 L484 K485	K457-E482 IonicContact NZ-OE1 3.99Å; K457-E482 PolarHBondContact NZ-OE1 3.39Å; A478-E482 PolarHBondContact O-N 2.98Å; Y479-E482 WeakPolarHBondContact O-CB 3.48Å; Y479-E482 PolarHBondContact O-N 3.45Å; L480-E482 VanDerWaalsContact C-N 3.29Å; L480-E482 PolarHBondContact O-N 3.07Å; E482-L484 PolarHBondContact O-N 3.29Å; E482-K485 PolarHBondContact O-N 3.45Å
483	G	95.7	Very high	94.9	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-62.8	-40.4	176.9	0	0	0	0	0	113.4	G453 Y479 L480 K485 E486	G453-G483 WeakPolarHBondContact O-CA 3.48Å; Y479-G483 PolarHBondContact O-N 2.94Å; L480-G483 PolarHBondContact O-N 2.83Å; G483-K485 PolarHBondContact O-N 2.84Å; G483-E486 PolarHBondContact O-N 3.49Å
484	L	95.8	Very high	94.9	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-63.2	-21.1	179.1	-72.9	168.4	0	0	0	114.2	L456 L480 E482 E486 Q487 L491 L494 T516	L456-L484 HydrophobicContact CD1-CD2 4.27Å; L456-L484 HydrophobicContact CD1-CG 4.28Å; L480-L484 WeakPolarHBondContact O-CB 2.99Å; L480-L484 VanDerWaalsContact O-CG 3.24Å; L480-L484 WeakPolarHBondContact O-CG 3.29Å; L480-L484 PolarHBondContact O-N 3.05Å; E482-L484 PolarHBondContact O-N 3.29Å; L484-E486 VanDerWaalsContact C-N 3.28Å; L484-E486 PolarHBondContact O-N 2.83Å; L484-Q487 HydrophobicContact CD2-CG 4.5Å; L484-Q487 PolarHBondContact O-N 3.42Å; L484-L491 HydrophobicContact CD2-CD2 3.78Å; L484-L494 HydrophobicContact CD1-CD2 3.74Å; L484-L494 HydrophobicContact CD2-CD2 4.27Å; L484-T516 PolarHBondContact O-OG1 2.98Å
485	K	94.4	Very high	95	Very high	79 Å²	79	39.4 Å²	39.4	34%	0.343	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-25.8	176.7	-75.3	165.3	-177.4	178.6	0	112.9	C481 E482 G483 A511 A512 C515	C481-K485 WeakPolarHBondContact O-CD 3.46Å; C481-K485 WeakPolarHBondContact O-CG 3.5Å; E482-K485 PolarHBondContact O-N 3.45Å; G483-K485 PolarHBondContact O-N 2.84Å; K485-A511 WeakPolarHBondContact CE-O 3.39Å; K485-A512 HydrophobicContact CG-CB 4Å; K485-C515 HydrophobicContact CB-CB 4.18Å; K485-C515 HydrophobicContact CG-CB 4.02Å
486	E	92.4	Very high	95.1	Very high	78 Å²	78	36.8 Å²	36.8	36%	0.364	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-12.8	174.7	-54.6	-55.7	161.9	0	0	112.6	K457 Y460 G483 L484 R488	K457-E486 HydrophobicContact CG-CG 4.17Å; Y460-E486 WeakPolarHBondContact CE1-O 3.37Å; G483-E486 PolarHBondContact O-N 3.49Å; L484-E486 VanDerWaalsContact C-N 3.28Å; L484-E486 PolarHBondContact O-N 2.83Å; E486-R488 PolarHBondContact O-N 2.88Å
487	Q	90.6	Very high	95.2	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	18%	0.177	C	C	.	.			trans	-72.4	87.8	-176.6	-74.6	-67	-17.9	0	0	113	L456 N459 L484 L491 T516 Q517 S518	L456-Q487 PolarHBondContact O-NE2 2.95Å; N459-Q487 PolarHBondContact O-NE2 2.83Å; L484-Q487 HydrophobicContact CD2-CG 4.5Å; L484-Q487 PolarHBondContact O-N 3.42Å; Q487-L491 HydrophobicContact CG-CB 4.3Å; Q487-T516 HydrophobicContact CB-CG2 4.23Å; Q487-Q517 PolarHBondContact O-N 3.47Å; Q487-S518 PolarHBondContact O-OG 2.81Å
488	R	85.1	Confident	95.1	Very high	153 Å²	153	41.6 Å²	41.6	58%	0.577	19%	0.189	S	C	*	.	S	Bend	trans	-94.9	-26.4	175.7	-59	-173	-166.3	-161.2	3.4	114.6	E486	E486-R488 PolarHBondContact O-N 2.88Å
489	K	84.7	Confident	95.2	Very high	185 Å²	185	40.4 Å²	40.4	80%	0.804	18%	0.179	S	C	*	.	S	Bend	trans	-143.9	-5.4	-172.7	-71	-167.4	176.1	-172.9	0	115.7
490	G	89.8	Confident	95.1	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-93.3	-89.3	-176.1	0	0	0	0	0	112	Y460 I462 V492	Y460-G490 WeakPolarHBondContact O-CA 3.37Å; I462-G490 CarbonylContact O-C 3.6Å; I462-G490 VanDerWaalsContact O-C 3.3Å; G490-V492 PolarHBondContact O-N 3.09Å
491	L	96.5	Very high	95.1	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.18	C	C	.	.			trans	-67.4	123.9	-168.3	-162.9	73.9	0	0	0	112.1	L456 I462 L465 L484 Q487 L494 S518 L519	L456-L491 HydrophobicContact CD2-CB 4.45Å; L456-L491 HydrophobicContact CD2-CD1 4.39Å; L456-L491 HydrophobicContact CD2-CD2 3.97Å; I462-L491 HydrophobicContact CG2-CD1 4.16Å; I462-L491 WeakPolarHBondContact O-CA 3.36Å; I462-L491 PolarHBondContact O-N 3.06Å; L465-L491 HydrophobicContact CB-CD1 3.62Å; L484-L491 HydrophobicContact CD2-CD2 3.78Å; Q487-L491 HydrophobicContact CG-CB 4.3Å; L491-L494 HydrophobicContact CD2-CB 3.92Å; L491-L494 HydrophobicContact CD2-CD1 4.25Å; L491-L494 HydrophobicContact CD2-CG 4.45Å; L491-S518 CarbonylContact O-C 3.49Å; L491-S518 VanDerWaalsContact O-CB 3.3Å; L491-S518 WeakPolarHBondContact O-CB 3.47Å; L491-S518 PolarHBondContact O-OG 3.36Å; L491-L519 HydrophobicContact CD2-CD1 4.22Å; L491-L519 HydrophobicContact CG-CD1 4.34Å; L491-L519 WeakPolarHBondContact O-CA 3.46Å; L491-L519 PolarHBondContact O-N 2.98Å
492	V	97.8	Very high	95.1	Very high	37 Å²	37	41.6 Å²	41.6	22%	0.224	19%	0.19	C	C	.	.			trans	-106.3	-35.1	179.9	-178.4	0	0	0	0	111.4	Q463 G490 S518 E520 T521	Q463-V492 HydrophobicContact CB-CB 4.4Å; Q463-V492 HydrophobicContact CB-CG2 4.12Å; Q463-V492 HydrophobicContact CG-CG2 4.19Å; Q463-V492 CarbonylContact O-C 3.5Å; Q463-V492 WeakPolarHBondContact O-CA 3.4Å; Q463-V492 PolarHBondContact O-N 3.1Å; G490-V492 PolarHBondContact O-N 3.09Å; V492-S518 WeakPolarHBondContact CA-O 3.24Å; V492-E520 HydrophobicContact CG1-CB 3.95Å; V492-E520 HydrophobicContact CG1-CG 3.96Å; V492-E520 PolarHBondContact O-N 3.48Å; V492-T521 PolarHBondContact O-N 2.68Å
493	T	98.5	Very high	95.1	Very high	18 Å²	18	40 Å²	40	11%	0.11	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	124.8	-179.1	-67.9	0	0	0	0	111.1	Q463 I464 L465 V495 T521	Q463-T493 PolarHBondContact O-N 2.89Å; I464-T493 HydrophobicContact CG2-CG2 4.05Å; L465-T493 PolarHBondContact N-O 2.9Å; T493-V495 HydrophobicContact CG2-CG2 4.16Å; T493-T521 WeakPolarHBondContact CA-O 3.28Å; T493-T521 HydrophobicContact CG2-CG2 4.14Å; T493-T521 VanDerWaalsContact OG1-CB 3.31Å; T493-T521 WeakPolarHBondContact OG1-CB 3.46Å; T493-T521 PolarHBondContact OG1-OG1 3.48Å
494	L	98.5	Very high	95.2	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	121.6	172.6	-179.5	58.4	0	0	0	110.3	L465 L467 L484 L491 L496 L519 T521 L522 N523	L465-L494 HydrophobicContact CB-CD1 4.4Å; L465-L494 HydrophobicContact CD2-CD1 4.29Å; L465-L494 HydrophobicContact CG-CD1 4.43Å; L467-L494 HydrophobicContact CD1-CD1 4.35Å; L484-L494 HydrophobicContact CD1-CD2 3.74Å; L484-L494 HydrophobicContact CD2-CD2 4.27Å; L491-L494 HydrophobicContact CD2-CB 3.92Å; L491-L494 HydrophobicContact CD2-CD1 4.25Å; L491-L494 HydrophobicContact CD2-CG 4.45Å; L494-L496 HydrophobicContact CD1-CG 4.29Å; L494-L496 HydrophobicContact CD2-CD1 3.86Å; L494-L496 HydrophobicContact CD2-CG 4.29Å; L494-L496 HydrophobicContact CG-CD1 4.12Å; L494-L496 HydrophobicContact CG-CG 4.03Å; L494-L519 HydrophobicContact CB-CD1 3.8Å; L494-T521 PolarHBondContact N-O 2.94Å; L494-L522 HydrophobicContact CD2-CD1 4.47Å; L494-N523 PolarHBondContact O-N 3.08Å
495	V	98.6	Very high	95.2	Very high	5 Å²	5	44 Å²	44	3%	0.03	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	115.7	174.7	-177.8	0	0	0	0	109.7	L465 D466 L467 R468 T493 W497 N523	L465-V495 PolarHBondContact O-N 2.82Å; D466-V495 HydrophobicContact CB-CB 4.29Å; D466-V495 WeakPolarHBondContact OD1-CB 3.3Å; D466-V495 WeakPolarHBondContact OD1-CG1 3.05Å; L467-V495 WeakPolarHBondContact CA-O 3.31Å; L467-V495 PolarHBondContact N-O 2.89Å; R468-V495 HydrophobicContact CB-CG1 4.18Å; T493-V495 HydrophobicContact CG2-CG2 4.16Å; V495-W497 HydrophobicContact CG1-CB 3.97Å; V495-N523 HydrophobicContact CG1-CB 4.33Å; V495-N523 HydrophobicContact CG2-CB 4.41Å
496	L	98.1	Very high	95.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.187	C	C	.	.			trans	-116.5	25.9	177.5	-71	165.9	0	0	0	111.1	L467 L477 L480 L494 N498 N499 L501 N523 L524 N527	L467-L496 HydrophobicContact CB-CD2 4.37Å; L467-L496 HydrophobicContact CD1-CD2 4.03Å; L477-L496 HydrophobicContact CD1-CD1 3.81Å; L480-L496 HydrophobicContact CD1-CD2 3.82Å; L494-L496 HydrophobicContact CD1-CG 4.29Å; L494-L496 HydrophobicContact CD2-CD1 3.86Å; L494-L496 HydrophobicContact CD2-CG 4.29Å; L494-L496 HydrophobicContact CG-CD1 4.12Å; L494-L496 HydrophobicContact CG-CG 4.03Å; L496-N498 PolarHBondContact O-N 3.08Å; L496-N499 VanDerWaalsContact C-ND2 3.35Å; L496-N499 WeakPolarHBondContact O-CB 3.27Å; L496-N499 PolarHBondContact O-ND2 2.93Å; L496-L501 HydrophobicContact CB-CD1 4.05Å; L496-L501 HydrophobicContact CD1-CD1 4.31Å; L496-N523 CarbonylContact C-O 3.57Å; L496-N523 WeakPolarHBondContact CA-O 3.06Å; L496-N523 PolarHBondContact N-O 3.14Å; L496-L524 HydrophobicContact CB-CD2 4.25Å; L496-L524 HydrophobicContact CD1-CD2 3.96Å; L496-N527 PolarHBondContact O-ND2 3.48Å
497	W	97.9	Very high	95.6	Very high	54 Å²	54	38.1 Å²	38.1	21%	0.205	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	134.4	-178.5	-177.5	-83	0	0	0	111.2	R468 N469 V495 N499 G525 H526 A553	R468-W497 CarbonylContact C-O 3.47Å; R468-W497 VanDerWaalsContact CA-O 3.24Å; R468-W497 WeakPolarHBondContact CA-O 3.42Å; R468-W497 HydrophobicContact CB-CB 3.97Å; N469-W497 PolarHBondContact N-O 3.05Å; V495-W497 HydrophobicContact CG1-CB 3.97Å; W497-N499 PolarHBondContact O-N 2.84Å; W497-N499 PolarHBondContact O-ND2 3.42Å; W497-G525 CarbonylContact C-O 3.47Å; W497-G525 VanDerWaalsContact CA-O 3.28Å; W497-G525 WeakPolarHBondContact CA-O 3.26Å; W497-G525 VanDerWaalsContact CE3-CA 3.42Å; W497-H526 HydrophobicContact CD2-CB 4.13Å; W497-H526 HydrophobicContact CG-CB 4.49Å; W497-H526 HydrophobicContact CZ2-CB 3.8Å; W497-A553 HydrophobicContact CH2-CB 4.08Å; W497-A553 HydrophobicContact CZ3-CB 4.08Å
498	N	97.6	Very high	95.9	Very high	48 Å²	48	43.9 Å²	43.9	26%	0.257	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	58	176.1	-171.3	35.6	0	0	0	114.1	N469 L496 G525 H526	N469-N498 WeakPolarHBondContact CA-O 3.35Å; N469-N498 PolarHBondContact N-O 3.27Å; N469-N498 WeakPolarHBondContact OD1-CB 3.23Å; N469-N498 PolarHBondContact OD1-ND2 3.38Å; L496-N498 PolarHBondContact O-N 3.08Å; N498-G525 PolarHBondContact N-O 3.39Å; N498-H526 WeakPolarHBondContact CA-O 3.36Å; N498-H526 HydrophobicContact CB-CB 4.04Å; N498-H526 VanDerWaalsContact CG-ND1 3.33Å; N498-H526 PolarHBondContact OD1-ND1 3.46Å
499	N	97.8	Very high	96.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-113.6	13.5	-176.7	-94.6	-86.6	0	0	0	114.6	L467 N470 I472 L473 L496 W497 L501 N527	L467-N499 PolarHBondContact O-ND2 2.91Å; L467-N499 PolarHBondContact O-OD1 2.87Å; N470-N499 WeakPolarHBondContact CB-OD1 3.16Å; N470-N499 WeakPolarHBondContact O-CA 3.46Å; N470-N499 PolarHBondContact O-OD1 2.96Å; I472-N499 HydrophobicContact CB-CB 4.31Å; I472-N499 VanDerWaalsContact CB-OD1 3.29Å; I472-N499 WeakPolarHBondContact CB-OD1 3.34Å; I472-N499 WeakPolarHBondContact CG1-OD1 3.28Å; L473-N499 PolarHBondContact N-O 3.05Å; L473-N499 VanDerWaalsContact N-O 3.1Å; L496-N499 VanDerWaalsContact C-ND2 3.35Å; L496-N499 WeakPolarHBondContact O-CB 3.27Å; L496-N499 PolarHBondContact O-ND2 2.93Å; W497-N499 PolarHBondContact O-N 2.84Å; W497-N499 PolarHBondContact O-ND2 3.42Å; N499-L501 HydrophobicContact CB-CD1 4.32Å; N499-L501 HydrophobicContact CB-CD2 4.28Å; N499-L501 HydrophobicContact CB-CG 3.93Å; N499-L501 PolarHBondContact O-N 2.9Å; N499-N527 WeakPolarHBondContact CA-OD1 3.36Å; N499-N527 PolarHBondContact N-OD1 3.01Å
500	Q	96.5	Very high	97.1	Very high	82 Å²	82	28.6 Å²	28.6	38%	0.383	15%	0.15	S	C	.	.			trans	56.5	28.4	-175.8	-63.3	134.4	81	0	0	113.6	N470 H471 L473 N527	N470-Q500 PolarHBondContact O-NE2 3.32Å; H471-Q500 VanDerWaalsContact ND1-CD 3.35Å; H471-Q500 PolarHBondContact ND1-NE2 3.39Å; H471-Q500 PolarHBondContact ND1-OE1 2.85Å; L473-Q500 HydrophobicContact CD2-CB 3.67Å; Q500-N527 PolarHBondContact N-OD1 3.35Å; Q500-N527 VanDerWaalsContact N-OD1 3.09Å
501	L	97.7	Very high	97.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.172	C	C	.	.			trans	-70.3	150.7	173.3	-49.4	176.2	0	0	0	110.6	I472 L473 L477 L496 N499 M506 L524 N527 S528	I472-L501 HydrophobicContact CG2-CD2 4.5Å; L473-L501 VanDerWaalsContact C-CD2 3.5Å; L473-L501 WeakPolarHBondContact O-CD2 3.32Å; L477-L501 HydrophobicContact CB-CD2 3.96Å; L477-L501 HydrophobicContact CD2-CD1 4.18Å; L477-L501 HydrophobicContact CD2-CD2 4.19Å; L496-L501 HydrophobicContact CB-CD1 4.05Å; L496-L501 HydrophobicContact CD1-CD1 4.31Å; N499-L501 HydrophobicContact CB-CD1 4.32Å; N499-L501 HydrophobicContact CB-CD2 4.28Å; N499-L501 HydrophobicContact CB-CG 3.93Å; N499-L501 PolarHBondContact O-N 2.9Å; L501-M506 HydrophobicContact CB-CE 4.25Å; L501-M506 HydrophobicContact CD1-CE 4.47Å; L501-L524 HydrophobicContact CD1-CD2 4.1Å; L501-N527 HydrophobicContact CB-CB 3.96Å; L501-N527 WeakPolarHBondContact CG-OD1 3.35Å; L501-N527 PolarHBondContact N-OD1 2.96Å; L501-S528 WeakPolarHBondContact O-CA 3.36Å; L501-S528 PolarHBondContact O-N 3.23Å
502	T	97.2	Very high	97.3	Very high	35 Å²	35	31.3 Å²	31.3	22%	0.215	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-128.1	-179.2	179.1	87.3	0	0	0	0	112.7	D474 N504 G505 S528	D474-T502 PolarHBondContact OD1-N 2.68Å; D474-T502 WeakPolarHBondContact OD2-CB 3.47Å; D474-T502 WeakPolarHBondContact OD2-CG2 3.34Å; D474-T502 PolarHBondContact OD2-OG1 3.16Å; T502-N504 PolarHBondContact O-N 3.33Å; T502-N504 VanDerWaalsContact O-N 3.11Å; T502-N504 PolarHBondContact OG1-N 2.8Å; T502-N504 VanDerWaalsContact OG1-N 3.07Å; T502-N504 PolarHBondContact OG1-ND2 3.26Å; T502-G505 PolarHBondContact O-N 2.95Å; T502-S528 WeakPolarHBondContact CA-O 3.46Å
503	H	97	Very high	97.2	Very high	63 Å²	63	29.6 Å²	29.6	29%	0.292	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-18.2	169.1	55.7	-89.1	0	0	0	114	S528 V529 E532 K536	H503-S528 PolarHBondContact N-O 2.88Å; H503-V529 WeakPolarHBondContact CB-O 3.38Å; H503-E532 HydrophobicContact CB-CB 4.07Å; H503-E532 HydrophobicContact CB-CG 4.37Å; H503-E532 IonicContact CD2-OE1 2.64Å; H503-E532 PolarHBondContact CD2-OE1 3.26Å; H503-E532 IonicContact CD2-OE2 3.42Å; H503-E532 PolarHBondContact CD2-OE2 3.43Å; H503-E532 IonicContact CG-OE2 3.69Å; H503-K536 WeakPolarHBondContact O-CD 3.38Å; H503-K536 PolarHBondContact O-NZ 2.99Å
504	N	96.6	Very high	96.9	Very high	86 Å²	86	32.1 Å²	32.1	46%	0.46	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-43.3	178.8	-65.4	-53.5	0	0	0	112.3	T502 M506 G507	T502-N504 PolarHBondContact O-N 3.33Å; T502-N504 VanDerWaalsContact O-N 3.11Å; T502-N504 PolarHBondContact OG1-N 2.8Å; T502-N504 VanDerWaalsContact OG1-N 3.07Å; T502-N504 PolarHBondContact OG1-ND2 3.26Å; N504-M506 PolarHBondContact O-N 3.42Å; N504-G507 PolarHBondContact O-N 3.35Å
505	G	96.4	Very high	96.6	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-26.8	178	0	0	0	0	0	113.8	D474 L477 T502 G507 Y508	D474-G505 WeakPolarHBondContact OD1-CA 3.22Å; D474-G505 PolarHBondContact OD1-N 3.48Å; L477-G505 WeakPolarHBondContact CD2-O 3.44Å; T502-G505 PolarHBondContact O-N 2.95Å; G505-G507 PolarHBondContact O-N 3.43Å; G505-G507 VanDerWaalsContact O-N 3.16Å; G505-Y508 PolarHBondContact O-N 2.91Å; G505-Y508 VanDerWaalsContact O-N 3.09Å
506	M	97.8	Very high	96.2	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61	-25.6	-178.7	-62.3	-56	98.7	0	0	113.6	L477 L501 N504 Y508 L509 A510 L524 V529 G533 K536 L537	L477-M506 HydrophobicContact CD2-CE 3.71Å; L501-M506 HydrophobicContact CB-CE 4.25Å; L501-M506 HydrophobicContact CD1-CE 4.47Å; N504-M506 PolarHBondContact O-N 3.42Å; M506-Y508 VanDerWaalsContact C-N 3.34Å; M506-Y508 PolarHBondContact O-N 2.82Å; M506-L509 PolarHBondContact O-N 2.95Å; M506-L509 HydrophobicContact SD-CD2 4.37Å; M506-A510 WeakPolarHBondContact O-CB 3.41Å; M506-A510 PolarHBondContact O-N 3.23Å; M506-L524 HydrophobicContact CE-CD2 4.48Å; M506-L524 HydrophobicContact SD-CD1 4.09Å; M506-V529 HydrophobicContact CG-CG1 3.89Å; M506-V529 HydrophobicContact SD-CG1 3.98Å; M506-V529 HydrophobicContact SD-CG2 4.29Å; M506-G533 WeakPolarHBondContact CB-O 3.34Å; M506-K536 HydrophobicContact CB-CB 4.3Å; M506-L537 HydrophobicContact SD-CD2 4.42Å
507	G	96.9	Very high	95.9	Very high	34 Å²	34	40.9 Å²	40.9	35%	0.351	23%	0.225	S	C	.	.	H	α-helix	trans	-63.2	-37.5	175	0	0	0	0	0	113.1	N504 G505 A511	N504-G507 PolarHBondContact O-N 3.35Å; G505-G507 PolarHBondContact O-N 3.43Å; G505-G507 VanDerWaalsContact O-N 3.16Å; G507-A511 WeakPolarHBondContact O-CB 3.4Å; G507-A511 PolarHBondContact O-N 3.07Å; G507-A511 VanDerWaalsContact O-N 3.14Å
508	Y	97.6	Very high	95.7	Very high	121 Å²	121	39.1 Å²	39.1	48%	0.475	22%	0.221	S	C	.	.	H	α-helix	trans	-67.8	-39.4	175.9	-57.7	-63.8	0	0	0	111.7	A478 G505 M506 A511 A512	A478-Y508 HydrophobicContact CB-CD1 3.96Å; A478-Y508 HydrophobicContact CB-CD2 3.71Å; A478-Y508 HydrophobicContact CB-CE1 4.02Å; A478-Y508 HydrophobicContact CB-CE2 3.78Å; A478-Y508 HydrophobicContact CB-CG 3.8Å; G505-Y508 PolarHBondContact O-N 2.91Å; G505-Y508 VanDerWaalsContact O-N 3.09Å; M506-Y508 VanDerWaalsContact C-N 3.34Å; M506-Y508 PolarHBondContact O-N 2.82Å; Y508-A511 CarbonylContact O-C 3.57Å; Y508-A511 PolarHBondContact O-N 3.36Å; Y508-A512 WeakPolarHBondContact O-CB 3.37Å; Y508-A512 PolarHBondContact O-N 2.96Å; Y508-A512 VanDerWaalsContact O-N 3.08Å
509	L	97.1	Very high	95.7	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-71.3	-42.2	-179.5	-171.1	57.6	0	0	0	111.5	M506 A511 A512 L513 L522 L524 L537	M506-L509 PolarHBondContact O-N 2.95Å; M506-L509 HydrophobicContact SD-CD2 4.37Å; L509-A511 VanDerWaalsContact C-N 3.26Å; L509-A511 PolarHBondContact O-N 2.84Å; L509-A512 PolarHBondContact O-N 3.1Å; L509-L513 HydrophobicContact CD1-CG 4.18Å; L509-L513 HydrophobicContact CG-CD1 4.15Å; L509-L513 HydrophobicContact CG-CG 4.28Å; L509-L513 WeakPolarHBondContact O-CB 3.26Å; L509-L513 WeakPolarHBondContact O-CG 3.49Å; L509-L513 PolarHBondContact O-N 3.43Å; L509-L522 HydrophobicContact CD1-CD2 4.48Å; L509-L522 HydrophobicContact CD2-CD1 4.5Å; L509-L522 HydrophobicContact CD2-CD2 4.07Å; L509-L524 HydrophobicContact CD2-CD1 3.78Å; L509-L524 HydrophobicContact CD2-CD2 3.83Å; L509-L524 HydrophobicContact CD2-CG 4.36Å; L509-L537 HydrophobicContact CB-CD1 4.15Å; L509-L537 HydrophobicContact CD2-CD1 4.01Å; L509-L537 HydrophobicContact CG-CD1 3.9Å
510	A	96.3	Very high	95.6	Very high	17 Å²	17	40.1 Å²	40.1	14%	0.14	22%	0.224	C	C	.	.	H	α-helix	trans	-57.6	-38.5	171.5	0	0	0	0	0	112.3	M506 A512 P514 K536 G540	M506-A510 WeakPolarHBondContact O-CB 3.41Å; M506-A510 PolarHBondContact O-N 3.23Å; A510-A512 VanDerWaalsContact C-N 3.35Å; A510-P514 WeakPolarHBondContact O-CD 3.41Å; A510-K536 WeakPolarHBondContact CB-O 3.39Å; A510-G540 WeakPolarHBondContact O-CA 3.46Å
511	A	96.1	Very high	95.7	Very high	57 Å²	57	37.2 Å²	37.2	47%	0.471	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-7.8	176.4	0	0	0	0	0	114.7	K485 G507 Y508 L509	K485-A511 WeakPolarHBondContact CE-O 3.39Å; G507-A511 WeakPolarHBondContact O-CB 3.4Å; G507-A511 PolarHBondContact O-N 3.07Å; G507-A511 VanDerWaalsContact O-N 3.14Å; Y508-A511 CarbonylContact O-C 3.57Å; Y508-A511 PolarHBondContact O-N 3.36Å; L509-A511 VanDerWaalsContact C-N 3.26Å; L509-A511 PolarHBondContact O-N 2.84Å
512	A	96.2	Very high	95.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-39.3	177.8	0	0	0	0	0	112.6	C481 K485 Y508 L509 A510 C515 T516	C481-A512 HydrophobicContact CB-CB 3.89Å; K485-A512 HydrophobicContact CG-CB 4Å; Y508-A512 WeakPolarHBondContact O-CB 3.37Å; Y508-A512 PolarHBondContact O-N 2.96Å; Y508-A512 VanDerWaalsContact O-N 3.08Å; L509-A512 PolarHBondContact O-N 3.1Å; A510-A512 VanDerWaalsContact C-N 3.35Å; A512-C515 WeakPolarHBondContact O-CB 3.31Å; A512-C515 PolarHBondContact O-N 3Å; A512-T516 PolarHBondContact O-N 3.3Å; A512-T516 PolarHBondContact O-OG1 3.43Å
513	L	94.3	Very high	95.8	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-41.3	-176.8	-81.5	174.1	0	0	0	114.6	L509 C515 T516 L519 L522 L537 L541 N544 V547	L509-L513 HydrophobicContact CD1-CG 4.18Å; L509-L513 HydrophobicContact CG-CD1 4.15Å; L509-L513 HydrophobicContact CG-CG 4.28Å; L509-L513 WeakPolarHBondContact O-CB 3.26Å; L509-L513 WeakPolarHBondContact O-CG 3.49Å; L509-L513 PolarHBondContact O-N 3.43Å; L513-C515 PolarHBondContact O-N 2.98Å; L513-T516 PolarHBondContact O-N 3.21Å; L513-L519 HydrophobicContact CD2-CD2 4.25Å; L513-L522 HydrophobicContact CD1-CD2 4.25Å; L513-L522 HydrophobicContact CD2-CD2 4.19Å; L513-L537 HydrophobicContact CD1-CD1 3.79Å; L513-L541 HydrophobicContact CD1-CD2 3.9Å; L513-L541 HydrophobicContact CD1-CG 4.22Å; L513-N544 HydrophobicContact CB-CB 4.22Å; L513-N544 PolarHBondContact O-ND2 2.86Å; L513-V547 HydrophobicContact CD2-CG2 3.95Å
514	P	93.1	Very high	95.8	Very high	70 Å²	70	33.3 Å²	33.3	46%	0.455	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-22.1	175.2	-25.7	36.4	0	0	0	114.8	A510	A510-P514 WeakPolarHBondContact O-CD 3.41Å
515	C	91.9	Very high	95.8	Very high	61 Å²	61	29.2 Å²	29.2	41%	0.412	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-32.4	177.8	-59.3	0	0	0	0	112.5	K485 A512 L513	K485-C515 HydrophobicContact CB-CB 4.18Å; K485-C515 HydrophobicContact CG-CB 4.02Å; A512-C515 WeakPolarHBondContact O-CB 3.31Å; A512-C515 PolarHBondContact O-N 3Å; L513-C515 PolarHBondContact O-N 2.98Å
516	T	91	Very high	95.9	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.031	19%	0.189	C	C	.	.			trans	-72.5	128.9	-176.8	-49.7	0	0	0	0	111.3	L484 Q487 A512 L513 L519 N544 S546	L484-T516 PolarHBondContact O-OG1 2.98Å; Q487-T516 HydrophobicContact CB-CG2 4.23Å; A512-T516 PolarHBondContact O-N 3.3Å; A512-T516 PolarHBondContact O-OG1 3.43Å; L513-T516 PolarHBondContact O-N 3.21Å; T516-L519 HydrophobicContact CG2-CB 3.49Å; T516-L519 VanDerWaalsContact CG2-CB 3.49Å; T516-L519 HydrophobicContact CG2-CD2 4.49Å; T516-N544 PolarHBondContact O-ND2 3.01Å; T516-S546 PolarHBondContact O-OG 3.42Å
517	Q	90.8	Very high	95.9	Very high	123 Å²	123	33.4 Å²	33.4	58%	0.575	19%	0.19	S	C	*	.	S	Bend	trans	-113.7	-22.4	-174.3	-52.5	-176.8	-22.6	0	0	114.1	Q487 S546	Q487-Q517 PolarHBondContact O-N 3.47Å; Q517-S546 VanDerWaalsContact O-CB 3.26Å; Q517-S546 WeakPolarHBondContact O-CB 3.4Å
518	S	94.4	Very high	95.9	Very high	17 Å²	17	33.9 Å²	33.9	12%	0.119	19%	0.188	C	C	.	.	S	Bend	trans	-95	-19.8	-179.2	54.3	0	0	0	0	115	Q487 L491 V492 E520	Q487-S518 PolarHBondContact O-OG 2.81Å; L491-S518 CarbonylContact O-C 3.49Å; L491-S518 VanDerWaalsContact O-CB 3.3Å; L491-S518 WeakPolarHBondContact O-CB 3.47Å; L491-S518 PolarHBondContact O-OG 3.36Å; V492-S518 WeakPolarHBondContact CA-O 3.24Å; S518-E520 PolarHBondContact O-N 3.31Å; S518-E520 VanDerWaalsContact O-N 3.17Å
519	L	96.3	Very high	95.8	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	17%	0.165	C	C	.	.			trans	-74.2	108.4	-170.9	-172.7	74.4	0	0	0	111.5	L491 L494 L513 T516 T521 L522 S546 V547	L491-L519 HydrophobicContact CD2-CD1 4.22Å; L491-L519 HydrophobicContact CG-CD1 4.34Å; L491-L519 WeakPolarHBondContact O-CA 3.46Å; L491-L519 PolarHBondContact O-N 2.98Å; L494-L519 HydrophobicContact CB-CD1 3.8Å; L513-L519 HydrophobicContact CD2-CD2 4.25Å; T516-L519 HydrophobicContact CG2-CB 3.49Å; T516-L519 VanDerWaalsContact CG2-CB 3.49Å; T516-L519 HydrophobicContact CG2-CD2 4.49Å; L519-T521 WeakPolarHBondContact CD1-O 3.38Å; L519-L522 HydrophobicContact CD2-CB 4.38Å; L519-S546 CarbonylContact O-C 3.19Å; L519-S546 VanDerWaalsContact O-CB 3.23Å; L519-S546 WeakPolarHBondContact O-CB 3.3Å; L519-S546 PolarHBondContact O-OG 2.88Å; L519-V547 WeakPolarHBondContact O-CA 3.47Å; L519-V547 WeakPolarHBondContact O-CG2 3.3Å; L519-V547 PolarHBondContact O-N 2.8Å
520	E	96.8	Very high	95.8	Very high	68 Å²	68	28.8 Å²	28.8	32%	0.318	17%	0.173	S	C	.	.			trans	-93.8	-36.7	175.4	-68.9	-174.6	-169	0	0	113.3	V492 S518 S546 L548 R549	V492-E520 HydrophobicContact CG1-CB 3.95Å; V492-E520 HydrophobicContact CG1-CG 3.96Å; V492-E520 PolarHBondContact O-N 3.48Å; S518-E520 PolarHBondContact O-N 3.31Å; S518-E520 VanDerWaalsContact O-N 3.17Å; E520-S546 WeakPolarHBondContact CA-O 3.36Å; E520-L548 HydrophobicContact CB-CG 4.38Å; E520-L548 HydrophobicContact CG-CD1 4.1Å; E520-L548 HydrophobicContact CG-CG 4.25Å; E520-L548 PolarHBondContact O-N 2.85Å; E520-R549 PolarHBondContact O-N 2.79Å; E520-R549 IonicContact OE2-CZ 3.73Å; E520-R549 IonicContact OE2-NH1 2.9Å; E520-R549 PolarHBondContact OE2-NH1 2.93Å; E520-R549 IonicContact OE2-NH2 2.85Å; E520-R549 PolarHBondContact OE2-NH2 2.55Å
521	T	98.2	Very high	95.8	Very high	22 Å²	22	29.5 Å²	29.5	14%	0.135	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.9	-177.1	-35.5	0	0	0	0	110.7	V492 T493 L494 L519 R549	V492-T521 PolarHBondContact O-N 2.68Å; T493-T521 WeakPolarHBondContact CA-O 3.28Å; T493-T521 HydrophobicContact CG2-CG2 4.14Å; T493-T521 VanDerWaalsContact OG1-CB 3.31Å; T493-T521 WeakPolarHBondContact OG1-CB 3.46Å; T493-T521 PolarHBondContact OG1-OG1 3.48Å; L494-T521 PolarHBondContact N-O 2.94Å; L519-T521 WeakPolarHBondContact CD1-O 3.38Å; T521-R549 WeakPolarHBondContact CA-O 3.2Å; T521-R549 HydrophobicContact CG2-CB 3.99Å; T521-R549 PolarHBondContact OG1-NE 3.43Å; T521-R549 PolarHBondContact OG1-NH2 2.85Å
522	L	98	Very high	95.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	116.2	172	172.3	60.5	0	0	0	108.9	L494 L509 L513 L519 L524 R549 L550 G551	L494-L522 HydrophobicContact CD2-CD1 4.47Å; L509-L522 HydrophobicContact CD1-CD2 4.48Å; L509-L522 HydrophobicContact CD2-CD1 4.5Å; L509-L522 HydrophobicContact CD2-CD2 4.07Å; L513-L522 HydrophobicContact CD1-CD2 4.25Å; L513-L522 HydrophobicContact CD2-CD2 4.19Å; L519-L522 HydrophobicContact CD2-CB 4.38Å; L522-L524 HydrophobicContact CD1-CD2 4.1Å; L522-L524 HydrophobicContact CD1-CG 4.1Å; L522-L524 HydrophobicContact CD2-CD1 4.24Å; L522-L524 HydrophobicContact CG-CD1 4.34Å; L522-L524 HydrophobicContact CG-CG 4.11Å; L522-R549 PolarHBondContact N-O 3.03Å; L522-L550 HydrophobicContact CB-CD1 4.26Å; L522-L550 HydrophobicContact CD2-CD1 4.06Å; L522-L550 HydrophobicContact CG-CD1 4.08Å; L522-L550 CarbonylContact O-C 3.36Å; L522-L550 WeakPolarHBondContact O-CA 3.41Å; L522-G551 PolarHBondContact O-N 2.84Å
523	N	98.2	Very high	95.8	Very high	16 Å²	16	31.3 Å²	31.3	9%	0.086	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	113.3	176.3	-170.9	0.5	0	0	0	111.1	L494 V495 L496 G525	L494-N523 PolarHBondContact O-N 3.08Å; V495-N523 HydrophobicContact CG1-CB 4.33Å; V495-N523 HydrophobicContact CG2-CB 4.41Å; L496-N523 CarbonylContact C-O 3.57Å; L496-N523 WeakPolarHBondContact CA-O 3.06Å; L496-N523 PolarHBondContact N-O 3.14Å; N523-G525 PolarHBondContact OD1-N 3.1Å
524	L	97.9	Very high	95.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.173	C	C	.	.			trans	-109.4	10.8	179.8	-64.3	169.4	0	0	0	112.4	L496 L501 M506 L509 L522 N527 L537 G551 L552 T555	L496-L524 HydrophobicContact CB-CD2 4.25Å; L496-L524 HydrophobicContact CD1-CD2 3.96Å; L501-L524 HydrophobicContact CD1-CD2 4.1Å; M506-L524 HydrophobicContact CE-CD2 4.48Å; M506-L524 HydrophobicContact SD-CD1 4.09Å; L509-L524 HydrophobicContact CD2-CD1 3.78Å; L509-L524 HydrophobicContact CD2-CD2 3.83Å; L509-L524 HydrophobicContact CD2-CG 4.36Å; L522-L524 HydrophobicContact CD1-CD2 4.1Å; L522-L524 HydrophobicContact CD1-CG 4.1Å; L522-L524 HydrophobicContact CD2-CD1 4.24Å; L522-L524 HydrophobicContact CG-CD1 4.34Å; L522-L524 HydrophobicContact CG-CG 4.11Å; L524-N527 WeakPolarHBondContact O-CB 3.44Å; L524-N527 PolarHBondContact O-ND2 2.9Å; L524-L537 HydrophobicContact CD1-CD2 3.89Å; L524-G551 PolarHBondContact N-O 2.77Å; L524-L552 HydrophobicContact CB-CD2 4.16Å; L524-L552 HydrophobicContact CD1-CD2 4.2Å; L524-T555 WeakPolarHBondContact O-CG2 3.5Å
525	G	97.2	Very high	96.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	157.9	-172.6	0	0	0	0	0	115	W497 N498 N523 N527 A553	W497-G525 CarbonylContact C-O 3.47Å; W497-G525 VanDerWaalsContact CA-O 3.28Å; W497-G525 WeakPolarHBondContact CA-O 3.26Å; W497-G525 VanDerWaalsContact CE3-CA 3.42Å; N498-G525 PolarHBondContact N-O 3.39Å; N523-G525 PolarHBondContact OD1-N 3.1Å; G525-N527 PolarHBondContact O-N 2.84Å; G525-N527 PolarHBondContact O-ND2 2.95Å; G525-N527 VanDerWaalsContact O-ND2 3.14Å; G525-A553 CarbonylContact C-O 3.43Å; G525-A553 WeakPolarHBondContact CA-O 3.49Å
526	H	97.5	Very high	96.3	Very high	85 Å²	85	32 Å²	32	39%	0.394	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	30.2	-177.9	-156.7	-85.4	0	0	0	114.4	W497 N498 A553 S554	W497-H526 HydrophobicContact CD2-CB 4.13Å; W497-H526 HydrophobicContact CG-CB 4.49Å; W497-H526 HydrophobicContact CZ2-CB 3.8Å; N498-H526 WeakPolarHBondContact CA-O 3.36Å; N498-H526 HydrophobicContact CB-CB 4.04Å; N498-H526 VanDerWaalsContact CG-ND1 3.33Å; N498-H526 PolarHBondContact OD1-ND1 3.46Å; H526-A553 PolarHBondContact N-O 3.11Å; H526-S554 WeakPolarHBondContact CA-O 3.46Å
527	N	98.1	Very high	96.5	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.016	16%	0.161	C	C	.	.	S	Bend	trans	-113	157.8	172	-72.2	-71.1	0	0	0	111.3	L496 N499 Q500 L501 L524 G525 V529 T555	L496-N527 PolarHBondContact O-ND2 3.48Å; N499-N527 WeakPolarHBondContact CA-OD1 3.36Å; N499-N527 PolarHBondContact N-OD1 3.01Å; Q500-N527 PolarHBondContact N-OD1 3.35Å; Q500-N527 VanDerWaalsContact N-OD1 3.09Å; L501-N527 HydrophobicContact CB-CB 3.96Å; L501-N527 WeakPolarHBondContact CG-OD1 3.35Å; L501-N527 PolarHBondContact N-OD1 2.96Å; L524-N527 WeakPolarHBondContact O-CB 3.44Å; L524-N527 PolarHBondContact O-ND2 2.9Å; G525-N527 PolarHBondContact O-N 2.84Å; G525-N527 PolarHBondContact O-ND2 2.95Å; G525-N527 VanDerWaalsContact O-ND2 3.14Å; N527-V529 HydrophobicContact CB-CG2 4.05Å; N527-V529 PolarHBondContact O-N 2.74Å; N527-T555 CarbonylContact O-C 3.31Å; N527-T555 WeakPolarHBondContact O-CA 3.19Å
528	S	96.5	Very high	96.6	Very high	43 Å²	43	28 Å²	28	30%	0.301	14%	0.143	S	C	.	.	B	Isolated β-bridge	trans	-84.3	50	-177.9	-60.7	0	0	0	0	112.9	L501 T502 H503 K556	L501-S528 WeakPolarHBondContact O-CA 3.36Å; L501-S528 PolarHBondContact O-N 3.23Å; T502-S528 WeakPolarHBondContact CA-O 3.46Å; H503-S528 PolarHBondContact N-O 2.88Å; S528-K556 WeakPolarHBondContact OG-CE 3.32Å; S528-K556 PolarHBondContact OG-NZ 2.84Å
529	V	96.6	Very high	96.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.166	C	C	.	.			trans	-61.7	-49.5	-177.8	-176.1	0	0	0	0	111.1	H503 M506 N527 G533 V534 T555	H503-V529 WeakPolarHBondContact CB-O 3.38Å; M506-V529 HydrophobicContact CG-CG1 3.89Å; M506-V529 HydrophobicContact SD-CG1 3.98Å; M506-V529 HydrophobicContact SD-CG2 4.29Å; N527-V529 HydrophobicContact CB-CG2 4.05Å; N527-V529 PolarHBondContact O-N 2.74Å; V529-G533 VanDerWaalsContact O-CA 3.3Å; V529-G533 WeakPolarHBondContact O-CA 3.37Å; V529-G533 PolarHBondContact O-N 3.15Å; V529-G533 VanDerWaalsContact O-N 3.14Å; V529-V534 HydrophobicContact CG1-CG2 4.2Å; V529-T555 HydrophobicContact CB-CG2 4.48Å; V529-T555 HydrophobicContact CG2-CG2 3.92Å
530	G	95.8	Very high	96.3	Very high	16 Å²	16	32.6 Å²	32.6	17%	0.165	17%	0.167	C	C	.	.	H	α-helix	trans	63	-179.1	-179.5	0	0	0	0	0	114.4	E532 G533 V534 T555 L557	G530-E532 PolarHBondContact O-N 2.93Å; G530-G533 PolarHBondContact O-N 3.03Å; G530-V534 PolarHBondContact O-N 3.49Å; G530-T555 PolarHBondContact N-O 3.47Å; G530-L557 VanDerWaalsContact O-CD2 3.3Å; G530-L557 WeakPolarHBondContact O-CD2 3.44Å
531	N	97.1	Very high	96.1	Very high	31 Å²	31	29.9 Å²	29.9	17%	0.166	16%	0.155	C	C	.	.	H	α-helix	trans	-59.1	-47.5	-179.7	-50.9	-31	0	0	0	111	G533 V534 H535 S558 E560 G561	N531-G533 PolarHBondContact O-N 2.71Å; N531-V534 PolarHBondContact O-N 3.19Å; N531-V534 VanDerWaalsContact O-N 3.17Å; N531-H535 PolarHBondContact O-CD2 3.11Å; N531-H535 VanDerWaalsContact O-CD2 3.24Å; N531-H535 PolarHBondContact O-N 3.39Å; N531-S558 VanDerWaalsContact CG-OG 3.23Å; N531-S558 PolarHBondContact ND2-OG 3.2Å; N531-S558 PolarHBondContact OD1-N 3.09Å; N531-S558 PolarHBondContact OD1-OG 2.92Å; N531-E560 HydrophobicContact CB-CB 4.45Å; N531-E560 HydrophobicContact CB-CG 4.15Å; N531-E560 WeakPolarHBondContact CB-OE2 3.34Å; N531-E560 PolarHBondContact ND2-OE2 3.1Å; N531-G561 WeakPolarHBondContact OD1-CA 3.1Å; N531-G561 PolarHBondContact OD1-N 3.47Å
532	E	96.4	Very high	95.8	Very high	95 Å²	95	30.2 Å²	30.2	44%	0.444	16%	0.155	S	C	.	.	H	α-helix	trans	-60.9	-39.3	-179.3	-168.7	-164.1	143.8	0	0	113	H503 G530 V534 H535 K536	H503-E532 HydrophobicContact CB-CB 4.07Å; H503-E532 HydrophobicContact CB-CG 4.37Å; H503-E532 IonicContact CD2-OE1 2.64Å; H503-E532 PolarHBondContact CD2-OE1 3.26Å; H503-E532 IonicContact CD2-OE2 3.42Å; H503-E532 PolarHBondContact CD2-OE2 3.43Å; H503-E532 IonicContact CG-OE2 3.69Å; G530-E532 PolarHBondContact O-N 2.93Å; E532-V534 VanDerWaalsContact C-N 3.31Å; E532-V534 PolarHBondContact O-N 3.31Å; E532-H535 PolarHBondContact O-N 2.93Å; E532-K536 PolarHBondContact O-N 2.86Å; E532-K536 WeakPolarHBondContact OE1-CE 3.41Å; E532-K536 IonicContact OE1-NZ 2.71Å; E532-K536 PolarHBondContact OE1-NZ 2.88Å
533	G	96.5	Very high	95.4	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.7	-37	176.9	0	0	0	0	0	112.4	M506 V529 G530 N531 L537	M506-G533 WeakPolarHBondContact CB-O 3.34Å; V529-G533 VanDerWaalsContact O-CA 3.3Å; V529-G533 WeakPolarHBondContact O-CA 3.37Å; V529-G533 PolarHBondContact O-N 3.15Å; V529-G533 VanDerWaalsContact O-N 3.14Å; G530-G533 PolarHBondContact O-N 3.03Å; N531-G533 PolarHBondContact O-N 2.71Å; G533-L537 VanDerWaalsContact O-CB 3.26Å; G533-L537 WeakPolarHBondContact O-CB 3.4Å; G533-L537 PolarHBondContact O-N 2.84Å
534	V	96.5	Very high	95.1	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-69.8	-41.2	172.9	175.5	0	0	0	0	111.5	V529 G530 N531 E532 K536 L537 K538 L552 L557 A564 V565	V529-V534 HydrophobicContact CG1-CG2 4.2Å; G530-V534 PolarHBondContact O-N 3.49Å; N531-V534 PolarHBondContact O-N 3.19Å; N531-V534 VanDerWaalsContact O-N 3.17Å; E532-V534 VanDerWaalsContact C-N 3.31Å; E532-V534 PolarHBondContact O-N 3.31Å; V534-K536 VanDerWaalsContact C-N 3.3Å; V534-K536 PolarHBondContact O-N 3.01Å; V534-L537 PolarHBondContact O-N 2.96Å; V534-L537 VanDerWaalsContact O-N 3.09Å; V534-K538 PolarHBondContact O-N 2.89Å; V534-L552 HydrophobicContact CG2-CD1 4.44Å; V534-L557 HydrophobicContact CG2-CD1 4.23Å; V534-L557 HydrophobicContact CG2-CD2 3.5Å; V534-A564 HydrophobicContact CB-CB 4.47Å; V534-A564 HydrophobicContact CG1-CB 3.79Å; V534-V565 HydrophobicContact CG1-CG2 3.87Å
535	H	95.7	Very high	94.7	Very high	74 Å²	74	37.5 Å²	37.5	34%	0.343	19%	0.193	S	C	.	.	H	α-helix	trans	-58.1	-41.6	174.4	-79.6	-72.7	0	0	0	112.2	N531 E532	N531-H535 PolarHBondContact O-CD2 3.11Å; N531-H535 VanDerWaalsContact O-CD2 3.24Å; N531-H535 PolarHBondContact O-N 3.39Å; E532-H535 PolarHBondContact O-N 2.93Å
536	K	96.3	Very high	94.5	Very high	72 Å²	72	38.1 Å²	38.1	31%	0.313	20%	0.198	S	C	.	.	H	α-helix	trans	-66.7	-37.1	173.1	-72	168.9	179.1	172.9	0	112.8	H503 M506 A510 E532 V534	H503-K536 WeakPolarHBondContact O-CD 3.38Å; H503-K536 PolarHBondContact O-NZ 2.99Å; M506-K536 HydrophobicContact CB-CB 4.3Å; A510-K536 WeakPolarHBondContact CB-O 3.39Å; E532-K536 PolarHBondContact O-N 2.86Å; E532-K536 WeakPolarHBondContact OE1-CE 3.41Å; E532-K536 IonicContact OE1-NZ 2.71Å; E532-K536 PolarHBondContact OE1-NZ 2.88Å; V534-K536 VanDerWaalsContact C-N 3.3Å; V534-K536 PolarHBondContact O-N 3.01Å
537	L	95.2	Very high	94.4	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-76.4	-24.5	-177.8	-166.2	64.3	0	0	0	113.3	M506 L509 L513 L524 G533 V534 D539 G540 L541	M506-L537 HydrophobicContact SD-CD2 4.42Å; L509-L537 HydrophobicContact CB-CD1 4.15Å; L509-L537 HydrophobicContact CD2-CD1 4.01Å; L509-L537 HydrophobicContact CG-CD1 3.9Å; L513-L537 HydrophobicContact CD1-CD1 3.79Å; L524-L537 HydrophobicContact CD1-CD2 3.89Å; G533-L537 VanDerWaalsContact O-CB 3.26Å; G533-L537 WeakPolarHBondContact O-CB 3.4Å; G533-L537 PolarHBondContact O-N 2.84Å; V534-L537 PolarHBondContact O-N 2.96Å; V534-L537 VanDerWaalsContact O-N 3.09Å; L537-D539 PolarHBondContact O-N 2.81Å; L537-G540 PolarHBondContact O-N 3.31Å; L537-L541 HydrophobicContact CD2-CD1 3.92Å; L537-L541 HydrophobicContact CG-CD1 3.78Å; L537-L541 HydrophobicContact CG-CG 4.05Å; L537-L541 PolarHBondContact O-N 3.08Å
538	K	92.8	Very high	94.3	Very high	42 Å²	42	36 Å²	36	18%	0.183	19%	0.189	C	C	.	.	H	α-helix	trans	-46	-61.3	-176.3	176.3	170.6	75.4	160.5	0	112.6	V534 G540 L541 I542 E567 F568	V534-K538 PolarHBondContact O-N 2.89Å; K538-G540 VanDerWaalsContact C-N 3.25Å; K538-G540 PolarHBondContact O-N 2.83Å; K538-L541 WeakPolarHBondContact O-CB 3.44Å; K538-L541 PolarHBondContact O-N 3.36Å; K538-I542 HydrophobicContact CD-CD1 4.04Å; K538-I542 HydrophobicContact CG-CD1 3.52Å; K538-I542 HydrophobicContact CG-CG1 4.29Å; K538-I542 WeakPolarHBondContact O-CG1 3.48Å; K538-I542 PolarHBondContact O-N 3.43Å; K538-E567 HydrophobicContact CD-CB 4.14Å; K538-E567 WeakPolarHBondContact CD-OE2 3.26Å; K538-E567 IonicContact NZ-OE2 2.63Å; K538-E567 PolarHBondContact NZ-OE2 3.08Å; K538-F568 HydrophobicContact CG-CB 4.04Å
539	D	91.8	Very high	94.4	Very high	113 Å²	113	37 Å²	37	60%	0.604	19%	0.187	S	C	*	.	H	α-helix	trans	-67.4	-30.7	-170.1	-57.7	-10.5	0	0	0	111.5	L537 I542 G543	L537-D539 PolarHBondContact O-N 2.81Å; D539-I542 PolarHBondContact O-N 3.43Å; D539-G543 PolarHBondContact O-N 2.98Å
540	G	93.1	Very high	94.4	Very high	3 Å²	3	37.3 Å²	37.3	3%	0.031	19%	0.188	C	C	.	.	H	α-helix	trans	-67	-37.1	172.2	0	0	0	0	0	113.4	A510 L537 K538 N544	A510-G540 WeakPolarHBondContact O-CA 3.46Å; L537-G540 PolarHBondContact O-N 3.31Å; K538-G540 VanDerWaalsContact C-N 3.25Å; K538-G540 PolarHBondContact O-N 2.83Å; G540-N544 VanDerWaalsContact O-CB 3.29Å; G540-N544 WeakPolarHBondContact O-CB 3.48Å; G540-N544 PolarHBondContact O-N 2.87Å
541	L	92.3	Very high	94.5	Very high	11 Å²	11	36.9 Å²	36.9	6%	0.058	18%	0.184	C	C	.	.	H	α-helix	trans	-73.7	-36.4	173.8	-71.9	168.5	0	0	0	112.5	L513 L537 K538 G543 L550 F568	L513-L541 HydrophobicContact CD1-CD2 3.9Å; L513-L541 HydrophobicContact CD1-CG 4.22Å; L537-L541 HydrophobicContact CD2-CD1 3.92Å; L537-L541 HydrophobicContact CG-CD1 3.78Å; L537-L541 HydrophobicContact CG-CG 4.05Å; L537-L541 PolarHBondContact O-N 3.08Å; K538-L541 WeakPolarHBondContact O-CB 3.44Å; K538-L541 PolarHBondContact O-N 3.36Å; L541-G543 VanDerWaalsContact C-N 3.33Å; L541-L550 HydrophobicContact CD1-CD2 3.7Å; L541-L550 HydrophobicContact CD2-CD2 4.09Å; L541-F568 HydrophobicContact CD1-CD1 4.21Å; L541-F568 HydrophobicContact CD1-CD2 4.49Å; L541-F568 HydrophobicContact CD1-CE1 3.98Å; L541-F568 HydrophobicContact CD1-CE2 4.35Å; L541-F568 HydrophobicContact CD1-CG 4.48Å; L541-F568 HydrophobicContact CD1-CZ 4.1Å
542	I	91.8	Very high	94.6	Very high	29 Å²	29	35.4 Å²	35.4	15%	0.149	18%	0.176	C	C	.	.	H	α-helix	trans	-70.4	-31	174.5	-64.1	173.2	0	0	0	110.9	K538 D539 R545 F568 E571	K538-I542 HydrophobicContact CD-CD1 4.04Å; K538-I542 HydrophobicContact CG-CD1 3.52Å; K538-I542 HydrophobicContact CG-CG1 4.29Å; K538-I542 WeakPolarHBondContact O-CG1 3.48Å; K538-I542 PolarHBondContact O-N 3.43Å; D539-I542 PolarHBondContact O-N 3.43Å; I542-R545 PolarHBondContact O-NH1 2.84Å; I542-R545 PolarHBondContact O-NH2 3.31Å; I542-F568 HydrophobicContact CD1-CB 4.13Å; I542-F568 HydrophobicContact CG1-CB 3.93Å; I542-E571 HydrophobicContact CD1-CB 4.12Å; I542-E571 HydrophobicContact CG1-CB 4.21Å; I542-E571 HydrophobicContact CG2-CB 4.25Å
543	G	90.1	Very high	94.6	Very high	36 Å²	36	31 Å²	31	37%	0.371	16%	0.155	S	C	.	.	H	α-helix	trans	-75.2	-38.2	172.4	0	0	0	0	0	114.2	D539 L541 R545	D539-G543 PolarHBondContact O-N 2.98Å; L541-G543 VanDerWaalsContact C-N 3.33Å; G543-R545 PolarHBondContact O-NH1 3.31Å
544	N	91.6	Very high	94.7	Very high	9 Å²	9	32.4 Å²	32.4	5%	0.048	17%	0.165	C	C	.	.			trans	-66.1	151.6	-176.8	176.4	-89.1	0	0	0	113.5	L513 T516 G540 S546 V547	L513-N544 HydrophobicContact CB-CB 4.22Å; L513-N544 PolarHBondContact O-ND2 2.86Å; T516-N544 PolarHBondContact O-ND2 3.01Å; G540-N544 VanDerWaalsContact O-CB 3.29Å; G540-N544 WeakPolarHBondContact O-CB 3.48Å; G540-N544 PolarHBondContact O-N 2.87Å; N544-S546 PolarHBondContact ND2-OG 3.27Å; N544-S546 PolarHBondContact OD1-N 2.87Å; N544-S546 PolarHBondContact OD1-OG 2.94Å; N544-V547 WeakPolarHBondContact OD1-CG2 3.34Å; N544-V547 PolarHBondContact OD1-N 3Å
545	R	89.3	Confident	94.7	Very high	124 Å²	124	32.3 Å²	32.3	47%	0.468	17%	0.165	S	C	.	.	S	Bend	trans	-128	4.8	179.7	-61.3	-70.4	172.4	-97.7	-0.1	114	I542 G543 R574	I542-R545 PolarHBondContact O-NH1 2.84Å; I542-R545 PolarHBondContact O-NH2 3.31Å; G543-R545 PolarHBondContact O-NH1 3.31Å; R545-R574 WeakPolarHBondContact O-CD 3.49Å; R545-R574 PolarHBondContact O-NH1 3.46Å
546	S	93.7	Very high	94.7	Very high	13 Å²	13	35.9 Å²	35.9	9%	0.091	18%	0.179	C	C	.	.	S	Bend	trans	-107.2	-36.1	-175.1	67.7	0	0	0	0	113.5	T516 Q517 L519 E520 N544 L548	T516-S546 PolarHBondContact O-OG 3.42Å; Q517-S546 VanDerWaalsContact O-CB 3.26Å; Q517-S546 WeakPolarHBondContact O-CB 3.4Å; L519-S546 CarbonylContact O-C 3.19Å; L519-S546 VanDerWaalsContact O-CB 3.23Å; L519-S546 WeakPolarHBondContact O-CB 3.3Å; L519-S546 PolarHBondContact O-OG 2.88Å; E520-S546 WeakPolarHBondContact CA-O 3.36Å; N544-S546 PolarHBondContact ND2-OG 3.27Å; N544-S546 PolarHBondContact OD1-N 2.87Å; N544-S546 PolarHBondContact OD1-OG 2.94Å; S546-L548 WeakPolarHBondContact O-CG 3.38Å; S546-L548 PolarHBondContact O-N 2.92Å
547	V	95.3	Very high	94.8	Very high	6 Å²	6	32.5 Å²	32.5	4%	0.036	17%	0.165	C	C	.	.			trans	-70.9	115.1	-173	178.4	0	0	0	0	110.4	L513 L519 N544 L550 L575	L513-V547 HydrophobicContact CD2-CG2 3.95Å; L519-V547 WeakPolarHBondContact O-CA 3.47Å; L519-V547 WeakPolarHBondContact O-CG2 3.3Å; L519-V547 PolarHBondContact O-N 2.8Å; N544-V547 WeakPolarHBondContact OD1-CG2 3.34Å; N544-V547 PolarHBondContact OD1-N 3Å; V547-L550 HydrophobicContact CG1-CB 4.5Å; V547-L575 HydrophobicContact CG1-CD1 4.08Å
548	L	96.7	Very high	94.8	Very high	36 Å²	36	34.2 Å²	34.2	19%	0.188	18%	0.177	C	C	.	.			trans	-102.6	-21.4	177.4	-54.3	-176.3	0	0	0	112	E520 S546 R574 L576 R577	E520-L548 HydrophobicContact CB-CG 4.38Å; E520-L548 HydrophobicContact CG-CD1 4.1Å; E520-L548 HydrophobicContact CG-CG 4.25Å; E520-L548 PolarHBondContact O-N 2.85Å; S546-L548 WeakPolarHBondContact O-CG 3.38Å; S546-L548 PolarHBondContact O-N 2.92Å; L548-R574 HydrophobicContact CD2-CB 4.42Å; L548-R574 WeakPolarHBondContact CD2-O 3.3Å; L548-L576 HydrophobicContact CB-CD1 4.23Å; L548-L576 HydrophobicContact CB-CG 4.22Å; L548-L576 HydrophobicContact CD1-CD1 4.2Å; L548-L576 HydrophobicContact CD2-CD1 4.38Å; L548-L576 HydrophobicContact CD2-CG 4.33Å; L548-L576 PolarHBondContact O-N 3.49Å; L548-R577 PolarHBondContact O-N 3.16Å
549	R	97.9	Very high	94.9	Very high	66 Å²	66	34 Å²	34	25%	0.249	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	113.9	-170.4	-60.6	177.6	-68.2	-86.7	3.8	110.2	E520 T521 L522 R577	E520-R549 PolarHBondContact O-N 2.79Å; E520-R549 IonicContact OE2-CZ 3.73Å; E520-R549 IonicContact OE2-NH1 2.9Å; E520-R549 PolarHBondContact OE2-NH1 2.93Å; E520-R549 IonicContact OE2-NH2 2.85Å; E520-R549 PolarHBondContact OE2-NH2 2.55Å; T521-R549 WeakPolarHBondContact CA-O 3.2Å; T521-R549 HydrophobicContact CG2-CB 3.99Å; T521-R549 PolarHBondContact OG1-NE 3.43Å; T521-R549 PolarHBondContact OG1-NH2 2.85Å; L522-R549 PolarHBondContact N-O 3.03Å; R549-R577 WeakPolarHBondContact CA-O 3.31Å; R549-R577 HydrophobicContact CG-CB 4.23Å; R549-R577 HydrophobicContact CG-CG 4.39Å
550	L	97.8	Very high	95.1	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.026	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126	-178.3	179.5	60	0	0	0	111.5	L522 L541 V547 L552 F568 L575 R577 L578 D579	L522-L550 HydrophobicContact CB-CD1 4.26Å; L522-L550 HydrophobicContact CD2-CD1 4.06Å; L522-L550 HydrophobicContact CG-CD1 4.08Å; L522-L550 CarbonylContact O-C 3.36Å; L522-L550 WeakPolarHBondContact O-CA 3.41Å; L541-L550 HydrophobicContact CD1-CD2 3.7Å; L541-L550 HydrophobicContact CD2-CD2 4.09Å; V547-L550 HydrophobicContact CG1-CB 4.5Å; L550-L552 HydrophobicContact CD1-CG 4.46Å; L550-L552 HydrophobicContact CD2-CD1 4.03Å; L550-L552 HydrophobicContact CD2-CG 4.46Å; L550-L552 HydrophobicContact CG-CD1 4.29Å; L550-L552 HydrophobicContact CG-CG 4.19Å; L550-F568 HydrophobicContact CD2-CE2 4.45Å; L550-F568 HydrophobicContact CD2-CZ 3.87Å; L550-L575 HydrophobicContact CB-CD1 3.87Å; L550-L575 HydrophobicContact CB-CD2 4.26Å; L550-R577 PolarHBondContact N-O 3.15Å; L550-L578 HydrophobicContact CB-CD1 3.91Å; L550-L578 HydrophobicContact CD2-CD1 3.95Å; L550-L578 HydrophobicContact CG-CD1 3.89Å; L550-L578 WeakPolarHBondContact O-CA 3.38Å; L550-D579 PolarHBondContact O-N 3.1Å
551	G	97.9	Very high	95.3	Very high	8 Å²	8	34 Å²	34	8%	0.082	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	118.3	175.5	0	0	0	0	0	112.2	L522 L524	L522-G551 PolarHBondContact O-N 2.84Å; L524-G551 PolarHBondContact N-O 2.77Å
552	L	97.8	Very high	95.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.173	C	C	.	.			trans	-130.8	22.6	176.6	-72.2	173.2	0	0	0	111.9	L524 V534 L550 T555 L557 L578 D579 L580 N583	L524-L552 HydrophobicContact CB-CD2 4.16Å; L524-L552 HydrophobicContact CD1-CD2 4.2Å; V534-L552 HydrophobicContact CG2-CD1 4.44Å; L550-L552 HydrophobicContact CD1-CG 4.46Å; L550-L552 HydrophobicContact CD2-CD1 4.03Å; L550-L552 HydrophobicContact CD2-CG 4.46Å; L550-L552 HydrophobicContact CG-CD1 4.29Å; L550-L552 HydrophobicContact CG-CG 4.19Å; L552-T555 HydrophobicContact CB-CG2 4.4Å; L552-T555 HydrophobicContact CD2-CG2 4.22Å; L552-T555 WeakPolarHBondContact O-CB 3.42Å; L552-T555 WeakPolarHBondContact O-CG2 3.38Å; L552-T555 PolarHBondContact O-OG1 3.09Å; L552-L557 HydrophobicContact CB-CD1 4.41Å; L552-L578 HydrophobicContact CD1-CD1 4.35Å; L552-D579 CarbonylContact C-O 3.28Å; L552-D579 VanDerWaalsContact C-O 3.28Å; L552-D579 WeakPolarHBondContact CA-O 3.33Å; L552-D579 PolarHBondContact N-O 2.86Å; L552-L580 HydrophobicContact CB-CD2 4.01Å; L552-L580 HydrophobicContact CD1-CD2 4.37Å; L552-N583 PolarHBondContact O-ND2 3.48Å
553	A	97.6	Very high	95.7	Very high	1 Å²	1	35 Å²	35	1%	0.008	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	142.6	177.2	0	0	0	0	0	112.4	W497 G525 H526 T555 D579 R581	W497-A553 HydrophobicContact CH2-CB 4.08Å; W497-A553 HydrophobicContact CZ3-CB 4.08Å; G525-A553 CarbonylContact C-O 3.43Å; G525-A553 WeakPolarHBondContact CA-O 3.49Å; H526-A553 PolarHBondContact N-O 3.11Å; A553-T555 PolarHBondContact O-N 2.94Å; A553-D579 PolarHBondContact N-O 3.23Å; A553-R581 CarbonylContact C-O 3.18Å; A553-R581 WeakPolarHBondContact CA-O 3.47Å; A553-R581 HydrophobicContact CB-CB 4.09Å; A553-R581 WeakPolarHBondContact CB-O 3.48Å
554	S	97.1	Very high	95.9	Very high	30 Å²	30	33.2 Å²	33.2	21%	0.21	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	36.1	-177.7	-171.9	0	0	0	0	114	H526 R581	H526-S554 WeakPolarHBondContact CA-O 3.46Å; S554-R581 PolarHBondContact N-O 2.92Å
555	T	97.6	Very high	96.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-95.7	16.4	-178	57.7	0	0	0	0	115.2	L524 N527 V529 G530 L552 A553 L557 N583	L524-T555 WeakPolarHBondContact O-CG2 3.5Å; N527-T555 CarbonylContact O-C 3.31Å; N527-T555 WeakPolarHBondContact O-CA 3.19Å; V529-T555 HydrophobicContact CB-CG2 4.48Å; V529-T555 HydrophobicContact CG2-CG2 3.92Å; G530-T555 PolarHBondContact N-O 3.47Å; L552-T555 HydrophobicContact CB-CG2 4.4Å; L552-T555 HydrophobicContact CD2-CG2 4.22Å; L552-T555 WeakPolarHBondContact O-CB 3.42Å; L552-T555 WeakPolarHBondContact O-CG2 3.38Å; L552-T555 PolarHBondContact O-OG1 3.09Å; A553-T555 PolarHBondContact O-N 2.94Å; T555-L557 VanDerWaalsContact C-N 3.29Å; T555-L557 PolarHBondContact O-N 2.98Å; T555-L557 WeakPolarHBondContact OG1-CG 3.45Å; T555-N583 PolarHBondContact N-OD1 3.45Å
556	K	96.4	Very high	96.5	Very high	148 Å²	148	27.2 Å²	27.2	64%	0.643	14%	0.144	S	C	*	.			trans	60.8	31.8	-177.8	-56.7	177.5	178.5	169.8	0	113.6	S528 N583	S528-K556 WeakPolarHBondContact OG-CE 3.32Å; S528-K556 PolarHBondContact OG-NZ 2.84Å; K556-N583 PolarHBondContact N-OD1 3.02Å; K556-N583 VanDerWaalsContact N-OD1 3.16Å
557	L	96.5	Very high	96.5	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	16%	0.156	C	C	.	.			trans	-74.7	143.1	174.2	-53.1	179.7	0	0	0	111.1	G530 V534 L552 T555 V565 L580 N583 E584	G530-L557 VanDerWaalsContact O-CD2 3.3Å; G530-L557 WeakPolarHBondContact O-CD2 3.44Å; V534-L557 HydrophobicContact CG2-CD1 4.23Å; V534-L557 HydrophobicContact CG2-CD2 3.5Å; L552-L557 HydrophobicContact CB-CD1 4.41Å; T555-L557 VanDerWaalsContact C-N 3.29Å; T555-L557 PolarHBondContact O-N 2.98Å; T555-L557 WeakPolarHBondContact OG1-CG 3.45Å; L557-V565 HydrophobicContact CD1-CG2 4.31Å; L557-L580 HydrophobicContact CD1-CD2 4.13Å; L557-N583 HydrophobicContact CB-CB 4.07Å; L557-N583 PolarHBondContact N-OD1 3.45Å; L557-E584 WeakPolarHBondContact O-CA 3.41Å; L557-E584 PolarHBondContact O-N 3.45Å
558	S	96.1	Very high	96.4	Very high	37 Å²	37	29.9 Å²	29.9	26%	0.259	15%	0.154	S	C	.	.			trans	-109.3	-166.2	171.2	72.8	0	0	0	0	110.8	N531 E560 G561 A562	N531-S558 VanDerWaalsContact CG-OG 3.23Å; N531-S558 PolarHBondContact ND2-OG 3.2Å; N531-S558 PolarHBondContact OD1-N 3.09Å; N531-S558 PolarHBondContact OD1-OG 2.92Å; S558-E560 VanDerWaalsContact C-N 3.29Å; S558-E560 PolarHBondContact O-N 3.27Å; S558-E560 PolarHBondContact OG-N 3.29Å; S558-G561 PolarHBondContact O-N 3.22Å; S558-A562 WeakPolarHBondContact O-CB 3.23Å; S558-A562 PolarHBondContact O-N 2.89Å
559	C	95.7	Very high	96.2	Very high	38 Å²	38	28.3 Å²	28.3	26%	0.257	15%	0.146	S	C	.	.	H	α-helix	trans	-62	-33.8	171.5	-65.8	0	0	0	0	113.2	A562 V563 K586	C559-A562 PolarHBondContact O-N 2.78Å; C559-V563 WeakPolarHBondContact O-CG2 3.34Å; C559-V563 PolarHBondContact O-N 3.02Å; C559-K586 PolarHBondContact SG-N 3.28Å
560	E	96	Very high	96	Very high	116 Å²	116	27.2 Å²	27.2	54%	0.542	15%	0.151	S	C	.	.	H	α-helix	trans	-65.1	-49.7	176.1	175.8	-176	-133.4	0	0	110.8	N531 S558 A562 V563 A564	N531-E560 HydrophobicContact CB-CB 4.45Å; N531-E560 HydrophobicContact CB-CG 4.15Å; N531-E560 WeakPolarHBondContact CB-OE2 3.34Å; N531-E560 PolarHBondContact ND2-OE2 3.1Å; S558-E560 VanDerWaalsContact C-N 3.29Å; S558-E560 PolarHBondContact O-N 3.27Å; S558-E560 PolarHBondContact OG-N 3.29Å; E560-A562 PolarHBondContact O-N 3.34Å; E560-V563 WeakPolarHBondContact O-CA 3.38Å; E560-V563 WeakPolarHBondContact O-CB 3.49Å; E560-V563 PolarHBondContact O-N 2.89Å; E560-A564 PolarHBondContact O-N 3.23Å
561	G	95.8	Very high	95.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-57.9	-37.1	172.8	0	0	0	0	0	112.4	N531 S558 V563 A564 V565	N531-G561 WeakPolarHBondContact OD1-CA 3.1Å; N531-G561 PolarHBondContact OD1-N 3.47Å; S558-G561 PolarHBondContact O-N 3.22Å; G561-V563 VanDerWaalsContact C-N 3.34Å; G561-V563 PolarHBondContact O-N 2.8Å; G561-A564 PolarHBondContact O-N 3.18Å; G561-V565 VanDerWaalsContact O-CG2 3.3Å; G561-V565 WeakPolarHBondContact O-CG2 2.97Å; G561-V565 PolarHBondContact O-N 2.96Å
562	A	96.8	Very high	95	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-68.3	-27.8	174.3	0	0	0	0	0	113.9	S558 C559 E560 A566 I585 L593	S558-A562 WeakPolarHBondContact O-CB 3.23Å; S558-A562 PolarHBondContact O-N 2.89Å; C559-A562 PolarHBondContact O-N 2.78Å; E560-A562 PolarHBondContact O-N 3.34Å; A562-A566 WeakPolarHBondContact O-CB 3.19Å; A562-A566 PolarHBondContact O-N 3.01Å; A562-I585 HydrophobicContact CB-CD1 4.03Å; A562-I585 HydrophobicContact CB-CG1 4.08Å; A562-I585 HydrophobicContact CB-CG2 3.82Å; A562-L593 HydrophobicContact CB-CD1 4.4Å
563	V	96.4	Very high	94	Very high	60 Å²	60	36.4 Å²	36.4	36%	0.364	20%	0.199	S	C	.	.	H	α-helix	trans	-69.7	-46	169.5	172.2	0	0	0	0	110.1	C559 E560 G561 V565 A566 E567 A592	C559-V563 WeakPolarHBondContact O-CG2 3.34Å; C559-V563 PolarHBondContact O-N 3.02Å; E560-V563 WeakPolarHBondContact O-CA 3.38Å; E560-V563 WeakPolarHBondContact O-CB 3.49Å; E560-V563 PolarHBondContact O-N 2.89Å; G561-V563 VanDerWaalsContact C-N 3.34Å; G561-V563 PolarHBondContact O-N 2.8Å; V563-V565 VanDerWaalsContact C-N 3.26Å; V563-V565 PolarHBondContact O-N 3.02Å; V563-A566 WeakPolarHBondContact O-CA 3.45Å; V563-A566 WeakPolarHBondContact O-CB 3.2Å; V563-A566 PolarHBondContact O-N 3.35Å; V563-E567 PolarHBondContact O-N 3.12Å; V563-A592 HydrophobicContact CB-CB 4.47Å; V563-A592 HydrophobicContact CG2-CB 3.76Å
564	A	95.3	Very high	93.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.2	-35.5	174.8	0	0	0	0	0	112.7	V534 E560 G561 F568	V534-A564 HydrophobicContact CB-CB 4.47Å; V534-A564 HydrophobicContact CG1-CB 3.79Å; E560-A564 PolarHBondContact O-N 3.23Å; G561-A564 PolarHBondContact O-N 3.18Å; A564-F568 PolarHBondContact O-N 3.46Å
565	V	96.5	Very high	93.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.2	-46.9	169.2	170.8	0	0	0	0	111.3	V534 L557 G561 V563 E567 F568 I569 L578 L580 L593	V534-V565 HydrophobicContact CG1-CG2 3.87Å; L557-V565 HydrophobicContact CD1-CG2 4.31Å; G561-V565 VanDerWaalsContact O-CG2 3.3Å; G561-V565 WeakPolarHBondContact O-CG2 2.97Å; G561-V565 PolarHBondContact O-N 2.96Å; V563-V565 VanDerWaalsContact C-N 3.26Å; V563-V565 PolarHBondContact O-N 3.02Å; V565-E567 VanDerWaalsContact C-N 3.34Å; V565-E567 PolarHBondContact O-N 3.47Å; V565-F568 HydrophobicContact CB-CE1 4.04Å; V565-F568 HydrophobicContact CG1-CE1 3.95Å; V565-F568 HydrophobicContact CG1-CZ 4.07Å; V565-F568 HydrophobicContact CG2-CE1 3.98Å; V565-F568 WeakPolarHBondContact O-CD1 3.48Å; V565-F568 PolarHBondContact O-N 3.15Å; V565-I569 HydrophobicContact CG1-CD1 3.59Å; V565-I569 HydrophobicContact CG1-CG1 4.21Å; V565-I569 VanDerWaalsContact O-CG1 3.31Å; V565-I569 WeakPolarHBondContact O-CG1 3.4Å; V565-I569 PolarHBondContact O-N 2.82Å; V565-L578 HydrophobicContact CG1-CD2 3.65Å; V565-L580 HydrophobicContact CG1-CD1 4.01Å; V565-L580 HydrophobicContact CG1-CD2 4.35Å; V565-L580 HydrophobicContact CG2-CD2 4.21Å; V565-L593 HydrophobicContact CB-CD2 4.45Å; V565-L593 HydrophobicContact CG1-CD2 3.83Å
566	A	96.2	Very high	93.4	Very high	7 Å²	7	44.5 Å²	44.5	6%	0.058	23%	0.23	C	C	.	.	H	α-helix	trans	-62.1	-38.3	-179.5	0	0	0	0	0	112.9	A562 V563 I569 A570 A592 L593 A596	A562-A566 WeakPolarHBondContact O-CB 3.19Å; A562-A566 PolarHBondContact O-N 3.01Å; V563-A566 WeakPolarHBondContact O-CA 3.45Å; V563-A566 WeakPolarHBondContact O-CB 3.2Å; V563-A566 PolarHBondContact O-N 3.35Å; A566-I569 PolarHBondContact O-N 3.39Å; A566-A570 PolarHBondContact O-N 3.25Å; A566-A592 HydrophobicContact CB-CB 3.81Å; A566-A592 WeakPolarHBondContact CB-O 3.47Å; A566-L593 HydrophobicContact CB-CD2 4.26Å; A566-A596 HydrophobicContact CB-CB 3.94Å; A566-A596 VanDerWaalsContact O-CB 3.25Å; A566-A596 WeakPolarHBondContact O-CB 3.41Å
567	E	93.4	Very high	93.4	Very high	74 Å²	74	44.1 Å²	44.1	35%	0.346	22%	0.224	S	C	.	.	H	α-helix	trans	-55.2	-55.4	171.9	-72.4	176.6	-170.2	0	0	111.1	K538 V563 V565 I569 A570 E571	K538-E567 HydrophobicContact CD-CB 4.14Å; K538-E567 WeakPolarHBondContact CD-OE2 3.26Å; K538-E567 IonicContact NZ-OE2 2.63Å; K538-E567 PolarHBondContact NZ-OE2 3.08Å; V563-E567 PolarHBondContact O-N 3.12Å; V565-E567 VanDerWaalsContact C-N 3.34Å; V565-E567 PolarHBondContact O-N 3.47Å; E567-I569 VanDerWaalsContact C-N 3.31Å; E567-I569 PolarHBondContact O-N 3.3Å; E567-A570 PolarHBondContact O-N 2.88Å; E567-E571 PolarHBondContact O-N 3.02Å
568	F	92.5	Very high	93.5	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-68.4	-29.7	-178.5	89.5	-117	0	0	0	112.6	K538 L541 I542 L550 A564 V565 A570 E571 S572 L575 L578	K538-F568 HydrophobicContact CG-CB 4.04Å; L541-F568 HydrophobicContact CD1-CD1 4.21Å; L541-F568 HydrophobicContact CD1-CD2 4.49Å; L541-F568 HydrophobicContact CD1-CE1 3.98Å; L541-F568 HydrophobicContact CD1-CE2 4.35Å; L541-F568 HydrophobicContact CD1-CG 4.48Å; L541-F568 HydrophobicContact CD1-CZ 4.1Å; I542-F568 HydrophobicContact CD1-CB 4.13Å; I542-F568 HydrophobicContact CG1-CB 3.93Å; L550-F568 HydrophobicContact CD2-CE2 4.45Å; L550-F568 HydrophobicContact CD2-CZ 3.87Å; A564-F568 PolarHBondContact O-N 3.46Å; V565-F568 HydrophobicContact CB-CE1 4.04Å; V565-F568 HydrophobicContact CG1-CE1 3.95Å; V565-F568 HydrophobicContact CG1-CZ 4.07Å; V565-F568 HydrophobicContact CG2-CE1 3.98Å; V565-F568 WeakPolarHBondContact O-CD1 3.48Å; V565-F568 PolarHBondContact O-N 3.15Å; F568-A570 VanDerWaalsContact C-N 3.34Å; F568-E571 PolarHBondContact O-N 3.09Å; F568-S572 WeakPolarHBondContact O-CA 3.3Å; F568-S572 WeakPolarHBondContact O-CB 3.41Å; F568-S572 PolarHBondContact O-N 2.84Å; F568-L575 HydrophobicContact CE2-CD2 3.81Å; F568-L575 HydrophobicContact CZ-CD2 4.43Å; F568-L578 HydrophobicContact CZ-CD1 4.47Å; F568-L578 HydrophobicContact CZ-CD2 4.24Å
569	I	94	Very high	93.5	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.015	22%	0.216	C	C	.	.	H	α-helix	trans	-64	-40.8	173.8	-70.5	168.6	0	0	0	110.6	V565 A566 E567 E571 L578 L593 A596 N600 L603	V565-I569 HydrophobicContact CG1-CD1 3.59Å; V565-I569 HydrophobicContact CG1-CG1 4.21Å; V565-I569 VanDerWaalsContact O-CG1 3.31Å; V565-I569 WeakPolarHBondContact O-CG1 3.4Å; V565-I569 PolarHBondContact O-N 2.82Å; A566-I569 PolarHBondContact O-N 3.39Å; E567-I569 VanDerWaalsContact C-N 3.31Å; E567-I569 PolarHBondContact O-N 3.3Å; I569-E571 VanDerWaalsContact C-N 3.28Å; I569-E571 PolarHBondContact O-N 3.41Å; I569-L578 HydrophobicContact CD1-CD2 3.65Å; I569-L578 HydrophobicContact CG1-CD2 4.19Å; I569-L593 HydrophobicContact CD1-CD2 3.79Å; I569-A596 HydrophobicContact CB-CB 4.21Å; I569-A596 HydrophobicContact CG2-CB 4.04Å; I569-N600 HydrophobicContact CG2-CB 3.81Å; I569-N600 WeakPolarHBondContact O-CB 3.4Å; I569-N600 PolarHBondContact O-ND2 3.05Å; I569-L603 HydrophobicContact CD1-CD2 4.09Å; I569-L603 HydrophobicContact CG1-CD2 4.43Å; I569-L603 HydrophobicContact CG2-CD2 4.24Å
570	A	92.7	Very high	93.6	Very high	42 Å²	42	41.4 Å²	41.4	35%	0.347	20%	0.204	S	C	.	.	H	α-helix	trans	-63.6	-34.4	178.9	0	0	0	0	0	112.3	A566 E567 F568 A596	A566-A570 PolarHBondContact O-N 3.25Å; E567-A570 PolarHBondContact O-N 2.88Å; F568-A570 VanDerWaalsContact C-N 3.34Å; A570-A596 HydrophobicContact CB-CB 4.4Å
571	E	89.3	Confident	93.7	Very high	121 Å²	121	38.9 Å²	38.9	57%	0.565	19%	0.189	S	C	*	.	H	α-helix	trans	-92.3	-27.1	-179.5	-67.1	-173.1	-132	0	0	114.7	I542 E567 F568 I569 P573	I542-E571 HydrophobicContact CD1-CB 4.12Å; I542-E571 HydrophobicContact CG1-CB 4.21Å; I542-E571 HydrophobicContact CG2-CB 4.25Å; E567-E571 PolarHBondContact O-N 3.02Å; F568-E571 PolarHBondContact O-N 3.09Å; I569-E571 VanDerWaalsContact C-N 3.28Å; I569-E571 PolarHBondContact O-N 3.41Å; E571-P573 VanDerWaalsContact O-CD 3.31Å; E571-P573 WeakPolarHBondContact O-CD 3.22Å
572	S	86.3	Confident	93.6	Very high	10 Å²	10	44.2 Å²	44.2	7%	0.07	22%	0.215	C	C	.	.			trans	-75.6	117.3	-175.1	-174.7	0	0	0	0	111.8	F568 R574 N600 S602	F568-S572 WeakPolarHBondContact O-CA 3.3Å; F568-S572 WeakPolarHBondContact O-CB 3.41Å; F568-S572 PolarHBondContact O-N 2.84Å; S572-R574 VanDerWaalsContact C-N 3.35Å; S572-R574 PolarHBondContact O-N 2.78Å; S572-N600 PolarHBondContact O-ND2 3.41Å; S572-N600 VanDerWaalsContact O-ND2 3.08Å; S572-S602 PolarHBondContact O-OG 3Å
573	P	77.1	Confident	93.6	Very high	76 Å²	76	44.4 Å²	44.4	49%	0.494	22%	0.215	S	C	.	.	S	Bend	trans	-88.3	0.5	-174	36	-36.5	0	0	0	113.7	E571	E571-P573 VanDerWaalsContact O-CD 3.31Å; E571-P573 WeakPolarHBondContact O-CD 3.22Å
574	R	87.9	Confident	93.6	Very high	137 Å²	137	45.9 Å²	45.9	52%	0.517	22%	0.219	S	C	.	.	S	Bend	trans	-134.7	-15	-166.8	-81.1	-171.5	170.6	-158.4	-7.7	116.4	R545 L548 S572 L576	R545-R574 WeakPolarHBondContact O-CD 3.49Å; R545-R574 PolarHBondContact O-NH1 3.46Å; L548-R574 HydrophobicContact CD2-CB 4.42Å; L548-R574 WeakPolarHBondContact CD2-O 3.3Å; S572-R574 VanDerWaalsContact C-N 3.35Å; S572-R574 PolarHBondContact O-N 2.78Å; R574-L576 WeakPolarHBondContact O-CG 3.38Å; R574-L576 PolarHBondContact O-N 2.82Å
575	L	94.1	Very high	93.6	Very high	7 Å²	7	46.3 Å²	46.3	4%	0.037	22%	0.221	C	C	.	.			trans	-67	124.1	177.8	-166.2	70.7	0	0	0	109.7	V547 L550 F568 L578 S602 L603	V547-L575 HydrophobicContact CG1-CD1 4.08Å; L550-L575 HydrophobicContact CB-CD1 3.87Å; L550-L575 HydrophobicContact CB-CD2 4.26Å; F568-L575 HydrophobicContact CE2-CD2 3.81Å; F568-L575 HydrophobicContact CZ-CD2 4.43Å; L575-L578 HydrophobicContact CD2-CB 3.99Å; L575-L578 HydrophobicContact CD2-CD1 4.33Å; L575-L578 HydrophobicContact CD2-CD2 4.49Å; L575-S602 CarbonylContact O-C 3.15Å; L575-S602 VanDerWaalsContact O-C 3.31Å; L575-S602 PolarHBondContact O-OG 3.03Å; L575-L603 HydrophobicContact CB-CD1 4.42Å; L575-L603 HydrophobicContact CD2-CD1 4.18Å; L575-L603 HydrophobicContact CG-CD1 4.05Å; L575-L603 WeakPolarHBondContact O-CA 3.42Å; L575-L603 PolarHBondContact O-N 2.94Å
576	L	95.9	Very high	93.5	Very high	57 Å²	57	49.5 Å²	49.5	30%	0.298	24%	0.235	S	C	.	.			trans	-103.9	-33.3	-176.1	-54.8	-176.2	0	0	0	112.2	L548 R574 S602 L604 R605	L548-L576 HydrophobicContact CB-CD1 4.23Å; L548-L576 HydrophobicContact CB-CG 4.22Å; L548-L576 HydrophobicContact CD1-CD1 4.2Å; L548-L576 HydrophobicContact CD2-CD1 4.38Å; L548-L576 HydrophobicContact CD2-CG 4.33Å; L548-L576 PolarHBondContact O-N 3.49Å; R574-L576 WeakPolarHBondContact O-CG 3.38Å; R574-L576 PolarHBondContact O-N 2.82Å; L576-S602 WeakPolarHBondContact CD2-O 3.45Å; L576-L604 HydrophobicContact CB-CD1 4.43Å; L576-L604 HydrophobicContact CB-CG 4.33Å; L576-L604 HydrophobicContact CD2-CD1 4.35Å; L576-L604 HydrophobicContact CD2-CG 4.28Å; L576-L604 PolarHBondContact O-N 2.84Å; L576-R605 PolarHBondContact O-N 2.94Å; L576-R605 VanDerWaalsContact O-N 3.09Å
577	R	97.3	Very high	93.4	Very high	140 Å²	140	49.6 Å²	49.6	53%	0.528	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	133.5	178.2	-52.2	-172.4	-179.5	160.7	1.2	111	L548 R549 L550 R605	L548-R577 PolarHBondContact O-N 3.16Å; R549-R577 WeakPolarHBondContact CA-O 3.31Å; R549-R577 HydrophobicContact CG-CB 4.23Å; R549-R577 HydrophobicContact CG-CG 4.39Å; L550-R577 PolarHBondContact N-O 3.15Å; R577-R605 WeakPolarHBondContact CA-O 3.41Å; R577-R605 HydrophobicContact CG-CB 4.23Å
578	L	97.4	Very high	93.4	Very high	2 Å²	2	48 Å²	48	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	138	174.2	177.2	63	0	0	0	109.7	L550 L552 V565 F568 I569 L575 L580 L603 R605 L606 D607	L550-L578 HydrophobicContact CB-CD1 3.91Å; L550-L578 HydrophobicContact CD2-CD1 3.95Å; L550-L578 HydrophobicContact CG-CD1 3.89Å; L550-L578 WeakPolarHBondContact O-CA 3.38Å; L552-L578 HydrophobicContact CD1-CD1 4.35Å; V565-L578 HydrophobicContact CG1-CD2 3.65Å; F568-L578 HydrophobicContact CZ-CD1 4.47Å; F568-L578 HydrophobicContact CZ-CD2 4.24Å; I569-L578 HydrophobicContact CD1-CD2 3.65Å; I569-L578 HydrophobicContact CG1-CD2 4.19Å; L575-L578 HydrophobicContact CD2-CB 3.99Å; L575-L578 HydrophobicContact CD2-CD1 4.33Å; L575-L578 HydrophobicContact CD2-CD2 4.49Å; L578-L580 HydrophobicContact CD1-CD2 4.18Å; L578-L580 HydrophobicContact CD2-CD1 4.21Å; L578-L580 HydrophobicContact CD2-CD2 4.21Å; L578-L580 HydrophobicContact CD2-CG 4.16Å; L578-L580 HydrophobicContact CG-CD2 4.15Å; L578-L580 HydrophobicContact CG-CG 4.08Å; L578-L603 HydrophobicContact CB-CD1 3.97Å; L578-L603 HydrophobicContact CB-CD2 4.44Å; L578-R605 PolarHBondContact N-O 2.99Å; L578-L606 HydrophobicContact CB-CD1 3.97Å; L578-L606 HydrophobicContact CD2-CD1 3.91Å; L578-L606 HydrophobicContact CG-CD1 3.9Å; L578-L606 CarbonylContact O-C 3.14Å; L578-L606 WeakPolarHBondContact O-CA 3.46Å; L578-D607 PolarHBondContact O-N 3.29Å
579	D	97.8	Very high	93.6	Very high	15 Å²	15	48 Å²	48	8%	0.08	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	121.2	176.6	-176.6	14.4	0	0	0	111.5	L550 L552 A553 R581 D607	L550-D579 PolarHBondContact O-N 3.1Å; L552-D579 CarbonylContact C-O 3.28Å; L552-D579 VanDerWaalsContact C-O 3.28Å; L552-D579 WeakPolarHBondContact CA-O 3.33Å; L552-D579 PolarHBondContact N-O 2.86Å; A553-D579 PolarHBondContact N-O 3.23Å; D579-R581 WeakPolarHBondContact OD1-CB 3.46Å; D579-R581 VanDerWaalsContact OD1-CG 3.3Å; D579-R581 WeakPolarHBondContact OD1-CG 3.48Å; D579-R581 IonicContact OD1-CZ 3.23Å; D579-R581 PolarHBondContact OD1-N 3.25Å; D579-R581 VanDerWaalsContact OD1-N 3.14Å; D579-R581 IonicContact OD1-NE 3.77Å; D579-R581 PolarHBondContact OD1-NE 3.29Å; D579-R581 IonicContact OD1-NH2 2.74Å; D579-R581 IonicContact OD2-CZ 3.73Å; D579-R581 IonicContact OD2-NE 2.7Å; D579-R581 PolarHBondContact OD2-NE 3.33Å; D579-R581 IonicContact OD2-NH2 3.51Å; D579-R581 PolarHBondContact OD2-NH2 2.79Å; D579-D607 HydrophobicContact CB-CB 4.2Å; D579-D607 WeakPolarHBondContact OD1-CB 3.4Å
580	L	97.3	Very high	93.7	Very high	2 Å²	2	48 Å²	48	1%	0.01	24%	0.238	C	C	.	.			trans	-123	13.9	-178.8	-59.6	179.9	0	0	0	112.7	L552 L557 V565 L578 N583 I585 L593 L606 D607 L608	L552-L580 HydrophobicContact CB-CD2 4.01Å; L552-L580 HydrophobicContact CD1-CD2 4.37Å; L557-L580 HydrophobicContact CD1-CD2 4.13Å; V565-L580 HydrophobicContact CG1-CD1 4.01Å; V565-L580 HydrophobicContact CG1-CD2 4.35Å; V565-L580 HydrophobicContact CG2-CD2 4.21Å; L578-L580 HydrophobicContact CD1-CD2 4.18Å; L578-L580 HydrophobicContact CD2-CD1 4.21Å; L578-L580 HydrophobicContact CD2-CD2 4.21Å; L578-L580 HydrophobicContact CD2-CG 4.16Å; L578-L580 HydrophobicContact CG-CD2 4.15Å; L578-L580 HydrophobicContact CG-CG 4.08Å; L580-N583 PolarHBondContact O-ND2 3.08Å; L580-I585 HydrophobicContact CB-CD1 3.87Å; L580-I585 HydrophobicContact CD1-CD1 3.95Å; L580-I585 HydrophobicContact CG-CD1 4.43Å; L580-L593 HydrophobicContact CD1-CD1 3.85Å; L580-L593 HydrophobicContact CD1-CD2 4.1Å; L580-L606 HydrophobicContact CD1-CD1 3.83Å; L580-L606 HydrophobicContact CG-CD1 3.98Å; L580-D607 PolarHBondContact N-O 3.43Å; L580-L608 HydrophobicContact CB-CD2 3.81Å; L580-L608 HydrophobicContact CD1-CD2 4.32Å
581	R	97.3	Very high	93.9	Very high	62 Å²	62	50.1 Å²	50.1	23%	0.234	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	159.9	178.5	-72.5	176.1	-67.6	161	-0.8	113.1	C11 A553 S554 D579 N583 D607 D609	C11-R581 VanDerWaalsContact CB-NH2 3.33Å; C11-R581 PolarHBondContact SG-NH2 3.27Å; A553-R581 CarbonylContact C-O 3.18Å; A553-R581 WeakPolarHBondContact CA-O 3.47Å; A553-R581 HydrophobicContact CB-CB 4.09Å; A553-R581 WeakPolarHBondContact CB-O 3.48Å; S554-R581 PolarHBondContact N-O 2.92Å; D579-R581 WeakPolarHBondContact OD1-CB 3.46Å; D579-R581 VanDerWaalsContact OD1-CG 3.3Å; D579-R581 WeakPolarHBondContact OD1-CG 3.48Å; D579-R581 IonicContact OD1-CZ 3.23Å; D579-R581 PolarHBondContact OD1-N 3.25Å; D579-R581 VanDerWaalsContact OD1-N 3.14Å; D579-R581 IonicContact OD1-NE 3.77Å; D579-R581 PolarHBondContact OD1-NE 3.29Å; D579-R581 IonicContact OD1-NH2 2.74Å; D579-R581 IonicContact OD2-CZ 3.73Å; D579-R581 IonicContact OD2-NE 2.7Å; D579-R581 PolarHBondContact OD2-NE 3.33Å; D579-R581 IonicContact OD2-NH2 3.51Å; D579-R581 PolarHBondContact OD2-NH2 2.79Å; R581-N583 PolarHBondContact O-N 2.98Å; R581-N583 PolarHBondContact O-ND2 3.17Å; R581-N583 VanDerWaalsContact O-ND2 3.11Å; R581-D607 HydrophobicContact CG-CB 4.39Å; R581-D609 VanDerWaalsContact CA-OD1 3.28Å; R581-D609 WeakPolarHBondContact CA-OD1 3.41Å; R581-D609 WeakPolarHBondContact CB-OD1 3.23Å
582	E	95.3	Very high	94.3	Very high	113 Å²	113	45.2 Å²	45.2	53%	0.528	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	19.4	174.9	-62.7	169.4	-147.1	0	0	114.9	D609	E582-D609 VanDerWaalsContact N-CG 3.31Å; E582-D609 PolarHBondContact N-OD1 3.17Å; E582-D609 PolarHBondContact N-OD2 2.7Å; E582-D609 VanDerWaalsContact N-OD2 3.1Å
583	N	96.4	Very high	94.8	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.016	22%	0.219	C	C	.	.	S	Bend	trans	-103.3	164.7	174.2	-71.7	-68.7	0	0	0	112.3	L552 T555 K556 L557 L580 R581 I585 K613	L552-N583 PolarHBondContact O-ND2 3.48Å; T555-N583 PolarHBondContact N-OD1 3.45Å; K556-N583 PolarHBondContact N-OD1 3.02Å; K556-N583 VanDerWaalsContact N-OD1 3.16Å; L557-N583 HydrophobicContact CB-CB 4.07Å; L557-N583 PolarHBondContact N-OD1 3.45Å; L580-N583 PolarHBondContact O-ND2 3.08Å; R581-N583 PolarHBondContact O-N 2.98Å; R581-N583 PolarHBondContact O-ND2 3.17Å; R581-N583 VanDerWaalsContact O-ND2 3.11Å; N583-I585 HydrophobicContact CB-CD1 4.15Å; N583-I585 HydrophobicContact CB-CG1 3.91Å; N583-I585 PolarHBondContact O-N 2.95Å; N583-I585 VanDerWaalsContact O-N 3.11Å; N583-K613 WeakPolarHBondContact O-CE 3.3Å; N583-K613 PolarHBondContact O-NZ 2.98Å
584	E	94.9	Very high	95.8	Very high	92 Å²	92	41.3 Å²	41.3	43%	0.43	20%	0.197	S	C	.	.			trans	-88.8	47.1	179.5	-77.2	-62.7	109.2	0	0	112.8	L557 K586 K613	L557-E584 WeakPolarHBondContact O-CA 3.41Å; L557-E584 PolarHBondContact O-N 3.45Å; E584-K586 PolarHBondContact O-N 2.96Å; E584-K586 WeakPolarHBondContact OE2-CE 3.31Å; E584-K586 IonicContact OE2-NZ 3.09Å; E584-K586 PolarHBondContact OE2-NZ 2.76Å; E584-K613 IonicContact OE1-NZ 3.78Å
585	I	95.1	Very high	96.2	Very high	9 Å²	9	40.1 Å²	40.1	5%	0.046	20%	0.2	C	C	.	.			trans	-82.3	111.4	177.3	-53.5	-180	0	0	0	108.9	A562 L580 N583 L590 L593 L608 K613	A562-I585 HydrophobicContact CB-CD1 4.03Å; A562-I585 HydrophobicContact CB-CG1 4.08Å; A562-I585 HydrophobicContact CB-CG2 3.82Å; L580-I585 HydrophobicContact CB-CD1 3.87Å; L580-I585 HydrophobicContact CD1-CD1 3.95Å; L580-I585 HydrophobicContact CG-CD1 4.43Å; N583-I585 HydrophobicContact CB-CD1 4.15Å; N583-I585 HydrophobicContact CB-CG1 3.91Å; N583-I585 PolarHBondContact O-N 2.95Å; N583-I585 VanDerWaalsContact O-N 3.11Å; I585-L590 HydrophobicContact CG2-CD2 4.02Å; I585-L590 HydrophobicContact CG2-CG 4.16Å; I585-L593 HydrophobicContact CG2-CD1 4.36Å; I585-L608 HydrophobicContact CD1-CD2 4.31Å; I585-K613 WeakPolarHBondContact O-CG 3.38Å
586	K	94.8	Very high	96.3	Very high	67 Å²	67	40.1 Å²	40.1	29%	0.291	20%	0.201	S	C	.	.			trans	-108	-172.7	-179.5	-68.4	166.9	-175.5	162.3	0	110.1	C559 E584 G588 G589 L590 K613 E615	C559-K586 PolarHBondContact SG-N 3.28Å; E584-K586 PolarHBondContact O-N 2.96Å; E584-K586 WeakPolarHBondContact OE2-CE 3.31Å; E584-K586 IonicContact OE2-NZ 3.09Å; E584-K586 PolarHBondContact OE2-NZ 2.76Å; K586-G588 VanDerWaalsContact C-N 3.31Å; K586-G588 PolarHBondContact O-N 3.07Å; K586-G588 VanDerWaalsContact O-N 3.11Å; K586-G589 PolarHBondContact O-N 2.87Å; K586-L590 PolarHBondContact O-N 3.4Å; K586-L590 VanDerWaalsContact O-N 3.15Å; K586-K613 HydrophobicContact CG-CB 3.85Å; K586-E615 HydrophobicContact CB-CG 4.39Å; K586-E615 HydrophobicContact CD-CG 4.32Å; K586-E615 HydrophobicContact CG-CG 4.3Å
587	T	94.9	Very high	96.2	Very high	8 Å²	8	37.6 Å²	37.6	5%	0.049	19%	0.188	C	C	.	.	H	α-helix	trans	-45	-48	-172.4	-61.5	0	0	0	0	114.3	G589 L590 M591 E615 F620 T623 Q624 L627	T587-G589 PolarHBondContact O-N 2.88Å; T587-L590 PolarHBondContact O-N 3.44Å; T587-M591 HydrophobicContact CG2-CE 3.7Å; T587-M591 HydrophobicContact CG2-CG 4.46Å; T587-M591 HydrophobicContact CG2-SD 4.21Å; T587-M591 WeakPolarHBondContact O-CG 3.5Å; T587-M591 PolarHBondContact O-N 2.86Å; T587-E615 WeakPolarHBondContact CB-OE1 3.25Å; T587-E615 PolarHBondContact N-OE1 3.36Å; T587-E615 PolarHBondContact OG1-OE1 2.97Å; T587-F620 HydrophobicContact CG2-CD1 4.24Å; T587-F620 PolarHBondContact OG1-O 2.89Å; T587-T623 HydrophobicContact CG2-CG2 3.83Å; T587-Q624 WeakPolarHBondContact OG1-CG 3.43Å; T587-L627 HydrophobicContact CG2-CD1 4.12Å
588	G	94.1	Very high	96	Very high	42 Å²	42	36.2 Å²	36.2	43%	0.433	19%	0.186	S	C	.	.	H	α-helix	trans	-62	-40.5	-178.9	0	0	0	0	0	114.4	K586 M591 A592	K586-G588 VanDerWaalsContact C-N 3.31Å; K586-G588 PolarHBondContact O-N 3.07Å; K586-G588 VanDerWaalsContact O-N 3.11Å; G588-M591 PolarHBondContact O-N 2.92Å; G588-A592 PolarHBondContact O-N 3.27Å
589	G	95.9	Very high	95.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-68.5	-38.6	175.6	0	0	0	0	0	112.6	K586 T587 M591 A592 L593	K586-G589 PolarHBondContact O-N 2.87Å; T587-G589 PolarHBondContact O-N 2.88Å; G589-M591 VanDerWaalsContact C-N 3.34Å; G589-M591 PolarHBondContact O-N 2.82Å; G589-A592 PolarHBondContact O-N 2.65Å; G589-L593 WeakPolarHBondContact O-CG 3.32Å; G589-L593 PolarHBondContact O-N 3.41Å
590	L	97	Very high	95.7	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-66.8	-33.3	174.6	-64.4	178.2	0	0	0	112.5	I585 K586 T587 L593 S594 L608 Q624 L627 L628 I631	I585-L590 HydrophobicContact CG2-CD2 4.02Å; I585-L590 HydrophobicContact CG2-CG 4.16Å; K586-L590 PolarHBondContact O-N 3.4Å; K586-L590 VanDerWaalsContact O-N 3.15Å; T587-L590 PolarHBondContact O-N 3.44Å; L590-L593 HydrophobicContact CD2-CD1 4.45Å; L590-S594 WeakPolarHBondContact O-CB 3.44Å; L590-S594 PolarHBondContact O-N 2.73Å; L590-L608 HydrophobicContact CD2-CD1 3.95Å; L590-L608 HydrophobicContact CD2-CD2 4.34Å; L590-Q624 HydrophobicContact CD1-CB 3.88Å; L590-Q624 HydrophobicContact CD1-CG 3.9Å; L590-L627 HydrophobicContact CB-CB 3.95Å; L590-L627 HydrophobicContact CB-CD1 3.87Å; L590-L628 HydrophobicContact CD1-CD2 4.33Å; L590-L628 HydrophobicContact CD1-CG 4.13Å; L590-L628 HydrophobicContact CD2-CD2 4.02Å; L590-I631 HydrophobicContact CB-CD1 4.41Å; L590-I631 HydrophobicContact CD2-CD1 4Å
591	M	96.6	Very high	95.4	Very high	85 Å²	85	44.6 Å²	44.6	42%	0.419	23%	0.234	S	C	.	.	H	α-helix	trans	-62.6	-45.7	172	-73.2	178	170.3	0	0	111.4	T587 G588 G589 S594 L595 T623 L627	T587-M591 HydrophobicContact CG2-CE 3.7Å; T587-M591 HydrophobicContact CG2-CG 4.46Å; T587-M591 HydrophobicContact CG2-SD 4.21Å; T587-M591 WeakPolarHBondContact O-CG 3.5Å; T587-M591 PolarHBondContact O-N 2.86Å; G588-M591 PolarHBondContact O-N 2.92Å; G589-M591 VanDerWaalsContact C-N 3.34Å; G589-M591 PolarHBondContact O-N 2.82Å; M591-S594 PolarHBondContact O-N 3.15Å; M591-L595 WeakPolarHBondContact O-CG 3.39Å; M591-L595 PolarHBondContact O-N 3.41Å; M591-T623 HydrophobicContact CE-CG2 3.89Å; M591-L627 HydrophobicContact CE-CD1 4.38Å; M591-L627 HydrophobicContact CG-CD1 3.57Å; M591-L627 HydrophobicContact CG-CD2 4.05Å; M591-L627 HydrophobicContact CG-CG 4.48Å
592	A	97.5	Very high	95.2	Very high	19 Å²	19	42.3 Å²	42.3	16%	0.157	23%	0.227	C	C	.	.	H	α-helix	trans	-61.5	-46	177	0	0	0	0	0	112.1	V563 A566 G588 G589 S594 L595 A596	V563-A592 HydrophobicContact CB-CB 4.47Å; V563-A592 HydrophobicContact CG2-CB 3.76Å; A566-A592 HydrophobicContact CB-CB 3.81Å; A566-A592 WeakPolarHBondContact CB-O 3.47Å; G588-A592 PolarHBondContact O-N 3.27Å; G589-A592 PolarHBondContact O-N 2.65Å; A592-S594 PolarHBondContact O-N 3.13Å; A592-L595 PolarHBondContact O-N 2.83Å; A592-A596 PolarHBondContact O-N 3.12Å
593	L	96.9	Very high	95.3	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.8	-39	177	-67.8	167.8	0	0	0	112.6	A562 V565 A566 I569 L580 I585 G589 L590 L597 L606 I631	A562-L593 HydrophobicContact CB-CD1 4.4Å; V565-L593 HydrophobicContact CB-CD2 4.45Å; V565-L593 HydrophobicContact CG1-CD2 3.83Å; A566-L593 HydrophobicContact CB-CD2 4.26Å; I569-L593 HydrophobicContact CD1-CD2 3.79Å; L580-L593 HydrophobicContact CD1-CD1 3.85Å; L580-L593 HydrophobicContact CD1-CD2 4.1Å; I585-L593 HydrophobicContact CG2-CD1 4.36Å; G589-L593 WeakPolarHBondContact O-CG 3.32Å; G589-L593 PolarHBondContact O-N 3.41Å; L590-L593 HydrophobicContact CD2-CD1 4.45Å; L593-L597 WeakPolarHBondContact O-CB 3.5Å; L593-L597 PolarHBondContact O-N 3.05Å; L593-L606 HydrophobicContact CB-CD2 4.46Å; L593-L606 HydrophobicContact CD1-CD2 4.5Å; L593-L606 HydrophobicContact CD2-CD2 4.34Å; L593-I631 HydrophobicContact CB-CD1 4Å
594	S	96.7	Very high	95.2	Very high	4 Å²	4	39.1 Å²	39.1	3%	0.028	21%	0.213	C	C	.	.	H	α-helix	trans	-61.9	-42.9	172.4	163.1	0	0	0	0	112.3	L590 M591 A592 L597 K598 E630	L590-S594 WeakPolarHBondContact O-CB 3.44Å; L590-S594 PolarHBondContact O-N 2.73Å; M591-S594 PolarHBondContact O-N 3.15Å; A592-S594 PolarHBondContact O-N 3.13Å; S594-L597 PolarHBondContact O-N 3.43Å; S594-K598 WeakPolarHBondContact O-CG 3.31Å; S594-K598 PolarHBondContact O-N 3.35Å; S594-K598 PolarHBondContact OG-NZ 2.91Å; S594-E630 PolarHBondContact OG-OE2 3.47Å
595	L	96.4	Very high	95.3	Very high	112 Å²	112	40.9 Å²	40.9	59%	0.586	22%	0.216	S	C	*	.	H	α-helix	trans	-66.4	-43.2	178.1	-69.9	170.8	0	0	0	111.8	M591 A592 L597 K598	M591-L595 WeakPolarHBondContact O-CG 3.39Å; M591-L595 PolarHBondContact O-N 3.41Å; A592-L595 PolarHBondContact O-N 2.83Å; L595-L597 VanDerWaalsContact C-N 3.33Å; L595-L597 PolarHBondContact O-N 3.04Å; L595-K598 HydrophobicContact CD2-CD 4.45Å; L595-K598 WeakPolarHBondContact O-CB 3.25Å; L595-K598 PolarHBondContact O-N 3.17Å; L595-K598 VanDerWaalsContact O-N 3.13Å
596	A	96.1	Very high	95.3	Very high	7 Å²	7	41.2 Å²	41.2	6%	0.058	22%	0.218	C	C	.	.	H	α-helix	trans	-60.4	-41.3	174.5	0	0	0	0	0	112.2	A566 I569 A570 A592 K598 V599 N600	A566-A596 HydrophobicContact CB-CB 3.94Å; A566-A596 VanDerWaalsContact O-CB 3.25Å; A566-A596 WeakPolarHBondContact O-CB 3.41Å; I569-A596 HydrophobicContact CB-CB 4.21Å; I569-A596 HydrophobicContact CG2-CB 4.04Å; A570-A596 HydrophobicContact CB-CB 4.4Å; A592-A596 PolarHBondContact O-N 3.12Å; A596-K598 PolarHBondContact O-N 3.4Å; A596-V599 PolarHBondContact O-N 2.81Å; A596-N600 WeakPolarHBondContact O-CB 3.34Å; A596-N600 PolarHBondContact O-N 3.08Å
597	L	95	Very high	95.4	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-70.8	-1.9	176.5	-82.5	171.2	0	0	0	115.5	L593 S594 L595 L603 L606 I631 R637	L593-L597 WeakPolarHBondContact O-CB 3.5Å; L593-L597 PolarHBondContact O-N 3.05Å; S594-L597 PolarHBondContact O-N 3.43Å; L595-L597 VanDerWaalsContact C-N 3.33Å; L595-L597 PolarHBondContact O-N 3.04Å; L597-L603 HydrophobicContact CD2-CB 4.12Å; L597-L603 HydrophobicContact CD2-CD2 4.17Å; L597-L606 HydrophobicContact CD1-CD2 4.07Å; L597-I631 HydrophobicContact CD1-CB 4.19Å; L597-I631 HydrophobicContact CD1-CG1 4.21Å; L597-I631 HydrophobicContact CD1-CG2 3.75Å; L597-R637 PolarHBondContact O-NH2 3.16Å
598	K	93.8	Very high	95.4	Very high	110 Å²	110	40.7 Å²	40.7	48%	0.478	22%	0.218	S	C	.	.	H	α-helix	trans	-90.1	-19.3	167.6	-71.1	157.9	-177.3	156.7	0	112.6	S594 L595 A596 E630	S594-K598 WeakPolarHBondContact O-CG 3.31Å; S594-K598 PolarHBondContact O-N 3.35Å; S594-K598 PolarHBondContact OG-NZ 2.91Å; L595-K598 HydrophobicContact CD2-CD 4.45Å; L595-K598 WeakPolarHBondContact O-CB 3.25Å; L595-K598 PolarHBondContact O-N 3.17Å; L595-K598 VanDerWaalsContact O-N 3.13Å; A596-K598 PolarHBondContact O-N 3.4Å; K598-E630 WeakPolarHBondContact CE-OE1 3.37Å; K598-E630 IonicContact NZ-OE1 2.68Å; K598-E630 PolarHBondContact NZ-OE1 3.17Å; K598-E630 IonicContact NZ-OE2 3.18Å; K598-E630 PolarHBondContact NZ-OE2 2.86Å
599	V	93.8	Very high	95.4	Very high	96 Å²	96	40.6 Å²	40.6	58%	0.582	21%	0.207	S	C	*	.	H	α-helix	trans	-101.4	-44.2	176.1	-176.9	0	0	0	0	110.9	A596 N601	A596-V599 PolarHBondContact O-N 2.81Å; V599-N601 PolarHBondContact O-ND2 3.2Å; V599-N601 VanDerWaalsContact O-ND2 3.15Å
600	N	94.1	Very high	94.9	Very high	9 Å²	9	51.9 Å²	51.9	5%	0.048	25%	0.25	C	S	.	.			trans	-70.3	134.9	179	-179	-79.6	0	0	0	111.9	I569 S572 A596 S602 L603 R637 N638	I569-N600 HydrophobicContact CG2-CB 3.81Å; I569-N600 WeakPolarHBondContact O-CB 3.4Å; I569-N600 PolarHBondContact O-ND2 3.05Å; S572-N600 PolarHBondContact O-ND2 3.41Å; S572-N600 VanDerWaalsContact O-ND2 3.08Å; A596-N600 WeakPolarHBondContact O-CB 3.34Å; A596-N600 PolarHBondContact O-N 3.08Å; N600-S602 PolarHBondContact ND2-OG 2.89Å; N600-S602 PolarHBondContact OD1-N 2.68Å; N600-S602 PolarHBondContact OD1-OG 2.85Å; N600-L603 WeakPolarHBondContact OD1-CB 3.47Å; N600-L603 PolarHBondContact OD1-N 3.4Å; N600-R637 PolarHBondContact O-NH2 3.18Å; N600-R637 VanDerWaalsContact O-NH2 3.12Å; N600-N638 PolarHBondContact O-ND2 3.42Å; N600-N638 VanDerWaalsContact O-ND2 3.14Å; N600-N638 PolarHBondContact O-OD1 2.97Å
601	N	91.9	Very high	94.4	Very high	91 Å²	91	59.3 Å²	59.3	49%	0.487	29%	0.285	S	S	.	.			trans	-120.6	7	177.8	-62.3	-61.2	0	0	0	113.6	V599 R637 N638	V599-N601 PolarHBondContact O-ND2 3.2Å; V599-N601 VanDerWaalsContact O-ND2 3.15Å; N601-R637 PolarHBondContact OD1-NH1 2.87Å; N601-R637 PolarHBondContact OD1-NH2 3.38Å; N601-N638 WeakPolarHBondContact CA-OD1 3.42Å
602	S	93.3	Very high	94	Very high	14 Å²	14	56.3 Å²	56.3	10%	0.098	27%	0.272	C	S	.	.	S	Bend	trans	-99.8	-31.9	-178.7	71.8	0	0	0	0	113.5	S572 L575 L576 N600 L604	S572-S602 PolarHBondContact O-OG 3Å; L575-S602 CarbonylContact O-C 3.15Å; L575-S602 VanDerWaalsContact O-C 3.31Å; L575-S602 PolarHBondContact O-OG 3.03Å; L576-S602 WeakPolarHBondContact CD2-O 3.45Å; N600-S602 PolarHBondContact ND2-OG 2.89Å; N600-S602 PolarHBondContact OD1-N 2.68Å; N600-S602 PolarHBondContact OD1-OG 2.85Å; S602-L604 VanDerWaalsContact O-CD2 3.26Å; S602-L604 WeakPolarHBondContact O-CD2 3.34Å; S602-L604 WeakPolarHBondContact O-CG 3.48Å; S602-L604 PolarHBondContact O-N 3.22Å; S602-L604 VanDerWaalsContact O-N 3.1Å
603	L	95.3	Very high	93.6	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	27%	0.272	C	S	.	.			trans	-78.8	102.5	-169.7	-166.3	70	0	0	0	110.1	I569 L575 L578 L597 N600 L606 N638	I569-L603 HydrophobicContact CD1-CD2 4.09Å; I569-L603 HydrophobicContact CG1-CD2 4.43Å; I569-L603 HydrophobicContact CG2-CD2 4.24Å; L575-L603 HydrophobicContact CB-CD1 4.42Å; L575-L603 HydrophobicContact CD2-CD1 4.18Å; L575-L603 HydrophobicContact CG-CD1 4.05Å; L575-L603 WeakPolarHBondContact O-CA 3.42Å; L575-L603 PolarHBondContact O-N 2.94Å; L578-L603 HydrophobicContact CB-CD1 3.97Å; L578-L603 HydrophobicContact CB-CD2 4.44Å; L597-L603 HydrophobicContact CD2-CB 4.12Å; L597-L603 HydrophobicContact CD2-CD2 4.17Å; N600-L603 WeakPolarHBondContact OD1-CB 3.47Å; N600-L603 PolarHBondContact OD1-N 3.4Å; L603-L606 HydrophobicContact CD2-CB 4.11Å; L603-L606 HydrophobicContact CD2-CD2 4.48Å; L603-N638 WeakPolarHBondContact O-CB 3.22Å; L603-N638 PolarHBondContact O-ND2 3.27Å; L603-N638 VanDerWaalsContact O-ND2 3.08Å
604	L	95.6	Very high	93.1	Very high	47 Å²	47	66.6 Å²	66.6	25%	0.246	31%	0.313	C	S	.	.			trans	-83.4	-23.4	-176	-45.5	-175.2	0	0	0	112.2	L576 S602 C635 N638 A642	L576-L604 HydrophobicContact CB-CD1 4.43Å; L576-L604 HydrophobicContact CB-CG 4.33Å; L576-L604 HydrophobicContact CD2-CD1 4.35Å; L576-L604 HydrophobicContact CD2-CG 4.28Å; L576-L604 PolarHBondContact O-N 2.84Å; S602-L604 VanDerWaalsContact O-CD2 3.26Å; S602-L604 WeakPolarHBondContact O-CD2 3.34Å; S602-L604 WeakPolarHBondContact O-CG 3.48Å; S602-L604 PolarHBondContact O-N 3.22Å; S602-L604 VanDerWaalsContact O-N 3.1Å; L604-C635 WeakPolarHBondContact O-CB 3.17Å; L604-N638 HydrophobicContact CD2-CB 4.16Å; L604-A642 HydrophobicContact CD2-CB 3.92Å
605	R	95.9	Very high	92.5	Very high	129 Å²	129	68.6 Å²	68.6	49%	0.487	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	127.5	179.5	-175.8	170	170	169.1	-4.6	111.6	L576 R577 L578 D607	L576-R605 PolarHBondContact O-N 2.94Å; L576-R605 VanDerWaalsContact O-N 3.09Å; R577-R605 WeakPolarHBondContact CA-O 3.41Å; R577-R605 HydrophobicContact CG-CB 4.23Å; L578-R605 PolarHBondContact N-O 2.99Å; R605-D607 WeakPolarHBondContact CD-OD2 3.49Å; R605-D607 WeakPolarHBondContact CG-OD2 3.47Å; R605-D607 IonicContact CZ-OD1 3.31Å; R605-D607 IonicContact CZ-OD2 3.78Å; R605-D607 VanDerWaalsContact NE-CG 3.28Å; R605-D607 IonicContact NE-OD1 3.17Å; R605-D607 PolarHBondContact NE-OD1 2.82Å; R605-D607 IonicContact NE-OD2 2.81Å; R605-D607 PolarHBondContact NE-OD2 2.97Å; R605-D607 IonicContact NH2-OD1 2.68Å; R605-D607 PolarHBondContact NH2-OD1 3.21Å; R605-D607 IonicContact NH2-OD2 2.75Å; R605-D607 PolarHBondContact NH2-OD2 3.36Å
606	L	96.7	Very high	91.9	Very high	17 Å²	17	69.1 Å²	69.1	9%	0.089	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	106.4	169.3	177.8	51	0	0	0	108.3	L578 L580 L593 L597 L603 L608 I631	L578-L606 HydrophobicContact CB-CD1 3.97Å; L578-L606 HydrophobicContact CD2-CD1 3.91Å; L578-L606 HydrophobicContact CG-CD1 3.9Å; L578-L606 CarbonylContact O-C 3.14Å; L578-L606 WeakPolarHBondContact O-CA 3.46Å; L580-L606 HydrophobicContact CD1-CD1 3.83Å; L580-L606 HydrophobicContact CG-CD1 3.98Å; L593-L606 HydrophobicContact CB-CD2 4.46Å; L593-L606 HydrophobicContact CD1-CD2 4.5Å; L593-L606 HydrophobicContact CD2-CD2 4.34Å; L597-L606 HydrophobicContact CD1-CD2 4.07Å; L603-L606 HydrophobicContact CD2-CB 4.11Å; L603-L606 HydrophobicContact CD2-CD2 4.48Å; L606-L608 HydrophobicContact CD2-CD1 4.08Å; L606-L608 HydrophobicContact CG-CD1 3.97Å; L606-L608 HydrophobicContact CG-CG 4.15Å; L606-I631 HydrophobicContact CB-CG2 4.32Å; L606-I631 HydrophobicContact CD2-CG2 3.86Å; L606-I631 HydrophobicContact CG-CG2 4.3Å
607	D	96.5	Very high	91.5	Very high	36 Å²	36	71.8 Å²	71.8	19%	0.193	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	125	176.5	-72.1	-76.6	0	0	0	110.1	L578 D579 L580 R581 R605	L578-D607 PolarHBondContact O-N 3.29Å; D579-D607 HydrophobicContact CB-CB 4.2Å; D579-D607 WeakPolarHBondContact OD1-CB 3.4Å; L580-D607 PolarHBondContact N-O 3.43Å; R581-D607 HydrophobicContact CG-CB 4.39Å; R605-D607 WeakPolarHBondContact CD-OD2 3.49Å; R605-D607 WeakPolarHBondContact CG-OD2 3.47Å; R605-D607 IonicContact CZ-OD1 3.31Å; R605-D607 IonicContact CZ-OD2 3.78Å; R605-D607 VanDerWaalsContact NE-CG 3.28Å; R605-D607 IonicContact NE-OD1 3.17Å; R605-D607 PolarHBondContact NE-OD1 2.82Å; R605-D607 IonicContact NE-OD2 2.81Å; R605-D607 PolarHBondContact NE-OD2 2.97Å; R605-D607 IonicContact NH2-OD1 2.68Å; R605-D607 PolarHBondContact NH2-OD1 3.21Å; R605-D607 IonicContact NH2-OD2 2.75Å; R605-D607 PolarHBondContact NH2-OD2 3.36Å
608	L	95.3	Very high	91.2	Very high	28 Å²	28	80.2 Å²	80.2	15%	0.147	39%	0.386	C	S	.	.			trans	-139	161.2	-177.5	-79.3	164.6	0	0	0	109.2	L580 I585 L590 L606 R610 L628 I631	L580-L608 HydrophobicContact CB-CD2 3.81Å; L580-L608 HydrophobicContact CD1-CD2 4.32Å; I585-L608 HydrophobicContact CD1-CD2 4.31Å; L590-L608 HydrophobicContact CD2-CD1 3.95Å; L590-L608 HydrophobicContact CD2-CD2 4.34Å; L606-L608 HydrophobicContact CD2-CD1 4.08Å; L606-L608 HydrophobicContact CG-CD1 3.97Å; L606-L608 HydrophobicContact CG-CG 4.15Å; L608-R610 PolarHBondContact O-N 3.23Å; L608-L628 HydrophobicContact CB-CD2 3.94Å; L608-L628 HydrophobicContact CD1-CD2 3.85Å; L608-L628 HydrophobicContact CG-CD2 4.49Å; L608-I631 HydrophobicContact CD1-CD1 4.06Å; L608-I631 HydrophobicContact CD1-CG2 4.07Å
609	D	92.9	Very high	91	Very high	39 Å²	39	77.9 Å²	77.9	21%	0.209	38%	0.384	C	S	.	.			trans	-62.6	130.8	176.5	-69	-16.6	0	0	0	110.7	R581 E582 E611 K613	R581-D609 VanDerWaalsContact CA-OD1 3.28Å; R581-D609 WeakPolarHBondContact CA-OD1 3.41Å; R581-D609 WeakPolarHBondContact CB-OD1 3.23Å; E582-D609 VanDerWaalsContact N-CG 3.31Å; E582-D609 PolarHBondContact N-OD1 3.17Å; E582-D609 PolarHBondContact N-OD2 2.7Å; E582-D609 VanDerWaalsContact N-OD2 3.1Å; D609-E611 VanDerWaalsContact C-N 3.25Å; D609-E611 PolarHBondContact O-N 3.46Å; D609-K613 WeakPolarHBondContact OD2-CE 3.4Å; D609-K613 IonicContact OD2-NZ 3.72Å; D609-K613 PolarHBondContact OD2-NZ 2.99Å
610	R	85.3	Confident	90.9	Very high	237 Å²	237	77.5 Å²	77.5	89%	0.894	38%	0.375	S	S	*	.	S	Bend	trans	-70.2	-24.6	179.9	-66.1	-175.8	179	-171.9	0.3	112.9	L608	L608-R610 PolarHBondContact O-N 3.23Å
611	E	87.7	Confident	90.7	Very high	161 Å²	161	79.4 Å²	79.4	75%	0.752	38%	0.384	S	S	*	.	S	Bend	trans	-97.7	126.6	179.2	-63	-166.8	173.6	0	0	109.9	D609 K613	D609-E611 VanDerWaalsContact C-N 3.25Å; D609-E611 PolarHBondContact O-N 3.46Å; E611-K613 PolarHBondContact O-N 2.73Å
612	P	87	Confident	90.7	Very high	22 Å²	22	81.9 Å²	81.9	14%	0.143	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-64.3	135.7	178.6	27.1	-34.9	0	0	0	111	I621 Q624 R625	P612-I621 HydrophobicContact CB-CG2 3.97Å; P612-I621 HydrophobicContact CG-CG2 3.56Å; P612-Q624 VanDerWaalsContact C-OE1 3.29Å; P612-Q624 HydrophobicContact CB-CB 3.87Å; P612-Q624 HydrophobicContact CB-CG 4.46Å; P612-R625 HydrophobicContact CG-CG 4.22Å
613	K	89.3	Confident	90.7	Very high	38 Å²	38	83.5 Å²	83.5	17%	0.165	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-63.6	141.6	-179.9	-63.7	-71.9	165.7	156	0	110.1	N583 E584 I585 K586 D609 E611 E615 Q624	N583-K613 WeakPolarHBondContact O-CE 3.3Å; N583-K613 PolarHBondContact O-NZ 2.98Å; E584-K613 IonicContact OE1-NZ 3.78Å; I585-K613 WeakPolarHBondContact O-CG 3.38Å; K586-K613 HydrophobicContact CG-CB 3.85Å; D609-K613 WeakPolarHBondContact OD2-CE 3.4Å; D609-K613 IonicContact OD2-NZ 3.72Å; D609-K613 PolarHBondContact OD2-NZ 2.99Å; E611-K613 PolarHBondContact O-N 2.73Å; K613-E615 PolarHBondContact O-N 3.48Å; K613-Q624 PolarHBondContact O-NE2 3.17Å
614	K	86.7	Confident	90.7	Very high	197 Å²	197	83.6 Å²	83.6	86%	0.857	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-60.7	119.9	-178.5	-66	177.9	-177.6	173.7	0	110.4
615	E	84	Confident	90.6	Very high	46 Å²	46	88.3 Å²	88.3	22%	0.215	42%	0.417	C	S	.	.			trans	-123.2	156.6	170.9	-72.5	-167.4	-127.3	0	0	109.6	K586 T587 K613 V617 F620 Q624	K586-E615 HydrophobicContact CB-CG 4.39Å; K586-E615 HydrophobicContact CD-CG 4.32Å; K586-E615 HydrophobicContact CG-CG 4.3Å; T587-E615 WeakPolarHBondContact CB-OE1 3.25Å; T587-E615 PolarHBondContact N-OE1 3.36Å; T587-E615 PolarHBondContact OG1-OE1 2.97Å; K613-E615 PolarHBondContact O-N 3.48Å; E615-V617 VanDerWaalsContact C-N 3.28Å; E615-V617 PolarHBondContact O-N 3.07Å; E615-F620 HydrophobicContact CB-CB 4.2Å; E615-F620 VanDerWaalsContact OE2-CB 3.32Å; E615-F620 WeakPolarHBondContact OE2-CB 3.41Å; E615-F620 WeakPolarHBondContact OE2-CD2 3.48Å; E615-F620 WeakPolarHBondContact OE2-CG 3.42Å; E615-Q624 PolarHBondContact OE1-NE2 3.39Å
616	S	83.4	Confident	90.6	Very high	122 Å²	122	85 Å²	85	85%	0.853	42%	0.418	S	S	*	.	S	Bend	trans	-68.7	-24.1	-176.1	50.1	0	0	0	0	113.8
617	V	88.9	Confident	90.5	Very high	63 Å²	63	84.9 Å²	84.9	38%	0.382	42%	0.417	S	S	.	.	S	Bend	trans	-112.8	126.5	-177.2	-159.8	0	0	0	0	110.5	E615 S619 F620	E615-V617 VanDerWaalsContact C-N 3.28Å; E615-V617 PolarHBondContact O-N 3.07Å; V617-S619 VanDerWaalsContact C-N 3.26Å; V617-S619 VanDerWaalsContact CG1-OG 3.3Å; V617-S619 WeakPolarHBondContact CG1-OG 3.3Å; V617-S619 PolarHBondContact O-N 3.3Å; V617-F620 HydrophobicContact CB-CD2 3.66Å; V617-F620 HydrophobicContact CB-CE2 4.01Å; V617-F620 HydrophobicContact CB-CG 4.45Å; V617-F620 HydrophobicContact CG2-CD2 3.85Å; V617-F620 HydrophobicContact CG2-CE2 3.77Å; V617-F620 PolarHBondContact O-N 3.02Å; V617-F620 VanDerWaalsContact O-N 3.11Å
618	K	87.3	Confident	90.5	Very high	181 Å²	181	84.1 Å²	84.1	79%	0.787	41%	0.413	S	S	*	.	H	α-helix	trans	-60.6	-32.2	-177.5	-66.5	-178.4	179.7	178.1	0	113.5	F620 I621 E622	K618-F620 VanDerWaalsContact C-N 3.29Å; K618-F620 PolarHBondContact O-N 3.28Å; K618-I621 WeakPolarHBondContact O-CB 3.3Å; K618-I621 PolarHBondContact O-N 3.3Å; K618-I621 VanDerWaalsContact O-N 3.15Å; K618-E622 PolarHBondContact O-N 2.81Å; K618-E622 VanDerWaalsContact O-N 3.13Å
619	S	89.8	Confident	90.5	Very high	62 Å²	62	86.2 Å²	86.2	43%	0.434	43%	0.427	S	S	.	.	H	α-helix	trans	-64.8	-30.2	176.9	51.3	0	0	0	0	113	V617 E622 T623	V617-S619 VanDerWaalsContact C-N 3.26Å; V617-S619 VanDerWaalsContact CG1-OG 3.3Å; V617-S619 WeakPolarHBondContact CG1-OG 3.3Å; V617-S619 PolarHBondContact O-N 3.3Å; S619-E622 PolarHBondContact O-N 3.32Å; S619-T623 WeakPolarHBondContact O-CB 3.45Å; S619-T623 PolarHBondContact O-N 2.67Å; S619-T623 PolarHBondContact O-OG1 3.24Å
620	F	91.5	Very high	90.6	Very high	87 Å²	87	88.2 Å²	88.2	38%	0.382	44%	0.435	S	S	.	.	H	α-helix	trans	-68.9	-39.3	171.8	-66.9	-44.4	0	0	0	111.4	T587 E615 V617 K618 E622 T623 Q624	T587-F620 HydrophobicContact CG2-CD1 4.24Å; T587-F620 PolarHBondContact OG1-O 2.89Å; E615-F620 HydrophobicContact CB-CB 4.2Å; E615-F620 VanDerWaalsContact OE2-CB 3.32Å; E615-F620 WeakPolarHBondContact OE2-CB 3.41Å; E615-F620 WeakPolarHBondContact OE2-CD2 3.48Å; E615-F620 WeakPolarHBondContact OE2-CG 3.42Å; V617-F620 HydrophobicContact CB-CD2 3.66Å; V617-F620 HydrophobicContact CB-CE2 4.01Å; V617-F620 HydrophobicContact CB-CG 4.45Å; V617-F620 HydrophobicContact CG2-CD2 3.85Å; V617-F620 HydrophobicContact CG2-CE2 3.77Å; V617-F620 PolarHBondContact O-N 3.02Å; V617-F620 VanDerWaalsContact O-N 3.11Å; K618-F620 VanDerWaalsContact C-N 3.29Å; K618-F620 PolarHBondContact O-N 3.28Å; F620-E622 VanDerWaalsContact C-N 3.28Å; F620-E622 PolarHBondContact O-N 2.77Å; F620-T623 CarbonylContact O-C 3.56Å; F620-T623 WeakPolarHBondContact O-CA 3.24Å; F620-T623 WeakPolarHBondContact O-CB 3.42Å; F620-T623 PolarHBondContact O-N 3.46Å; F620-T623 VanDerWaalsContact O-N 3.1Å; F620-Q624 WeakPolarHBondContact O-CG 3.36Å; F620-Q624 PolarHBondContact O-N 3.01Å
621	I	90.8	Very high	91.1	Very high	49 Å²	49	77 Å²	77	25%	0.251	39%	0.393	S	S	.	.	H	α-helix	trans	-61.3	-37.7	175.2	-56.8	178.4	0	0	0	111.3	P612 K618 R625	P612-I621 HydrophobicContact CB-CG2 3.97Å; P612-I621 HydrophobicContact CG-CG2 3.56Å; K618-I621 WeakPolarHBondContact O-CB 3.3Å; K618-I621 PolarHBondContact O-N 3.3Å; K618-I621 VanDerWaalsContact O-N 3.15Å; I621-R625 WeakPolarHBondContact O-CG 3.45Å; I621-R625 PolarHBondContact O-N 3.35Å
622	E	91.4	Very high	91.5	Very high	143 Å²	143	74.3 Å²	74.3	67%	0.668	38%	0.381	S	S	*	.	H	α-helix	trans	-68.7	-42.4	172.3	-172.3	168	-163	0	0	112	K618 S619 F620 Q624 R625 A626	K618-E622 PolarHBondContact O-N 2.81Å; K618-E622 VanDerWaalsContact O-N 3.13Å; S619-E622 PolarHBondContact O-N 3.32Å; F620-E622 VanDerWaalsContact C-N 3.28Å; F620-E622 PolarHBondContact O-N 2.77Å; E622-Q624 PolarHBondContact O-N 3.22Å; E622-R625 WeakPolarHBondContact O-CB 3.42Å; E622-R625 PolarHBondContact O-N 3.44Å; E622-R625 VanDerWaalsContact O-N 3.14Å; E622-A626 PolarHBondContact O-N 3.14Å
623	T	93.9	Very high	91.9	Very high	49 Å²	49	77 Å²	77	30%	0.301	39%	0.393	S	S	.	.	H	α-helix	trans	-60.8	-41.5	174.9	-55.4	0	0	0	0	111.9	T587 M591 S619 F620 R625 A626 L627	T587-T623 HydrophobicContact CG2-CG2 3.83Å; M591-T623 HydrophobicContact CE-CG2 3.89Å; S619-T623 WeakPolarHBondContact O-CB 3.45Å; S619-T623 PolarHBondContact O-N 2.67Å; S619-T623 PolarHBondContact O-OG1 3.24Å; F620-T623 CarbonylContact O-C 3.56Å; F620-T623 WeakPolarHBondContact O-CA 3.24Å; F620-T623 WeakPolarHBondContact O-CB 3.42Å; F620-T623 PolarHBondContact O-N 3.46Å; F620-T623 VanDerWaalsContact O-N 3.1Å; T623-R625 VanDerWaalsContact C-N 3.35Å; T623-R625 PolarHBondContact O-N 3.39Å; T623-A626 PolarHBondContact O-N 3.36Å; T623-L627 HydrophobicContact CG2-CD1 3.88Å; T623-L627 HydrophobicContact CG2-CG 4.35Å; T623-L627 WeakPolarHBondContact O-CB 3.48Å; T623-L627 VanDerWaalsContact O-CG 3.3Å; T623-L627 WeakPolarHBondContact O-CG 3.45Å; T623-L627 PolarHBondContact O-N 3.21Å
624	Q	94.1	Very high	92.2	Very high	2 Å²	2	75.6 Å²	75.6	1%	0.009	39%	0.391	C	S	.	.	H	α-helix	trans	-59	-43.5	173.4	-69.2	-174.5	33	0	0	111.5	T587 L590 P612 K613 E615 F620 E622 A626 L627 L628	T587-Q624 WeakPolarHBondContact OG1-CG 3.43Å; L590-Q624 HydrophobicContact CD1-CB 3.88Å; L590-Q624 HydrophobicContact CD1-CG 3.9Å; P612-Q624 VanDerWaalsContact C-OE1 3.29Å; P612-Q624 HydrophobicContact CB-CB 3.87Å; P612-Q624 HydrophobicContact CB-CG 4.46Å; K613-Q624 PolarHBondContact O-NE2 3.17Å; E615-Q624 PolarHBondContact OE1-NE2 3.39Å; F620-Q624 WeakPolarHBondContact O-CG 3.36Å; F620-Q624 PolarHBondContact O-N 3.01Å; E622-Q624 PolarHBondContact O-N 3.22Å; Q624-A626 VanDerWaalsContact C-N 3.34Å; Q624-A626 PolarHBondContact O-N 2.92Å; Q624-L627 PolarHBondContact O-N 3.25Å; Q624-L628 WeakPolarHBondContact O-CB 3.5Å; Q624-L628 VanDerWaalsContact O-CG 3.26Å; Q624-L628 WeakPolarHBondContact O-CG 3.16Å; Q624-L628 PolarHBondContact O-N 2.88Å
625	R	93.9	Very high	92.7	Very high	146 Å²	146	66.7 Å²	66.7	55%	0.551	35%	0.353	S	S	*	.	H	α-helix	trans	-62.9	-40.4	177.4	-68.6	172.7	-175.2	-86	-0.9	111.7	P612 I621 E622 T623 T629	P612-R625 HydrophobicContact CG-CG 4.22Å; I621-R625 WeakPolarHBondContact O-CG 3.45Å; I621-R625 PolarHBondContact O-N 3.35Å; E622-R625 WeakPolarHBondContact O-CB 3.42Å; E622-R625 PolarHBondContact O-N 3.44Å; E622-R625 VanDerWaalsContact O-N 3.14Å; T623-R625 VanDerWaalsContact C-N 3.35Å; T623-R625 PolarHBondContact O-N 3.39Å; R625-T629 PolarHBondContact O-N 3.1Å; R625-T629 VanDerWaalsContact O-N 3.14Å; R625-T629 PolarHBondContact O-OG1 3.04Å
626	A	95.5	Very high	93.2	Very high	60 Å²	60	69.8 Å²	69.8	50%	0.496	37%	0.365	S	S	.	.	H	α-helix	trans	-63.7	-47.3	174.1	0	0	0	0	0	111.7	E622 T623 Q624 T629 E630	E622-A626 PolarHBondContact O-N 3.14Å; T623-A626 PolarHBondContact O-N 3.36Å; Q624-A626 VanDerWaalsContact C-N 3.34Å; Q624-A626 PolarHBondContact O-N 2.92Å; A626-T629 WeakPolarHBondContact O-CB 3.41Å; A626-T629 PolarHBondContact O-N 3.34Å; A626-T629 VanDerWaalsContact O-N 3.17Å; A626-E630 PolarHBondContact O-N 2.83Å
627	L	96.3	Very high	93.8	Very high	15 Å²	15	68 Å²	68	8%	0.079	34%	0.34	C	S	.	.	H	α-helix	trans	-64.1	-41.8	178.7	-70.7	165.8	0	0	0	112.8	T587 L590 M591 T623 Q624 T629 E630 I631	T587-L627 HydrophobicContact CG2-CD1 4.12Å; L590-L627 HydrophobicContact CB-CB 3.95Å; L590-L627 HydrophobicContact CB-CD1 3.87Å; M591-L627 HydrophobicContact CE-CD1 4.38Å; M591-L627 HydrophobicContact CG-CD1 3.57Å; M591-L627 HydrophobicContact CG-CD2 4.05Å; M591-L627 HydrophobicContact CG-CG 4.48Å; T623-L627 HydrophobicContact CG2-CD1 3.88Å; T623-L627 HydrophobicContact CG2-CG 4.35Å; T623-L627 WeakPolarHBondContact O-CB 3.48Å; T623-L627 VanDerWaalsContact O-CG 3.3Å; T623-L627 WeakPolarHBondContact O-CG 3.45Å; T623-L627 PolarHBondContact O-N 3.21Å; Q624-L627 PolarHBondContact O-N 3.25Å; L627-T629 VanDerWaalsContact C-N 3.26Å; L627-T629 PolarHBondContact O-N 3.11Å; L627-E630 PolarHBondContact O-N 2.85Å; L627-I631 WeakPolarHBondContact O-CB 3.24Å; L627-I631 VanDerWaalsContact O-CG1 3.27Å; L627-I631 WeakPolarHBondContact O-CG1 3.37Å; L627-I631 PolarHBondContact O-N 3.44Å
628	L	95.5	Very high	94.1	Very high	19 Å²	19	65 Å²	65	10%	0.099	32%	0.322	C	S	.	.	H	α-helix	trans	-60	-38.1	173.4	-73.3	168.1	0	0	0	111.3	L590 L608 Q624 Q632	L590-L628 HydrophobicContact CD1-CD2 4.33Å; L590-L628 HydrophobicContact CD1-CG 4.13Å; L590-L628 HydrophobicContact CD2-CD2 4.02Å; L608-L628 HydrophobicContact CB-CD2 3.94Å; L608-L628 HydrophobicContact CD1-CD2 3.85Å; L608-L628 HydrophobicContact CG-CD2 4.49Å; Q624-L628 WeakPolarHBondContact O-CB 3.5Å; Q624-L628 VanDerWaalsContact O-CG 3.26Å; Q624-L628 WeakPolarHBondContact O-CG 3.16Å; Q624-L628 PolarHBondContact O-N 2.88Å; L628-Q632 WeakPolarHBondContact O-CB 3.43Å; L628-Q632 VanDerWaalsContact O-CG 3.25Å; L628-Q632 WeakPolarHBondContact O-CG 3.42Å; L628-Q632 PolarHBondContact O-N 2.55Å
629	T	95.3	Very high	94.5	Very high	73 Å²	73	62 Å²	62	45%	0.448	31%	0.309	S	S	.	.	H	α-helix	trans	-69.9	-40.3	175.9	-53.2	0	0	0	0	111.6	R625 A626 L627 Q632 N633	R625-T629 PolarHBondContact O-N 3.1Å; R625-T629 VanDerWaalsContact O-N 3.14Å; R625-T629 PolarHBondContact O-OG1 3.04Å; A626-T629 WeakPolarHBondContact O-CB 3.41Å; A626-T629 PolarHBondContact O-N 3.34Å; A626-T629 VanDerWaalsContact O-N 3.17Å; L627-T629 VanDerWaalsContact C-N 3.26Å; L627-T629 PolarHBondContact O-N 3.11Å; T629-Q632 PolarHBondContact O-N 2.8Å; T629-N633 WeakPolarHBondContact O-CB 3.3Å; T629-N633 PolarHBondContact O-N 3.38Å; T629-N633 PolarHBondContact O-ND2 3.06Å
630	E	96.1	Very high	94.8	Very high	80 Å²	80	63.3 Å²	63.3	37%	0.374	31%	0.31	S	S	.	.	H	α-helix	trans	-63.8	-45.7	175.4	-169.2	178.7	-149.1	0	0	111.8	S594 K598 A626 L627 N633 G634	S594-E630 PolarHBondContact OG-OE2 3.47Å; K598-E630 WeakPolarHBondContact CE-OE1 3.37Å; K598-E630 IonicContact NZ-OE1 2.68Å; K598-E630 PolarHBondContact NZ-OE1 3.17Å; K598-E630 IonicContact NZ-OE2 3.18Å; K598-E630 PolarHBondContact NZ-OE2 2.86Å; A626-E630 PolarHBondContact O-N 2.83Å; L627-E630 PolarHBondContact O-N 2.85Å; E630-N633 CarbonylContact O-C 3.47Å; E630-N633 PolarHBondContact O-N 3.41Å; E630-N633 VanDerWaalsContact O-N 3.16Å; E630-G634 PolarHBondContact O-N 3.4Å
631	I	95.9	Very high	94.8	Very high	3 Å²	3	62.6 Å²	62.6	2%	0.015	31%	0.31	C	S	.	.	H	α-helix	trans	-56.9	-50.1	173.7	-75.6	166	0	0	0	110.9	L590 L593 L597 L606 L608 L627 N633 G634 C635	L590-I631 HydrophobicContact CB-CD1 4.41Å; L590-I631 HydrophobicContact CD2-CD1 4Å; L593-I631 HydrophobicContact CB-CD1 4Å; L597-I631 HydrophobicContact CD1-CB 4.19Å; L597-I631 HydrophobicContact CD1-CG1 4.21Å; L597-I631 HydrophobicContact CD1-CG2 3.75Å; L606-I631 HydrophobicContact CB-CG2 4.32Å; L606-I631 HydrophobicContact CD2-CG2 3.86Å; L606-I631 HydrophobicContact CG-CG2 4.3Å; L608-I631 HydrophobicContact CD1-CD1 4.06Å; L608-I631 HydrophobicContact CD1-CG2 4.07Å; L627-I631 WeakPolarHBondContact O-CB 3.24Å; L627-I631 VanDerWaalsContact O-CG1 3.27Å; L627-I631 WeakPolarHBondContact O-CG1 3.37Å; L627-I631 PolarHBondContact O-N 3.44Å; I631-N633 VanDerWaalsContact C-N 3.27Å; I631-N633 PolarHBondContact O-N 3.01Å; I631-G634 PolarHBondContact O-N 3.27Å; I631-G634 VanDerWaalsContact O-N 3.15Å; I631-C635 PolarHBondContact O-N 2.99Å
632	Q	95.6	Very high	94.9	Very high	104 Å²	104	62.1 Å²	62.1	49%	0.486	31%	0.314	S	S	.	.	H	α-helix	trans	-60	-37.2	176.7	-75.4	174.2	21	0	0	112.3	L628 T629 C635 K636	L628-Q632 WeakPolarHBondContact O-CB 3.43Å; L628-Q632 VanDerWaalsContact O-CG 3.25Å; L628-Q632 WeakPolarHBondContact O-CG 3.42Å; L628-Q632 PolarHBondContact O-N 2.55Å; T629-Q632 PolarHBondContact O-N 2.8Å; Q632-C635 PolarHBondContact O-N 3.46Å; Q632-K636 VanDerWaalsContact O-CG 3.25Å; Q632-K636 WeakPolarHBondContact O-CG 3.48Å; Q632-K636 PolarHBondContact O-N 2.8Å
633	N	95.4	Very high	95	Very high	77 Å²	77	60.4 Å²	60.4	41%	0.412	30%	0.304	S	S	.	.	H	α-helix	trans	-73.9	-31.8	177.5	-67.9	-16.9	0	0	0	112.2	T629 E630 I631 K636 R637	T629-N633 WeakPolarHBondContact O-CB 3.3Å; T629-N633 PolarHBondContact O-N 3.38Å; T629-N633 PolarHBondContact O-ND2 3.06Å; E630-N633 CarbonylContact O-C 3.47Å; E630-N633 PolarHBondContact O-N 3.41Å; E630-N633 VanDerWaalsContact O-N 3.16Å; I631-N633 VanDerWaalsContact C-N 3.27Å; I631-N633 PolarHBondContact O-N 3.01Å; N633-K636 PolarHBondContact O-N 3.38Å; N633-K636 PolarHBondContact OD1-NZ 3.18Å; N633-R637 WeakPolarHBondContact O-CB 3.35Å; N633-R637 PolarHBondContact O-N 3.14Å
634	G	95.8	Very high	95	Very high	10 Å²	10	62.8 Å²	62.8	10%	0.103	31%	0.312	C	S	.	.	H	α-helix	trans	-61.1	-46.7	168.2	0	0	0	0	0	112.5	E630 I631 R637 N638	E630-G634 PolarHBondContact O-N 3.4Å; I631-G634 PolarHBondContact O-N 3.27Å; I631-G634 VanDerWaalsContact O-N 3.15Å; G634-R637 WeakPolarHBondContact O-CB 3.44Å; G634-R637 PolarHBondContact O-N 3.17Å; G634-N638 PolarHBondContact O-N 2.76Å
635	C	95.6	Very high	94.9	Very high	10 Å²	10	69.3 Å²	69.3	7%	0.068	34%	0.34	C	S	.	.	H	α-helix	trans	-63.1	-41.7	174.2	-73.1	0	0	0	0	112.9	L604 I631 Q632 R637 N638 F639	L604-C635 WeakPolarHBondContact O-CB 3.17Å; I631-C635 PolarHBondContact O-N 2.99Å; Q632-C635 PolarHBondContact O-N 3.46Å; C635-R637 PolarHBondContact O-N 3.01Å; C635-N638 PolarHBondContact O-N 2.98Å; C635-F639 PolarHBondContact O-N 3.04Å
636	K	96	Very high	94.8	Very high	110 Å²	110	65.4 Å²	65.4	48%	0.478	33%	0.328	S	S	.	.	H	α-helix	trans	-61.7	-41.6	173.7	-69.9	166.1	-157.4	161.7	0	112.3	Q632 N633 F639 I640	Q632-K636 VanDerWaalsContact O-CG 3.25Å; Q632-K636 WeakPolarHBondContact O-CG 3.48Å; Q632-K636 PolarHBondContact O-N 2.8Å; N633-K636 PolarHBondContact O-N 3.38Å; N633-K636 PolarHBondContact OD1-NZ 3.18Å; K636-F639 PolarHBondContact O-N 3.02Å; K636-I640 WeakPolarHBondContact O-CG1 3.45Å; K636-I640 PolarHBondContact O-N 2.7Å
637	R	95.9	Very high	94.6	Very high	84 Å²	84	67.3 Å²	67.3	32%	0.317	33%	0.326	S	S	.	.	H	α-helix	trans	-58.8	-46.6	174.3	178.7	-170.3	66.1	73	-2.2	110.7	L597 N600 N601 N633 G634 C635 I640 L641	L597-R637 PolarHBondContact O-NH2 3.16Å; N600-R637 PolarHBondContact O-NH2 3.18Å; N600-R637 VanDerWaalsContact O-NH2 3.12Å; N601-R637 PolarHBondContact OD1-NH1 2.87Å; N601-R637 PolarHBondContact OD1-NH2 3.38Å; N633-R637 WeakPolarHBondContact O-CB 3.35Å; N633-R637 PolarHBondContact O-N 3.14Å; G634-R637 WeakPolarHBondContact O-CB 3.44Å; G634-R637 PolarHBondContact O-N 3.17Å; C635-R637 PolarHBondContact O-N 3.01Å; R637-I640 PolarHBondContact O-N 3.5Å; R637-L641 HydrophobicContact CG-CD1 4.05Å; R637-L641 VanDerWaalsContact NH1-CD1 3.33Å; R637-L641 VanDerWaalsContact O-CG 3.31Å; R637-L641 WeakPolarHBondContact O-CG 3.45Å; R637-L641 PolarHBondContact O-N 3.34Å
638	N	95.1	Very high	94.5	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-63.8	-39.9	176.6	-69.2	-5.9	0	0	0	112.3	N600 N601 L603 L604 G634 C635 L641 A642	N600-N638 PolarHBondContact O-ND2 3.42Å; N600-N638 VanDerWaalsContact O-ND2 3.14Å; N600-N638 PolarHBondContact O-OD1 2.97Å; N601-N638 WeakPolarHBondContact CA-OD1 3.42Å; L603-N638 WeakPolarHBondContact O-CB 3.22Å; L603-N638 PolarHBondContact O-ND2 3.27Å; L603-N638 VanDerWaalsContact O-ND2 3.08Å; L604-N638 HydrophobicContact CD2-CB 4.16Å; G634-N638 PolarHBondContact O-N 2.76Å; C635-N638 PolarHBondContact O-N 2.98Å; N638-L641 PolarHBondContact O-N 3.23Å; N638-A642 VanDerWaalsContact O-CB 3.3Å; N638-A642 WeakPolarHBondContact O-CB 3.49Å; N638-A642 PolarHBondContact O-N 3.3Å
639	F	95.6	Very high	94.3	Very high	119 Å²	119	73.5 Å²	73.5	52%	0.522	36%	0.36	S	S	.	.	H	α-helix	trans	-61.3	-43.9	174.4	179.4	-94.8	0	0	0	112.9	C635 K636 A642 K643	C635-F639 PolarHBondContact O-N 3.04Å; K636-F639 PolarHBondContact O-N 3.02Å; F639-A642 PolarHBondContact O-N 3.34Å; F639-K643 PolarHBondContact O-N 3.09Å
640	I	95.1	Very high	94.1	Very high	90 Å²	90	74.5 Å²	74.5	46%	0.462	36%	0.36	S	S	.	.	H	α-helix	trans	-63.5	-50	175.7	-67.4	164.2	0	0	0	110.3	K636 R637 A642 K643 E644	K636-I640 WeakPolarHBondContact O-CG1 3.45Å; K636-I640 PolarHBondContact O-N 2.7Å; R637-I640 PolarHBondContact O-N 3.5Å; I640-A642 VanDerWaalsContact C-N 3.28Å; I640-A642 PolarHBondContact O-N 2.96Å; I640-K643 PolarHBondContact O-N 2.89Å; I640-K643 VanDerWaalsContact O-N 3.1Å; I640-E644 HydrophobicContact CG2-CG 4.2Å; I640-E644 WeakPolarHBondContact CG2-OE1 3.5Å; I640-E644 WeakPolarHBondContact O-CG 3.44Å; I640-E644 PolarHBondContact O-N 3.14Å
641	L	92.9	Very high	93.8	Very high	72 Å²	72	78.2 Å²	78.2	38%	0.377	37%	0.374	S	S	.	.	H	α-helix	trans	-60.5	-35.3	178.6	-70.4	168.9	0	0	0	112.9	R637 N638 K645	R637-L641 HydrophobicContact CG-CD1 4.05Å; R637-L641 VanDerWaalsContact NH1-CD1 3.33Å; R637-L641 VanDerWaalsContact O-CG 3.31Å; R637-L641 WeakPolarHBondContact O-CG 3.45Å; R637-L641 PolarHBondContact O-N 3.34Å; N638-L641 PolarHBondContact O-N 3.23Å; L641-K645 VanDerWaalsContact O-CB 3.26Å; L641-K645 WeakPolarHBondContact O-CB 3.48Å; L641-K645 PolarHBondContact O-N 3.26Å
642	A	91.9	Very high	93.4	Very high	39 Å²	39	84.1 Å²	84.1	32%	0.322	40%	0.404	S	S	.	.	H	α-helix	trans	-67.5	-41.6	174.9	0	0	0	0	0	111.9	L604 N638 F639 I640 K645 E646	L604-A642 HydrophobicContact CD2-CB 3.92Å; N638-A642 VanDerWaalsContact O-CB 3.3Å; N638-A642 WeakPolarHBondContact O-CB 3.49Å; N638-A642 PolarHBondContact O-N 3.3Å; F639-A642 PolarHBondContact O-N 3.34Å; I640-A642 VanDerWaalsContact C-N 3.28Å; I640-A642 PolarHBondContact O-N 2.96Å; A642-K645 PolarHBondContact O-N 3.37Å; A642-E646 PolarHBondContact O-N 2.78Å
643	K	93.6	Very high	93.1	Very high	106 Å²	106	83.7 Å²	83.7	46%	0.461	40%	0.4	S	S	.	.	H	α-helix	trans	-68.6	-45	176.9	-173.3	173.2	-174.1	-72.1	0	112.2	F639 I640 K645 E646 E647	F639-K643 PolarHBondContact O-N 3.09Å; I640-K643 PolarHBondContact O-N 2.89Å; I640-K643 VanDerWaalsContact O-N 3.1Å; K643-K645 VanDerWaalsContact C-N 3.3Å; K643-K645 PolarHBondContact O-N 3.04Å; K643-E646 PolarHBondContact O-N 3.39Å; K643-E647 IonicContact NZ-OE1 2.74Å; K643-E647 PolarHBondContact NZ-OE1 2.78Å; K643-E647 WeakPolarHBondContact O-CG 3.31Å; K643-E647 PolarHBondContact O-N 3.18Å
644	E	94.4	Very high	92.6	Very high	100 Å²	100	85.7 Å²	85.7	47%	0.467	41%	0.41	S	S	.	.	H	α-helix	trans	-58.4	-43.2	173.6	-72.3	174.1	171	0	0	111.1	I640 E647 T648	I640-E644 HydrophobicContact CG2-CG 4.2Å; I640-E644 WeakPolarHBondContact CG2-OE1 3.5Å; I640-E644 WeakPolarHBondContact O-CG 3.44Å; I640-E644 PolarHBondContact O-N 3.14Å; E644-E647 PolarHBondContact O-N 3.46Å; E644-T648 WeakPolarHBondContact O-CG2 3.39Å; E644-T648 PolarHBondContact O-N 2.89Å; E644-T648 PolarHBondContact O-OG1 2.74Å
645	K	91.4	Very high	92.1	Very high	138 Å²	138	88.7 Å²	88.7	60%	0.6	43%	0.429	S	S	*	.	H	α-helix	trans	-61	-47.1	175	-175.4	-175.6	173.9	-170	0	111.6	L641 A642 K643 T648 E649	L641-K645 VanDerWaalsContact O-CB 3.26Å; L641-K645 WeakPolarHBondContact O-CB 3.48Å; L641-K645 PolarHBondContact O-N 3.26Å; A642-K645 PolarHBondContact O-N 3.37Å; K643-K645 VanDerWaalsContact C-N 3.3Å; K643-K645 PolarHBondContact O-N 3.04Å; K645-T648 WeakPolarHBondContact CA-OG1 3.46Å; K645-T648 PolarHBondContact O-N 2.68Å; K645-T648 PolarHBondContact O-OG1 3.43Å; K645-E649 PolarHBondContact O-N 3.32Å
646	E	91.4	Very high	91.5	Very high	65 Å²	65	90.7 Å²	90.7	30%	0.304	45%	0.446	S	S	.	.	H	α-helix	trans	-59.1	-47.5	177.3	179.7	160	-111.6	0	0	111.8	M1 A642 K643 T648 E649 E650	M1-E646 WeakPolarHBondContact CB-OE1 3.08Å; M1-E646 VanDerWaalsContact CG-OE1 3.28Å; M1-E646 WeakPolarHBondContact CG-OE1 3.48Å; M1-E646 PolarHBondContact N-OE1 3.07Å; M1-E646 PolarHBondContact N-OE2 3.31Å; A642-E646 PolarHBondContact O-N 2.78Å; K643-E646 PolarHBondContact O-N 3.39Å; E646-T648 VanDerWaalsContact C-N 3.31Å; E646-T648 PolarHBondContact O-N 2.9Å; E646-E649 PolarHBondContact O-N 3.48Å; E646-E650 HydrophobicContact CG-CG 4.5Å; E646-E650 WeakPolarHBondContact O-CG 3.29Å; E646-E650 PolarHBondContact O-N 2.94Å
647	E	92.9	Very high	90.6	Very high	99 Å²	99	88.2 Å²	88.2	46%	0.463	44%	0.443	S	S	.	.	H	α-helix	trans	-59.5	-38.6	175.1	-72.9	174.6	-163	0	0	112.5	K643 E644 K651	K643-E647 IonicContact NZ-OE1 2.74Å; K643-E647 PolarHBondContact NZ-OE1 2.78Å; K643-E647 WeakPolarHBondContact O-CG 3.31Å; K643-E647 PolarHBondContact O-N 3.18Å; E644-E647 PolarHBondContact O-N 3.46Å; E647-K651 VanDerWaalsContact O-CB 3.22Å; E647-K651 WeakPolarHBondContact O-CB 3.26Å; E647-K651 PolarHBondContact O-N 3.47Å
648	T	92.8	Very high	89.3	Confident	75 Å²	75	91 Å²	91	46%	0.46	46%	0.461	S	S	.	.	H	α-helix	trans	-69	-34.6	173.8	59.8	0	0	0	0	113	E644 K645 E646 M652	E644-T648 WeakPolarHBondContact O-CG2 3.39Å; E644-T648 PolarHBondContact O-N 2.89Å; E644-T648 PolarHBondContact O-OG1 2.74Å; K645-T648 WeakPolarHBondContact CA-OG1 3.46Å; K645-T648 PolarHBondContact O-N 2.68Å; K645-T648 PolarHBondContact O-OG1 3.43Å; E646-T648 VanDerWaalsContact C-N 3.31Å; E646-T648 PolarHBondContact O-N 2.9Å; T648-M652 WeakPolarHBondContact O-CB 3.45Å; T648-M652 VanDerWaalsContact O-CG 3.25Å; T648-M652 WeakPolarHBondContact O-CG 3.15Å; T648-M652 PolarHBondContact O-N 2.79Å
649	E	91.9	Very high	87.9	Confident	90 Å²	90	93.6 Å²	93.6	42%	0.421	48%	0.483	S	S	.	.	H	α-helix	trans	-72.7	-40.9	178.7	-162.5	-174.4	121.9	0	0	111.4	K645 E646 M652 K653	K645-E649 PolarHBondContact O-N 3.32Å; E646-E649 PolarHBondContact O-N 3.48Å; E649-M652 PolarHBondContact O-N 3.03Å; E649-K653 VanDerWaalsContact O-CG 3.31Å; E649-K653 WeakPolarHBondContact O-CG 3.41Å; E649-K653 PolarHBondContact O-N 2.89Å; E649-K653 WeakPolarHBondContact OE1-CE 3.49Å; E649-K653 IonicContact OE1-NZ 3.8Å; E649-K653 PolarHBondContact OE1-NZ 3.4Å
650	E	90.1	Very high	86.1	Confident	94 Å²	94	94.2 Å²	94.2	44%	0.439	49%	0.487	S	S	.	.	H	α-helix	trans	-62.5	-44.6	171.4	-70.7	-179	176.2	0	0	111	E646 M652 K653 L654	E646-E650 HydrophobicContact CG-CG 4.5Å; E646-E650 WeakPolarHBondContact O-CG 3.29Å; E646-E650 PolarHBondContact O-N 2.94Å; E650-M652 PolarHBondContact O-N 2.86Å; E650-K653 PolarHBondContact O-N 3.38Å; E650-L654 WeakPolarHBondContact O-CG 3.47Å; E650-L654 PolarHBondContact O-N 3.27Å
651	K	91.1	Very high	84.4	Confident	157 Å²	157	95.1 Å²	95.1	68%	0.683	49%	0.492	S	S	*	.	H	α-helix	trans	-63	-37.8	174.6	-173.1	172.8	-177.7	175.1	0	113	E647 S655	E647-K651 VanDerWaalsContact O-CB 3.22Å; E647-K651 WeakPolarHBondContact O-CB 3.26Å; E647-K651 PolarHBondContact O-N 3.47Å; K651-S655 WeakPolarHBondContact O-CB 3.34Å; K651-S655 PolarHBondContact O-N 3.33Å; K651-S655 PolarHBondContact O-OG 3.2Å
652	M	88.1	Confident	82.6	Confident	128 Å²	128	95.6 Å²	95.6	63%	0.631	51%	0.507	S	S	*	.	H	α-helix	trans	-63.5	-47.3	173.7	-78.8	175.3	-173.4	0	0	111.2	T648 E649 E650 L654 S655 A656	T648-M652 WeakPolarHBondContact O-CB 3.45Å; T648-M652 VanDerWaalsContact O-CG 3.25Å; T648-M652 WeakPolarHBondContact O-CG 3.15Å; T648-M652 PolarHBondContact O-N 2.79Å; E649-M652 PolarHBondContact O-N 3.03Å; E650-M652 PolarHBondContact O-N 2.86Å; M652-L654 PolarHBondContact O-N 3.25Å; M652-S655 WeakPolarHBondContact CA-OG 3.31Å; M652-S655 PolarHBondContact O-N 2.81Å; M652-S655 PolarHBondContact O-OG 3.28Å; M652-A656 WeakPolarHBondContact O-CB 3.38Å; M652-A656 PolarHBondContact O-N 3.09Å
653	K	88	Confident	80.7	Confident	95 Å²	95	99.3 Å²	99.3	41%	0.413	53%	0.525	S	S	.	.	H	α-helix	trans	-58	-46.1	176.4	-71.5	163.3	-173.5	160.7	0	112.1	E649 E650 S655 A656 S657	E649-K653 VanDerWaalsContact O-CG 3.31Å; E649-K653 WeakPolarHBondContact O-CG 3.41Å; E649-K653 PolarHBondContact O-N 2.89Å; E649-K653 WeakPolarHBondContact OE1-CE 3.49Å; E649-K653 IonicContact OE1-NZ 3.8Å; E649-K653 PolarHBondContact OE1-NZ 3.4Å; E650-K653 PolarHBondContact O-N 3.38Å; K653-S655 PolarHBondContact O-N 3.38Å; K653-A656 PolarHBondContact O-N 3.03Å; K653-S657 PolarHBondContact O-N 3.07Å
654	L	85.6	Confident	78.7	Confident	119 Å²	119	102 Å²	102	62%	0.623	54%	0.539	S	S	*	.	H	α-helix	trans	-59.6	-45.2	174.9	-71.3	168.4	0	0	0	111.6	E650 M652 A656 S657 M658	E650-L654 WeakPolarHBondContact O-CG 3.47Å; E650-L654 PolarHBondContact O-N 3.27Å; M652-L654 PolarHBondContact O-N 3.25Å; L654-A656 VanDerWaalsContact C-N 3.34Å; L654-A656 PolarHBondContact O-N 3.4Å; L654-S657 PolarHBondContact O-N 2.9Å; L654-M658 WeakPolarHBondContact O-CG 3.31Å; L654-M658 PolarHBondContact O-N 3.19Å
655	S	85.4	Confident	76.3	Confident	72 Å²	72	104.2 Å²	104.2	50%	0.503	55%	0.554	S	S	.	*	H	α-helix	trans	-68.2	-29.6	178.1	68.2	0	0	0	0	114.1	K651 M652 K653 A659	K651-S655 WeakPolarHBondContact O-CB 3.34Å; K651-S655 PolarHBondContact O-N 3.33Å; K651-S655 PolarHBondContact O-OG 3.2Å; M652-S655 WeakPolarHBondContact CA-OG 3.31Å; M652-S655 PolarHBondContact O-N 2.81Å; M652-S655 PolarHBondContact O-OG 3.28Å; K653-S655 PolarHBondContact O-N 3.38Å; S655-A659 PolarHBondContact O-N 3.27Å
656	A	82.3	Confident	74.2	Confident	52 Å²	52	100.8 Å²	100.8	43%	0.43	56%	0.558	S	S	.	*	H	α-helix	trans	-71.9	-46.8	174.5	0	0	0	0	0	111.1	M652 K653 L654 M658 A659 E660	M652-A656 WeakPolarHBondContact O-CB 3.38Å; M652-A656 PolarHBondContact O-N 3.09Å; K653-A656 PolarHBondContact O-N 3.03Å; L654-A656 VanDerWaalsContact C-N 3.34Å; L654-A656 PolarHBondContact O-N 3.4Å; A656-M658 VanDerWaalsContact C-N 3.33Å; A656-M658 PolarHBondContact O-N 2.93Å; A656-A659 WeakPolarHBondContact O-CA 3.26Å; A656-A659 WeakPolarHBondContact O-CB 3.48Å; A656-A659 PolarHBondContact O-N 3.47Å; A656-E660 PolarHBondContact O-N 2.95Å
657	S	76.5	Confident	71.7	Confident	59 Å²	59	103.8 Å²	103.8	41%	0.413	58%	0.581	S	S	.	*	H	α-helix	trans	-59.9	-41.3	175.8	176.7	0	0	0	0	112.1	K653 L654 A659 E660 I661	K653-S657 PolarHBondContact O-N 3.07Å; L654-S657 PolarHBondContact O-N 2.9Å; S657-A659 VanDerWaalsContact C-N 3.26Å; S657-A659 PolarHBondContact O-N 3.16Å; S657-E660 PolarHBondContact O-N 3.24Å; S657-I661 WeakPolarHBondContact O-CG1 3.33Å; S657-I661 PolarHBondContact O-N 2.87Å; S657-I661 VanDerWaalsContact O-N 3.14Å
658	M	68.6	Low	69	Low	141 Å²	141	108.5 Å²	108.5	70%	0.695	60%	0.595	S	S	*	*	H	α-helix	trans	-63.6	-28.6	172.5	-71.7	-174.3	75.3	0	0	113.5	L654 A656 A662	L654-M658 WeakPolarHBondContact O-CG 3.31Å; L654-M658 PolarHBondContact O-N 3.19Å; A656-M658 VanDerWaalsContact C-N 3.33Å; A656-M658 PolarHBondContact O-N 2.93Å; M658-A662 WeakPolarHBondContact O-CB 3.4Å; M658-A662 PolarHBondContact O-N 2.87Å
659	A	65.7	Low	66.3	Low	55 Å²	55	112.4 Å²	112.4	46%	0.455	61%	0.608	S	S	.	*	H	α-helix	trans	-78.8	-34.2	177.2	0	0	0	0	0	112.6	S655 A656 S657 A662 T663	S655-A659 PolarHBondContact O-N 3.27Å; A656-A659 WeakPolarHBondContact O-CA 3.26Å; A656-A659 WeakPolarHBondContact O-CB 3.48Å; A656-A659 PolarHBondContact O-N 3.47Å; S657-A659 VanDerWaalsContact C-N 3.26Å; S657-A659 PolarHBondContact O-N 3.16Å; A659-A662 PolarHBondContact O-N 3.3Å; A659-T663 PolarHBondContact O-N 2.98Å
660	E	58.6	Low	63.7	Low	132 Å²	132	117.3 Å²	117.3	62%	0.617	63%	0.631	S	S	*	*	H	α-helix	trans	-65.3	-47	173.7	-70.5	173.9	144	0	0	110.9	A656 S657 A662 T663 E664	A656-E660 PolarHBondContact O-N 2.95Å; S657-E660 PolarHBondContact O-N 3.24Å; E660-A662 VanDerWaalsContact C-N 3.25Å; E660-A662 PolarHBondContact O-N 3.06Å; E660-T663 WeakPolarHBondContact O-CA 3.13Å; E660-T663 PolarHBondContact O-N 3.35Å; E660-T663 PolarHBondContact O-OG1 3.47Å; E660-E664 PolarHBondContact O-N 3.37Å
661	I	59	Low	61	Low	110 Å²	110	121.7 Å²	121.7	56%	0.564	65%	0.651	S	S	*	*	H	α-helix	trans	-56.3	-41	175	-65	164	0	0	0	111.1	S657 T663 E664 D665	S657-I661 WeakPolarHBondContact O-CG1 3.33Å; S657-I661 PolarHBondContact O-N 2.87Å; S657-I661 VanDerWaalsContact O-N 3.14Å; I661-T663 PolarHBondContact O-N 3.08Å; I661-T663 VanDerWaalsContact O-N 3.09Å; I661-E664 PolarHBondContact O-N 3.08Å; I661-D665 PolarHBondContact O-N 3.39Å
662	A	55.3	Low	58.2	Low	82 Å²	82	123.5 Å²	123.5	68%	0.678	66%	0.662	S	S	*	*	H	α-helix	trans	-68.7	-1.6	176.5	0	0	0	0	0	114.7	M658 A659 E660	M658-A662 WeakPolarHBondContact O-CB 3.4Å; M658-A662 PolarHBondContact O-N 2.87Å; A659-A662 PolarHBondContact O-N 3.3Å; E660-A662 VanDerWaalsContact C-N 3.25Å; E660-A662 PolarHBondContact O-N 3.06Å
663	T	52.9	Low	55.6	Low	116 Å²	116	125.1 Å²	125.1	71%	0.712	67%	0.674	S	S	*	*	H	α-helix	trans	-112.5	-14.1	173.5	56.6	0	0	0	0	114.6	A659 E660 I661	A659-T663 PolarHBondContact O-N 2.98Å; E660-T663 WeakPolarHBondContact O-CA 3.13Å; E660-T663 PolarHBondContact O-N 3.35Å; E660-T663 PolarHBondContact O-OG1 3.47Å; I661-T663 PolarHBondContact O-N 3.08Å; I661-T663 VanDerWaalsContact O-N 3.09Å
664	E	51.7	Low	52.9	Low	162 Å²	162	129.5 Å²	129.5	76%	0.757	70%	0.695	S	S	*	*	H	α-helix	trans	-103.3	-10.4	179.1	-64.3	-158.9	138.5	0	0	114.5	E660 I661 G666	E660-E664 PolarHBondContact O-N 3.37Å; I661-E664 PolarHBondContact O-N 3.08Å; E664-G666 PolarHBondContact O-N 3.21Å
665	D	43.5	Very low	51.3	Low	147 Å²	147	128.7 Å²	128.7	79%	0.786	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	61	169	-166.7	12.8	0	0	0	112.3	I661	I661-D665 PolarHBondContact O-N 3.39Å
666	G	46.8	Very low	48.7	Very low	66 Å²	66	129.3 Å²	129.3	68%	0.68	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.9	-10.8	168.8	0	0	0	0	0	112.9	E664	E664-G666 PolarHBondContact O-N 3.21Å
667	T	39.9	Very low	46.1	Very low	128 Å²	128	132.2 Å²	132.2	79%	0.785	72%	0.724	S	S	*	*	S	Bend	trans	-161.3	113.7	168.2	26.7	0	0	0	0	112.5
668	R	35.3	Very low	44	Very low	199 Å²	199	133.6 Å²	133.6	75%	0.751	74%	0.739	S	S	*	*				117.9	99.6	115	-166.9	172.3	-163.4	152.4	17.9	119.2
669	E	36.8	Very low	42.2	Very low	157 Å²	157	133.6 Å²	133.6	73%	0.734	74%	0.737	S	S	*	*			trans	66.7	139.2	135.8	-59.4	171.1	152.1	0	0	119.2
670	E	37.6	Very low	40.4	Very low	193 Å²	193	140.1 Å²	140.1	90%	0.902	75%	0.75	S	S	*	*			trans	-95.9	-165	-169.8	-58.4	167.5	130.1	0	0	112.8
671	E	31.7	Very low	39.1	Very low	186 Å²	186	141 Å²	141	87%	0.869	75%	0.752	S	S	*	*			trans	89.6	88.9	-176.1	-57.7	-176.8	-172.8	0	0	113.6
672	E	32.6	Very low	37.6	Very low	194 Å²	194	143.3 Å²	143.3	91%	0.907	76%	0.76	S	S	*	*				85.7	134.8	66.1	-71.4	-162.3	154.1	0	0	114.5
673	D	34.2	Very low	36.2	Very low	163 Å²	163	142.4 Å²	142.4	87%	0.872	76%	0.759	S	S	*	*			trans	-85.3	154.8	-172.7	-68.8	-74.2	0	0	0	114.4
674	E	30.8	Very low	35	Very low	186 Å²	186	145.8 Å²	145.8	87%	0.869	77%	0.767	S	S	*	*			trans	-173.4	162	130.9	-99.6	-75.7	99.9	0	0	109.9
675	P	53.3	Low	34	Very low	103 Å²	103	145.4 Å²	145.4	67%	0.669	77%	0.765	S	S	*	*			trans	-108.6	-177.6	-164.4	41.6	-36.8	0	0	0	115.9
676	A	29.2	Very low	33.3	Very low	84 Å²	84	147.2 Å²	147.2	69%	0.694	77%	0.768	S	S	*	*			trans	104.5	130.5	145.7	0	0	0	0	0	121
677	S	28	Very low	32.3	Very low	114 Å²	114	147.8 Å²	147.8	80%	0.797	78%	0.775	S	S	*	*			trans	79.7	133.9	139	75.9	0	0	0	0	122.4
678	A	32.8	Very low	31.6	Very low	88 Å²	88	149.7 Å²	149.7	73%	0.727	78%	0.775	S	S	*	*			trans	68.7	123.1	133.3	0	0	0	0	0	122.9
679	E	30.2	Very low	31.8	Very low	141 Å²	141	145.1 Å²	145.1	66%	0.659	77%	0.771	S	S	*	*			trans	61.2	107	132.6	-62.7	-121.5	113.9	0	0	122.1
680	R	29.4	Very low	31.3	Very low	191 Å²	191	142.3 Å²	142.3	72%	0.721	77%	0.765	S	S	*	*				80.8	129	125.9	-64.1	-179.4	-166.1	-177.3	18.1	121.9
681	K	29.5	Very low	30.8	Very low	152 Å²	152	140.8 Å²	140.8	66%	0.661	76%	0.758	S	S	*	*			trans	86.3	135	130.8	-89.6	179.6	158.2	-123.3	0	120.5
682	E	28.2	Very low	30.6	Very low	157 Å²	157	138 Å²	138	73%	0.734	75%	0.749	S	S	*	*			trans	63.3	127.5	144.6	-71.6	151.5	-165.3	0	0	117.6
683	G	25.1	Very low	30.5	Very low	63 Å²	63	132.9 Å²	132.9	65%	0.649	74%	0.739	S	S	*	*			cis	163.3	171.6	-3.2	0	0	0	0	0	111.2
684	E	29.7	Very low	30.2	Very low	187 Å²	187	130 Å²	130	87%	0.874	73%	0.732	S	S	*	*			trans	66	150.8	158.4	-62.9	167.7	178.8	0	0	116.1
685	E	30.1	Very low	30.1	Very low	154 Å²	154	129.6 Å²	129.6	72%	0.72	73%	0.73	S	S	*	*			cis	-155.7	166.2	-6.3	-127.6	179.6	-178.9	0	0	111.6
686	E	28.3	Very low	28.8	Very low	185 Å²	185	130 Å²	130	86%	0.864	73%	0.731	S	S	*	*			trans	35.9	150.6	155.8	-52.7	-145.8	131.6	0	0	124
687	G	26	Very low	28.8	Very low	79 Å²	79	133 Å²	133	81%	0.814	74%	0.735	S	S	*	*			trans	165.9	34.7	168.1	0	0	0	0	0	119.6
688	E	24.8	Very low	28.8	Very low	168 Å²	168	133.5 Å²	133.5	79%	0.785	74%	0.739	S	S	*	*			trans	-66.3	164.8	168.9	-115.1	-147.1	-129.4	0	0	111.5	T690	E688-T690 PolarHBondContact OE2-N 2.88Å
689	P	39.3	Very low	28.7	Very low	103 Å²	103	136 Å²	136	67%	0.669	74%	0.744	S	S	*	*			cis	-151.6	168.1	42.3	43.4	-21.8	0	0	0	121.1
690	T	27	Very low	28.8	Very low	98 Å²	98	133.4 Å²	133.4	60%	0.601	74%	0.742	S	S	*	*			trans	55.3	117.2	141.6	57.2	0	0	0	0	124	E688	E688-T690 PolarHBondContact OE2-N 2.88Å
691	E	27.8	Very low	28.8	Very low	161 Å²	161	132.7 Å²	132.7	75%	0.752	75%	0.747	S	S	*	*				88.4	146.5	118.6	-76	-166.5	-165.2	0	0	125.7
692	N	26.9	Very low	28.9	Very low	128 Å²	128	130.8 Å²	130.8	68%	0.684	75%	0.749	S	S	*	*			trans	78.4	81.3	147.9	-66.9	-34.4	0	0	0	123.2
693	A	29.7	Very low	29.2	Very low	86 Å²	86	128.5 Å²	128.5	71%	0.711	75%	0.75	S	S	*	*				71.2	165.6	102.6	0	0	0	0	0	123.1
694	S	27.5	Very low	30.8	Very low	103 Å²	103	131 Å²	131	72%	0.72	75%	0.754	S	S	*	*			trans	68.8	90.6	163.3	43.7	0	0	0	0	120.8
695	Q	30.4	Very low	30.8	Very low	176 Å²	176	128.6 Å²	128.6	82%	0.822	75%	0.747	S	S	*	*				66.1	144.5	107.9	-79.2	-177.5	-28.5	0	0	123.9
696	T	25.4	Very low	30.8	Very low	112 Å²	112	126.3 Å²	126.3	69%	0.687	74%	0.744	S	S	*	*			trans	71.4	110	147.5	47	0	0	0	0	121.1
697	D	29.1	Very low	31.1	Very low	146 Å²	146	123.6 Å²	123.6	78%	0.781	74%	0.741	S	S	*	*				41.8	125.8	118.7	-48.6	-32	0	0	0	120.7
698	S	28.4	Very low	31.3	Very low	126 Å²	126	124.5 Å²	124.5	88%	0.881	74%	0.74	S	S	*	*				-169.1	156.3	109	24.2	0	0	0	0	114.5
699	V	29.2	Very low	33.1	Very low	139 Å²	139	122.1 Å²	122.1	84%	0.842	74%	0.739	S	S	*	*			trans	-82.8	178.7	167.3	-128	0	0	0	0	108.9
700	S	33	Very low	34	Very low	88 Å²	88	123.4 Å²	123.4	62%	0.615	75%	0.748	S	S	*	*			cis	-174.2	162.5	12.9	33.6	0	0	0	0	111
701	E	28.9	Very low	34.2	Very low	175 Å²	175	122 Å²	122	82%	0.818	75%	0.753	S	S	*	*			trans	64.5	174.9	146.2	-75.2	174.2	-150.6	0	0	120.8
702	T	32.8	Very low	34.5	Very low	113 Å²	113	121.3 Å²	121.3	69%	0.693	75%	0.754	S	S	*	*				-159.7	165.7	-77.6	29.8	0	0	0	0	112.3
703	S	33	Very low	34.9	Very low	109 Å²	109	121.7 Å²	121.7	76%	0.762	76%	0.756	S	S	*	*			trans	73.7	167.3	157.9	-55.6	0	0	0	0	118.7
704	P	59.3	Low	35	Very low	114 Å²	114	124.5 Å²	124.5	74%	0.74	76%	0.759	S	S	*	*			cis	-134.3	-172.6	-18.4	27.9	-4.4	0	0	0	115.6
705	D	29.1	Very low	35.4	Very low	137 Å²	137	123.9 Å²	123.9	73%	0.733	75%	0.754	S	S	*	*				126.4	141.3	122.6	-127.5	-26.7	0	0	0	123.2
706	T	31.7	Very low	35.5	Very low	107 Å²	107	122.5 Å²	122.5	66%	0.656	75%	0.752	S	S	*	*			trans	27.9	121.5	157.5	26.3	0	0	0	0	129
707	T	33.2	Very low	35.7	Very low	128 Å²	128	121.7 Å²	121.7	79%	0.785	75%	0.751	S	S	*	*				37.5	134.4	128.5	60.4	0	0	0	0	125.8
708	A	30.8	Very low	35.7	Very low	97 Å²	97	121.6 Å²	121.6	80%	0.802	75%	0.751	S	S	*	*				176.1	148.5	119.9	0	0	0	0	0	115.3
709	P	63.3	Low	35.7	Very low	119 Å²	119	121 Å²	121	77%	0.773	74%	0.742	S	S	*	*			trans	-111.7	-160.5	174.6	45.3	-36.8	0	0	0	112.2
710	P	56.8	Low	35.7	Very low	129 Å²	129	122.9 Å²	122.9	84%	0.838	74%	0.742	S	S	*	*			cis	-136.5	-166.6	-7.3	44.9	-27.2	0	0	0	115.4
711	G	32.7	Very low	35.4	Very low	69 Å²	69	125.4 Å²	125.4	71%	0.711	75%	0.748	S	S	*	*			trans	156.6	103.5	148.2	0	0	0	0	0	122.5
712	N	33.1	Very low	35.4	Very low	147 Å²	147	125.5 Å²	125.5	79%	0.786	75%	0.749	S	S	*	*			trans	76.5	118.6	143.6	-78.7	20.4	0	0	0	126.2
713	L	34.9	Very low	35.1	Very low	136 Å²	136	123.3 Å²	123.3	71%	0.712	75%	0.749	S	S	*	*			trans	67.5	151.3	135.3	-51.8	171	0	0	0	120.1
714	D	31.8	Very low	34.8	Very low	145 Å²	145	126.9 Å²	126.9	78%	0.775	75%	0.753	S	S	*	*			cis	171	156	-26.2	-92.7	1.7	0	0	0	104.8
715	S	36.5	Very low	33.3	Very low	89 Å²	89	126.6 Å²	126.6	62%	0.622	75%	0.749	S	S	*	*			cis	-165.8	168.2	-25.2	-161.7	0	0	0	0	107.9
716	D	32.4	Very low	33.2	Very low	147 Å²	147	125.7 Å²	125.7	79%	0.786	75%	0.748	S	S	*	*			trans	67.1	154.6	157.7	-53.8	-7.7	0	0	0	118.5
717	S	30.4	Very low	33.1	Very low	95 Å²	95	127 Å²	127	66%	0.664	76%	0.756	S	S	*	*			cis	-168.6	145.9	-21.6	54.2	0	0	0	0	111.4
718	D	27.8	Very low	32.9	Very low	145 Å²	145	129.1 Å²	129.1	78%	0.775	76%	0.755	S	S	*	*			trans	49.3	151.2	142.4	-63.3	-37.8	0	0	0	125.6
719	T	30	Very low	32.8	Very low	113 Å²	113	129.7 Å²	129.7	69%	0.693	75%	0.753	S	S	*	*			trans	77	135.3	146.3	35	0	0	0	0	123.5
720	E	28	Very low	31.3	Very low	178 Å²	178	128.6 Å²	128.6	83%	0.832	75%	0.748	S	S	*	*			trans	67.2	162.1	151.7	-63.7	164	-165.1	0	0	115.5
721	D	27.1	Very low	31	Very low	141 Å²	141	128.7 Å²	128.7	75%	0.754	75%	0.748	S	S	*	*			cis	-150.2	-171	2.6	-155.8	7.8	0	0	0	112.3
722	E	28.8	Very low	31	Very low	178 Å²	178	130.9 Å²	130.9	83%	0.832	75%	0.748	S	S	*	*			trans	-38	167.2	163.9	-67.1	-84.3	132.7	0	0	119.2
723	G	27.1	Very low	30.9	Very low	67 Å²	67	130.2 Å²	130.2	69%	0.691	75%	0.749	S	S	*	*			trans	112.8	118.1	166.6	0	0	0	0	0	113.9
724	E	26.4	Very low	31	Very low	183 Å²	183	127.9 Å²	127.9	86%	0.855	74%	0.744	S	S	*	*			cis	78.2	145	29.3	-139.6	-146.5	179.1	0	0	116.2
725	V	27.4	Very low	31.1	Very low	108 Å²	108	127 Å²	127	66%	0.655	74%	0.739	S	S	*	*			trans	67.6	100.9	169.5	-168.2	0	0	0	0	116.2
726	V	28.2	Very low	31.3	Very low	118 Å²	118	131.2 Å²	131.2	72%	0.715	75%	0.749	S	S	*	*				73	113.7	60.3	-179.3	0	0	0	0	116.4
727	T	28	Very low	31	Very low	134 Å²	134	127.9 Å²	127.9	82%	0.822	75%	0.75	S	S	*	*			trans	-133.3	114.9	143.9	50.9	0	0	0	0	107.4
728	K	29.3	Very low	30.9	Very low	174 Å²	174	128.1 Å²	128.1	76%	0.757	76%	0.757	S	S	*	*				58.4	125.9	82.3	-67.5	179.1	178.6	171.7	0	112.1
729	S	28.7	Very low	32	Very low	109 Å²	109	126.7 Å²	126.7	76%	0.762	76%	0.756	S	S	*	*			cis	-145.8	144.1	27.2	-52.4	0	0	0	0	110.1
730	S	31.5	Very low	32.2	Very low	96 Å²	96	127.2 Å²	127.2	67%	0.671	76%	0.759	S	S	*	*				67	136.5	59.9	-47.7	0	0	0	0	113.1
731	P	50.9	Low	32.3	Very low	130 Å²	130	124.3 Å²	124.3	84%	0.844	76%	0.758	S	S	*	*				-100.2	-130.4	60.4	-15.2	35.6	0	0	0	119.4
732	V	34	Very low	32.4	Very low	116 Å²	116	126.2 Å²	126.2	70%	0.703	76%	0.763	S	S	*	*			trans	-155	146.3	-156.8	164.7	0	0	0	0	108.3	S734	V732-S734 WeakPolarHBondContact CG1-OG 3.46Å
733	V	29.3	Very low	33.7	Very low	133 Å²	133	122.5 Å²	122.5	81%	0.806	75%	0.754	S	S	*	*				-159.9	110.4	99.6	-179.8	0	0	0	0	108.8
734	S	37.3	Very low	35.2	Very low	87 Å²	87	124 Å²	124	61%	0.608	75%	0.752	S	S	*	*				68.2	140.3	85.8	-43.5	0	0	0	0	115.4	V732	V732-S734 WeakPolarHBondContact CG1-OG 3.46Å
735	N	35	Very low	35.3	Very low	126 Å²	126	123.1 Å²	123.1	67%	0.674	75%	0.751	S	S	*	*			cis	-164.6	134.1	19.5	-143.8	15.8	0	0	0	116.1
736	Q	39	Very low	35.3	Very low	177 Å²	177	123.5 Å²	123.5	83%	0.827	76%	0.759	S	S	*	*			trans	56.3	151.9	147.9	-66.4	169.8	52.8	0	0	122.4
737	G	26.1	Very low	35.5	Very low	78 Å²	78	122.5 Å²	122.5	80%	0.804	76%	0.763	S	S	*	*			cis	-162.8	-170.1	6.7	0	0	0	0	0	115.2
738	A	28.6	Very low	35.7	Very low	99 Å²	99	121.4 Å²	121.4	82%	0.818	76%	0.761	S	S	*	*			trans	-138.5	-150.4	-163.8	0	0	0	0	0	112.7
739	P	52.5	Low	35.7	Very low	115 Å²	115	124.7 Å²	124.7	75%	0.747	77%	0.769	S	S	*	*			cis	-150.5	-165	-2.6	32.6	-4.2	0	0	0	119.1
740	V	34	Very low	35.9	Very low	125 Å²	125	125.4 Å²	125.4	76%	0.758	77%	0.769	S	S	*	*			trans	83.7	122.9	150.9	-142.5	0	0	0	0	124.2
741	S	28.9	Very low	36.6	Very low	117 Å²	117	126.7 Å²	126.7	82%	0.818	78%	0.775	S	S	*	*				158.2	152.5	120	-67.8	0	0	0	0	117.3
742	Q	30.3	Very low	35.6	Very low	181 Å²	181	125.8 Å²	125.8	85%	0.846	77%	0.771	S	S	*	*			trans	-167.4	-177.9	179.7	-122.1	-164.5	24.5	0	0	109.6
743	P	54.5	Low	36.7	Very low	100 Å²	100	125.8 Å²	125.8	65%	0.649	77%	0.774	S	S	*	*			cis	-120.7	-125.4	-24.4	30.9	-6.6	0	0	0	108.6
744	P	59.4	Low	38.1	Very low	99 Å²	99	124.4 Å²	124.4	64%	0.643	77%	0.768	S	S	*	*			cis	-133.1	-156.7	-31	32.4	-8.3	0	0	0	114.3
745	L	28.3	Very low	37.6	Very low	163 Å²	163	125.7 Å²	125.7	85%	0.853	78%	0.776	S	S	*	*			trans	80.9	161.7	169.3	-43.8	179.5	0	0	0	115.9
746	S	27.6	Very low	37.3	Very low	116 Å²	116	124.4 Å²	124.4	81%	0.811	78%	0.783	S	S	*	*			cis	-154.5	156.1	0.2	-152.2	0	0	0	0	112.5
747	A	32.7	Very low	36.8	Very low	98 Å²	98	121.5 Å²	121.5	81%	0.81	78%	0.783	S	S	*	*			trans	-165.8	178.3	176.5	0	0	0	0	0	111.5
748	S	32.3	Very low	38.1	Very low	111 Å²	111	123.8 Å²	123.8	78%	0.776	78%	0.784	S	S	*	*			cis	-165	164.8	-5.2	-168.3	0	0	0	0	110
749	R	29.4	Very low	38.1	Very low	243 Å²	243	123.4 Å²	123.4	92%	0.917	78%	0.78	S	S	*	*			trans	-168	147.5	160.4	-115.3	166.1	-164.4	-107.3	-0.4	117.7
750	T	31.6	Very low	36.9	Very low	124 Å²	124	129.7 Å²	129.7	76%	0.761	79%	0.789	S	S	*	*			trans	-129.2	175.9	167	56.6	0	0	0	0	110.5
751	P	46.7	Very low	36.6	Very low	123 Å²	123	127.2 Å²	127.2	80%	0.799	78%	0.782	S	S	*	*				-155.2	175.7	105.3	40.1	-21	0	0	0	117.9
752	S	29.3	Very low	37	Very low	110 Å²	110	127.6 Å²	127.6	77%	0.769	78%	0.781	S	S	*	*			trans	-113.4	-152.7	177.8	-31.2	0	0	0	0	111
753	P	58.9	Low	37.2	Very low	117 Å²	117	122.6 Å²	122.6	76%	0.76	77%	0.771	S	S	*	*			cis	-122.9	-118.8	-22.6	28.7	-3	0	0	0	109.7
754	P	57.4	Low	36.3	Very low	104 Å²	104	124.9 Å²	124.9	68%	0.675	78%	0.777	S	S	*	*			cis	-135	-179.8	-39.8	37.5	-18.2	0	0	0	117.2
755	S	27.7	Very low	35	Very low	113 Å²	113	127.2 Å²	127.2	79%	0.79	78%	0.782	S	S	*	*			trans	74.6	149.7	144.6	70.9	0	0	0	0	122
756	A	28.5	Very low	35	Very low	99 Å²	99	124.2 Å²	124.2	82%	0.818	78%	0.775	S	S	*	*			cis	-163	170.7	-15.6	0	0	0	0	0	113.1
757	S	28.3	Very low	35	Very low	117 Å²	117	122.1 Å²	122.1	82%	0.818	77%	0.772	S	S	*	*			trans	-83.2	-168.7	-175.1	-26.3	0	0	0	0	113.8
758	P	54	Low	34.7	Very low	126 Å²	126	125.8 Å²	125.8	82%	0.818	78%	0.776	S	S	*	*			cis	-128.9	-154.9	29.7	35.1	-9.3	0	0	0	112.6
759	A	27.2	Very low	34.4	Very low	91 Å²	91	126.4 Å²	126.4	75%	0.752	78%	0.775	S	S	*	*			cis	-163	172.6	12.2	0	0	0	0	0	115
760	R	27.2	Very low	34.2	Very low	247 Å²	247	120.8 Å²	120.8	93%	0.932	77%	0.768	S	S	*	*			trans	75	109.9	157.2	-156.2	172.8	-165.2	-153.3	1.9	120
761	A	28.8	Very low	34	Very low	72 Å²	72	121.1 Å²	121.1	60%	0.595	77%	0.769	S	S	*	*			trans	-95.8	-167.4	166.7	0	0	0	0	0	111.1	A763	A761-A763 HydrophobicContact CB-CB 4.09Å
762	P	37.3	Very low	33.4	Very low	125 Å²	125	124.3 Å²	124.3	81%	0.812	77%	0.774	S	S	*	*			cis	-97.8	151.1	34	37.8	-36.6	0	0	0	114
763	A	33.3	Very low	33.1	Very low	76 Å²	76	124.5 Å²	124.5	63%	0.628	78%	0.775	S	S	*	*			cis	80.6	140.3	31.2	0	0	0	0	0	114.3	A761	A761-A763 HydrophobicContact CB-CB 4.09Å
764	L	36.5	Very low	31.9	Very low	148 Å²	148	127.9 Å²	127.9	78%	0.775	78%	0.783	S	S	*	*			cis	-157.8	-179.1	-18.2	-100.8	-179.4	0	0	0	104.6
765	I	31.2	Very low	30.6	Very low	148 Å²	148	129 Å²	129	76%	0.759	79%	0.787	S	S	*	*			cis	-159	171.5	13.2	-143.8	160.4	0	0	0	106.1
766	S	28.5	Very low	31	Very low	101 Å²	101	129.3 Å²	129.3	71%	0.706	79%	0.787	S	S	*	*				-150.3	169	-60.5	-82	0	0	0	0	107.8
767	G	27.6	Very low	31	Very low	71 Å²	71	129 Å²	129	73%	0.732	79%	0.785	S	S	*	*			trans	-127.6	173.8	172.6	0	0	0	0	0	112.8
768	I	28.1	Very low	31.3	Very low	175 Å²	175	129.2 Å²	129.2	90%	0.897	78%	0.783	S	S	*	*			trans	-135.8	141.1	171.6	-62.2	-176.5	0	0	0	109.5
769	T	25.6	Very low	30.3	Very low	124 Å²	124	128.5 Å²	128.5	76%	0.761	78%	0.779	S	S	*	*			trans	-88.9	164	178.5	49.7	0	0	0	0	112.2
770	V	25	Very low	30.5	Very low	126 Å²	126	127.6 Å²	127.6	76%	0.764	78%	0.778	S	S	*	*			trans	177.7	137.9	134.7	138.5	0	0	0	0	114.9
771	T	26.8	Very low	30.7	Very low	130 Å²	130	122.5 Å²	122.5	80%	0.798	78%	0.775	S	S	*	*			trans	49.5	142.2	158.8	56.7	0	0	0	0	124.6
772	E	33.4	Very low	31	Very low	190 Å²	190	124.9 Å²	124.9	89%	0.888	78%	0.784	S	S	*	*			trans	-65	150.3	151	-57.1	162.7	104.9	0	0	112.3
773	S	24.6	Very low	30.8	Very low	115 Å²	115	125 Å²	125	80%	0.804	78%	0.784	S	S	*	*			trans	-156.5	147.4	145.9	-167.3	0	0	0	0	110.1
774	M	32.7	Very low	30.6	Very low	188 Å²	188	126.7 Å²	126.7	93%	0.926	79%	0.792	S	S	*	*			trans	-131.4	105.2	-170.5	177.1	175.2	167.7	0	0	110.1
775	V	30.4	Very low	30.7	Very low	126 Å²	126	125.6 Å²	125.6	76%	0.764	79%	0.794	S	S	*	*			trans	-137.4	137.4	-179.4	-178.4	0	0	0	0	108.4
776	P	36	Very low	30.6	Very low	120 Å²	120	122.5 Å²	122.5	78%	0.779	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-90.1	162.6	-166.5	35.7	-37.1	0	0	0	114.8
777	A	29.5	Very low	30.6	Very low	93 Å²	93	129.3 Å²	129.3	77%	0.769	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-81.3	151.6	170.9	0	0	0	0	0	112.4
778	P	34	Very low	30.6	Very low	121 Å²	121	131.9 Å²	131.9	79%	0.786	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-82.2	159.3	-176.3	33.5	-36.4	0	0	0	114
779	P	33.6	Very low	30.5	Very low	112 Å²	112	131 Å²	131	73%	0.727	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-100.6	141.8	177.7	36.7	-31.4	0	0	0	113.7
780	G	29.5	Very low	30.5	Very low	72 Å²	72	130.2 Å²	130.2	74%	0.742	81%	0.809	S	S	*	*			trans	145.9	92.5	159.6	0	0	0	0	0	116.7
781	T	33.3	Very low	30.6	Very low	140 Å²	140	131.1 Å²	131.1	86%	0.859	82%	0.815	S	S	*	*			trans	-167	138.7	156.7	-0.5	0	0	0	0	109.9
782	P	34.9	Very low	30.7	Very low	121 Å²	121	130.1 Å²	130.1	79%	0.786	81%	0.813	S	S	*	*			trans	-86.9	147.2	-176.4	33.8	-34.6	0	0	0	113.2
783	P	31.6	Very low	30.6	Very low	127 Å²	127	126.7 Å²	126.7	83%	0.825	81%	0.81	S	S	*	*			trans	-102.4	120	-178.9	35.6	-30.8	0	0	0	114.5
784	S	29.4	Very low	31.1	Very low	113 Å²	113	127.7 Å²	127.7	79%	0.79	81%	0.814	S	S	*	*			trans	-165.5	147.2	161.7	59.2	0	0	0	0	112
785	P	39.8	Very low	30.9	Very low	124 Å²	124	122.4 Å²	122.4	81%	0.805	81%	0.807	S	S	*	*			cis	-131.4	140.9	-30.6	36	-20.5	0	0	0	113.9
786	G	28.3	Very low	31	Very low	83 Å²	83	127.3 Å²	127.3	86%	0.856	81%	0.812	S	S	*	*			trans	62.8	101.7	147.5	0	0	0	0	0	121.1
787	R	28.2	Very low	30.6	Very low	245 Å²	245	124.6 Å²	124.6	93%	0.925	81%	0.806	S	S	*	*			trans	-152.1	132.8	133.5	-158.6	167.6	-175	165.2	1.7	112.1
788	C	26.9	Very low	30.6	Very low	125 Å²	125	127.7 Å²	127.7	85%	0.845	80%	0.804	S	S	*	*			trans	-73.1	139	178.4	-53.1	0	0	0	0	111.7
789	I	26.7	Very low	30.5	Very low	155 Å²	155	131.4 Å²	131.4	80%	0.795	81%	0.808	S	S	*	*			trans	-131.2	115.8	163.3	-55.5	-180	0	0	0	108.1
790	S	25.3	Very low	30.1	Very low	108 Å²	108	132.9 Å²	132.9	76%	0.755	81%	0.808	S	S	*	*			trans	-78.8	135.8	174.5	-52.1	0	0	0	0	110.7
791	V	26.8	Very low	29.9	Very low	146 Å²	146	139.6 Å²	139.6	89%	0.885	82%	0.817	S	S	*	*			trans	-109.6	112.5	164.9	-85	0	0	0	0	109.6
792	S	29.1	Very low	29.5	Very low	108 Å²	108	140.6 Å²	140.6	76%	0.755	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-91.6	138.6	-171.2	-53.5	0	0	0	0	112.8
793	S	32.3	Very low	29	Very low	119 Å²	119	141.7 Å²	141.7	83%	0.832	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-62.4	141.1	168.3	-55.8	0	0	0	0	111.7
794	P	34.2	Very low	28.9	Very low	136 Å²	136	141.2 Å²	141.2	88%	0.883	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-87	134.5	-179.5	-3.6	22.3	0	0	0	112.7
795	G	28.8	Very low	28.9	Very low	77 Å²	77	145.4 Å²	145.4	79%	0.794	81%	0.812	S	S	*	*			trans	161.6	66.2	167.8	0	0	0	0	0	119.5
796	R	32.6	Very low	28.2	Very low	229 Å²	229	145.8 Å²	145.8	86%	0.864	81%	0.811	S	S	*	*			trans	7.7	137.4	161.1	-72.8	175.7	162.8	177.8	-4.1	120.4
797	G	27	Very low	28.1	Very low	62 Å²	62	148.2 Å²	148.2	64%	0.639	80%	0.801	S	S	*	*			cis	131.1	-171.4	-4	0	0	0	0	0	115.3
798	H	30.1	Very low	28.1	Very low	159 Å²	159	141.7 Å²	141.7	74%	0.736	79%	0.792	S	S	*	*			trans	74.3	142.3	-175.8	-42.9	93.7	0	0	0	114.8
799	K	31.3	Very low	28.5	Very low	198 Å²	198	141.5 Å²	141.5	86%	0.861	79%	0.789	S	S	*	*			cis	-125.4	160.1	7	-69.2	176.8	-179.2	175.1	0	112
800	I	26.3	Very low	29.9	Very low	143 Å²	143	139.6 Å²	139.6	73%	0.733	79%	0.787	S	S	*	*			trans	-99.7	141.9	175.8	-64.3	165.5	0	0	0	109.6	M802	I800-M802 HydrophobicContact CG2-CB 3.84Å
801	F	24	Very low	30	Very low	213 Å²	213	144 Å²	144	93%	0.934	80%	0.796	S	S	*	*			trans	-120	132.5	144.4	-86.4	-82.3	0	0	0	107.8
802	M	24.8	Very low	30	Very low	161 Å²	161	145 Å²	145	79%	0.793	79%	0.791	S	S	*	*			trans	-130.2	124.4	-173.8	-172.2	176.9	-170.8	0	0	108.1	I800	I800-M802 HydrophobicContact CG2-CB 3.84Å
803	V	26.1	Very low	30	Very low	145 Å²	145	147.2 Å²	147.2	88%	0.879	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-98.1	128.5	174.1	179.2	0	0	0	0	108.1
804	T	28	Very low	29.8	Very low	117 Å²	117	149.8 Å²	149.8	72%	0.718	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-89.8	140.3	-172.7	44.7	0	0	0	0	113.1
805	R	29.8	Very low	29.4	Very low	200 Å²	200	152.8 Å²	152.8	76%	0.755	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-49.9	145.2	164.1	-178.9	-166.9	-166.3	131.3	-3.6	112.1	E807	R805-E807 IonicContact CZ-OE2 3.94Å; R805-E807 IonicContact NE-OE2 3.47Å; R805-E807 PolarHBondContact NE-OE2 3.2Å; R805-E807 IonicContact NH2-OE1 2.68Å; R805-E807 IonicContact NH2-OE2 3.98Å; R805-E807 PolarHBondContact NH2-OE2 3.17Å
806	V	26.1	Very low	29.3	Very low	132 Å²	132	153.7 Å²	153.7	80%	0.8	79%	0.792	S	S	*	*			trans	-136.6	148.4	151.3	-178.1	0	0	0	0	107.9
807	E	26.2	Very low	28.9	Very low	135 Å²	135	147.1 Å²	147.1	63%	0.631	79%	0.786	S	S	*	*			trans	-144.1	136.2	-172.8	-179.5	166.9	-165.7	0	0	107.8	R805	R805-E807 IonicContact CZ-OE2 3.94Å; R805-E807 IonicContact NE-OE2 3.47Å; R805-E807 PolarHBondContact NE-OE2 3.2Å; R805-E807 IonicContact NH2-OE1 2.68Å; R805-E807 IonicContact NH2-OE2 3.98Å; R805-E807 PolarHBondContact NH2-OE2 3.17Å
808	S	27.3	Very low	29	Very low	108 Å²	108	148.7 Å²	148.7	76%	0.755	79%	0.793	S	S	*	*			trans	-161.7	121.6	-178.5	-60.7	0	0	0	0	112.4
809	P	35.3	Very low	30.1	Very low	120 Å²	120	146.6 Å²	146.6	78%	0.779	79%	0.794	S	S	*	*			trans	-103.2	-166.8	165	39.9	-31.4	0	0	0	110.7
810	P	56.6	Low	31	Very low	115 Å²	115	142.6 Å²	142.6	75%	0.747	79%	0.788	S	S	*	*			cis	-122.3	171.7	-49.8	35	-21.5	0	0	0	111.9
811	E	27.1	Very low	31	Very low	201 Å²	201	139.7 Å²	139.7	94%	0.939	79%	0.785	S	S	*	*			trans	-168.8	172.2	140	-119.4	-176.1	179.9	0	0	112.9
812	Q	27.7	Very low	31.1	Very low	167 Å²	167	137.8 Å²	137.8	78%	0.78	78%	0.783	S	S	*	*			trans	-115.9	165.6	-168.2	-67.1	-170.2	3.9	0	0	115.7
813	L	28.7	Very low	31	Very low	154 Å²	154	135.6 Å²	135.6	81%	0.806	78%	0.783	S	S	*	*			trans	83.2	155.1	144.9	-86.1	163.8	0	0	0	121.2
814	Q	28	Very low	32.2	Very low	173 Å²	173	134.3 Å²	134.3	81%	0.808	78%	0.777	S	S	*	*			trans	-92.8	150.8	-168.9	-54.1	163.8	-10.2	0	0	112.4
815	K	26.7	Very low	33.2	Very low	200 Å²	200	133.4 Å²	133.4	87%	0.87	77%	0.773	S	S	*	*				-172.1	137	121.6	-113.4	168.2	-177.3	167.5	0	115.8
816	A	25.9	Very low	33.1	Very low	96 Å²	96	131.9 Å²	131.9	79%	0.793	77%	0.772	S	S	*	*			trans	62.8	151.2	141	0	0	0	0	0	120.3
817	A	24.9	Very low	33.1	Very low	90 Å²	90	130.8 Å²	130.8	74%	0.744	76%	0.762	S	S	*	*			cis	-168.3	152.9	-22.6	0	0	0	0	0	111.5
818	A	28.6	Very low	33.2	Very low	95 Å²	95	131.1 Å²	131.1	79%	0.785	77%	0.767	S	S	*	*			trans	72.8	162	145.8	0	0	0	0	0	119.9
819	P	53.1	Low	33.2	Very low	116 Å²	116	131.2 Å²	131.2	75%	0.753	76%	0.764	S	S	*	*			trans	-117.3	-154.1	-161.2	43.3	-26.2	0	0	0	110.7
820	P	50.8	Low	32.7	Very low	114 Å²	114	131.2 Å²	131.2	74%	0.74	76%	0.762	S	S	*	*			cis	-144.7	-174.6	0.8	41.9	-21.1	0	0	0	118.3
821	A	26.2	Very low	31.2	Very low	81 Å²	81	132.2 Å²	132.2	67%	0.669	77%	0.765	S	S	*	*			trans	97.2	134	132.3	0	0	0	0	0	122.2
822	L	26.2	Very low	31.4	Very low	173 Å²	173	128.6 Å²	128.6	91%	0.906	76%	0.757	S	S	*	*			trans	76.6	131.5	146.5	-69.5	162.2	0	0	0	121.1
823	C	22	Very low	32.2	Very low	115 Å²	115	127 Å²	127	78%	0.777	76%	0.761	S	S	*	*			trans	-85.6	-174	169.9	-43.2	0	0	0	0	110.5
824	P	51.8	Low	32.3	Very low	118 Å²	118	124 Å²	124	77%	0.766	76%	0.759	S	S	*	*				-126.6	-130.6	-50.7	33.6	-11.9	0	0	0	107.3
825	P	49.1	Very low	32.5	Very low	98 Å²	98	123.5 Å²	123.5	64%	0.636	76%	0.757	S	S	*	*			cis	-135.2	-168.6	-31.9	40.6	-22.8	0	0	0	114.9
826	K	27.3	Very low	32.6	Very low	169 Å²	169	120.1 Å²	120.1	74%	0.735	75%	0.753	S	S	*	*			trans	86.7	125.3	140	-85.1	178.6	162.5	-93.6	0	123.1
827	D	26.5	Very low	32.7	Very low	109 Å²	109	122.8 Å²	122.8	58%	0.583	75%	0.749	S	S	*	*				79.5	108.4	123.9	-59.2	-7.6	0	0	0	124
828	L	27.7	Very low	32.8	Very low	141 Å²	141	126.2 Å²	126.2	74%	0.738	75%	0.754	S	S	*	*				79.9	128.4	124.6	-90.6	74.1	0	0	0	123.6
829	T	26.2	Very low	32.8	Very low	111 Å²	111	127.8 Å²	127.8	68%	0.681	75%	0.754	S	S	*	*				98.2	123.7	128.9	48	0	0	0	0	124.9
830	T	24.8	Very low	32.5	Very low	120 Å²	120	128 Å²	128	74%	0.736	76%	0.755	S	S	*	*				90.3	120.2	129.6	48	0	0	0	0	124.8
831	V	26.5	Very low	31.4	Very low	136 Å²	136	126.2 Å²	126.2	82%	0.824	76%	0.757	S	S	*	*				100.1	133.6	125.4	164.9	0	0	0	0	121.6
832	T	30.7	Very low	31.5	Very low	125 Å²	125	126.4 Å²	126.4	77%	0.767	77%	0.767	S	S	*	*			trans	-87.5	164.2	176.8	18	0	0	0	0	113.8
833	P	44.3	Very low	31.7	Very low	132 Å²	132	122.5 Å²	122.5	86%	0.857	76%	0.76	S	S	*	*				-150.8	-169.5	102.5	38	-18	0	0	0	115.5
834	A	31.3	Very low	31.9	Very low	93 Å²	93	123.4 Å²	123.4	77%	0.769	76%	0.757	S	S	*	*			trans	-132.2	-171.9	-172.4	0	0	0	0	0	112
835	Q	32.8	Very low	30.7	Very low	162 Å²	162	125.9 Å²	125.9	76%	0.757	76%	0.758	S	S	*	*			cis	-124.5	-120.1	27.4	-61.3	177.9	0.8	0	0	114.3
836	T	28.2	Very low	29.7	Very low	129 Å²	129	126.7 Å²	126.7	79%	0.791	77%	0.766	S	S	*	*			cis	-155.7	173.2	18.9	-49.2	0	0	0	0	112.3
837	Q	28.3	Very low	31	Very low	152 Å²	152	124.3 Å²	124.3	71%	0.71	77%	0.768	S	S	*	*			trans	-78.1	163.4	-167.8	-51.6	168.4	3	0	0	117.4
838	L	27.3	Very low	32.4	Very low	161 Å²	161	124.9 Å²	124.9	84%	0.843	78%	0.778	S	S	*	*				-177	163.2	110	-96.5	165.9	0	0	0	114.5
839	T	28.5	Very low	32.4	Very low	128 Å²	128	122.3 Å²	122.3	79%	0.785	78%	0.777	S	S	*	*			trans	-136.4	165.2	-177.8	61.8	0	0	0	0	111.4
840	P	45.8	Very low	32.6	Very low	122 Å²	122	122.3 Å²	122.3	79%	0.792	78%	0.781	S	S	*	*				-139.2	-161.3	72.7	42	-23.7	0	0	0	112.3
841	G	27.4	Very low	32.8	Very low	76 Å²	76	121.3 Å²	121.3	78%	0.784	78%	0.779	S	S	*	*			cis	100.7	136.3	1.4	0	0	0	0	0	114.9
842	G	29.3	Very low	32.9	Very low	84 Å²	84	120 Å²	120	87%	0.866	77%	0.772	S	S	*	*			cis	151.3	132.4	-8.3	0	0	0	0	0	112.6
843	A	29.5	Very low	32.9	Very low	92 Å²	92	120.9 Å²	120.9	76%	0.76	77%	0.772	S	S	*	*			trans	-157.6	145.4	-178.3	0	0	0	0	0	117.7
844	N	26.6	Very low	32.1	Very low	133 Å²	133	120.6 Å²	120.6	71%	0.711	76%	0.763	S	S	*	*			trans	62.1	139.1	168	-65.4	49.9	0	0	0	119
845	E	26.6	Very low	31.9	Very low	171 Å²	171	123.2 Å²	123.2	80%	0.799	76%	0.757	S	S	*	*			cis	-159	175.9	-13.5	-123	166.6	161.7	0	0	111.2
846	S	29.3	Very low	31.5	Very low	114 Å²	114	120.7 Å²	120.7	80%	0.797	75%	0.753	S	S	*	*			trans	-127.4	-157.8	-164.1	-36.1	0	0	0	0	112.6
847	P	52.8	Low	31.4	Very low	120 Å²	120	120.1 Å²	120.1	78%	0.779	75%	0.749	S	S	*	*			cis	-135	-136.3	-19.4	30.4	-3.3	0	0	0	112.5
848	P	56.8	Low	31.4	Very low	121 Å²	121	121.1 Å²	121.1	79%	0.786	75%	0.754	S	S	*	*				-128.8	167.5	-78.2	36.7	-19.7	0	0	0	117.6
849	A	27.9	Very low	31.3	Very low	87 Å²	87	121.8 Å²	121.8	72%	0.719	75%	0.753	S	S	*	*			trans	170.1	139.3	145.5	0	0	0	0	0	109.3
850	S	29.4	Very low	31.2	Very low	111 Å²	111	126.4 Å²	126.4	78%	0.776	76%	0.756	S	S	*	*			cis	75	128.4	36.9	75.5	0	0	0	0	114.9
851	S	29	Very low	31.1	Very low	99 Å²	99	126.2 Å²	126.2	69%	0.692	75%	0.754	S	S	*	*			cis	-171	177.1	0.3	54.8	0	0	0	0	112.8
852	T	30.1	Very low	31	Very low	108 Å²	108	125.9 Å²	125.9	66%	0.663	75%	0.751	S	S	*	*			trans	63.2	125.7	143.7	44.6	0	0	0	0	123.8
853	D	29.2	Very low	30.9	Very low	143 Å²	143	126.9 Å²	126.9	77%	0.765	75%	0.751	S	S	*	*				80.6	152	128.6	-59.8	-21.8	0	0	0	124.2
854	D	29.1	Very low	30.9	Very low	127 Å²	127	126.5 Å²	126.5	68%	0.679	75%	0.748	S	S	*	*			trans	60.2	152.4	165.9	-89.3	17.7	0	0	0	117.7
855	K	26.4	Very low	30.9	Very low	148 Å²	148	128.8 Å²	128.8	64%	0.643	75%	0.754	S	S	*	*			cis	-177.3	134.9	-19.1	-119.6	-169.1	-158.3	76	0	103.5
856	T	25.1	Very low	31	Very low	109 Å²	109	126 Å²	126	67%	0.669	75%	0.754	S	S	*	*				39.8	138.7	113.2	69.7	0	0	0	0	118.5
857	T	24.8	Very low	31.4	Very low	116 Å²	116	126 Å²	126	71%	0.712	75%	0.751	S	S	*	*			trans	7.7	131.8	143.2	58.2	0	0	0	0	117.3
858	E	27.7	Very low	30.1	Very low	174 Å²	174	129.6 Å²	129.6	81%	0.813	76%	0.755	S	S	*	*				-166.7	168.7	79.7	-90.5	171	164.6	0	0	109.9
859	E	26.8	Very low	28.7	Very low	174 Å²	174	131.7 Å²	131.7	81%	0.813	76%	0.758	S	S	*	*			cis	-149.8	167.5	9.4	-140.5	-173.7	159.9	0	0	112.6
860	R	25.6	Very low	28.8	Very low	225 Å²	225	134.1 Å²	134.1	85%	0.849	76%	0.759	S	S	*	*			trans	-93.1	-177.8	156.2	-124.8	-176.8	176.7	-174.4	0.4	107.3
861	P	43.3	Very low	29.5	Very low	118 Å²	118	133.9 Å²	133.9	77%	0.766	76%	0.755	S	S	*	*			cis	-128.7	-165.4	-21.4	41	-24.1	0	0	0	111.7
862	G	26.7	Very low	29.3	Very low	70 Å²	70	136.8 Å²	136.8	72%	0.722	76%	0.762	S	S	*	*			trans	131.5	89	168	0	0	0	0	0	112.1
863	A	26.8	Very low	29.1	Very low	104 Å²	104	137.4 Å²	137.4	86%	0.86	77%	0.771	S	S	*	*				81.8	140.5	51.2	0	0	0	0	0	114.3
864	A	28	Very low	28.9	Very low	84 Å²	84	134.8 Å²	134.8	69%	0.694	76%	0.763	S	S	*	*			trans	75.1	110.9	173	0	0	0	0	0	119.1
865	Q	27.7	Very low	29	Very low	181 Å²	181	136.4 Å²	136.4	85%	0.846	77%	0.767	S	S	*	*				70.8	121.9	123.4	-66.2	168.4	-9.6	0	0	120.8
866	S	29	Very low	29.4	Very low	112 Å²	112	135.8 Å²	135.8	78%	0.783	77%	0.771	S	S	*	*			trans	-37.9	150.2	144.9	53.1	0	0	0	0	113.6
867	P	36.6	Very low	29.7	Very low	114 Å²	114	134.2 Å²	134.2	74%	0.74	77%	0.769	S	S	*	*				-144.7	172.8	79.1	40.2	-24.5	0	0	0	116.4
868	K	26.5	Very low	30	Very low	197 Å²	197	136.8 Å²	136.8	86%	0.857	77%	0.77	S	S	*	*			trans	-50.9	143.9	154.9	-82.3	-177.2	168.7	-176.8	0	110.6
869	L	27.4	Very low	30.3	Very low	164 Å²	164	132.7 Å²	132.7	86%	0.859	77%	0.766	S	S	*	*			trans	-168.1	118.6	144.5	-106.2	169.1	0	0	0	110.8
870	D	29.2	Very low	30.5	Very low	138 Å²	138	134.7 Å²	134.7	74%	0.738	77%	0.766	S	S	*	*			trans	-69.3	176.7	151	-48.3	-84.6	0	0	0	109.4
871	P	44.8	Very low	30.8	Very low	106 Å²	106	129.4 Å²	129.4	69%	0.688	76%	0.759	S	S	*	*			cis	-141.2	173.9	3.6	43.8	-26.8	0	0	0	116.6
872	L	24.7	Very low	30.3	Very low	161 Å²	161	130.8 Å²	130.8	84%	0.843	76%	0.759	S	S	*	*			trans	57.8	150.6	141.2	-74.5	166.1	0	0	0	122.6
873	S	25.1	Very low	30.3	Very low	121 Å²	121	134 Å²	134	85%	0.846	76%	0.76	S	S	*	*			trans	72.9	148.1	176.1	79.7	0	0	0	0	115.3
874	S	26.6	Very low	31.4	Very low	87 Å²	87	133.8 Å²	133.8	61%	0.608	75%	0.75	S	S	*	*			cis	-143.9	170.8	8.6	56.7	0	0	0	0	113.8
875	E	30.5	Very low	31.5	Very low	161 Å²	161	134 Å²	134	75%	0.752	75%	0.752	S	S	*	*			trans	75.3	135.2	148.5	-75.8	154.2	137.3	0	0	123.3
876	D	34.1	Very low	31.6	Very low	136 Å²	136	136.3 Å²	136.3	73%	0.727	75%	0.753	S	S	*	*			trans	63.3	146.7	144.9	-77.9	-18	0	0	0	122.6	K878	D876-K878 IonicContact OD1-NZ 3.57Å
877	A	31.8	Very low	31.6	Very low	76 Å²	76	137.6 Å²	137.6	63%	0.628	75%	0.75	S	S	*	*			cis	-158.5	154.2	-14.6	0	0	0	0	0	113.8
878	K	31.1	Very low	31.3	Very low	169 Å²	169	141.1 Å²	141.1	74%	0.735	76%	0.759	S	S	*	*			trans	-7.9	131.5	152.3	-49.5	125.1	-172.8	154.6	0	114.9	D876	D876-K878 IonicContact OD1-NZ 3.57Å
879	A	33.2	Very low	31.5	Very low	89 Å²	89	138.8 Å²	138.8	74%	0.736	76%	0.756	S	S	*	*				-166.8	137.4	67.8	0	0	0	0	0	110.5
880	R	31.9	Very low	32.6	Very low	216 Å²	216	135.8 Å²	135.8	82%	0.815	75%	0.746	S	S	*	*				71.3	142.2	61.6	-70	-176.1	167	-166.4	-5.3	113.5
881	T	31.6	Very low	32.7	Very low	113 Å²	113	133.4 Å²	133.4	69%	0.693	74%	0.74	S	S	*	*			cis	-161.6	171.9	0.4	10.2	0	0	0	0	107.6
882	L	32.1	Very low	32.2	Very low	148 Å²	148	136.2 Å²	136.2	78%	0.775	75%	0.749	S	S	*	*			cis	-120.3	179.8	15.4	-68.8	166.8	0	0	0	110.4
883	D	27.2	Very low	33.4	Very low	136 Å²	136	133.2 Å²	133.2	73%	0.727	74%	0.739	S	S	*	*			cis	80.6	156.6	17.5	-129.7	30.4	0	0	0	115.4
884	P	49.8	Very low	33.6	Very low	100 Å²	100	133.6 Å²	133.6	65%	0.649	74%	0.736	S	S	*	*				-138.9	-179.2	-86.9	43.4	-28.3	0	0	0	117.4
885	A	29.9	Very low	34.6	Very low	90 Å²	90	135.1 Å²	135.1	74%	0.744	74%	0.744	S	S	*	*			trans	86.7	135.1	142.1	0	0	0	0	0	124
886	R	29.8	Very low	34.5	Very low	229 Å²	229	132.3 Å²	132.3	86%	0.864	75%	0.748	S	S	*	*			trans	77.2	124.1	142	-87.4	-174.7	172.3	-178.3	-1.9	123.3
887	L	30	Very low	34.4	Very low	139 Å²	139	133.1 Å²	133.1	73%	0.728	75%	0.752	S	S	*	*			trans	89.6	107.6	137	-68.4	165.9	0	0	0	122
888	M	30.8	Very low	35	Very low	187 Å²	187	135 Å²	135	92%	0.921	76%	0.757	S	S	*	*			trans	87.2	149.8	137.8	-74	-177.1	157.1	0	0	122.4
889	D	30.1	Very low	35	Very low	149 Å²	149	130.7 Å²	130.7	80%	0.797	75%	0.749	S	S	*	*			trans	-79.9	179.2	-171.3	-142.5	31.3	0	0	0	111.9
890	P	50	Low	34.6	Very low	101 Å²	101	133.7 Å²	133.7	66%	0.656	75%	0.753	S	S	*	*			cis	-150.3	168.4	24.2	43.4	-21.3	0	0	0	122.3
891	S	31	Very low	34.4	Very low	87 Å²	87	128.5 Å²	128.5	61%	0.608	75%	0.749	S	S	*	*			trans	59.1	112.4	142.1	62.8	0	0	0	0	120.7
892	L	35.1	Very low	34.9	Very low	166 Å²	166	128.5 Å²	128.5	87%	0.869	75%	0.754	S	S	*	*				90.4	162.4	77.9	-85	171	0	0	0	114.6
893	P	49.3	Very low	35.8	Very low	97 Å²	97	126.6 Å²	126.6	63%	0.63	75%	0.75	S	S	*	*			cis	-140.9	161.6	-7.8	40	-21.7	0	0	0	118.6
894	T	29.8	Very low	35.9	Very low	129 Å²	129	127.7 Å²	127.7	79%	0.791	76%	0.755	S	S	*	*			trans	61.6	162.9	140.6	54.5	0	0	0	0	122.2
895	P	47.1	Very low	35.7	Very low	119 Å²	119	128.1 Å²	128.1	77%	0.773	76%	0.758	S	S	*	*			cis	-137.5	177.2	16.7	44.1	-26.5	0	0	0	119.7
896	A	29.5	Very low	35.8	Very low	102 Å²	102	132.2 Å²	132.2	84%	0.843	76%	0.762	S	S	*	*			trans	82.7	118.2	158.5	0	0	0	0	0	120.2
897	L	31.6	Very low	35.8	Very low	153 Å²	153	127 Å²	127	80%	0.801	76%	0.755	S	S	*	*			trans	-107.8	-171.3	171.4	-80.7	165.7	0	0	0	108.6
898	P	45.2	Very low	35.7	Very low	115 Å²	115	124.6 Å²	124.6	75%	0.747	76%	0.755	S	S	*	*			cis	-118.3	149.4	-1.5	7.2	19.8	0	0	0	113.9
899	S	29.5	Very low	35.6	Very low	80 Å²	80	124.1 Å²	124.1	56%	0.559	76%	0.756	S	S	*	*				83	142.3	71	-55.8	0	0	0	0	114.8
900	N	26.3	Very low	35.4	Very low	152 Å²	152	125.9 Å²	125.9	81%	0.813	76%	0.756	S	S	*	*			cis	-161.9	157.6	-12	-108.5	-0.1	0	0	0	110.1
901	S	27.1	Very low	35	Very low	107 Å²	107	127.1 Å²	127.1	75%	0.748	76%	0.764	S	S	*	*			trans	-151.1	129.7	161.9	58	0	0	0	0	111.4
902	S	41.8	Very low	34.8	Very low	112 Å²	112	129.1 Å²	129.1	78%	0.783	77%	0.773	S	S	*	*			trans	66.4	178.7	174.5	-45.1	0	0	0	0	114
903	P	52	Low	34.4	Very low	108 Å²	108	126.1 Å²	126.1	70%	0.701	77%	0.766	S	S	*	*			cis	-144.1	-170.5	1.3	46.2	-28.1	0	0	0	117.4
904	L	27.7	Very low	34.8	Very low	159 Å²	159	126.8 Å²	126.8	83%	0.832	77%	0.77	S	S	*	*			trans	85.9	149.4	150.1	-69.7	173.4	0	0	0	123.3
905	P	47.3	Very low	35.6	Very low	109 Å²	109	126.7 Å²	126.7	71%	0.708	77%	0.771	S	S	*	*			trans	-89.7	-166.2	173.3	40.7	-35.7	0	0	0	112.4
906	E	31.6	Very low	34.8	Very low	177 Å²	177	125.4 Å²	125.4	83%	0.827	77%	0.771	S	S	*	*			cis	-173.5	-178.4	43.1	-151.2	-162.2	156.1	0	0	114.1
907	V	29.2	Very low	34.8	Very low	120 Å²	120	124.2 Å²	124.2	73%	0.727	77%	0.769	S	S	*	*			trans	99.7	89.1	158.3	-164.6	0	0	0	0	120.3
908	A	28.6	Very low	35.2	Very low	87 Å²	87	122.4 Å²	122.4	72%	0.719	77%	0.766	S	S	*	*			trans	44.6	135.5	130.2	0	0	0	0	0	124.4
909	L	28.3	Very low	34.4	Very low	178 Å²	178	124.5 Å²	124.5	93%	0.932	77%	0.77	S	S	*	*				-168.1	156.5	114.8	-102.3	165.4	0	0	0	113.4
910	K	26.2	Very low	34.4	Very low	185 Å²	185	129.9 Å²	129.9	80%	0.804	79%	0.787	S	S	*	*			trans	-96.3	156	176.6	-111.9	174.9	-177.5	175	0	110.3
911	P	40.3	Very low	34.4	Very low	127 Å²	127	125.9 Å²	125.9	83%	0.825	78%	0.781	S	S	*	*				-151.3	-152.4	81.9	42.4	-21.9	0	0	0	115.5
912	T	26.6	Very low	35	Very low	129 Å²	129	126.9 Å²	126.9	79%	0.791	79%	0.785	S	S	*	*			trans	-115.4	166.4	-156.2	52.2	0	0	0	0	116.4
913	S	27.7	Very low	34.2	Very low	104 Å²	104	129 Å²	129	73%	0.727	79%	0.787	S	S	*	*			trans	-73.3	-167.4	165.2	60.8	0	0	0	0	113.4
914	P	57.5	Low	32.9	Very low	111 Å²	111	128.1 Å²	128.1	72%	0.721	79%	0.79	S	S	*	*			cis	-119.7	-163.1	-20.9	43.1	-27.2	0	0	0	110.9
915	P	47.4	Very low	32.9	Very low	126 Å²	126	125.1 Å²	125.1	82%	0.818	79%	0.788	S	S	*	*				-150.7	-161.9	73.8	37.5	-14.9	0	0	0	114.2
916	A	29.4	Very low	32	Very low	92 Å²	92	129.4 Å²	129.4	76%	0.76	80%	0.798	S	S	*	*				-173.7	121.8	-64.4	0	0	0	0	0	111.7
917	G	29.7	Very low	31.8	Very low	77 Å²	77	124.3 Å²	124.3	79%	0.794	79%	0.793	S	S	*	*			trans	69.9	179.5	166.3	0	0	0	0	0	117.5
918	P	39.7	Very low	31.7	Very low	116 Å²	116	123.1 Å²	123.1	75%	0.753	79%	0.79	S	S	*	*			cis	-105.4	143.5	-1.5	5.9	18.1	0	0	0	113.7
919	L	29	Very low	31.6	Very low	159 Å²	159	125.8 Å²	125.8	83%	0.832	79%	0.792	S	S	*	*				84.7	148.9	80.5	-66	176.5	0	0	0	116.1
920	Q	29.6	Very low	31.5	Very low	193 Å²	193	122.7 Å²	122.7	90%	0.902	78%	0.781	S	S	*	*			trans	73.5	128.3	174.3	-60.8	170.9	-4.4	0	0	115.6
921	G	25.6	Very low	31.5	Very low	67 Å²	67	120.9 Å²	120.9	69%	0.691	78%	0.779	S	S	*	*			cis	80.1	152.2	-6.7	0	0	0	0	0	116.3
922	P	39.2	Very low	30.8	Very low	129 Å²	129	122.8 Å²	122.8	84%	0.838	78%	0.776	S	S	*	*			cis	-132.2	-162.6	3.5	44	-26.4	0	0	0	114.1
923	D	25.4	Very low	30.7	Very low	155 Å²	155	124.1 Å²	124.1	83%	0.829	77%	0.774	S	S	*	*			trans	-65.8	171.7	168.4	-73.4	-77.8	0	0	0	116
924	A	25.8	Very low	30.7	Very low	91 Å²	91	125.4 Å²	125.4	75%	0.752	77%	0.768	S	S	*	*			trans	97.2	138.8	137.2	0	0	0	0	0	121.4
925	A	27.4	Very low	29.2	Very low	96 Å²	96	128.5 Å²	128.5	79%	0.793	77%	0.773	S	S	*	*			trans	67.9	168.6	147	0	0	0	0	0	117
926	E	27.6	Very low	28.2	Very low	199 Å²	199	126.2 Å²	126.2	93%	0.93	77%	0.772	S	S	*	*			cis	-140.9	171.6	15.4	-62.6	-178.1	122.9	0	0	112.9
927	G	27	Very low	28	Very low	69 Å²	69	130.9 Å²	130.9	71%	0.711	78%	0.778	S	S	*	*			trans	135.1	102.1	152.7	0	0	0	0	0	115.8
928	S	27.4	Very low	27.9	Very low	96 Å²	96	135 Å²	135	67%	0.671	78%	0.782	S	S	*	*			cis	-171.7	165.5	-12.8	33.5	0	0	0	0	109.2
929	N	26.9	Very low	27.3	Very low	143 Å²	143	132.4 Å²	132.4	77%	0.765	78%	0.776	S	S	*	*			trans	73.3	135.2	165.4	-53.5	-27.5	0	0	0	116.5
930	T	26.5	Very low	27.2	Very low	112 Å²	112	135.5 Å²	135.5	69%	0.687	78%	0.776	S	S	*	*			cis	-169.6	156.9	-1.5	12.2	0	0	0	0	110.5
931	I	26.4	Very low	27	Very low	148 Å²	148	135 Å²	135	76%	0.759	77%	0.774	S	S	*	*			trans	70.8	97.4	146.8	-64.5	160.6	0	0	0	117.4
932	E	25.4	Very low	26.9	Very low	167 Å²	167	135.1 Å²	135.1	78%	0.78	78%	0.775	S	S	*	*			trans	-18.5	161.4	138	-63.2	161.6	127.5	0	0	119.9
933	E	25.1	Very low	27.5	Very low	157 Å²	157	134.8 Å²	134.8	73%	0.734	77%	0.773	S	S	*	*				113.8	144.8	125.8	-112.2	177.4	-159.2	0	0	121.9
934	H	26.6	Very low	27.5	Very low	131 Å²	131	131.8 Å²	131.8	61%	0.606	76%	0.764	S	S	*	*			trans	61.3	106.8	166.7	-75.4	-72.2	0	0	0	122.4
935	E	25.8	Very low	27.7	Very low	175 Å²	175	133.2 Å²	133.2	82%	0.818	76%	0.764	S	S	*	*				31.8	131.3	114.7	-59.2	-178.5	122.9	0	0	120.2
936	G	26.1	Very low	27.9	Very low	78 Å²	78	135 Å²	135	80%	0.804	76%	0.76	S	S	*	*			trans	178.7	111.4	161.1	0	0	0	0	0	114.4
937	Q	26.5	Very low	28	Very low	190 Å²	190	133.1 Å²	133.1	89%	0.888	75%	0.751	S	S	*	*			trans	-65.2	144.1	166.4	-63.3	156.6	-23	0	0	110
938	D	26.9	Very low	28.4	Very low	165 Å²	165	137 Å²	137	88%	0.882	76%	0.755	S	S	*	*				175.3	176.4	97	-135.7	-33.4	0	0	0	112.9
939	G	26.9	Very low	28.5	Very low	60 Å²	60	136.4 Å²	136.4	62%	0.619	76%	0.756	S	S	*	*			trans	92	79.2	136.5	0	0	0	0	0	121.2
940	R	27.5	Very low	28.8	Very low	224 Å²	224	138 Å²	138	85%	0.845	76%	0.759	S	S	*	*			trans	7.7	148.9	136.4	-71.8	-179.9	168.9	-158.3	-3.3	121.7
941	Q	25.9	Very low	29.9	Very low	182 Å²	182	138.2 Å²	138.2	85%	0.85	76%	0.762	S	S	*	*			trans	79.4	139.2	151.7	-72.7	166.8	-27.6	0	0	119.2
942	G	22.3	Very low	30.2	Very low	70 Å²	70	137.4 Å²	137.4	72%	0.722	76%	0.764	S	S	*	*			trans	-103.4	-157.2	153.9	0	0	0	0	0	110.6
943	P	53	Low	31.5	Very low	122 Å²	122	134.9 Å²	134.9	79%	0.792	76%	0.762	S	S	*	*			cis	-137.5	-158.5	5.6	42.1	-22.4	0	0	0	114.1
944	S	25.5	Very low	32	Very low	92 Å²	92	131.1 Å²	131.1	64%	0.643	76%	0.758	S	S	*	*			trans	80.6	115.7	146.8	63.1	0	0	0	0	123.8
945	T	29.1	Very low	32.3	Very low	122 Å²	122	132.8 Å²	132.8	75%	0.748	77%	0.767	S	S	*	*				68.7	149.3	128.3	58.5	0	0	0	0	124.8
946	N	31.3	Very low	32.5	Very low	133 Å²	133	132.2 Å²	132.2	71%	0.711	76%	0.764	S	S	*	*			trans	75.2	157.2	155.5	-74.9	22.9	0	0	0	118.6
947	E	30.8	Very low	32.9	Very low	159 Å²	159	136.6 Å²	136.6	74%	0.743	76%	0.763	S	S	*	*			cis	-152.6	-171.7	5.2	-136.6	165.4	101.3	0	0	116
948	L	35	Very low	34.4	Very low	150 Å²	150	132 Å²	132	79%	0.785	75%	0.75	S	S	*	*			trans	-53.3	161.6	-177.3	-83.7	68	0	0	0	116.5
949	A	28.1	Very low	34.5	Very low	84 Å²	84	131 Å²	131	69%	0.694	75%	0.745	S	S	*	*				179.4	146.5	62	0	0	0	0	0	116.7
950	Q	33.7	Very low	34.6	Very low	178 Å²	178	132.4 Å²	132.4	83%	0.832	75%	0.75	S	S	*	*			trans	45.4	169.7	138.3	-66.2	-165.9	11	0	0	122.9
951	P	50.4	Low	34.6	Very low	116 Å²	116	128.1 Å²	128.1	75%	0.753	74%	0.744	S	S	*	*			cis	-132.5	-172.2	1.4	33.6	-10.1	0	0	0	117.6
952	T	32.9	Very low	34.6	Very low	130 Å²	130	126.1 Å²	126.1	80%	0.798	74%	0.735	S	S	*	*			trans	-74	-176.8	174.2	27.5	0	0	0	0	114.9
953	P	52.3	Low	34.7	Very low	114 Å²	114	128.8 Å²	128.8	74%	0.74	74%	0.737	S	S	*	*			cis	-148.1	175.3	24.1	45.6	-25.3	0	0	0	121.1
954	A	35.2	Very low	33.6	Very low	79 Å²	79	127.5 Å²	127.5	65%	0.653	74%	0.737	S	S	*	*			trans	46.6	143.5	142.9	0	0	0	0	0	121.7
955	Q	33.8	Very low	33.6	Very low	166 Å²	166	126.3 Å²	126.3	78%	0.776	74%	0.739	S	S	*	*			cis	-168.6	-179.3	-4.2	-115.2	149.9	-112.8	0	0	106.5
956	E	28.9	Very low	34.4	Very low	162 Å²	162	125.5 Å²	125.5	76%	0.757	74%	0.736	S	S	*	*			cis	-146.7	-133.6	14.2	-155.4	141.6	-76.7	0	0	111.7
957	E	36	Very low	34.2	Very low	170 Å²	170	127.5 Å²	127.5	79%	0.794	74%	0.741	S	S	*	*			trans	-155	-171.3	-167.9	-118.8	-163.5	-148.4	0	0	111
958	P	56.8	Low	34.1	Very low	95 Å²	95	128.5 Å²	128.5	62%	0.617	75%	0.746	S	S	*	*			cis	-138	176.3	1.4	36.5	-15.1	0	0	0	118.5
959	N	28.3	Very low	33.8	Very low	144 Å²	144	126.1 Å²	126.1	77%	0.77	74%	0.742	S	S	*	*			trans	77.5	106	141.6	-77.6	-18.8	0	0	0	124.5
960	A	29.9	Very low	34.9	Very low	88 Å²	88	127.3 Å²	127.3	73%	0.727	74%	0.743	S	S	*	*				84.7	110.7	100.9	0	0	0	0	0	122.7
961	D	27.1	Very low	36.2	Very low	134 Å²	134	124.1 Å²	124.1	72%	0.717	74%	0.737	S	S	*	*				88.6	146.2	116.9	-142.8	18.4	0	0	0	123.3
962	Q	26.6	Very low	36.3	Very low	141 Å²	141	124.2 Å²	124.2	66%	0.659	74%	0.738	S	S	*	*			trans	54.2	122.3	153.6	-84.4	177.4	82.6	0	0	124.6
963	T	24.9	Very low	36.1	Very low	125 Å²	125	125.1 Å²	125.1	77%	0.767	74%	0.738	S	S	*	*			trans	78.6	160.6	131.3	62.3	0	0	0	0	122.4
964	A	28.4	Very low	35.9	Very low	95 Å²	95	124.6 Å²	124.6	79%	0.785	73%	0.734	S	S	*	*			trans	80.4	121.7	159.8	0	0	0	0	0	118.8
965	G	25.3	Very low	35.6	Very low	68 Å²	68	126.9 Å²	126.9	70%	0.701	74%	0.74	S	S	*	*			trans	-90.5	-144.2	138.6	0	0	0	0	0	108.7
966	P	46.8	Very low	35.6	Very low	105 Å²	105	126.4 Å²	126.4	68%	0.682	74%	0.743	S	S	*	*			cis	-118.6	-162	-4.3	43.4	-29.7	0	0	0	111.4
967	E	26.2	Very low	35.6	Very low	174 Å²	174	126.5 Å²	126.5	81%	0.813	75%	0.749	S	S	*	*			trans	64	164.5	159.8	-69.3	162.9	167.4	0	0	115
968	E	29.5	Very low	35.3	Very low	181 Å²	181	127.4 Å²	127.4	85%	0.846	75%	0.75	S	S	*	*			cis	-138.3	-174.1	-4.6	-143.7	177.8	173.9	0	0	109.3
969	S	28.8	Very low	34.5	Very low	99 Å²	99	129 Å²	129	69%	0.692	76%	0.761	S	S	*	*			trans	-127.7	-170.4	178.1	64.9	0	0	0	0	110.5
970	P	52.1	Low	34.6	Very low	110 Å²	110	126.9 Å²	126.9	71%	0.714	76%	0.757	S	S	*	*				-108.3	-108.6	-58.2	30.8	-14.3	0	0	0	108.3
971	P	59.7	Low	34.6	Very low	111 Å²	111	132.5 Å²	132.5	72%	0.721	76%	0.759	S	S	*	*				-99.3	-153.4	-73	40.2	-23.8	0	0	0	110
972	P	51.8	Low	34.9	Very low	118 Å²	118	132.2 Å²	132.2	77%	0.766	75%	0.754	S	S	*	*			cis	-137.8	173.2	-3.3	44.7	-27.2	0	0	0	117.7
973	N	30.1	Very low	35.1	Very low	149 Å²	149	134.2 Å²	134.2	80%	0.797	76%	0.763	S	S	*	*			trans	-69.3	163.6	156.6	-125.3	1.6	0	0	0	110
974	P	46.9	Very low	35.2	Very low	103 Å²	103	132.7 Å²	132.7	67%	0.669	76%	0.763	S	S	*	*				-159.4	-164.4	69.4	44.3	-22.7	0	0	0	117.2
975	T	29.4	Very low	35.3	Very low	127 Å²	127	133.2 Å²	133.2	78%	0.779	76%	0.761	S	S	*	*			trans	81.9	127.3	155.9	42.2	0	0	0	0	120.7
976	D	33.4	Very low	36.6	Very low	156 Å²	156	135.7 Å²	135.7	83%	0.834	77%	0.765	S	S	*	*			trans	-68.4	161.1	168.3	-41.7	-108.9	0	0	0	112.6
977	D	29.2	Very low	35.8	Very low	164 Å²	164	137.5 Å²	137.5	88%	0.877	77%	0.769	S	S	*	*				-167	171.9	106.7	-137.9	-30.9	0	0	0	112.7
978	K	30.8	Very low	37.2	Very low	188 Å²	188	134 Å²	134	82%	0.817	76%	0.761	S	S	*	*			trans	-128.5	136.9	179.8	-152.1	179	-166.9	175	0	110
979	P	39.2	Very low	37.4	Very low	130 Å²	130	131.2 Å²	131.2	84%	0.844	76%	0.756	S	S	*	*				-145.9	-163.7	127.2	34.9	-16.9	0	0	0	113.8
980	S	29.9	Very low	37.5	Very low	99 Å²	99	134.2 Å²	134.2	69%	0.692	76%	0.759	S	S	*	*			trans	-138.1	163.8	-160.8	59.4	0	0	0	0	114.4
981	R	30.6	Very low	36.4	Very low	205 Å²	205	135.4 Å²	135.4	77%	0.774	76%	0.764	S	S	*	*			trans	71.2	159.5	164.6	-71	173.5	152.2	-127.9	-0.5	115.4
982	E	32.6	Very low	34.8	Very low	129 Å²	129	133.3 Å²	133.3	60%	0.603	76%	0.764	S	S	*	*			cis	-156.5	-176.1	-9.1	-116.1	158.1	166.7	0	0	107.8
983	E	30.8	Very low	33.7	Very low	183 Å²	183	136.2 Å²	136.2	86%	0.855	77%	0.767	S	S	*	*			cis	-110	-123.9	13.8	-56.2	175.9	86	0	0	112.5
984	A	27.1	Very low	33.6	Very low	93 Å²	93	137.5 Å²	137.5	77%	0.769	77%	0.768	S	S	*	*			cis	-151.4	-172.9	8.8	0	0	0	0	0	112.3
985	S	31.6	Very low	32.6	Very low	106 Å²	106	136.7 Å²	136.7	74%	0.741	77%	0.77	S	S	*	*			trans	-135.2	-170.5	-167.2	-25.8	0	0	0	0	111.9
986	P	51.3	Low	33	Very low	119 Å²	119	137 Å²	137	77%	0.773	77%	0.774	S	S	*	*			cis	-117.8	164.2	12.7	17.6	8.5	0	0	0	115.4
987	D	31.7	Very low	32.6	Very low	144 Å²	144	134.2 Å²	134.2	77%	0.77	77%	0.767	S	S	*	*			cis	83.5	150.8	43.4	-137.6	14.4	0	0	0	113.2
988	P	55.7	Low	32.4	Very low	100 Å²	100	131.2 Å²	131.2	65%	0.649	76%	0.759	S	S	*	*			cis	-144.9	159.6	-0.1	43.5	-24.4	0	0	0	120.1
989	V	33.6	Very low	32.1	Very low	122 Å²	122	127.2 Å²	127.2	74%	0.739	75%	0.754	S	S	*	*			trans	64.2	143.7	135	171.2	0	0	0	0	120.1
990	Q	29.7	Very low	31.5	Very low	163 Å²	163	128.3 Å²	128.3	76%	0.762	75%	0.753	S	S	*	*			cis	-163.5	148.7	34.1	-150.8	155.9	65.5	0	0	114.6
991	T	29.2	Very low	32.3	Very low	134 Å²	134	129.3 Å²	129.3	82%	0.822	76%	0.757	S	S	*	*			trans	44	152.6	152.7	50.4	0	0	0	0	123.2
992	G	26.9	Very low	33	Very low	68 Å²	68	124.1 Å²	124.1	70%	0.701	75%	0.75	S	S	*	*			cis	154.3	141.6	-7.2	0	0	0	0	0	114.9
993	Q	27.8	Very low	33	Very low	179 Å²	179	126.3 Å²	126.3	84%	0.836	76%	0.76	S	S	*	*			trans	70.3	151.8	165.5	-72.7	-164.9	10.8	0	0	122.9
994	Q	27.5	Very low	33	Very low	176 Å²	176	125 Å²	125	82%	0.822	76%	0.759	S	S	*	*			trans	78.5	136.9	153	-79.3	173.4	19.2	0	0	122.2
995	A	27.1	Very low	33.2	Very low	85 Å²	85	123.7 Å²	123.7	70%	0.702	76%	0.755	S	S	*	*			trans	-93.5	166.2	155.2	0	0	0	0	0	109.8
996	P	38.1	Very low	33.2	Very low	133 Å²	133	122.9 Å²	122.9	86%	0.864	75%	0.754	S	S	*	*				-144.3	-168.3	116.6	40.8	-27.4	0	0	0	114
997	S	25.4	Very low	32.2	Very low	99 Å²	99	124.7 Å²	124.7	69%	0.692	76%	0.757	S	S	*	*			trans	-98.2	176.2	-170.2	57.5	0	0	0	0	115.6
998	S	23.9	Very low	32.2	Very low	101 Å²	101	123.7 Å²	123.7	71%	0.706	76%	0.756	S	S	*	*			trans	79.9	147.4	137.5	53.2	0	0	0	0	122.7
999	S	25	Very low	31.2	Very low	103 Å²	103	125.7 Å²	125.7	72%	0.72	76%	0.762	S	S	*	*			trans	70.1	109.6	153.2	55.2	0	0	0	0	121.5
1000	N	26.6	Very low	31.9	Very low	153 Å²	153	125.7 Å²	125.7	82%	0.818	76%	0.764	S	S	*	*				16	160.5	102.2	-61.5	10.9	0	0	0	118.9
1001	P	47.1	Very low	32	Very low	120 Å²	120	120.6 Å²	120.6	78%	0.779	76%	0.755	S	S	*	*			cis	-124.8	-145.2	-15.2	33.9	-9.9	0	0	0	108.8
1002	P	45.4	Very low	32.4	Very low	96 Å²	96	119.8 Å²	119.8	62%	0.623	76%	0.755	S	S	*	*			cis	-138	-176.3	-7.3	45	-25.7	0	0	0	116.9
1003	E	32.1	Very low	32.6	Very low	176 Å²	176	125.4 Å²	125.4	82%	0.822	76%	0.76	S	S	*	*			trans	12.4	155.6	130.9	-47.6	163.5	145.3	0	0	119.3
1004	D	31.4	Very low	32.9	Very low	156 Å²	156	122.3 Å²	122.3	83%	0.834	75%	0.753	S	S	*	*			cis	-162.4	163.1	23.6	-159.1	3.1	0	0	0	114.3
1005	G	30.5	Very low	33	Very low	65 Å²	65	121.4 Å²	121.4	67%	0.67	75%	0.746	S	S	*	*			trans	83.7	141.5	153.1	0	0	0	0	0	119.9
1006	A	31.5	Very low	33.2	Very low	88 Å²	88	122.4 Å²	122.4	73%	0.727	74%	0.74	S	S	*	*			cis	-165.7	161.3	-9.5	0	0	0	0	0	112.2
1007	D	30.1	Very low	32.7	Very low	158 Å²	158	122.6 Å²	122.6	85%	0.845	73%	0.729	S	S	*	*			trans	65.7	135.8	150.3	-80.9	-22.8	0	0	0	120.6
1008	V	30.8	Very low	32.9	Very low	123 Å²	123	125.5 Å²	125.5	75%	0.745	73%	0.732	S	S	*	*			cis	-148.1	151.3	0.5	-174.3	0	0	0	0	112
1009	N	36.4	Very low	33.1	Very low	142 Å²	142	124.7 Å²	124.7	76%	0.759	73%	0.726	S	S	*	*			trans	-20.6	168.8	151.4	-118.3	-19.7	0	0	0	119.4
1010	P	47	Very low	33.2	Very low	122 Å²	122	124.6 Å²	124.6	79%	0.792	72%	0.721	S	S	*	*			cis	-132.7	176.6	-9.8	41.9	-25.8	0	0	0	114.7
1011	G	32	Very low	33.2	Very low	55 Å²	55	123.8 Å²	123.8	57%	0.567	72%	0.717	S	S	*	*			cis	160.4	150.7	-10.2	0	0	0	0	0	114.3
1012	S	36.9	Very low	32.4	Very low	117 Å²	117	125.6 Å²	125.6	82%	0.818	72%	0.715	S	S	*	*			trans	71.7	143.9	173.2	77	0	0	0	0	117.8
1013	K	32.8	Very low	31.6	Very low	186 Å²	186	127.1 Å²	127.1	81%	0.809	72%	0.718	S	S	*	*			cis	-160.3	135.2	-2.6	-121	179.4	176.6	-175.2	0	109.2
1014	V	32.8	Very low	31.4	Very low	115 Å²	115	123.1 Å²	123.1	70%	0.697	71%	0.709	S	S	*	*				68.1	130.6	104.4	160.2	0	0	0	0	114.7
1015	K	30.6	Very low	31.3	Very low	156 Å²	156	119.9 Å²	119.9	68%	0.678	71%	0.705	S	S	*	*			cis	-163.2	158.3	1.9	-118.7	-173.2	174.9	-88.6	0	110.2
1016	D	30.1	Very low	31.2	Very low	106 Å²	106	123.6 Å²	123.6	57%	0.567	71%	0.709	S	S	*	*			trans	38.5	165	130.7	-56.9	11.2	0	0	0	123.4
1017	Q	29.2	Very low	31.2	Very low	137 Å²	137	126.9 Å²	126.9	64%	0.64	71%	0.709	S	S	*	*			cis	165.2	160.1	-22.9	-165.4	176.4	-33.1	0	0	105.4
1018	E	29.3	Very low	31	Very low	160 Å²	160	123.9 Å²	123.9	75%	0.748	70%	0.7	S	S	*	*			trans	66.7	154.5	160.7	-83.5	156.7	-159.9	0	0	116.9
1019	S	26.4	Very low	30.7	Very low	84 Å²	84	126.6 Å²	126.6	59%	0.587	70%	0.702	S	S	*	*			cis	-168.1	175.8	-10.9	51.3	0	0	0	0	112.5
1020	T	27.1	Very low	30.3	Very low	101 Å²	101	127.1 Å²	127.1	62%	0.62	70%	0.7	S	S	*	*			trans	63.1	116.3	138.3	51.3	0	0	0	0	121.2
1021	D	27	Very low	29.5	Very low	136 Å²	136	129.5 Å²	129.5	73%	0.727	70%	0.7	S	S	*	*				96.2	129	114.9	-61.9	-3.7	0	0	0	122.8
1022	E	30.3	Very low	29.4	Very low	158 Å²	158	130.9 Å²	130.9	74%	0.738	71%	0.706	S	S	*	*			trans	72.5	126.6	134.5	-79.4	-163.7	-170	0	0	123
1023	N	28.3	Very low	28.9	Very low	128 Å²	128	132 Å²	132	68%	0.684	70%	0.703	S	S	*	*			trans	65.1	163.5	131.8	-68.6	-31.3	0	0	0	119.7
1024	S	28.8	Very low	28.8	Very low	92 Å²	92	130.2 Å²	130.2	64%	0.643	70%	0.702	S	S	*	*			cis	-172.9	142.7	-36.6	58.8	0	0	0	0	107.5
1025	A	30.1	Very low	28.6	Very low	89 Å²	89	128.2 Å²	128.2	74%	0.736	70%	0.704	S	S	*	*			trans	61.5	-179.4	164.5	0	0	0	0	0	113.7
1026	D	27.7	Very low	28.7	Very low	142 Å²	142	129 Å²	129	76%	0.759	71%	0.71	S	S	*	*			cis	-149.7	172.5	-32.6	-129.5	-32.1	0	0	0	109.8
1027	E	31	Very low	28.6	Very low	158 Å²	158	129.8 Å²	129.8	74%	0.738	72%	0.718	S	S	*	*			trans	44.5	132.5	147.5	-72.5	-153.8	173	0	0	124.5
1028	C	25.8	Very low	28.6	Very low	95 Å²	95	129.7 Å²	129.7	64%	0.642	73%	0.727	S	S	*	*				75.1	119.2	127.4	-67.1	0	0	0	0	124
1029	F	24.6	Very low	28.6	Very low	180 Å²	180	126.3 Å²	126.3	79%	0.789	73%	0.727	S	S	*	*				70.9	132.5	124.8	-92.6	-96.1	0	0	0	124.6
1030	E	28.5	Very low	28.9	Very low	152 Å²	152	127.6 Å²	127.6	71%	0.71	74%	0.736	S	S	*	*			trans	74	129	139.6	-108.8	167.3	-144.2	0	0	124.4
1031	E	29.9	Very low	29	Very low	173 Å²	173	127.5 Å²	127.5	81%	0.808	75%	0.745	S	S	*	*			trans	57.4	153.4	137.9	-93	-169	-174.8	0	0	124.4
1032	A	29.6	Very low	29.3	Very low	84 Å²	84	129 Å²	129	69%	0.694	75%	0.752	S	S	*	*			trans	70.7	154.5	149.3	0	0	0	0	0	119
1033	L	27.9	Very low	29.7	Very low	141 Å²	141	126.6 Å²	126.6	74%	0.738	75%	0.75	S	S	*	*			cis	-160.5	171.5	-22.2	-111.8	174.9	0	0	0	109.1
1034	D	29.3	Very low	29.9	Very low	148 Å²	148	128.5 Å²	128.5	79%	0.791	76%	0.76	S	S	*	*			trans	55.4	134.6	149.2	-66.4	-35.2	0	0	0	123.6
1035	G	29.9	Very low	29.9	Very low	72 Å²	72	127.5 Å²	127.5	74%	0.742	76%	0.764	S	S	*	*			trans	121	142.9	134.3	0	0	0	0	0	118.1
1036	E	31.6	Very low	29.8	Very low	173 Å²	173	132 Å²	132	81%	0.808	78%	0.775	S	S	*	*			cis	-166.3	134.5	-19	-135.4	-149.9	137.1	0	0	111.6
1037	V	29.1	Very low	29.9	Very low	122 Å²	122	134.1 Å²	134.1	74%	0.739	78%	0.777	S	S	*	*			trans	49.3	170.9	159.8	-86.5	0	0	0	0	120
1038	V	27.8	Very low	29.9	Very low	136 Å²	136	132.1 Å²	132.1	82%	0.824	78%	0.776	S	S	*	*			cis	-133.5	159.4	9.1	-165.3	0	0	0	0	111.7
1039	A	29.2	Very low	30.2	Very low	89 Å²	89	135.5 Å²	135.5	74%	0.736	78%	0.782	S	S	*	*			trans	-69.1	-170.4	-178.3	0	0	0	0	0	115.9
1040	S	33.5	Very low	30.3	Very low	111 Å²	111	135.2 Å²	135.2	78%	0.776	78%	0.781	S	S	*	*			cis	-171.8	158	29.3	58.3	0	0	0	0	118.2
1041	A	29.8	Very low	30.2	Very low	98 Å²	98	132.4 Å²	132.4	81%	0.81	78%	0.778	S	S	*	*			trans	85.5	148.9	142.1	0	0	0	0	0	123.2
1042	L	33	Very low	30.1	Very low	167 Å²	167	131.7 Å²	131.7	87%	0.874	78%	0.779	S	S	*	*			trans	-116.5	175.8	-179.9	-60.8	160	0	0	0	109.9
1043	P	37.8	Very low	30	Very low	109 Å²	109	135.3 Å²	135.3	71%	0.708	78%	0.782	S	S	*	*				-159.9	150.5	92.1	39	-18.6	0	0	0	119.6
1044	N	33.6	Very low	29.9	Very low	168 Å²	168	136 Å²	136	90%	0.898	79%	0.785	S	S	*	*			trans	54.8	147.6	144	-53	-19	0	0	0	122
1045	G	28	Very low	29.8	Very low	70 Å²	70	135.2 Å²	135.2	72%	0.722	78%	0.78	S	S	*	*			cis	166.1	-176.3	-3.5	0	0	0	0	0	113.9
1046	L	27.7	Very low	29.6	Very low	183 Å²	183	138.9 Å²	138.9	96%	0.958	78%	0.783	S	S	*	*			trans	85.4	164.8	174.3	-65.4	167.9	0	0	0	120.1
1047	K	30.5	Very low	29.3	Very low	188 Å²	188	134 Å²	134	82%	0.817	78%	0.778	S	S	*	*			trans	-140.1	-162.5	-165.8	-67.1	-176.5	168.9	-175.7	0	111.9
1048	T	30.2	Very low	29.1	Very low	115 Å²	115	137.9 Å²	137.9	71%	0.706	79%	0.788	S	S	*	*			trans	76.2	134.6	140.5	47.1	0	0	0	0	119.9
1049	E	32.1	Very low	29.5	Very low	167 Å²	167	137.9 Å²	137.9	78%	0.78	79%	0.789	S	S	*	*			cis	-158.6	-173.6	-14.8	-42.1	-160.8	120.5	0	0	108.7
1050	F	26.9	Very low	29.7	Very low	173 Å²	173	139.5 Å²	139.5	76%	0.759	79%	0.792	S	S	*	*			cis	-164.3	166.8	-11.7	-152.3	-115.9	0	0	0	110.9
1051	S	27.2	Very low	29.6	Very low	94 Å²	94	143.8 Å²	143.8	66%	0.657	80%	0.797	S	S	*	*			trans	65.8	161	158.9	-101.9	0	0	0	0	119.3
1052	L	27.5	Very low	30.5	Very low	157 Å²	157	145.4 Å²	145.4	82%	0.822	80%	0.799	S	S	*	*			cis	-154.5	175.8	27.9	-132.7	167.1	0	0	0	112.6
1053	H	28	Very low	30.2	Very low	161 Å²	161	141 Å²	141	75%	0.745	79%	0.794	S	S	*	*			trans	-71	157.1	179.1	-70.1	-124.2	0	0	0	114.8
1054	L	25.7	Very low	29.8	Very low	156 Å²	156	141 Å²	141	82%	0.817	80%	0.797	S	S	*	*				-177.6	136.3	105.6	-95.1	164.6	0	0	0	115.8
1055	L	27.8	Very low	29.5	Very low	131 Å²	131	138.2 Å²	138.2	69%	0.686	79%	0.789	S	S	*	*			trans	-2.1	148.5	157.3	-65.4	171.8	0	0	0	123.5
1056	D	24.8	Very low	29.6	Very low	149 Å²	149	140.6 Å²	140.6	80%	0.797	79%	0.789	S	S	*	*			trans	54.3	140.2	141.5	-49.8	-22.8	0	0	0	120.8
1057	G	25.5	Very low	29.8	Very low	69 Å²	69	139.4 Å²	139.4	71%	0.711	78%	0.781	S	S	*	*			cis	175.7	-141.5	2	0	0	0	0	0	112.7
1058	E	25.2	Very low	30	Very low	204 Å²	204	136.7 Å²	136.7	95%	0.953	77%	0.771	S	S	*	*			trans	72.9	131.8	175.5	-54.7	-160.1	127.9	0	0	118.9
1059	T	35.4	Very low	30.2	Very low	136 Å²	136	138.9 Å²	138.9	83%	0.834	77%	0.773	S	S	*	*			trans	-89.6	155.4	172.7	54.4	0	0	0	0	110.3
1060	P	33.5	Very low	30.6	Very low	124 Å²	124	136.2 Å²	136.2	81%	0.805	77%	0.768	S	S	*	*				-150.8	170.3	102.8	37.5	-20.3	0	0	0	116.6
1061	K	30.6	Very low	31	Very low	201 Å²	201	133.4 Å²	133.4	87%	0.874	77%	0.77	S	S	*	*			trans	-109.8	170	154.8	-77.4	-175.1	176.2	-177.6	0	108
1062	P	49.5	Very low	31.5	Very low	131 Å²	131	132.9 Å²	132.9	85%	0.851	77%	0.766	S	S	*	*			cis	-130.7	-179.7	-5.4	38.7	-22.2	0	0	0	114.8
1063	G	26.1	Very low	31.9	Very low	75 Å²	75	130 Å²	130	77%	0.773	76%	0.759	S	S	*	*			trans	125.9	167.4	159.9	0	0	0	0	0	113.9
1064	S	29.6	Very low	32.7	Very low	110 Å²	110	126.8 Å²	126.8	77%	0.769	75%	0.753	S	S	*	*			cis	-173.6	159.3	-25.4	-171.2	0	0	0	0	108
1065	C	28.6	Very low	33.1	Very low	109 Å²	109	122.2 Å²	122.2	74%	0.736	74%	0.738	S	S	*	*			trans	72.4	129.3	176.2	-52.3	0	0	0	0	115.1
1066	V	29.4	Very low	33.6	Very low	120 Å²	120	121.3 Å²	121.3	73%	0.727	73%	0.734	S	S	*	*			cis	75.7	112.7	37.2	-172.4	0	0	0	0	109.4
1067	M	31.5	Very low	34.8	Very low	157 Å²	157	119.2 Å²	119.2	77%	0.773	72%	0.719	S	S	*	*				-163.9	169.2	76.2	-81	-178	156.8	0	0	111.4
1068	E	34.6	Very low	35.7	Very low	132 Å²	132	120.9 Å²	120.9	62%	0.617	71%	0.711	S	S	*	*			cis	-165.7	145	-18	-104.6	177.9	-176.9	0	0	108.9
1069	H	35.7	Very low	36.5	Very low	161 Å²	161	117.1 Å²	117.1	75%	0.745	69%	0.693	S	S	*	*				64.1	146.7	86.1	-85.7	-28.5	0	0	0	116.1
1070	V	38.9	Very low	37.2	Very low	111 Å²	111	117 Å²	117	67%	0.673	68%	0.683	S	S	*	*			cis	-134.8	-162.8	-10.5	-139.1	0	0	0	0	108.6
1071	S	36.7	Very low	37.9	Very low	114 Å²	114	114.9 Å²	114.9	80%	0.797	67%	0.665	S	S	*	*			cis	-143.4	146.8	32.8	-71.6	0	0	0	0	111.8
1072	S	37.6	Very low	38.7	Very low	83 Å²	83	110.6 Å²	110.6	58%	0.58	65%	0.651	S	S	*	*			cis	91.9	86.8	31.4	-163.7	0	0	0	0	114.2
1073	S	36.1	Very low	38.2	Very low	95 Å²	95	109.5 Å²	109.5	66%	0.664	64%	0.637	S	S	*	*	S	Bend	trans	-149.2	-46.4	159.7	60.3	0	0	0	0	110.9	A1075	S1073-A1075 VanDerWaalsContact C-N 3.26Å; S1073-A1075 PolarHBondContact O-N 3.33Å
1074	C	43.4	Very low	39.2	Very low	94 Å²	94	110.8 Å²	110.8	64%	0.635	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-4	-174.3	-160.9	0	0	0	0	115.7
1075	A	35.1	Very low	39.9	Very low	60 Å²	60	107 Å²	107	50%	0.496	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.6	-42.3	177.5	0	0	0	0	0	112	S1073 L1078 E1079	S1073-A1075 VanDerWaalsContact C-N 3.26Å; S1073-A1075 PolarHBondContact O-N 3.33Å; A1075-L1078 WeakPolarHBondContact O-CB 3.44Å; A1075-L1078 PolarHBondContact O-N 3.34Å; A1075-E1079 PolarHBondContact O-N 3.48Å
1076	L	38.5	Very low	40.4	Very low	113 Å²	113	105.8 Å²	105.8	59%	0.592	59%	0.591	S	S	*	*	H	α-helix	trans	-68.2	-45.6	-174.2	-64.9	172.7	0	0	0	111.9	L1078 E1079 E1080	L1076-L1078 PolarHBondContact O-N 3.47Å; L1076-E1079 PolarHBondContact O-N 2.63Å; L1076-E1079 VanDerWaalsContact O-N 3.16Å; L1076-E1080 VanDerWaalsContact O-CB 3.31Å; L1076-E1080 WeakPolarHBondContact O-CB 3.34Å; L1076-E1080 PolarHBondContact O-N 2.96Å
1077	E	49.1	Very low	41	Very low	105 Å²	105	105.9 Å²	105.9	49%	0.491	59%	0.585	S	S	.	*	H	α-helix	trans	-57	-31.8	173.3	-71.1	-173.2	130.3	0	0	112.3	L1081	E1077-L1081 VanDerWaalsContact O-CB 3.3Å; E1077-L1081 WeakPolarHBondContact O-CB 3.05Å; E1077-L1081 WeakPolarHBondContact O-CD1 3.2Å; E1077-L1081 WeakPolarHBondContact O-CG 3.09Å; E1077-L1081 PolarHBondContact O-N 3Å; E1077-L1081 VanDerWaalsContact O-N 3.15Å
1078	L	44.4	Very low	41.4	Very low	104 Å²	104	101.8 Å²	101.8	55%	0.545	57%	0.566	S	S	.	*	H	α-helix	trans	-78.3	-37.5	179.7	-156	85.6	0	0	0	112	A1075 L1076 L1082	A1075-L1078 WeakPolarHBondContact O-CB 3.44Å; A1075-L1078 PolarHBondContact O-N 3.34Å; L1076-L1078 PolarHBondContact O-N 3.47Å; L1078-L1082 WeakPolarHBondContact O-CB 3.49Å; L1078-L1082 WeakPolarHBondContact O-CD1 3.24Å; L1078-L1082 WeakPolarHBondContact O-CG 3.48Å; L1078-L1082 PolarHBondContact O-N 3.36Å; L1078-L1082 VanDerWaalsContact O-N 3.08Å
1079	E	42.9	Very low	41.7	Very low	124 Å²	124	102 Å²	102	58%	0.579	57%	0.572	S	S	*	*	H	α-helix	trans	-73.4	-37.5	178.6	-164.7	157	-134.8	0	0	111.3	A1075 L1076 L1082 L1083	A1075-E1079 PolarHBondContact O-N 3.48Å; L1076-E1079 PolarHBondContact O-N 2.63Å; L1076-E1079 VanDerWaalsContact O-N 3.16Å; E1079-L1082 PolarHBondContact O-N 3.16Å; E1079-L1083 PolarHBondContact O-N 3.03Å
1080	E	49.2	Very low	41.6	Very low	133 Å²	133	97.3 Å²	97.3	62%	0.621	57%	0.567	S	S	*	*	H	α-helix	trans	-63	-48.7	171	-172.9	170	-142.6	0	0	111.7	L1076 L1082 L1083 E1084	L1076-E1080 VanDerWaalsContact O-CB 3.31Å; L1076-E1080 WeakPolarHBondContact O-CB 3.34Å; L1076-E1080 PolarHBondContact O-N 2.96Å; E1080-L1082 PolarHBondContact O-N 3.23Å; E1080-L1083 WeakPolarHBondContact O-CB 3.5Å; E1080-L1083 PolarHBondContact O-N 3.07Å; E1080-L1083 VanDerWaalsContact O-N 3.1Å; E1080-E1084 PolarHBondContact O-N 3.42Å
1081	L	48.3	Very low	41.5	Very low	80 Å²	80	101.4 Å²	101.4	42%	0.419	57%	0.57	S	S	.	*	H	α-helix	trans	-63	-24.1	173.8	-78.5	171	0	0	0	113.7	E1077 A1085	E1077-L1081 VanDerWaalsContact O-CB 3.3Å; E1077-L1081 WeakPolarHBondContact O-CB 3.05Å; E1077-L1081 WeakPolarHBondContact O-CD1 3.2Å; E1077-L1081 WeakPolarHBondContact O-CG 3.09Å; E1077-L1081 PolarHBondContact O-N 3Å; E1077-L1081 VanDerWaalsContact O-N 3.15Å; L1081-A1085 VanDerWaalsContact O-CB 3.26Å; L1081-A1085 WeakPolarHBondContact O-CB 3.41Å; L1081-A1085 PolarHBondContact O-N 3.21Å
1082	L	46.8	Very low	41.5	Very low	111 Å²	111	102.4 Å²	102.4	58%	0.581	57%	0.567	S	S	*	*	H	α-helix	trans	-82.8	-33.3	173	-76.4	168	0	0	0	112.1	L1078 E1079 E1080 S1086	L1078-L1082 WeakPolarHBondContact O-CB 3.49Å; L1078-L1082 WeakPolarHBondContact O-CD1 3.24Å; L1078-L1082 WeakPolarHBondContact O-CG 3.48Å; L1078-L1082 PolarHBondContact O-N 3.36Å; L1078-L1082 VanDerWaalsContact O-N 3.08Å; E1079-L1082 PolarHBondContact O-N 3.16Å; E1080-L1082 PolarHBondContact O-N 3.23Å; L1082-S1086 VanDerWaalsContact O-CB 3.3Å; L1082-S1086 WeakPolarHBondContact O-CB 3.07Å; L1082-S1086 PolarHBondContact O-N 3.47Å
1083	L	39.3	Very low	41.1	Very low	108 Å²	108	102.1 Å²	102.1	57%	0.565	57%	0.569	S	S	*	*	H	α-helix	trans	-64.1	-50.9	170.6	-106.8	71.2	0	0	0	111.1	E1079 E1080 A1085 S1086 M1087	E1079-L1083 PolarHBondContact O-N 3.03Å; E1080-L1083 WeakPolarHBondContact O-CB 3.5Å; E1080-L1083 PolarHBondContact O-N 3.07Å; E1080-L1083 VanDerWaalsContact O-N 3.1Å; L1083-A1085 VanDerWaalsContact C-N 3.35Å; L1083-A1085 PolarHBondContact O-N 3.3Å; L1083-S1086 WeakPolarHBondContact O-CB 3.21Å; L1083-S1086 PolarHBondContact O-N 3.3Å; L1083-S1086 VanDerWaalsContact O-N 3.09Å; L1083-M1087 WeakPolarHBondContact O-CG 3.4Å; L1083-M1087 PolarHBondContact O-N 3.29Å
1084	E	47.3	Very low	41.4	Very low	103 Å²	103	107.4 Å²	107.4	48%	0.481	60%	0.602	S	S	.	*	H	α-helix	trans	-56.6	-47.8	175.9	-73.9	-161.2	136.8	0	0	111.7	E1080 S1086 M1087 D1088	E1080-E1084 PolarHBondContact O-N 3.42Å; E1084-S1086 PolarHBondContact O-N 3.09Å; E1084-M1087 PolarHBondContact O-N 2.99Å; E1084-M1087 VanDerWaalsContact O-N 3.16Å; E1084-D1088 PolarHBondContact O-N 3.2Å
1085	A	44.6	Very low	41.3	Very low	30 Å²	30	108.1 Å²	108.1	25%	0.248	60%	0.6	C	S	.	*	H	α-helix	trans	-64.2	-26.1	178.6	0	0	0	0	0	113.4	L1081 L1083 N1089	L1081-A1085 VanDerWaalsContact O-CB 3.26Å; L1081-A1085 WeakPolarHBondContact O-CB 3.41Å; L1081-A1085 PolarHBondContact O-N 3.21Å; L1083-A1085 VanDerWaalsContact C-N 3.35Å; L1083-A1085 PolarHBondContact O-N 3.3Å; A1085-N1089 VanDerWaalsContact O-CG 3.27Å; A1085-N1089 PolarHBondContact O-ND2 2.87Å
1086	S	40.2	Very low	41.6	Very low	84 Å²	84	110.6 Å²	110.6	59%	0.587	61%	0.605	S	S	*	*	H	α-helix	trans	-78.2	-39.2	173.1	-166.7	0	0	0	0	112	L1082 L1083 E1084 N1089 G1090	L1082-S1086 VanDerWaalsContact O-CB 3.3Å; L1082-S1086 WeakPolarHBondContact O-CB 3.07Å; L1082-S1086 PolarHBondContact O-N 3.47Å; L1083-S1086 WeakPolarHBondContact O-CB 3.21Å; L1083-S1086 PolarHBondContact O-N 3.3Å; L1083-S1086 VanDerWaalsContact O-N 3.09Å; E1084-S1086 PolarHBondContact O-N 3.09Å; S1086-N1089 PolarHBondContact O-N 2.71Å; S1086-G1090 PolarHBondContact O-N 2.98Å
1087	M	40.4	Very low	41.7	Very low	122 Å²	122	110.4 Å²	110.4	60%	0.601	61%	0.606	S	S	*	*	H	α-helix	trans	-70.7	-37.2	179.8	-71.6	177.1	66	0	0	113	L1083 E1084 G1090	L1083-M1087 WeakPolarHBondContact O-CG 3.4Å; L1083-M1087 PolarHBondContact O-N 3.29Å; E1084-M1087 PolarHBondContact O-N 2.99Å; E1084-M1087 VanDerWaalsContact O-N 3.16Å; M1087-G1090 PolarHBondContact O-N 3.14Å
1088	D	41.4	Very low	41.3	Very low	70 Å²	70	110.8 Å²	110.8	37%	0.374	61%	0.613	S	S	.	*	H	α-helix	trans	-62.7	-45.4	173	-76.1	-27.6	0	0	0	111.6	R397 E1084 G1090 R1091	R397-D1088 IonicContact CZ-OD2 2.71Å; R397-D1088 IonicContact NH1-OD2 3.7Å; R397-D1088 PolarHBondContact NH1-OD2 3.28Å; R397-D1088 IonicContact NH2-OD2 2.65Å; R397-D1088 PolarHBondContact NH2-OD2 3.45Å; E1084-D1088 PolarHBondContact O-N 3.2Å; D1088-G1090 PolarHBondContact O-N 3.23Å; D1088-G1090 VanDerWaalsContact O-N 3.08Å; D1088-R1091 PolarHBondContact O-N 3.34Å
1089	N	40.3	Very low	41.1	Very low	136 Å²	136	111.2 Å²	111.2	73%	0.727	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-14.2	178.3	-75.6	-6.6	0	0	0	113.5	A1085 S1086	A1085-N1089 VanDerWaalsContact O-CG 3.27Å; A1085-N1089 PolarHBondContact O-ND2 2.87Å; S1086-N1089 PolarHBondContact O-N 2.71Å
1090	G	32.9	Very low	41	Very low	63 Å²	63	110.3 Å²	110.3	65%	0.649	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-3.5	174.7	0	0	0	0	0	115.1	S1086 M1087 D1088	S1086-G1090 PolarHBondContact O-N 2.98Å; M1087-G1090 PolarHBondContact O-N 3.14Å; D1088-G1090 PolarHBondContact O-N 3.23Å; D1088-G1090 VanDerWaalsContact O-N 3.08Å
1091	R	37.1	Very low	40.4	Very low	197 Å²	197	108.7 Å²	108.7	74%	0.743	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.4	-27.2	-177.4	-71.8	179.5	170.5	163.6	-1.6	114.6	D1088 A1093	D1088-R1091 PolarHBondContact O-N 3.34Å; R1091-A1093 PolarHBondContact O-N 2.64Å
1092	D	37.5	Very low	39.8	Very low	135 Å²	135	110.9 Å²	110.9	72%	0.722	64%	0.635	S	S	*	*	S	Bend	trans	-93.4	53.1	178.2	-84.4	2.4	0	0	0	112.2	K373	K373-D1092 IonicContact NZ-OD2 2.66Å; K373-D1092 PolarHBondContact NZ-OD2 3.43Å
1093	A	29	Very low	39.2	Very low	77 Å²	77	110.9 Å²	110.9	64%	0.636	64%	0.639	S	S	*	*			trans	-140.1	139.4	170	0	0	0	0	0	111.1	R1091	R1091-A1093 PolarHBondContact O-N 2.64Å
1094	P	40.8	Very low	39.2	Very low	206 Å²	206	111.2 Å²	111.2	100%	1.338	65%	0.646	S	S	*	*			trans	-81.8	0	-172.5	34.6	-37.4	0	0	0	114.9

Retrieved 1,094 of 1,094 residues in 288.3 ms (Link to these results)

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