TRAF6_CERAT Loading...

TNF receptor-associated factor 6

E3 ubiquitin ligase that, together with UBE2N and UBE2V1, mediates the synthesis of 'Lys-63'-linked-polyubiquitin chains conjugated to proteins, such as ECSIT, IKBKG, IRAK1, AKT1 and AKT2. Also mediates ubiquitination of free/unanchored polyubiquitin chain that leads to MAP3K7 activation. Leads to the activation of NF-kappa-B and JUN (By similarity). Seems to also play a role in dendritic cells (DCs) maturation and/or activation (By similarity). Represses c-Myb-mediated transactivation, in B-lymphocytes. Adapter protein that seems to play a role in signal transduction initiated via TNF receptor, IL-1 receptor and IL-17 receptor (By similarity). Regulates osteoclast differentiation by mediating the activation of adapter protein complex 1 (AP-1) and NF-kappa-B, in response to RANK-L stimulation (By similarity). Together with MAP3K8, mediates CD40 signals that activate ERK in B-cells and macrophages, and thus may play a role in the regulation of immunoglobulin production (By similarity). Acts as a regulator of the JNK and NF-kappa-B signaling pathways by initiating assembly of heterotypic 'Lys-63'-/'Lys-48'-linked branched ubiquitin chains that are then recognized by TAB2: TRAF6 catalyzes initial 'Lys-63'-linked-polyubiquitin chains that are then branched via 'Lys-48'-linked polyubiquitin by HUWE1. 'Lys-63'-/'Lys-48'-linked branched ubiquitin chains protect 'Lys-63'-linkages from CYLD deubiquitination. Also participates in the TCR signaling by ubiquitinating LAT (By similarity).

AlphaFold DB , UniProt , Accession B6CJY4, Species CERAT (Cercocebus atys, Sooty mangabey), Gene TRAF6, Length 522 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.8	Very low	30.5	Very low	242 Å²	242	146.8 Å²	146.8	100%	1.192	86%	0.862	S	S	*	*				0	90.8	0	-72.5	-166	-117.1	0	0	106.7
2	S	35.4	Very low	30.5	Very low	116 Å²	116	144.7 Å²	144.7	81%	0.811	86%	0.861	S	S	*	*			trans	-111.9	107.9	-172.6	-61.9	0	0	0	0	108.7	L4	S2-L4 PolarHBondContact O-N 3.14Å
3	L	34	Very low	30.6	Very low	168 Å²	168	142.9 Å²	142.9	88%	0.88	86%	0.86	S	S	*	*			trans	-73.5	111.6	168	-71.6	165.4	0	0	0	107.4	N5	L3-N5 PolarHBondContact O-N 2.99Å
4	L	33.4	Very low	30.7	Very low	162 Å²	162	145.1 Å²	145.1	85%	0.848	86%	0.856	S	S	*	*			trans	-78	92.7	170.7	-79.3	158.6	0	0	0	108.3	S2 C6	S2-L4 PolarHBondContact O-N 3.14Å; L4-C6 PolarHBondContact O-N 2.94Å
5	N	27.9	Very low	30.9	Very low	141 Å²	141	142.1 Å²	142.1	75%	0.754	85%	0.846	S	S	*	*			trans	-77.6	102.6	160.4	-85.5	6.4	0	0	0	108.2	L3	L3-N5 PolarHBondContact O-N 2.99Å
6	C	29.3	Very low	30.8	Very low	126 Å²	126	145 Å²	145	85%	0.851	85%	0.848	S	S	*	*			trans	-107.2	84.6	158.2	-82.9	0	0	0	0	107.9	L4	L4-C6 PolarHBondContact O-N 2.94Å
7	E	24.5	Very low	31	Very low	168 Å²	168	141.9 Å²	141.9	79%	0.785	84%	0.837	S	S	*	*			trans	-107.7	137.4	160.4	-75	-174.2	146.5	0	0	108.2
8	N	29.4	Very low	30.8	Very low	165 Å²	165	142.8 Å²	142.8	88%	0.882	84%	0.837	S	S	*	*			trans	102.1	92.9	177	-61.8	-16.1	0	0	0	116.2
9	S	30.6	Very low	30.8	Very low	127 Å²	127	141.9 Å²	141.9	89%	0.888	84%	0.838	S	S	*	*				-154.3	115.2	115	-160.7	0	0	0	0	110.6
10	C	28.2	Very low	30.7	Very low	133 Å²	133	141.3 Å²	141.3	90%	0.899	84%	0.84	S	S	*	*			trans	-89.7	142.3	167.6	-158.5	0	0	0	0	106.9
11	G	29	Very low	30.6	Very low	67 Å²	67	141.9 Å²	141.9	69%	0.691	84%	0.844	S	S	*	*			trans	161.5	86.8	170.7	0	0	0	0	0	115.2	S13	G11-S13 PolarHBondContact O-N 2.89Å
12	S	30.7	Very low	30.4	Very low	121 Å²	121	134.6 Å²	134.6	85%	0.846	82%	0.822	S	S	*	*			trans	-2.8	97.9	152.2	-37.3	0	0	0	0	116.9	Q14	S12-Q14 VanDerWaalsContact C-N 3.31Å; S12-Q14 PolarHBondContact O-N 3.14Å; S12-Q14 VanDerWaalsContact O-N 3.13Å
13	S	31.4	Very low	30.1	Very low	122 Å²	122	138.4 Å²	138.4	85%	0.853	83%	0.83	S	S	*	*			trans	-80.2	80	161.5	57.5	0	0	0	0	109.3	G11	G11-S13 PolarHBondContact O-N 2.89Å
14	Q	31.6	Very low	29.9	Very low	173 Å²	173	135 Å²	135	81%	0.808	83%	0.826	S	S	*	*			trans	-88	100	154	-78.9	-179.2	-14.5	0	0	106	S12 E16	S12-Q14 VanDerWaalsContact C-N 3.31Å; S12-Q14 PolarHBondContact O-N 3.14Å; S12-Q14 VanDerWaalsContact O-N 3.13Å; Q14-E16 VanDerWaalsContact C-N 3.32Å; Q14-E16 PolarHBondContact O-N 2.92Å
15	S	33.9	Very low	29.7	Very low	101 Å²	101	132.7 Å²	132.7	71%	0.706	82%	0.823	S	S	*	*			trans	-70.8	88.7	171.6	51.5	0	0	0	0	108.8	S17	S15-S17 PolarHBondContact O-N 2.77Å
16	E	29.8	Very low	29.7	Very low	188 Å²	188	131.7 Å²	131.7	88%	0.879	83%	0.827	S	S	*	*			trans	-72.5	80.9	154.8	-72.5	-174.9	158.4	0	0	107.3	Q14 D18	Q14-E16 VanDerWaalsContact C-N 3.32Å; Q14-E16 PolarHBondContact O-N 2.92Å; E16-D18 VanDerWaalsContact C-N 3.35Å
17	S	33.6	Very low	29.6	Very low	93 Å²	93	131.8 Å²	131.8	65%	0.65	83%	0.828	S	S	*	*			trans	-101.5	56.8	166.1	67	0	0	0	0	109.1	S15	S15-S17 PolarHBondContact O-N 2.77Å
18	D	28.1	Very low	30	Very low	157 Å²	157	129.8 Å²	129.8	84%	0.84	83%	0.833	S	S	*	*			trans	-125.8	132.5	163.4	-86	-34.8	0	0	0	107.2	E16	E16-D18 VanDerWaalsContact C-N 3.35Å
19	C	30.4	Very low	30	Very low	126 Å²	126	126.6 Å²	126.6	85%	0.851	83%	0.829	S	S	*	*	S	Bend	trans	92	57.7	179.6	-150	0	0	0	0	116.8
20	C	28.8	Very low	29.7	Very low	130 Å²	130	125.2 Å²	125.2	88%	0.878	83%	0.825	S	S	*	*			trans	-156.8	46.4	155.4	-92.4	0	0	0	0	112.7
21	V	29.4	Very low	30	Very low	153 Å²	153	125.7 Å²	125.7	93%	0.927	82%	0.824	S	S	*	*	S	Bend	trans	-130.9	59.4	160.6	-169.3	0	0	0	0	108.3
22	A	29.9	Very low	29.9	Very low	90 Å²	90	131 Å²	131	74%	0.744	83%	0.829	S	S	*	*	S	Bend	trans	-156.7	38.7	172.1	0	0	0	0	0	112
23	M	28.6	Very low	29.5	Very low	196 Å²	196	131.5 Å²	131.5	97%	0.966	82%	0.822	S	S	*	*			trans	-150.3	65.9	161.5	-74.5	-140.5	-178.9	0	0	110.5
24	A	29.5	Very low	29.3	Very low	97 Å²	97	132.7 Å²	132.7	80%	0.802	82%	0.818	S	S	*	*	S	Bend	trans	-135.9	43.5	166.2	0	0	0	0	0	110.3
25	S	30.2	Very low	29	Very low	112 Å²	112	128.9 Å²	128.9	78%	0.783	81%	0.811	S	S	*	*	S	Bend	trans	-160.2	57.8	175.7	-69.3	0	0	0	0	111
26	S	27.1	Very low	28.6	Very low	121 Å²	121	130.9 Å²	130.9	85%	0.846	82%	0.819	S	S	*	*			trans	-164.2	43.8	170.1	-74.4	0	0	0	0	113.4
27	C	27.2	Very low	28.3	Very low	127 Å²	127	125.8 Å²	125.8	86%	0.858	82%	0.816	S	S	*	*			trans	-147.5	82.1	168.4	-67.8	0	0	0	0	110.6
28	S	33	Very low	27.8	Very low	127 Å²	127	124.9 Å²	124.9	89%	0.888	82%	0.821	S	S	*	*			trans	-145.1	79.5	152	-70	0	0	0	0	105.8
29	A	29.6	Very low	27.6	Very low	98 Å²	98	124.6 Å²	124.6	81%	0.81	83%	0.826	S	S	*	*			trans	-65	140	172.1	0	0	0	0	0	109.2	T31	A29-T31 PolarHBondContact O-N 2.9Å
30	A	24.9	Very low	27.6	Very low	98 Å²	98	122.7 Å²	122.7	81%	0.81	82%	0.819	S	S	*	*			trans	-50.1	123	172.3	0	0	0	0	0	112.3
31	T	33.2	Very low	27.5	Very low	142 Å²	142	122.1 Å²	122.1	87%	0.871	82%	0.817	S	S	*	*			trans	-110.5	117.4	150.4	48.2	0	0	0	0	108.1	A29	A29-T31 PolarHBondContact O-N 2.9Å
32	K	26.2	Very low	27.5	Very low	180 Å²	180	121.3 Å²	121.3	78%	0.783	81%	0.812	S	S	*	*			trans	-58.2	155.3	173.8	-79	178.2	168.8	-177.5	0	113.1
33	D	24.1	Very low	27.4	Very low	131 Å²	131	120.3 Å²	120.3	70%	0.701	81%	0.81	S	S	*	*			trans	38.5	116.9	135.1	-51	-33.4	0	0	0	116.9
34	D	25.5	Very low	27.4	Very low	146 Å²	146	118 Å²	118	78%	0.781	80%	0.802	S	S	*	*				177.1	141.1	81.2	-119.4	-42.5	0	0	0	112.3
35	S	27	Very low	27.4	Very low	94 Å²	94	121.4 Å²	121.4	66%	0.657	81%	0.806	S	S	*	*			trans	67.5	112.3	136.8	-68.2	0	0	0	0	123.2
36	V	25.3	Very low	27.7	Very low	143 Å²	143	121.7 Å²	121.7	87%	0.867	81%	0.808	S	S	*	*				69	114.2	125.3	-170.8	0	0	0	0	119.9
37	G	22.6	Very low	28.2	Very low	80 Å²	80	120.4 Å²	120.4	83%	0.825	80%	0.799	S	S	*	*				104.3	116.8	125.8	0	0	0	0	0	116.5
38	G	23.8	Very low	29	Very low	74 Å²	74	118.7 Å²	118.7	76%	0.763	79%	0.788	S	S	*	*			trans	156.5	75.3	165.9	0	0	0	0	0	114.3	A40	G38-A40 PolarHBondContact O-N 2.87Å
39	T	23.6	Very low	29.7	Very low	152 Å²	152	121.8 Å²	121.8	93%	0.933	79%	0.786	S	S	*	*			trans	-48.8	119.4	158.6	33.6	0	0	0	0	111.6
40	A	29.5	Very low	30.6	Very low	85 Å²	85	125.5 Å²	125.5	70%	0.702	79%	0.789	S	S	*	*			trans	-141	90.7	158.4	0	0	0	0	0	108.5	G38 T42	G38-A40 PolarHBondContact O-N 2.87Å; A40-T42 PolarHBondContact O-N 3.1Å
41	S	27.9	Very low	32.6	Very low	119 Å²	119	128.7 Å²	128.7	83%	0.832	79%	0.787	S	S	*	*			trans	9.9	94.6	146.2	46.6	0	0	0	0	116.8	G43	S41-G43 VanDerWaalsContact C-N 3.26Å; S41-G43 PolarHBondContact O-N 3.33Å
42	T	29.2	Very low	34.8	Very low	135 Å²	135	128.2 Å²	128.2	83%	0.828	78%	0.775	S	S	*	*			trans	-71.4	85.4	154.4	34.9	0	0	0	0	108.9	A40 N44	A40-T42 PolarHBondContact O-N 3.1Å; T42-N44 PolarHBondContact O-N 2.87Å
43	G	27.1	Very low	37.7	Very low	69 Å²	69	125.7 Å²	125.7	71%	0.711	77%	0.768	S	S	*	*			trans	-70.5	104.1	159.5	0	0	0	0	0	108.5	S41	S41-G43 VanDerWaalsContact C-N 3.26Å; S41-G43 PolarHBondContact O-N 3.33Å
44	N	29.6	Very low	40.9	Very low	147 Å²	147	122.9 Å²	122.9	79%	0.786	75%	0.751	S	S	*	*			trans	-143.3	67.6	173.2	-108	1	0	0	0	109.6	T42	T42-N44 PolarHBondContact O-N 2.87Å
45	L	29.6	Very low	44.2	Very low	170 Å²	170	116.1 Å²	116.1	89%	0.89	72%	0.716	S	S	*	*			trans	-149.9	65.5	160.4	-75.4	178.5	0	0	0	108.5	S47	L45-S47 VanDerWaalsContact C-N 3.3Å; L45-S47 PolarHBondContact O-N 3.17Å
46	S	35.2	Very low	47.5	Very low	118 Å²	118	113.5 Å²	113.5	83%	0.825	69%	0.692	S	S	*	*			trans	-85.8	87.1	153.1	-161.4	0	0	0	0	106.4	S48	S46-S48 PolarHBondContact O-N 2.88Å
47	S	38	Very low	50.7	Low	94 Å²	94	113.3 Å²	113.3	66%	0.657	69%	0.686	S	S	*	*			trans	-66.3	88	160.2	64.6	0	0	0	0	105.9	L45 F49	L45-S47 VanDerWaalsContact C-N 3.3Å; L45-S47 PolarHBondContact O-N 3.17Å; S47-F49 PolarHBondContact O-N 2.93Å
48	S	43.6	Very low	54.2	Low	90 Å²	90	110.9 Å²	110.9	63%	0.629	66%	0.655	S	S	*	*			trans	-59.8	106.1	169.3	58.3	0	0	0	0	106.1	S46 M50	S46-S48 PolarHBondContact O-N 2.88Å; S48-M50 PolarHBondContact O-N 2.78Å
49	F	47.3	Very low	57.6	Low	192 Å²	192	113 Å²	113	84%	0.842	65%	0.645	S	S	*	*			trans	-49.2	107	163.8	-86.2	-102.2	0	0	0	106.2	S47 E51	S47-F49 PolarHBondContact O-N 2.93Å; F49-E51 VanDerWaalsContact C-N 3.33Å; F49-E51 PolarHBondContact O-N 2.64Å
50	M	48.9	Very low	61.1	Low	177 Å²	177	106.6 Å²	106.6	87%	0.872	60%	0.604	S	S	*	*			trans	-66.3	101.6	172.2	-69.2	-170.8	117.3	0	0	105.6	S48 E52	S48-M50 PolarHBondContact O-N 2.78Å; M50-E52 PolarHBondContact O-N 2.76Å; M50-E52 VanDerWaalsContact O-N 3.14Å
51	E	68.2	Low	64.3	Low	164 Å²	164	105 Å²	105	77%	0.766	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-56.9	119.4	168.4	-73	-171.4	144.6	0	0	107.3	F49 I53	F49-E51 VanDerWaalsContact C-N 3.33Å; F49-E51 PolarHBondContact O-N 2.64Å; E51-I53 PolarHBondContact O-N 2.93Å
52	E	78.9	Confident	67.5	Low	132 Å²	132	104.1 Å²	104.1	62%	0.617	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-58.1	127.5	178.5	-70.8	-178.4	171.9	0	0	109.6	M50 Q54 A92	M50-E52 PolarHBondContact O-N 2.76Å; M50-E52 VanDerWaalsContact O-N 3.14Å; E52-Q54 PolarHBondContact O-N 3.06Å; E52-A92 HydrophobicContact CB-CB 3.83Å
53	I	87.2	Confident	70.7	Confident	127 Å²	127	103 Å²	103	65%	0.651	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-62.1	126.8	-176.9	-55.8	173.7	0	0	0	109	E51	E51-I53 PolarHBondContact O-N 2.93Å
54	Q	91.8	Very high	74	Confident	72 Å²	72	101.7 Å²	101.7	34%	0.336	55%	0.547	S	S	.	.			trans	-81.9	-151.1	179.6	-62.4	-175.3	1.9	0	0	111	E52 M75 R78	E52-Q54 PolarHBondContact O-N 3.06Å; Q54-M75 HydrophobicContact CB-CE 4.16Å; Q54-R78 WeakPolarHBondContact O-CB 3.21Å; Q54-R78 WeakPolarHBondContact O-CD 3.49Å; Q54-R78 PolarHBondContact O-NE 3.23Å
55	G	94.4	Very high	77.2	Confident	4 Å²	4	99.6 Å²	99.6	4%	0.041	53%	0.532	C	S	.	.	S	Bend	trans	-52.6	177.5	-175.1	0	0	0	0	0	116.3	D57 A76 R78	G55-D57 PolarHBondContact O-N 3.3Å; G55-A76 VanDerWaalsContact CA-O 3.23Å; G55-A76 WeakPolarHBondContact CA-O 3.16Å; G55-R78 PolarHBondContact O-NH2 3.22Å
56	Y	95.6	Very high	80.3	Confident	39 Å²	39	96.4 Å²	96.4	15%	0.153	52%	0.524	C	S	.	.	B	Isolated β-bridge	trans	-83.6	109.4	173.8	-62.5	-86.6	0	0	0	110.2	V58 A76 R78 I127 L145	Y56-V58 PolarHBondContact O-N 3.4Å; Y56-A76 HydrophobicContact CD2-CB 4.45Å; Y56-A76 PolarHBondContact N-O 3.22Å; Y56-R78 VanDerWaalsContact CD1-CZ 3.48Å; Y56-R78 HydrophobicContact CD2-CB 4.05Å; Y56-R78 VanDerWaalsContact CE1-CZ 3.43Å; Y56-R78 HydrophobicContact CE2-CB 3.8Å; Y56-R78 HydrophobicContact CE2-CG 3.99Å; Y56-I127 HydrophobicContact CD2-CG2 4.39Å; Y56-I127 HydrophobicContact CE2-CG2 4.37Å; Y56-L145 HydrophobicContact CD1-CD1 3.81Å; Y56-L145 HydrophobicContact CD1-CD2 3.91Å; Y56-L145 HydrophobicContact CD1-CG 4.23Å; Y56-L145 HydrophobicContact CD2-CD2 3.78Å; Y56-L145 HydrophobicContact CE1-CD1 4.18Å; Y56-L145 HydrophobicContact CE1-CD2 4.08Å; Y56-L145 HydrophobicContact CE1-CG 4.26Å; Y56-L145 HydrophobicContact CE2-CD2 3.95Å; Y56-L145 HydrophobicContact CG-CD1 4.29Å; Y56-L145 HydrophobicContact CG-CD2 3.76Å
57	D	93	Very high	83.2	Confident	140 Å²	140	95.6 Å²	95.6	75%	0.749	51%	0.506	S	S	*	.			trans	-87.8	78	173.7	-168.7	14.9	0	0	0	110.2	G55 M75	G55-D57 PolarHBondContact O-N 3.3Å; D57-M75 HydrophobicContact CB-SD 3.65Å
58	V	95.1	Very high	86	Confident	29 Å²	29	92 Å²	92	18%	0.176	48%	0.478	C	S	.	.	S	Bend	trans	-144.4	153.4	-176.7	-62.8	0	0	0	0	110.2	Y56 F60 V132 L145 L148	Y56-V58 PolarHBondContact O-N 3.4Å; V58-F60 HydrophobicContact CG2-CD2 4.13Å; V58-F60 HydrophobicContact CG2-CE1 4.47Å; V58-F60 HydrophobicContact CG2-CE2 3.53Å; V58-F60 HydrophobicContact CG2-CZ 3.72Å; V58-F60 VanDerWaalsContact O-CD2 3.31Å; V58-F60 WeakPolarHBondContact O-CD2 3.49Å; V58-F60 PolarHBondContact O-N 3.3Å; V58-V132 HydrophobicContact CG2-CB 4.25Å; V58-V132 HydrophobicContact CG2-CG1 3.72Å; V58-L145 HydrophobicContact CG2-CD1 4.21Å; V58-L148 HydrophobicContact CG1-CD2 3.61Å
59	E	96.1	Very high	88.6	Confident	117 Å²	117	91.4 Å²	91.4	55%	0.547	47%	0.465	S	S	.	.			trans	-81.6	113.2	176.1	-166	-172.3	159.3	0	0	110.6	V132 K133	E59-V132 CarbonylContact O-C 3.27Å; E59-V132 WeakPolarHBondContact O-CA 3.34Å; E59-K133 HydrophobicContact CB-CB 4.48Å; E59-K133 HydrophobicContact CG-CD 4.33Å; E59-K133 PolarHBondContact O-N 3.2Å; E59-K133 IonicContact OE1-NZ 2.67Å; E59-K133 PolarHBondContact OE1-NZ 3.18Å; E59-K133 IonicContact OE2-NZ 3.56Å
60	F	97.7	Very high	91	Very high	18 Å²	18	82.2 Å²	82.2	8%	0.079	43%	0.425	C	S	.	.	B	Isolated β-bridge	trans	-82.5	143.8	174.6	-68.5	-94.1	0	0	0	111.6	V58 P62 L64 A76 L130 V132 L145	V58-F60 HydrophobicContact CG2-CD2 4.13Å; V58-F60 HydrophobicContact CG2-CE1 4.47Å; V58-F60 HydrophobicContact CG2-CE2 3.53Å; V58-F60 HydrophobicContact CG2-CZ 3.72Å; V58-F60 VanDerWaalsContact O-CD2 3.31Å; V58-F60 WeakPolarHBondContact O-CD2 3.49Å; V58-F60 PolarHBondContact O-N 3.3Å; F60-P62 CarbonylContact C-O 3.49Å; F60-P62 VanDerWaalsContact C-O 3.23Å; F60-P62 WeakPolarHBondContact CB-O 3.25Å; F60-P62 CarbonylContact O-C 3.59Å; F60-L64 HydrophobicContact CB-CB 4.3Å; F60-L64 HydrophobicContact CD1-CD1 4.17Å; F60-L64 HydrophobicContact CD2-CB 4.04Å; F60-L64 HydrophobicContact CD2-CD1 4.22Å; F60-L64 HydrophobicContact CE1-CD1 4.16Å; F60-L64 HydrophobicContact CE2-CD1 4.21Å; F60-L64 HydrophobicContact CG-CB 4.17Å; F60-L64 HydrophobicContact CG-CD1 4.21Å; F60-L64 HydrophobicContact CZ-CD1 4.19Å; F60-A76 HydrophobicContact CE1-CB 4.35Å; F60-A76 HydrophobicContact CE2-CB 3.57Å; F60-A76 HydrophobicContact CZ-CB 3.34Å; F60-L130 HydrophobicContact CD1-CB 3.83Å; F60-L130 HydrophobicContact CD1-CD1 4.03Å; F60-L130 HydrophobicContact CE1-CB 3.91Å; F60-L130 HydrophobicContact CE1-CD1 3.93Å; F60-V132 HydrophobicContact CD1-CG1 3.47Å; F60-V132 VanDerWaalsContact CD1-CG1 3.47Å; F60-V132 HydrophobicContact CE1-CG1 3.52Å; F60-V132 HydrophobicContact CG-CG1 4Å; F60-V132 HydrophobicContact CZ-CG1 4.09Å; F60-L145 HydrophobicContact CE1-CD2 4.2Å; F60-L145 HydrophobicContact CZ-CD2 4.16Å
61	D	95.8	Very high	93.3	Very high	53 Å²	53	76.9 Å²	76.9	28%	0.283	40%	0.404	S	S	.	.	S	Bend	trans	-141.2	102.4	176.9	-166.1	-16.3	0	0	0	111.3	M131 K133 K142	D61-M131 PolarHBondContact N-O 3.28Å; D61-M131 WeakPolarHBondContact O-CB 3.25Å; D61-K133 HydrophobicContact CB-CG 4.48Å; D61-K133 WeakPolarHBondContact OD2-CE 3.39Å; D61-K133 IonicContact OD2-NZ 2.89Å; D61-K142 WeakPolarHBondContact OD2-CE 3.48Å; D61-K142 IonicContact OD2-NZ 3.32Å; D61-K142 PolarHBondContact OD2-NZ 2.86Å
62	P	95.8	Very high	94.6	Very high	100 Å²	100	72 Å²	72	65%	0.649	38%	0.382	S	S	*	.	S	Bend	cis	-69.5	164.1	9.3	30.8	-36.9	0	0	0	113.1	F60	F60-P62 CarbonylContact C-O 3.49Å; F60-P62 VanDerWaalsContact C-O 3.23Å; F60-P62 WeakPolarHBondContact CB-O 3.25Å; F60-P62 CarbonylContact O-C 3.59Å
63	P	96	Very high	95.4	Very high	110 Å²	110	66.8 Å²	66.8	71%	0.714	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-50.9	145.2	178	-27.8	35.3	0	0	0	113.1	E65	P63-E65 PolarHBondContact O-N 3.39Å
64	L	96.6	Very high	95.9	Very high	43 Å²	43	66.3 Å²	66.3	23%	0.225	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-57	129.6	-176.8	-174.5	71.3	0	0	0	111.6	F60 E69 A76 L130	F60-L64 HydrophobicContact CB-CB 4.3Å; F60-L64 HydrophobicContact CD1-CD1 4.17Å; F60-L64 HydrophobicContact CD2-CB 4.04Å; F60-L64 HydrophobicContact CD2-CD1 4.22Å; F60-L64 HydrophobicContact CE1-CD1 4.16Å; F60-L64 HydrophobicContact CE2-CD1 4.21Å; F60-L64 HydrophobicContact CG-CB 4.17Å; F60-L64 HydrophobicContact CG-CD1 4.21Å; F60-L64 HydrophobicContact CZ-CD1 4.19Å; L64-E69 HydrophobicContact CD2-CB 4.3Å; L64-A76 HydrophobicContact CD1-CB 3.88Å; L64-A76 HydrophobicContact CD2-CB 3.7Å; L64-A76 HydrophobicContact CG-CB 4.46Å; L64-L130 HydrophobicContact CD1-CD1 3.77Å
65	E	96.3	Very high	96.1	Very high	102 Å²	102	65 Å²	65	48%	0.477	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-73.4	138.5	171	-65.4	-179.3	-97.1	0	0	110.9	P63 K67 Y68	P63-E65 PolarHBondContact O-N 3.39Å; E65-K67 HydrophobicContact CB-CD 4.44Å; E65-K67 HydrophobicContact CB-CG 4.13Å; E65-K67 PolarHBondContact O-N 3.18Å; E65-K67 WeakPolarHBondContact OE1-CE 3.38Å; E65-K67 IonicContact OE1-NZ 3.36Å; E65-K67 PolarHBondContact OE1-NZ 2.82Å; E65-K67 WeakPolarHBondContact OE2-CE 3.37Å; E65-K67 IonicContact OE2-NZ 3.44Å; E65-K67 PolarHBondContact OE2-NZ 3.06Å; E65-Y68 HydrophobicContact CB-CD2 4.15Å; E65-Y68 PolarHBondContact O-N 3.13Å
66	S	94.7	Very high	96.2	Very high	103 Å²	103	64.9 Å²	64.9	72%	0.72	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-55.9	-25.3	-177.7	58.7	0	0	0	0	114.7	Y68 E69	S66-Y68 PolarHBondContact O-N 2.73Å; S66-E69 WeakPolarHBondContact O-CB 3.32Å; S66-E69 PolarHBondContact O-N 3.29Å; S66-E69 VanDerWaalsContact O-N 3.15Å
67	K	95.9	Very high	96.3	Very high	102 Å²	102	63.1 Å²	63.1	44%	0.443	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-64.5	-18.3	176.2	74.5	-167.2	-175.8	-154.9	0	114	E65	E65-K67 HydrophobicContact CB-CD 4.44Å; E65-K67 HydrophobicContact CB-CG 4.13Å; E65-K67 PolarHBondContact O-N 3.18Å; E65-K67 WeakPolarHBondContact OE1-CE 3.38Å; E65-K67 IonicContact OE1-NZ 3.36Å; E65-K67 PolarHBondContact OE1-NZ 2.82Å; E65-K67 WeakPolarHBondContact OE2-CE 3.37Å; E65-K67 IonicContact OE2-NZ 3.44Å; E65-K67 PolarHBondContact OE2-NZ 3.06Å
68	Y	97.5	Very high	96.5	Very high	19 Å²	19	59.5 Å²	59.5	8%	0.075	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-106	0.3	177.5	-60.1	-53.9	0	0	0	113	E65 S66 A76 L77 E126 I127 L130	E65-Y68 HydrophobicContact CB-CD2 4.15Å; E65-Y68 PolarHBondContact O-N 3.13Å; S66-Y68 PolarHBondContact O-N 2.73Å; Y68-A76 WeakPolarHBondContact O-CA 3.49Å; Y68-L77 VanDerWaalsContact O-CG 3.3Å; Y68-L77 WeakPolarHBondContact O-CG 3.33Å; Y68-L77 PolarHBondContact O-N 3.26Å; Y68-E126 HydrophobicContact CE1-CB 3.79Å; Y68-E126 PolarHBondContact OH-OE2 3.33Å; Y68-I127 HydrophobicContact CD1-CD1 3.96Å; Y68-I127 HydrophobicContact CD1-CG1 3.55Å; Y68-I127 HydrophobicContact CE1-CG1 4.23Å; Y68-I127 HydrophobicContact CG-CD1 4.34Å; Y68-I127 HydrophobicContact CG-CG1 3.83Å; Y68-L130 HydrophobicContact CD2-CD1 3.95Å; Y68-L130 HydrophobicContact CE2-CD1 4.33Å; Y68-L130 HydrophobicContact CE2-CD2 4.38Å
69	E	97.6	Very high	96.6	Very high	76 Å²	76	62.9 Å²	62.9	36%	0.355	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-84.8	136.7	179.1	-169.2	-178	114.7	0	0	110.6	L64 S66 P71	L64-E69 HydrophobicContact CD2-CB 4.3Å; S66-E69 WeakPolarHBondContact O-CB 3.32Å; S66-E69 PolarHBondContact O-N 3.29Å; S66-E69 VanDerWaalsContact O-N 3.15Å; E69-P71 WeakPolarHBondContact O-CD 3.37Å
70	C	98	Very high	96.6	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.309	C	S	.	.			trans	-80.5	124	175.1	-177	0	0	0	0	110.8	I72 C73 L74 M75 L77 C90	C70-I72 PolarHBondContact O-N 3.08Å; C70-C73 VanDerWaalsContact CB-SG 3.55Å; C70-L74 VanDerWaalsContact O-CA 3.23Å; C70-L74 WeakPolarHBondContact O-CA 3.36Å; C70-L74 PolarHBondContact O-N 3.11Å; C70-M75 WeakPolarHBondContact CB-O 3.34Å; C70-M75 PolarHBondContact N-O 3.13Å; C70-L77 HydrophobicContact CB-CD2 3.64Å; C70-L77 HydrophobicContact CB-CG 4.3Å; C70-C90 PolarHBondContact SG-N 3.31Å; C70-C90 VanDerWaalsContact SG-N 3.42Å
71	P	96.3	Very high	96.7	Very high	65 Å²	65	57 Å²	57	42%	0.422	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-12.5	179.3	-23.5	33.9	0	0	0	115.5	E69 R88 F89 V107	E69-P71 WeakPolarHBondContact O-CD 3.37Å; P71-R88 VanDerWaalsContact CD-O 3.27Å; P71-R88 WeakPolarHBondContact CD-O 3.03Å; P71-F89 HydrophobicContact CB-CE1 4.1Å; P71-F89 HydrophobicContact CG-CD1 4.33Å; P71-F89 HydrophobicContact CG-CE1 3.97Å; P71-V107 HydrophobicContact CB-CG2 4.05Å; P71-V107 HydrophobicContact CG-CG2 4.03Å
72	I	96.5	Very high	96.8	Very high	61 Å²	61	57.7 Å²	57.7	31%	0.313	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-51.4	-178.4	-61.4	168	0	0	0	111.2	C70 F89 C93 I94 P106	C70-I72 PolarHBondContact O-N 3.08Å; I72-F89 HydrophobicContact CD1-CB 4.45Å; I72-F89 HydrophobicContact CD1-CD1 3.54Å; I72-F89 HydrophobicContact CD1-CE1 4.12Å; I72-F89 HydrophobicContact CD1-CG 4.21Å; I72-F89 HydrophobicContact CG1-CD1 3.8Å; I72-F89 HydrophobicContact CG1-CE1 4.13Å; I72-C93 HydrophobicContact CB-CB 3.93Å; I72-C93 HydrophobicContact CD1-CB 3.85Å; I72-C93 HydrophobicContact CG1-CB 4.5Å; I72-C93 HydrophobicContact CG2-CB 3.88Å; I72-I94 HydrophobicContact CD1-CB 4.33Å; I72-I94 HydrophobicContact CD1-CD1 4.12Å; I72-P106 HydrophobicContact CD1-CG 4.16Å; I72-P106 HydrophobicContact CG1-CG 4.34Å
73	C	96.5	Very high	96.8	Very high	22 Å²	22	53.1 Å²	53.1	15%	0.149	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-6.5	-176.7	66.6	0	0	0	0	114.1	C70 M75 C90 C93	C70-C73 VanDerWaalsContact CB-SG 3.55Å; C73-M75 HydrophobicContact CB-CE 3.66Å; C73-M75 PolarHBondContact O-N 3.42Å; C73-M75 VanDerWaalsContact O-N 3.15Å; C73-C90 VanDerWaalsContact SG-SG 3.69Å; C73-C93 VanDerWaalsContact SG-SG 3.68Å
74	L	95.9	Very high	96.8	Very high	117 Å²	117	51.9 Å²	51.9	61%	0.613	27%	0.272	S	S	*	.	S	Bend	trans	58.3	22.4	179.4	-49.1	-180	0	0	0	114.6	C70	C70-L74 VanDerWaalsContact O-CA 3.23Å; C70-L74 WeakPolarHBondContact O-CA 3.36Å; C70-L74 PolarHBondContact O-N 3.11Å
75	M	96.8	Very high	96.8	Very high	45 Å²	45	52.2 Å²	52.2	22%	0.222	28%	0.277	C	S	.	.	S	Bend	trans	-113.7	169.7	175.3	-67.1	179.7	-78.1	0	0	110.3	Q54 D57 C70 C73 L77	Q54-M75 HydrophobicContact CB-CE 4.16Å; D57-M75 HydrophobicContact CB-SD 3.65Å; C70-M75 WeakPolarHBondContact CB-O 3.34Å; C70-M75 PolarHBondContact N-O 3.13Å; C73-M75 HydrophobicContact CB-CE 3.66Å; C73-M75 PolarHBondContact O-N 3.42Å; C73-M75 VanDerWaalsContact O-N 3.15Å; M75-L77 PolarHBondContact O-N 2.92Å
76	A	97.5	Very high	96.8	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.008	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-59	137.9	173.3	0	0	0	0	0	111.7	G55 Y56 F60 L64 Y68 R78 I127	G55-A76 VanDerWaalsContact CA-O 3.23Å; G55-A76 WeakPolarHBondContact CA-O 3.16Å; Y56-A76 HydrophobicContact CD2-CB 4.45Å; Y56-A76 PolarHBondContact N-O 3.22Å; F60-A76 HydrophobicContact CE1-CB 4.35Å; F60-A76 HydrophobicContact CE2-CB 3.57Å; F60-A76 HydrophobicContact CZ-CB 3.34Å; L64-A76 HydrophobicContact CD1-CB 3.88Å; L64-A76 HydrophobicContact CD2-CB 3.7Å; L64-A76 HydrophobicContact CG-CB 4.46Å; Y68-A76 WeakPolarHBondContact O-CA 3.49Å; A76-R78 PolarHBondContact O-N 3.44Å; A76-R78 VanDerWaalsContact O-N 3.16Å; A76-I127 HydrophobicContact CB-CG2 4.43Å
77	L	98	Very high	96.9	Very high	3 Å²	3	47 Å²	47	2%	0.016	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-60	117.6	-174.5	-61.9	153.2	0	0	0	111.6	Y68 C70 M75 A80 R88 I127	Y68-L77 VanDerWaalsContact O-CG 3.3Å; Y68-L77 WeakPolarHBondContact O-CG 3.33Å; Y68-L77 PolarHBondContact O-N 3.26Å; C70-L77 HydrophobicContact CB-CD2 3.64Å; C70-L77 HydrophobicContact CB-CG 4.3Å; M75-L77 PolarHBondContact O-N 2.92Å; L77-A80 HydrophobicContact CB-CB 3.86Å; L77-A80 HydrophobicContact CD1-CB 4.34Å; L77-R88 HydrophobicContact CD1-CB 3.8Å; L77-R88 HydrophobicContact CD2-CB 4.29Å; L77-I127 HydrophobicContact CB-CD1 3.63Å; L77-I127 HydrophobicContact CD1-CD1 4.06Å; L77-I127 HydrophobicContact CG-CD1 4.34Å
78	R	96.9	Very high	97	Very high	63 Å²	63	46 Å²	46	24%	0.238	24%	0.244	C	C	.	.	S	Bend	trans	-94.2	130.7	167.7	-175.1	-178.4	-55.9	-96.6	0.1	110.1	Q54 G55 Y56 A76 A80 C90 K91	Q54-R78 WeakPolarHBondContact O-CB 3.21Å; Q54-R78 WeakPolarHBondContact O-CD 3.49Å; Q54-R78 PolarHBondContact O-NE 3.23Å; G55-R78 PolarHBondContact O-NH2 3.22Å; Y56-R78 VanDerWaalsContact CD1-CZ 3.48Å; Y56-R78 HydrophobicContact CD2-CB 4.05Å; Y56-R78 VanDerWaalsContact CE1-CZ 3.43Å; Y56-R78 HydrophobicContact CE2-CB 3.8Å; Y56-R78 HydrophobicContact CE2-CG 3.99Å; A76-R78 PolarHBondContact O-N 3.44Å; A76-R78 VanDerWaalsContact O-N 3.16Å; R78-A80 VanDerWaalsContact C-N 3.32Å; R78-A80 PolarHBondContact O-N 3.41Å; R78-C90 PolarHBondContact N-SG 2.82Å; R78-C90 WeakPolarHBondContact O-CA 3.37Å; R78-C90 WeakPolarHBondContact O-CB 3.47Å; R78-K91 PolarHBondContact O-N 3.43Å
79	E	96.1	Very high	97	Very high	100 Å²	100	45.1 Å²	45.1	47%	0.467	24%	0.241	S	C	.	.	S	Bend	trans	47.8	57	-173.7	-65.5	-174.1	-160.7	0	0	110.8	V81 K91	E79-V81 PolarHBondContact O-N 3.49Å; E79-K91 HydrophobicContact CB-CB 3.88Å; E79-K91 HydrophobicContact CB-CD 4.46Å; E79-K91 WeakPolarHBondContact O-CB 3.49Å; E79-K91 PolarHBondContact O-N 3.42Å; E79-K91 WeakPolarHBondContact OE2-CD 3.42Å; E79-K91 IonicContact OE2-NZ 2.7Å
80	A	97.5	Very high	97.1	Very high	3 Å²	3	41.5 Å²	41.5	3%	0.025	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.5	128.9	-174.8	0	0	0	0	0	111.6	L77 R78 D120 A123	L77-A80 HydrophobicContact CB-CB 3.86Å; L77-A80 HydrophobicContact CD1-CB 4.34Å; R78-A80 VanDerWaalsContact C-N 3.32Å; R78-A80 PolarHBondContact O-N 3.41Å; A80-D120 HydrophobicContact CB-CB 4.33Å; A80-D120 PolarHBondContact O-N 3.37Å; A80-A123 HydrophobicContact CB-CB 4.13Å
81	V	97.9	Very high	97	Very high	8 Å²	8	45.9 Å²	45.9	5%	0.048	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	146	171.1	-64.3	0	0	0	0	109.6	E79 R88 F89 K91 I94 L117 F118	E79-V81 PolarHBondContact O-N 3.49Å; V81-R88 VanDerWaalsContact O-CA 3.28Å; V81-R88 WeakPolarHBondContact O-CA 3.47Å; V81-F89 HydrophobicContact CG2-CB 4.47Å; V81-F89 WeakPolarHBondContact CG2-O 3.28Å; V81-F89 PolarHBondContact N-O 3Å; V81-F89 PolarHBondContact O-N 2.91Å; V81-K91 HydrophobicContact CG1-CB 4.02Å; V81-K91 HydrophobicContact CG1-CG 4.23Å; V81-I94 HydrophobicContact CG2-CG2 3.53Å; V81-L117 HydrophobicContact CB-CB 4.48Å; V81-L117 HydrophobicContact CG2-CD2 4.47Å; V81-F118 CarbonylContact C-O 3.56Å; V81-F118 VanDerWaalsContact CA-O 3.26Å; V81-F118 WeakPolarHBondContact CA-O 3.21Å
82	Q	97.8	Very high	97	Very high	69 Å²	69	43.4 Å²	43.4	32%	0.322	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	136.9	175.4	-167.9	174.1	22.5	0	0	110	G86 H87 R88 F118 D120	Q82-G86 PolarHBondContact NE2-O 3.33Å; Q82-H87 WeakPolarHBondContact CA-O 3.31Å; Q82-R88 HydrophobicContact CG-CG 4.5Å; Q82-F118 PolarHBondContact N-O 3.37Å; Q82-F118 PolarHBondContact O-N 3.23Å; Q82-D120 HydrophobicContact CB-CB 4.26Å
83	T	97.2	Very high	97.1	Very high	4 Å²	4	40.6 Å²	40.6	3%	0.025	21%	0.214	C	C	.	.			trans	-87.6	162.2	174.4	63.4	0	0	0	0	111	C85 G86 H87 F89 L112 L117	T83-C85 PolarHBondContact O-N 3.07Å; T83-C85 PolarHBondContact OG1-SG 2.83Å; T83-G86 PolarHBondContact O-N 3.28Å; T83-H87 PolarHBondContact N-O 3.46Å; T83-H87 PolarHBondContact OG1-N 2.88Å; T83-H87 VanDerWaalsContact OG1-N 3.16Å; T83-H87 PolarHBondContact OG1-O 2.87Å; T83-F89 HydrophobicContact CG2-CD2 3.86Å; T83-F89 HydrophobicContact CG2-CE2 3.65Å; T83-L112 HydrophobicContact CG2-CD1 3.84Å; T83-L112 HydrophobicContact CG2-CD2 3.51Å; T83-L112 HydrophobicContact CG2-CG 4.34Å; T83-L117 HydrophobicContact CG2-CD2 4.05Å
84	P	96.5	Very high	97.1	Very high	84 Å²	84	39.6 Å²	39.6	55%	0.545	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-28.6	174.6	-24.2	34.6	0	0	0	113.9	G86 Q116 F118	P84-G86 PolarHBondContact O-N 2.92Å; P84-Q116 HydrophobicContact CG-CB 3.9Å; P84-F118 HydrophobicContact CG-CE2 4.47Å
85	C	96.2	Very high	97.1	Very high	50 Å²	50	34.9 Å²	34.9	34%	0.338	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-0.8	174	59.7	0	0	0	0	113.9	T83 H87 C105 D108	T83-C85 PolarHBondContact O-N 3.07Å; T83-C85 PolarHBondContact OG1-SG 2.83Å; C85-H87 PolarHBondContact SG-ND1 3.27Å; C85-H87 VanDerWaalsContact SG-ND1 3.37Å; C85-C105 VanDerWaalsContact SG-SG 3.6Å; C85-D108 WeakPolarHBondContact CB-OD2 3.49Å; C85-D108 PolarHBondContact SG-OD2 3.08Å
86	G	95.2	Very high	97	Very high	36 Å²	36	37.4 Å²	37.4	37%	0.371	19%	0.192	S	C	.	.	S	Bend	trans	94.6	-2.7	171.8	0	0	0	0	0	115.5	Q82 T83 P84	Q82-G86 PolarHBondContact NE2-O 3.33Å; T83-G86 PolarHBondContact O-N 3.28Å; P84-G86 PolarHBondContact O-N 2.92Å
87	H	97.7	Very high	97	Very high	58 Å²	58	38.5 Å²	38.5	27%	0.269	20%	0.2	S	C	.	.			trans	-80.5	150.8	-179.8	-64.5	108	0	0	0	112.5	Q82 T83 C85 F89 V107 D108	Q82-H87 WeakPolarHBondContact CA-O 3.31Å; T83-H87 PolarHBondContact N-O 3.46Å; T83-H87 PolarHBondContact OG1-N 2.88Å; T83-H87 VanDerWaalsContact OG1-N 3.16Å; T83-H87 PolarHBondContact OG1-O 2.87Å; C85-H87 PolarHBondContact SG-ND1 3.27Å; C85-H87 VanDerWaalsContact SG-ND1 3.37Å; H87-F89 HydrophobicContact CB-CE2 3.66Å; H87-F89 HydrophobicContact CB-CZ 3.88Å; H87-V107 VanDerWaalsContact NE2-CG1 3.29Å; H87-V107 WeakPolarHBondContact NE2-CG1 3.38Å; H87-D108 IonicContact CE1-OD2 3.29Å; H87-D108 PolarHBondContact CE1-OD2 2.97Å; H87-D108 IonicContact ND1-OD2 2.86Å; H87-D108 PolarHBondContact ND1-OD2 3.29Å; H87-D108 VanDerWaalsContact ND1-OD2 3.11Å
88	R	97.9	Very high	96.8	Very high	82 Å²	82	38.6 Å²	38.6	31%	0.309	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	139.9	-177.2	-66.5	178.7	174.4	116.2	3.5	112.2	P71 L77 V81 Q82 D120	P71-R88 VanDerWaalsContact CD-O 3.27Å; P71-R88 WeakPolarHBondContact CD-O 3.03Å; L77-R88 HydrophobicContact CD1-CB 3.8Å; L77-R88 HydrophobicContact CD2-CB 4.29Å; V81-R88 VanDerWaalsContact O-CA 3.28Å; V81-R88 WeakPolarHBondContact O-CA 3.47Å; Q82-R88 HydrophobicContact CG-CG 4.5Å; R88-D120 IonicContact CZ-OD2 3.07Å; R88-D120 IonicContact NE-OD2 2.73Å; R88-D120 PolarHBondContact NE-OD2 3.05Å; R88-D120 IonicContact NH2-OD2 3.11Å; R88-D120 PolarHBondContact NH2-OD2 3.21Å; R88-D120 VanDerWaalsContact NH2-OD2 3.11Å
89	F	98.1	Very high	96.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	160.5	178.3	-54.4	-84.1	0	0	0	111.8	P71 I72 V81 T83 H87 I94 P106 V107	P71-F89 HydrophobicContact CB-CE1 4.1Å; P71-F89 HydrophobicContact CG-CD1 4.33Å; P71-F89 HydrophobicContact CG-CE1 3.97Å; I72-F89 HydrophobicContact CD1-CB 4.45Å; I72-F89 HydrophobicContact CD1-CD1 3.54Å; I72-F89 HydrophobicContact CD1-CE1 4.12Å; I72-F89 HydrophobicContact CD1-CG 4.21Å; I72-F89 HydrophobicContact CG1-CD1 3.8Å; I72-F89 HydrophobicContact CG1-CE1 4.13Å; V81-F89 HydrophobicContact CG2-CB 4.47Å; V81-F89 WeakPolarHBondContact CG2-O 3.28Å; V81-F89 PolarHBondContact N-O 3Å; V81-F89 PolarHBondContact O-N 2.91Å; T83-F89 HydrophobicContact CG2-CD2 3.86Å; T83-F89 HydrophobicContact CG2-CE2 3.65Å; H87-F89 HydrophobicContact CB-CE2 3.66Å; H87-F89 HydrophobicContact CB-CZ 3.88Å; F89-I94 HydrophobicContact CB-CB 3.65Å; F89-I94 HydrophobicContact CB-CG1 4.32Å; F89-I94 HydrophobicContact CB-CG2 4.09Å; F89-I94 HydrophobicContact CD1-CD1 4.32Å; F89-I94 HydrophobicContact CD2-CB 4.24Å; F89-I94 HydrophobicContact CD2-CD1 3.83Å; F89-I94 HydrophobicContact CD2-CG1 3.96Å; F89-I94 HydrophobicContact CE1-CD1 4.48Å; F89-I94 HydrophobicContact CE2-CD1 4.03Å; F89-I94 HydrophobicContact CG-CB 3.99Å; F89-I94 HydrophobicContact CG-CD1 3.98Å; F89-I94 HydrophobicContact CG-CG1 4.16Å; F89-I94 HydrophobicContact CZ-CD1 4.35Å; F89-P106 HydrophobicContact CE1-CB 4.48Å; F89-P106 HydrophobicContact CE1-CG 4.33Å; F89-V107 HydrophobicContact CE1-CG2 3.88Å; F89-V107 HydrophobicContact CZ-CG2 3.66Å
90	C	98.1	Very high	96.6	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.007	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	138.2	162.8	-55.3	0	0	0	0	108.1	C70 C73 R78 A92 C93 I94	C70-C90 PolarHBondContact SG-N 3.31Å; C70-C90 VanDerWaalsContact SG-N 3.42Å; C73-C90 VanDerWaalsContact SG-SG 3.69Å; R78-C90 PolarHBondContact N-SG 2.82Å; R78-C90 WeakPolarHBondContact O-CA 3.37Å; R78-C90 WeakPolarHBondContact O-CB 3.47Å; C90-A92 PolarHBondContact O-N 3.25Å; C90-C93 HydrophobicContact CB-CB 3.91Å; C90-C93 PolarHBondContact O-N 3.5Å; C90-C93 VanDerWaalsContact O-N 3.11Å; C90-I94 PolarHBondContact O-N 2.91Å
91	K	97	Very high	96.3	Very high	91 Å²	91	47.2 Å²	47.2	40%	0.396	25%	0.25	S	S	.	.	H	α-helix	trans	-52.1	-52.1	179.1	-175.8	-174.4	175	-167.7	0	112.5	R78 E79 V81 C93 I94 I95	R78-K91 PolarHBondContact O-N 3.43Å; E79-K91 HydrophobicContact CB-CB 3.88Å; E79-K91 HydrophobicContact CB-CD 4.46Å; E79-K91 WeakPolarHBondContact O-CB 3.49Å; E79-K91 PolarHBondContact O-N 3.42Å; E79-K91 WeakPolarHBondContact OE2-CD 3.42Å; E79-K91 IonicContact OE2-NZ 2.7Å; V81-K91 HydrophobicContact CG1-CB 4.02Å; V81-K91 HydrophobicContact CG1-CG 4.23Å; K91-C93 VanDerWaalsContact C-N 3.32Å; K91-C93 PolarHBondContact O-N 3.28Å; K91-I94 WeakPolarHBondContact O-CG2 3.42Å; K91-I94 PolarHBondContact O-N 3.44Å; K91-I95 HydrophobicContact CG-CD1 3.71Å; K91-I95 WeakPolarHBondContact O-CB 3.35Å; K91-I95 VanDerWaalsContact O-CG1 3.26Å; K91-I95 WeakPolarHBondContact O-CG1 3.48Å; K91-I95 PolarHBondContact O-N 3.47Å
92	A	96.6	Very high	96	Very high	14 Å²	14	48.4 Å²	48.4	12%	0.116	26%	0.264	C	S	.	.	H	α-helix	trans	-59.6	-41.4	178.8	0	0	0	0	0	112.3	E52 C90 K96	E52-A92 HydrophobicContact CB-CB 3.83Å; C90-A92 PolarHBondContact O-N 3.25Å; A92-K96 VanDerWaalsContact O-CB 3.26Å; A92-K96 WeakPolarHBondContact O-CB 3.34Å; A92-K96 PolarHBondContact O-N 3.28Å
93	C	97.5	Very high	95.9	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.014	27%	0.274	C	S	.	.	H	α-helix	trans	-65.1	-47.1	-179.4	-66.3	0	0	0	0	112.5	I72 C73 C90 K91 S97	I72-C93 HydrophobicContact CB-CB 3.93Å; I72-C93 HydrophobicContact CD1-CB 3.85Å; I72-C93 HydrophobicContact CG1-CB 4.5Å; I72-C93 HydrophobicContact CG2-CB 3.88Å; C73-C93 VanDerWaalsContact SG-SG 3.68Å; C90-C93 HydrophobicContact CB-CB 3.91Å; C90-C93 PolarHBondContact O-N 3.5Å; C90-C93 VanDerWaalsContact O-N 3.11Å; K91-C93 VanDerWaalsContact C-N 3.32Å; K91-C93 PolarHBondContact O-N 3.28Å; C93-S97 WeakPolarHBondContact O-CB 3.36Å; C93-S97 PolarHBondContact O-N 2.8Å
94	I	97	Very high	95.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-73.6	-36.1	-177.3	-168.4	60.6	0	0	0	112	I72 V81 F89 C90 K91 S97 I98 P106 L112 L117	I72-I94 HydrophobicContact CD1-CB 4.33Å; I72-I94 HydrophobicContact CD1-CD1 4.12Å; V81-I94 HydrophobicContact CG2-CG2 3.53Å; F89-I94 HydrophobicContact CB-CB 3.65Å; F89-I94 HydrophobicContact CB-CG1 4.32Å; F89-I94 HydrophobicContact CB-CG2 4.09Å; F89-I94 HydrophobicContact CD1-CD1 4.32Å; F89-I94 HydrophobicContact CD2-CB 4.24Å; F89-I94 HydrophobicContact CD2-CD1 3.83Å; F89-I94 HydrophobicContact CD2-CG1 3.96Å; F89-I94 HydrophobicContact CE1-CD1 4.48Å; F89-I94 HydrophobicContact CE2-CD1 4.03Å; F89-I94 HydrophobicContact CG-CB 3.99Å; F89-I94 HydrophobicContact CG-CD1 3.98Å; F89-I94 HydrophobicContact CG-CG1 4.16Å; F89-I94 HydrophobicContact CZ-CD1 4.35Å; C90-I94 PolarHBondContact O-N 2.91Å; K91-I94 WeakPolarHBondContact O-CG2 3.42Å; K91-I94 PolarHBondContact O-N 3.44Å; I94-S97 PolarHBondContact O-N 3.35Å; I94-I98 HydrophobicContact CD1-CG1 4.44Å; I94-I98 HydrophobicContact CG1-CD1 4.03Å; I94-I98 HydrophobicContact CG1-CG1 4.37Å; I94-I98 WeakPolarHBondContact O-CB 3.36Å; I94-I98 VanDerWaalsContact O-CG1 3.26Å; I94-I98 WeakPolarHBondContact O-CG1 3.37Å; I94-I98 PolarHBondContact O-N 3.13Å; I94-P106 HydrophobicContact CD1-CG 4.01Å; I94-L112 HydrophobicContact CD1-CD2 3.91Å; I94-L112 HydrophobicContact CG1-CD2 4.04Å; I94-L117 HydrophobicContact CG1-CD2 4.06Å; I94-L117 HydrophobicContact CG2-CD1 3.69Å; I94-L117 HydrophobicContact CG2-CD2 4.13Å
95	I	95.9	Very high	95.8	Very high	18 Å²	18	50.5 Å²	50.5	9%	0.092	27%	0.265	C	S	.	.	H	α-helix	trans	-61.8	-48	174.5	-69.7	174.7	0	0	0	109.9	K91 S97 I98 R99 E114 L117	K91-I95 HydrophobicContact CG-CD1 3.71Å; K91-I95 WeakPolarHBondContact O-CB 3.35Å; K91-I95 VanDerWaalsContact O-CG1 3.26Å; K91-I95 WeakPolarHBondContact O-CG1 3.48Å; K91-I95 PolarHBondContact O-N 3.47Å; I95-S97 VanDerWaalsContact C-N 3.35Å; I95-S97 PolarHBondContact O-N 3.25Å; I95-I98 PolarHBondContact O-N 3.24Å; I95-R99 VanDerWaalsContact CG2-CZ 3.44Å; I95-R99 VanDerWaalsContact O-CG 3.31Å; I95-R99 WeakPolarHBondContact O-CG 3.35Å; I95-R99 PolarHBondContact O-N 2.87Å; I95-R99 VanDerWaalsContact O-N 3.07Å; I95-E114 HydrophobicContact CG1-CG 4.21Å; I95-L117 HydrophobicContact CG1-CD1 4.03Å
96	K	95.1	Very high	95.7	Very high	98 Å²	98	50.7 Å²	50.7	43%	0.426	27%	0.265	S	S	.	.	H	α-helix	trans	-59.2	-45.6	175.3	-174.2	172.4	-178.1	173.9	0	111.4	A92 I98 R99 D100	A92-K96 VanDerWaalsContact O-CB 3.26Å; A92-K96 WeakPolarHBondContact O-CB 3.34Å; A92-K96 PolarHBondContact O-N 3.28Å; K96-I98 PolarHBondContact O-N 3.07Å; K96-R99 PolarHBondContact O-N 3.47Å; K96-D100 VanDerWaalsContact CE-OD2 3.26Å; K96-D100 WeakPolarHBondContact CE-OD2 3.41Å; K96-D100 WeakPolarHBondContact CG-OD2 3.05Å; K96-D100 VanDerWaalsContact O-CB 3.31Å; K96-D100 WeakPolarHBondContact O-CB 3.49Å; K96-D100 VanDerWaalsContact O-CG 3.28Å; K96-D100 PolarHBondContact O-N 3.19Å
97	S	96.1	Very high	95.7	Very high	25 Å²	25	52 Å²	52	18%	0.175	27%	0.266	C	S	.	.	H	α-helix	trans	-61.4	-41.4	177.5	-174.9	0	0	0	0	113.3	C93 I94 I95 R99 A101 G102 P106	C93-S97 WeakPolarHBondContact O-CB 3.36Å; C93-S97 PolarHBondContact O-N 2.8Å; I94-S97 PolarHBondContact O-N 3.35Å; I95-S97 VanDerWaalsContact C-N 3.35Å; I95-S97 PolarHBondContact O-N 3.25Å; S97-R99 VanDerWaalsContact C-N 3.31Å; S97-A101 WeakPolarHBondContact O-CA 3.39Å; S97-A101 WeakPolarHBondContact O-CB 3.43Å; S97-A101 PolarHBondContact O-N 3.47Å; S97-G102 PolarHBondContact O-N 2.9Å; S97-P106 WeakPolarHBondContact OG-CG 3.44Å
98	I	95.5	Very high	95.7	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-64.2	-40.2	178.1	-72.5	170	0	0	0	110.4	I94 I95 K96 G102 L112 L117	I94-I98 HydrophobicContact CD1-CG1 4.44Å; I94-I98 HydrophobicContact CG1-CD1 4.03Å; I94-I98 HydrophobicContact CG1-CG1 4.37Å; I94-I98 WeakPolarHBondContact O-CB 3.36Å; I94-I98 VanDerWaalsContact O-CG1 3.26Å; I94-I98 WeakPolarHBondContact O-CG1 3.37Å; I94-I98 PolarHBondContact O-N 3.13Å; I95-I98 PolarHBondContact O-N 3.24Å; K96-I98 PolarHBondContact O-N 3.07Å; I98-G102 WeakPolarHBondContact CA-O 3.36Å; I98-G102 CarbonylContact O-C 3.56Å; I98-G102 VanDerWaalsContact O-C 3.27Å; I98-G102 WeakPolarHBondContact O-CA 3.39Å; I98-G102 PolarHBondContact O-N 3.47Å; I98-L112 HydrophobicContact CD1-CD2 4.01Å; I98-L112 HydrophobicContact CD1-CG 4.04Å; I98-L112 HydrophobicContact CG1-CD2 4.48Å; I98-L117 HydrophobicContact CD1-CD1 4.21Å; I98-L117 HydrophobicContact CD1-CD2 4.47Å
99	R	93.8	Very high	95.5	Very high	166 Å²	166	53 Å²	53	63%	0.626	28%	0.279	S	S	*	.	H	α-helix	trans	-72.6	-41.6	179.8	-69.2	176	-175	-178.6	6.8	112.7	I95 K96 S97 E114	I95-R99 VanDerWaalsContact CG2-CZ 3.44Å; I95-R99 VanDerWaalsContact O-CG 3.31Å; I95-R99 WeakPolarHBondContact O-CG 3.35Å; I95-R99 PolarHBondContact O-N 2.87Å; I95-R99 VanDerWaalsContact O-N 3.07Å; K96-R99 PolarHBondContact O-N 3.47Å; S97-R99 VanDerWaalsContact C-N 3.31Å; R99-E114 IonicContact CZ-OE1 3.35Å; R99-E114 IonicContact CZ-OE2 3.77Å; R99-E114 IonicContact NE-OE2 2.75Å; R99-E114 PolarHBondContact NE-OE2 2.98Å; R99-E114 IonicContact NH2-OE1 3.11Å; R99-E114 PolarHBondContact NH2-OE1 2.81Å; R99-E114 IonicContact NH2-OE2 3.95Å; R99-E114 PolarHBondContact NH2-OE2 3.4Å
100	D	94.2	Very high	95.3	Very high	119 Å²	119	58.8 Å²	58.8	64%	0.636	31%	0.306	S	S	*	.	H	α-helix	trans	-91.2	-38.6	-171.6	-64.1	-9	0	0	0	112.7	K96	K96-D100 VanDerWaalsContact CE-OD2 3.26Å; K96-D100 WeakPolarHBondContact CE-OD2 3.41Å; K96-D100 WeakPolarHBondContact CG-OD2 3.05Å; K96-D100 VanDerWaalsContact O-CB 3.31Å; K96-D100 WeakPolarHBondContact O-CB 3.49Å; K96-D100 VanDerWaalsContact O-CG 3.28Å; K96-D100 PolarHBondContact O-N 3.19Å
101	A	91.5	Very high	95.2	Very high	63 Å²	63	65.2 Å²	65.2	52%	0.521	34%	0.339	S	S	.	.	H	α-helix	trans	-109.9	-1.7	-173.3	0	0	0	0	0	114.2	S97	S97-A101 WeakPolarHBondContact O-CA 3.39Å; S97-A101 WeakPolarHBondContact O-CB 3.43Å; S97-A101 PolarHBondContact O-N 3.47Å
102	G	91.3	Very high	95.1	Very high	32 Å²	32	61 Å²	61	33%	0.33	32%	0.321	S	S	.	.			trans	100.5	167.2	175.4	0	0	0	0	0	114.9	S97 I98 K104	S97-G102 PolarHBondContact O-N 2.9Å; I98-G102 WeakPolarHBondContact CA-O 3.36Å; I98-G102 CarbonylContact O-C 3.56Å; I98-G102 VanDerWaalsContact O-C 3.27Å; I98-G102 WeakPolarHBondContact O-CA 3.39Å; I98-G102 PolarHBondContact O-N 3.47Å; G102-K104 PolarHBondContact O-N 3.37Å
103	H	94.9	Very high	95	Very high	116 Å²	116	63.4 Å²	63.4	54%	0.537	33%	0.331	S	S	.	.	S	Bend	trans	-72.3	64.2	-173.4	-62.6	171.7	0	0	0	114	I111 L112 L113	H103-I111 WeakPolarHBondContact O-CA 3.42Å; H103-L112 CarbonylContact C-O 3.58Å; H103-L112 VanDerWaalsContact CA-O 3.27Å; H103-L112 WeakPolarHBondContact CA-O 3.48Å; H103-L112 WeakPolarHBondContact CB-O 3.26Å; H103-L112 PolarHBondContact O-N 3.01Å; H103-L113 HydrophobicContact CB-CD2 4.03Å; H103-L113 WeakPolarHBondContact ND1-CD2 3.44Å
104	K	95.5	Very high	94.8	Very high	86 Å²	86	66.9 Å²	66.9	37%	0.374	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-144.8	150.4	179.8	61.3	-179.7	-179.5	170.8	0	111.8	G102 P106 E110	G102-K104 PolarHBondContact O-N 3.37Å; K104-P106 WeakPolarHBondContact O-CD 3.41Å; K104-E110 CarbonylContact C-O 3.57Å; K104-E110 WeakPolarHBondContact CA-O 3.44Å
105	C	96.8	Very high	94.7	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	38%	0.381	C	S	.	.			trans	-70.4	127.2	169.6	172.4	0	0	0	0	109.7	C85 V107 D108 N109 E110 L112	C85-C105 VanDerWaalsContact SG-SG 3.6Å; C105-V107 PolarHBondContact O-N 3.49Å; C105-V107 VanDerWaalsContact O-N 3.13Å; C105-D108 WeakPolarHBondContact CB-OD1 3.3Å; C105-D108 PolarHBondContact SG-OD1 2.8Å; C105-N109 VanDerWaalsContact O-CA 3.23Å; C105-N109 WeakPolarHBondContact O-CA 3.42Å; C105-N109 PolarHBondContact O-N 2.96Å; C105-E110 PolarHBondContact N-O 2.85Å; C105-L112 HydrophobicContact CB-CB 4.38Å; C105-L112 HydrophobicContact CB-CD2 4.16Å
106	P	95	Very high	94.7	Very high	53 Å²	53	75.5 Å²	75.5	34%	0.344	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-14	-179.2	-26.5	36.7	0	0	0	115.6	I72 F89 I94 S97 K104	I72-P106 HydrophobicContact CD1-CG 4.16Å; I72-P106 HydrophobicContact CG1-CG 4.34Å; F89-P106 HydrophobicContact CE1-CB 4.48Å; F89-P106 HydrophobicContact CE1-CG 4.33Å; I94-P106 HydrophobicContact CD1-CG 4.01Å; S97-P106 WeakPolarHBondContact OG-CG 3.44Å; K104-P106 WeakPolarHBondContact O-CD 3.41Å
107	V	94.8	Very high	94.7	Very high	65 Å²	65	72.1 Å²	72.1	39%	0.394	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-44.4	-173.9	-179.1	0	0	0	0	112.2	P71 H87 F89 C105	P71-V107 HydrophobicContact CB-CG2 4.05Å; P71-V107 HydrophobicContact CG-CG2 4.03Å; H87-V107 VanDerWaalsContact NE2-CG1 3.29Å; H87-V107 WeakPolarHBondContact NE2-CG1 3.38Å; F89-V107 HydrophobicContact CE1-CG2 3.88Å; F89-V107 HydrophobicContact CZ-CG2 3.66Å; C105-V107 PolarHBondContact O-N 3.49Å; C105-V107 VanDerWaalsContact O-N 3.13Å
108	D	96.3	Very high	94.8	Very high	54 Å²	54	77.1 Å²	77.1	29%	0.289	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-4.5	-175.6	56.4	15.5	0	0	0	114	C85 H87 C105 E110	C85-D108 WeakPolarHBondContact CB-OD2 3.49Å; C85-D108 PolarHBondContact SG-OD2 3.08Å; H87-D108 IonicContact CE1-OD2 3.29Å; H87-D108 PolarHBondContact CE1-OD2 2.97Å; H87-D108 IonicContact ND1-OD2 2.86Å; H87-D108 PolarHBondContact ND1-OD2 3.29Å; H87-D108 VanDerWaalsContact ND1-OD2 3.11Å; C105-D108 WeakPolarHBondContact CB-OD1 3.3Å; C105-D108 PolarHBondContact SG-OD1 2.8Å; D108-E110 HydrophobicContact CB-CG 4.4Å; D108-E110 PolarHBondContact O-N 3.33Å; D108-E110 WeakPolarHBondContact OD1-CB 3.43Å; D108-E110 PolarHBondContact OD1-N 3.26Å; D108-E110 VanDerWaalsContact OD1-N 3.11Å
109	N	94.1	Very high	94.9	Very high	105 Å²	105	81.2 Å²	81.2	56%	0.561	42%	0.424	S	S	*	.			trans	63.6	14.2	-175.5	-59.9	-75.1	0	0	0	115.6	C105	C105-N109 VanDerWaalsContact O-CA 3.23Å; C105-N109 WeakPolarHBondContact O-CA 3.42Å; C105-N109 PolarHBondContact O-N 2.96Å
110	E	95	Very high	95.1	Very high	122 Å²	122	73.9 Å²	73.9	57%	0.57	40%	0.397	S	S	*	.			trans	-65.6	148.7	173.3	-70.9	-62.8	150.7	0	0	111.5	K104 C105 D108 L112	K104-E110 CarbonylContact C-O 3.57Å; K104-E110 WeakPolarHBondContact CA-O 3.44Å; C105-E110 PolarHBondContact N-O 2.85Å; D108-E110 HydrophobicContact CB-CG 4.4Å; D108-E110 PolarHBondContact O-N 3.33Å; D108-E110 WeakPolarHBondContact OD1-CB 3.43Å; D108-E110 PolarHBondContact OD1-N 3.26Å; D108-E110 VanDerWaalsContact OD1-N 3.11Å; E110-L112 PolarHBondContact O-N 3.32Å
111	I	95.3	Very high	95.2	Very high	137 Å²	137	73.2 Å²	73.2	70%	0.703	39%	0.394	S	S	*	.	B	Isolated β-bridge	trans	-62	124.1	-179.9	-61.2	173.8	0	0	0	109.3	H103	H103-I111 WeakPolarHBondContact O-CA 3.42Å
112	L	94.8	Very high	95.4	Very high	3 Å²	3	76.4 Å²	76.4	2%	0.016	40%	0.396	C	S	.	.			trans	-135.9	120.7	-177.1	-177.3	68	0	0	0	110.5	T83 I94 I98 H103 C105 E110 Q116 L117	T83-L112 HydrophobicContact CG2-CD1 3.84Å; T83-L112 HydrophobicContact CG2-CD2 3.51Å; T83-L112 HydrophobicContact CG2-CG 4.34Å; I94-L112 HydrophobicContact CD1-CD2 3.91Å; I94-L112 HydrophobicContact CG1-CD2 4.04Å; I98-L112 HydrophobicContact CD1-CD2 4.01Å; I98-L112 HydrophobicContact CD1-CG 4.04Å; I98-L112 HydrophobicContact CG1-CD2 4.48Å; H103-L112 CarbonylContact C-O 3.58Å; H103-L112 VanDerWaalsContact CA-O 3.27Å; H103-L112 WeakPolarHBondContact CA-O 3.48Å; H103-L112 WeakPolarHBondContact CB-O 3.26Å; H103-L112 PolarHBondContact O-N 3.01Å; C105-L112 HydrophobicContact CB-CB 4.38Å; C105-L112 HydrophobicContact CB-CD2 4.16Å; E110-L112 PolarHBondContact O-N 3.32Å; L112-Q116 HydrophobicContact CD1-CB 4.34Å; L112-L117 HydrophobicContact CD1-CD2 4.19Å; L112-L117 HydrophobicContact CD2-CD2 4.15Å; L112-L117 HydrophobicContact CG-CD2 4.38Å
113	L	94.5	Very high	95.6	Very high	63 Å²	63	75 Å²	75	33%	0.33	38%	0.381	S	S	.	.			trans	-103.3	151.4	175.5	-59.4	172.8	0	0	0	110.6	H103 N115 Q116	H103-L113 HydrophobicContact CB-CD2 4.03Å; H103-L113 WeakPolarHBondContact ND1-CD2 3.44Å; L113-N115 WeakPolarHBondContact CB-OD1 3.43Å; L113-N115 PolarHBondContact O-N 2.92Å; L113-Q116 HydrophobicContact CB-CG 4.2Å; L113-Q116 WeakPolarHBondContact O-CB 3.49Å; L113-Q116 PolarHBondContact O-N 3.22Å
114	E	94	Very high	95.7	Very high	76 Å²	76	73.9 Å²	73.9	36%	0.355	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-58.5	-32.8	-178.7	-173	169.9	169.2	0	0	112.6	I95 R99 Q116 L117	I95-E114 HydrophobicContact CG1-CG 4.21Å; R99-E114 IonicContact CZ-OE1 3.35Å; R99-E114 IonicContact CZ-OE2 3.77Å; R99-E114 IonicContact NE-OE2 2.75Å; R99-E114 PolarHBondContact NE-OE2 2.98Å; R99-E114 IonicContact NH2-OE1 3.11Å; R99-E114 PolarHBondContact NH2-OE1 2.81Å; R99-E114 IonicContact NH2-OE2 3.95Å; R99-E114 PolarHBondContact NH2-OE2 3.4Å; E114-Q116 PolarHBondContact O-N 3.37Å; E114-L117 HydrophobicContact CG-CD1 4.44Å; E114-L117 WeakPolarHBondContact O-CG 3.39Å; E114-L117 PolarHBondContact O-N 3.01Å
115	N	94.8	Very high	95.8	Very high	133 Å²	133	77.4 Å²	77.4	71%	0.711	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-75.3	-5.4	177.8	69.2	-23.6	0	0	0	114.6	L113	L113-N115 WeakPolarHBondContact CB-OD1 3.43Å; L113-N115 PolarHBondContact O-N 2.92Å
116	Q	95	Very high	95.9	Very high	66 Å²	66	80.8 Å²	80.8	31%	0.308	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-97.5	3.7	177.3	-62.8	175.1	-49.6	0	0	112.7	P84 L112 L113 E114 F118	P84-Q116 HydrophobicContact CG-CB 3.9Å; L112-Q116 HydrophobicContact CD1-CB 4.34Å; L113-Q116 HydrophobicContact CB-CG 4.2Å; L113-Q116 WeakPolarHBondContact O-CB 3.49Å; L113-Q116 PolarHBondContact O-N 3.22Å; E114-Q116 PolarHBondContact O-N 3.37Å; Q116-F118 WeakPolarHBondContact O-CD2 3.05Å; Q116-F118 WeakPolarHBondContact O-CE2 3.35Å
117	L	96.3	Very high	96	Very high	27 Å²	27	78.3 Å²	78.3	14%	0.141	39%	0.385	C	S	.	.			trans	-82.7	122.9	179.2	-59.2	176.4	0	0	0	110.3	V81 T83 I94 I95 I98 L112 E114	V81-L117 HydrophobicContact CB-CB 4.48Å; V81-L117 HydrophobicContact CG2-CD2 4.47Å; T83-L117 HydrophobicContact CG2-CD2 4.05Å; I94-L117 HydrophobicContact CG1-CD2 4.06Å; I94-L117 HydrophobicContact CG2-CD1 3.69Å; I94-L117 HydrophobicContact CG2-CD2 4.13Å; I95-L117 HydrophobicContact CG1-CD1 4.03Å; I98-L117 HydrophobicContact CD1-CD1 4.21Å; I98-L117 HydrophobicContact CD1-CD2 4.47Å; L112-L117 HydrophobicContact CD1-CD2 4.19Å; L112-L117 HydrophobicContact CD2-CD2 4.15Å; L112-L117 HydrophobicContact CG-CD2 4.38Å; E114-L117 HydrophobicContact CG-CD1 4.44Å; E114-L117 WeakPolarHBondContact O-CG 3.39Å; E114-L117 PolarHBondContact O-N 3.01Å
118	F	97	Very high	96.1	Very high	129 Å²	129	76.9 Å²	76.9	57%	0.566	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.2	128.7	178.4	-60.5	-82.8	0	0	0	110.5	V81 Q82 P84 Q116 D120	V81-F118 CarbonylContact C-O 3.56Å; V81-F118 VanDerWaalsContact CA-O 3.26Å; V81-F118 WeakPolarHBondContact CA-O 3.21Å; Q82-F118 PolarHBondContact N-O 3.37Å; Q82-F118 PolarHBondContact O-N 3.23Å; P84-F118 HydrophobicContact CG-CE2 4.47Å; Q116-F118 WeakPolarHBondContact O-CD2 3.05Å; Q116-F118 WeakPolarHBondContact O-CE2 3.35Å; F118-D120 PolarHBondContact O-N 2.82Å
119	P	97.6	Very high	96.2	Very high	90 Å²	90	76.3 Å²	76.3	58%	0.584	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.5	121.7	172.6	-24.3	34.1	0	0	0	111.6	N121	P119-N121 PolarHBondContact O-N 3.44Å; P119-N121 VanDerWaalsContact O-N 3.16Å
120	D	97.6	Very high	96.4	Very high	13 Å²	13	73.3 Å²	73.3	7%	0.07	36%	0.359	C	S	.	.			trans	-88.2	82.3	175.3	-167.8	-25.2	0	0	0	109.4	A80 Q82 R88 F118 F122 A123 K124	A80-D120 HydrophobicContact CB-CB 4.33Å; A80-D120 PolarHBondContact O-N 3.37Å; Q82-D120 HydrophobicContact CB-CB 4.26Å; R88-D120 IonicContact CZ-OD2 3.07Å; R88-D120 IonicContact NE-OD2 2.73Å; R88-D120 PolarHBondContact NE-OD2 3.05Å; R88-D120 IonicContact NH2-OD2 3.11Å; R88-D120 PolarHBondContact NH2-OD2 3.21Å; R88-D120 VanDerWaalsContact NH2-OD2 3.11Å; F118-D120 PolarHBondContact O-N 2.82Å; D120-F122 PolarHBondContact O-N 3.46Å; D120-F122 WeakPolarHBondContact OD1-CB 3.43Å; D120-F122 PolarHBondContact OD1-N 3.01Å; D120-F122 VanDerWaalsContact OD1-N 3.16Å; D120-A123 HydrophobicContact CB-CB 4.07Å; D120-A123 VanDerWaalsContact CG-CB 3.45Å; D120-A123 PolarHBondContact O-N 3.49Å; D120-A123 PolarHBondContact OD1-N 3.22Å; D120-K124 WeakPolarHBondContact O-CB 3.43Å; D120-K124 PolarHBondContact O-N 3.49Å
121	N	96.1	Very high	96.6	Very high	105 Å²	105	71 Å²	71	56%	0.561	35%	0.349	S	S	*	.	H	α-helix	trans	-63.4	-24.6	179.3	-70.9	-42.3	0	0	0	113	P119 R125	P119-N121 PolarHBondContact O-N 3.44Å; P119-N121 VanDerWaalsContact O-N 3.16Å; N121-R125 WeakPolarHBondContact O-CB 3.46Å; N121-R125 PolarHBondContact O-N 2.91Å; N121-R125 VanDerWaalsContact O-N 3.14Å
122	F	96.6	Very high	96.7	Very high	130 Å²	130	64.4 Å²	64.4	57%	0.57	32%	0.316	S	S	*	.	H	α-helix	trans	-71.9	-55.4	176.9	179.5	-93.7	0	0	0	109.9	D120 K124 R125 E126	D120-F122 PolarHBondContact O-N 3.46Å; D120-F122 WeakPolarHBondContact OD1-CB 3.43Å; D120-F122 PolarHBondContact OD1-N 3.01Å; D120-F122 VanDerWaalsContact OD1-N 3.16Å; F122-K124 VanDerWaalsContact C-N 3.29Å; F122-K124 PolarHBondContact O-N 3.4Å; F122-R125 PolarHBondContact O-N 2.87Å; F122-R125 VanDerWaalsContact O-N 3.09Å; F122-E126 HydrophobicContact CD1-CG 4.29Å; F122-E126 HydrophobicContact CE1-CG 3.9Å; F122-E126 HydrophobicContact CZ-CG 4.04Å; F122-E126 WeakPolarHBondContact O-CG 3.27Å; F122-E126 PolarHBondContact O-N 3.43Å
123	A	96.2	Very high	96.8	Very high	2 Å²	2	67.2 Å²	67.2	2%	0.017	33%	0.327	C	S	.	.	H	α-helix	trans	-58.6	-41.5	176.2	0	0	0	0	0	111.5	A80 D120 R125 E126 I127	A80-A123 HydrophobicContact CB-CB 4.13Å; D120-A123 HydrophobicContact CB-CB 4.07Å; D120-A123 VanDerWaalsContact CG-CB 3.45Å; D120-A123 PolarHBondContact O-N 3.49Å; D120-A123 PolarHBondContact OD1-N 3.22Å; A123-R125 VanDerWaalsContact C-N 3.33Å; A123-R125 PolarHBondContact O-N 3.47Å; A123-E126 PolarHBondContact O-N 3.45Å; A123-I127 WeakPolarHBondContact O-CB 3.45Å; A123-I127 WeakPolarHBondContact O-CG1 3.49Å; A123-I127 PolarHBondContact O-N 3.13Å
124	K	96.9	Very high	96.9	Very high	93 Å²	93	64.7 Å²	64.7	40%	0.404	32%	0.315	S	S	.	.	H	α-helix	trans	-55	-47.1	174.1	178.7	178.4	177.7	176.1	0	112	D120 F122 L128	D120-K124 WeakPolarHBondContact O-CB 3.43Å; D120-K124 PolarHBondContact O-N 3.49Å; F122-K124 VanDerWaalsContact C-N 3.29Å; F122-K124 PolarHBondContact O-N 3.4Å; K124-L128 HydrophobicContact CG-CD1 3.92Å; K124-L128 HydrophobicContact CG-CG 4.5Å; K124-L128 VanDerWaalsContact O-CB 3.31Å; K124-L128 WeakPolarHBondContact O-CB 3.41Å; K124-L128 VanDerWaalsContact O-CG 3.23Å; K124-L128 WeakPolarHBondContact O-CG 3.35Å; K124-L128 PolarHBondContact O-N 3.07Å
125	R	97.5	Very high	97	Very high	160 Å²	160	64.4 Å²	64.4	60%	0.604	32%	0.32	S	S	*	.	H	α-helix	trans	-65.1	-45.2	-179.3	-174.7	-175.9	-60.8	163.4	2.1	111.6	N121 F122 A123 S129	N121-R125 WeakPolarHBondContact O-CB 3.46Å; N121-R125 PolarHBondContact O-N 2.91Å; N121-R125 VanDerWaalsContact O-N 3.14Å; F122-R125 PolarHBondContact O-N 2.87Å; F122-R125 VanDerWaalsContact O-N 3.09Å; A123-R125 VanDerWaalsContact C-N 3.33Å; A123-R125 PolarHBondContact O-N 3.47Å; R125-S129 PolarHBondContact O-N 2.98Å; R125-S129 PolarHBondContact O-OG 3.39Å
126	E	97.8	Very high	97.1	Very high	71 Å²	71	59.6 Å²	59.6	33%	0.332	29%	0.294	S	S	.	.	H	α-helix	trans	-60.1	-51	178.1	-68.5	-70.1	113.4	0	0	110.9	Y68 F122 A123 L128 S129 L130	Y68-E126 HydrophobicContact CE1-CB 3.79Å; Y68-E126 PolarHBondContact OH-OE2 3.33Å; F122-E126 HydrophobicContact CD1-CG 4.29Å; F122-E126 HydrophobicContact CE1-CG 3.9Å; F122-E126 HydrophobicContact CZ-CG 4.04Å; F122-E126 WeakPolarHBondContact O-CG 3.27Å; F122-E126 PolarHBondContact O-N 3.43Å; A123-E126 PolarHBondContact O-N 3.45Å; E126-L128 PolarHBondContact O-N 3.05Å; E126-S129 WeakPolarHBondContact O-CA 3.48Å; E126-S129 WeakPolarHBondContact O-CB 3.45Å; E126-S129 PolarHBondContact O-N 3.44Å; E126-L130 PolarHBondContact O-N 2.88Å
127	I	97.9	Very high	96.9	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-60	-44.5	-179.5	-68.7	169.7	0	0	0	111.5	Y56 Y68 A76 L77 A123 S129 L130 L145	Y56-I127 HydrophobicContact CD2-CG2 4.39Å; Y56-I127 HydrophobicContact CE2-CG2 4.37Å; Y68-I127 HydrophobicContact CD1-CD1 3.96Å; Y68-I127 HydrophobicContact CD1-CG1 3.55Å; Y68-I127 HydrophobicContact CE1-CG1 4.23Å; Y68-I127 HydrophobicContact CG-CD1 4.34Å; Y68-I127 HydrophobicContact CG-CG1 3.83Å; A76-I127 HydrophobicContact CB-CG2 4.43Å; L77-I127 HydrophobicContact CB-CD1 3.63Å; L77-I127 HydrophobicContact CD1-CD1 4.06Å; L77-I127 HydrophobicContact CG-CD1 4.34Å; A123-I127 WeakPolarHBondContact O-CB 3.45Å; A123-I127 WeakPolarHBondContact O-CG1 3.49Å; A123-I127 PolarHBondContact O-N 3.13Å; I127-S129 PolarHBondContact O-N 3.18Å; I127-L130 WeakPolarHBondContact O-CB 3.43Å; I127-L130 PolarHBondContact O-N 3.5Å; I127-L130 VanDerWaalsContact O-N 3.1Å; I127-L145 HydrophobicContact CG2-CD2 3.91Å
128	L	97.8	Very high	96.8	Very high	34 Å²	34	66 Å²	66	18%	0.178	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-11.8	176.9	-73.3	179.2	0	0	0	113.9	K124 E126 L145 R146	K124-L128 HydrophobicContact CG-CD1 3.92Å; K124-L128 HydrophobicContact CG-CG 4.5Å; K124-L128 VanDerWaalsContact O-CB 3.31Å; K124-L128 WeakPolarHBondContact O-CB 3.41Å; K124-L128 VanDerWaalsContact O-CG 3.23Å; K124-L128 WeakPolarHBondContact O-CG 3.35Å; K124-L128 PolarHBondContact O-N 3.07Å; E126-L128 PolarHBondContact O-N 3.05Å; L128-L145 HydrophobicContact CD2-CD2 4.33Å; L128-L145 HydrophobicContact CD2-CG 4.23Å; L128-R146 HydrophobicContact CB-CB 4.22Å; L128-R146 WeakPolarHBondContact O-CB 3.48Å; L128-R146 PolarHBondContact O-N 2.9Å; L128-R146 VanDerWaalsContact O-N 3.08Å; L128-R146 PolarHBondContact O-NE 3.22Å
129	S	98	Very high	96.8	Very high	43 Å²	43	60.4 Å²	60.4	30%	0.301	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-5.6	174.6	-45.9	0	0	0	0	112.8	R125 E126 I127 R146	R125-S129 PolarHBondContact O-N 2.98Å; R125-S129 PolarHBondContact O-OG 3.39Å; E126-S129 WeakPolarHBondContact O-CA 3.48Å; E126-S129 WeakPolarHBondContact O-CB 3.45Å; E126-S129 PolarHBondContact O-N 3.44Å; I127-S129 PolarHBondContact O-N 3.18Å; S129-R146 PolarHBondContact OG-NH2 2.96Å
130	L	98.1	Very high	96.7	Very high	41 Å²	41	63.7 Å²	63.7	22%	0.215	33%	0.326	C	S	.	.	S	Bend	trans	-71.6	144.5	177.5	-61.8	176.8	0	0	0	110.5	F60 L64 Y68 E126 I127 E144 L145	F60-L130 HydrophobicContact CD1-CB 3.83Å; F60-L130 HydrophobicContact CD1-CD1 4.03Å; F60-L130 HydrophobicContact CE1-CB 3.91Å; F60-L130 HydrophobicContact CE1-CD1 3.93Å; L64-L130 HydrophobicContact CD1-CD1 3.77Å; Y68-L130 HydrophobicContact CD2-CD1 3.95Å; Y68-L130 HydrophobicContact CE2-CD1 4.33Å; Y68-L130 HydrophobicContact CE2-CD2 4.38Å; E126-L130 PolarHBondContact O-N 2.88Å; I127-L130 WeakPolarHBondContact O-CB 3.43Å; I127-L130 PolarHBondContact O-N 3.5Å; I127-L130 VanDerWaalsContact O-N 3.1Å; L130-E144 CarbonylContact O-C 3.22Å; L130-E144 WeakPolarHBondContact O-CA 3.28Å; L130-L145 PolarHBondContact O-N 3.47Å
131	M	98.2	Very high	96.6	Very high	73 Å²	73	68.7 Å²	68.7	36%	0.36	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	132.5	178.7	-68.8	-63.5	-65.7	0	0	110.8	D61 K142 M143 E144	D61-M131 PolarHBondContact N-O 3.28Å; D61-M131 WeakPolarHBondContact O-CB 3.25Å; M131-K142 HydrophobicContact CE-CB 3.89Å; M131-M143 CarbonylContact C-O 3.55Å; M131-M143 WeakPolarHBondContact CA-O 3.45Å; M131-E144 HydrophobicContact SD-CG 4.09Å
132	V	98.2	Very high	96.7	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	151.8	179.8	-62.4	0	0	0	0	110.8	V58 E59 F60 K142 M143 L145 L148	V58-V132 HydrophobicContact CG2-CB 4.25Å; V58-V132 HydrophobicContact CG2-CG1 3.72Å; E59-V132 CarbonylContact O-C 3.27Å; E59-V132 WeakPolarHBondContact O-CA 3.34Å; F60-V132 HydrophobicContact CD1-CG1 3.47Å; F60-V132 VanDerWaalsContact CD1-CG1 3.47Å; F60-V132 HydrophobicContact CE1-CG1 3.52Å; F60-V132 HydrophobicContact CG-CG1 4Å; F60-V132 HydrophobicContact CZ-CG1 4.09Å; V132-K142 VanDerWaalsContact O-CA 3.28Å; V132-K142 WeakPolarHBondContact O-CA 3.26Å; V132-M143 HydrophobicContact CG2-CG 4.47Å; V132-M143 PolarHBondContact N-O 3.24Å; V132-M143 PolarHBondContact O-N 2.93Å; V132-M143 VanDerWaalsContact O-N 3.07Å; V132-L145 HydrophobicContact CG1-CB 4.16Å; V132-L145 HydrophobicContact CG1-CD1 4.25Å; V132-L145 HydrophobicContact CG2-CB 4.34Å; V132-L145 HydrophobicContact CG2-CD1 4.26Å; V132-L148 HydrophobicContact CG2-CB 4.38Å; V132-L148 HydrophobicContact CG2-CD1 4.41Å; V132-L148 HydrophobicContact CG2-CD2 4.25Å
133	K	97.4	Very high	96.8	Very high	61 Å²	61	63.9 Å²	63.9	27%	0.265	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	144.9	170.7	-64.7	176	-171.7	168.3	0	109.8	E59 D61 K142	E59-K133 HydrophobicContact CB-CB 4.48Å; E59-K133 HydrophobicContact CG-CD 4.33Å; E59-K133 PolarHBondContact O-N 3.2Å; E59-K133 IonicContact OE1-NZ 2.67Å; E59-K133 PolarHBondContact OE1-NZ 3.18Å; E59-K133 IonicContact OE2-NZ 3.56Å; D61-K133 HydrophobicContact CB-CG 4.48Å; D61-K133 WeakPolarHBondContact OD2-CE 3.39Å; D61-K133 IonicContact OD2-NZ 2.89Å; K133-K142 HydrophobicContact CG-CG 4.02Å
134	C	97	Very high	96.9	Very high	10 Å²	10	66.8 Å²	66.8	7%	0.068	34%	0.337	C	S	.	.			trans	-60.1	132.2	170.3	-174.8	0	0	0	0	110.2	N136 C139 H141 H151	C134-N136 VanDerWaalsContact C-N 3.26Å; C134-N136 PolarHBondContact O-N 3.09Å; C134-C139 HydrophobicContact CB-CB 3.75Å; C134-C139 VanDerWaalsContact CB-SG 3.51Å; C134-C139 VanDerWaalsContact SG-SG 3.68Å; C134-H141 PolarHBondContact N-O 3.12Å; C134-H151 VanDerWaalsContact SG-CD2 3.58Å; C134-H151 PolarHBondContact SG-NE2 2.85Å
135	P	95.8	Very high	96.9	Very high	70 Å²	70	62.7 Å²	62.7	46%	0.455	32%	0.319	S	S	.	.			trans	-77.1	-10.7	178.6	31.1	-35.9	0	0	0	113.4	E137	P135-E137 PolarHBondContact O-N 3.08Å
136	N	95.4	Very high	96.9	Very high	33 Å²	33	60.5 Å²	60.5	18%	0.176	31%	0.311	C	S	.	.	S	Bend	trans	-71.9	123.9	178.4	-66.3	-38.1	0	0	0	110.3	C134 G138 C139 C155 F157	C134-N136 VanDerWaalsContact C-N 3.26Å; C134-N136 PolarHBondContact O-N 3.09Å; N136-G138 PolarHBondContact O-N 2.87Å; N136-C139 HydrophobicContact CB-CB 4.25Å; N136-C139 WeakPolarHBondContact O-CB 3.48Å; N136-C139 PolarHBondContact O-N 2.98Å; N136-C155 WeakPolarHBondContact ND2-CB 3.34Å; N136-C155 PolarHBondContact ND2-SG 2.82Å; N136-F157 HydrophobicContact CB-CB 3.95Å
137	E	92.8	Very high	96.9	Very high	174 Å²	174	61.7 Å²	61.7	81%	0.813	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	127.6	179.1	-67.4	-171.1	169	0	0	111.8	P135 C139 Q170	P135-E137 PolarHBondContact O-N 3.08Å; E137-C139 VanDerWaalsContact C-N 3.35Å; E137-Q170 PolarHBondContact O-NE2 3.08Å
138	G	93.4	Very high	96.9	Very high	53 Å²	53	62.2 Å²	62.2	55%	0.546	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.5	-14.1	-178.2	0	0	0	0	0	115.1	N136 L140	N136-G138 PolarHBondContact O-N 2.87Å; G138-L140 PolarHBondContact O-N 2.95Å
139	C	96.4	Very high	96.8	Very high	12 Å²	12	68.2 Å²	68.2	8%	0.081	35%	0.346	C	S	.	.			trans	-80.2	112.7	174.4	-170.9	0	0	0	0	111	C134 N136 E137 H141 H151 F157	C134-C139 HydrophobicContact CB-CB 3.75Å; C134-C139 VanDerWaalsContact CB-SG 3.51Å; C134-C139 VanDerWaalsContact SG-SG 3.68Å; N136-C139 HydrophobicContact CB-CB 4.25Å; N136-C139 WeakPolarHBondContact O-CB 3.48Å; N136-C139 PolarHBondContact O-N 2.98Å; E137-C139 VanDerWaalsContact C-N 3.35Å; C139-H141 VanDerWaalsContact C-N 3.31Å; C139-H141 PolarHBondContact O-N 3.17Å; C139-H151 PolarHBondContact SG-NE2 2.83Å; C139-H151 VanDerWaalsContact SG-NE2 3.41Å; C139-F157 HydrophobicContact CB-CB 4.02Å; C139-F157 HydrophobicContact CB-CD2 3.73Å; C139-F157 HydrophobicContact CB-CE2 4.47Å; C139-F157 HydrophobicContact CB-CG 3.99Å
140	L	95.7	Very high	96.7	Very high	159 Å²	159	71.1 Å²	71.1	83%	0.832	36%	0.358	S	S	*	.			trans	-88.3	4.8	179.6	-57.8	-179.2	0	0	0	113.8	G138	G138-L140 PolarHBondContact O-N 2.95Å
141	H	96.8	Very high	96.7	Very high	117 Å²	117	70.6 Å²	70.6	54%	0.542	36%	0.355	S	S	.	.			trans	-70.6	136.9	-175.5	-76	-152	0	0	0	111.4	C134 C139 M143 H151	C134-H141 PolarHBondContact N-O 3.12Å; C139-H141 VanDerWaalsContact C-N 3.31Å; C139-H141 PolarHBondContact O-N 3.17Å; H141-M143 HydrophobicContact CB-CE 3.86Å; H141-H151 AromaticContact ND1-CE1 3.9Å
142	K	97.2	Very high	96.5	Very high	109 Å²	109	70.8 Å²	70.8	47%	0.474	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	140.6	169.9	-63.9	178.1	180	178.9	0	109.1	D61 M131 V132 K133	D61-K142 WeakPolarHBondContact OD2-CE 3.48Å; D61-K142 IonicContact OD2-NZ 3.32Å; D61-K142 PolarHBondContact OD2-NZ 2.86Å; M131-K142 HydrophobicContact CE-CB 3.89Å; V132-K142 VanDerWaalsContact O-CA 3.28Å; V132-K142 WeakPolarHBondContact O-CA 3.26Å; K133-K142 HydrophobicContact CG-CG 4.02Å
143	M	97.6	Very high	96.4	Very high	25 Å²	25	73.9 Å²	73.9	12%	0.123	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	167	-179.1	62.2	-159.2	76	0	0	111.2	M131 V132 H141 H147 L148 H151	M131-M143 CarbonylContact C-O 3.55Å; M131-M143 WeakPolarHBondContact CA-O 3.45Å; V132-M143 HydrophobicContact CG2-CG 4.47Å; V132-M143 PolarHBondContact N-O 3.24Å; V132-M143 PolarHBondContact O-N 2.93Å; V132-M143 VanDerWaalsContact O-N 3.07Å; H141-M143 HydrophobicContact CB-CE 3.86Å; M143-H147 HydrophobicContact CB-CB 4.49Å; M143-H147 HydrophobicContact CG-CB 4.47Å; M143-H147 HydrophobicContact SD-CB 4.4Å; M143-L148 HydrophobicContact SD-CD1 4.4Å; M143-H151 HydrophobicContact CE-CB 3.65Å; M143-H151 WeakPolarHBondContact CE-CD2 3.46Å; M143-H151 HydrophobicContact SD-CB 3.26Å; M143-H151 WeakPolarHBondContact SD-CB 3.5Å
144	E	98.3	Very high	96.2	Very high	63 Å²	63	76.8 Å²	76.8	29%	0.294	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	140.4	167.4	-61.2	-175.3	-174.4	0	0	110	L130 M131 R146 H147	L130-E144 CarbonylContact O-C 3.22Å; L130-E144 WeakPolarHBondContact O-CA 3.28Å; M131-E144 HydrophobicContact SD-CG 4.09Å; E144-R146 HydrophobicContact CB-CG 3.94Å; E144-R146 PolarHBondContact O-N 2.98Å; E144-R146 WeakPolarHBondContact OE2-CD 3.49Å; E144-R146 IonicContact OE2-CZ 2.91Å; E144-R146 IonicContact OE2-NE 2.78Å; E144-R146 PolarHBondContact OE2-NE 2.94Å; E144-R146 IonicContact OE2-NH1 3.36Å; E144-R146 PolarHBondContact OE2-NH1 3.34Å; E144-R146 IonicContact OE2-NH2 3.82Å; E144-H147 PolarHBondContact O-N 3.32Å
145	L	98	Very high	96.2	Very high	8 Å²	8	76.5 Å²	76.5	4%	0.042	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-52.2	-33.6	-179.4	177.2	60.2	0	0	0	113.4	Y56 V58 F60 I127 L128 L130 V132 H147 L148	Y56-L145 HydrophobicContact CD1-CD1 3.81Å; Y56-L145 HydrophobicContact CD1-CD2 3.91Å; Y56-L145 HydrophobicContact CD1-CG 4.23Å; Y56-L145 HydrophobicContact CD2-CD2 3.78Å; Y56-L145 HydrophobicContact CE1-CD1 4.18Å; Y56-L145 HydrophobicContact CE1-CD2 4.08Å; Y56-L145 HydrophobicContact CE1-CG 4.26Å; Y56-L145 HydrophobicContact CE2-CD2 3.95Å; Y56-L145 HydrophobicContact CG-CD1 4.29Å; Y56-L145 HydrophobicContact CG-CD2 3.76Å; V58-L145 HydrophobicContact CG2-CD1 4.21Å; F60-L145 HydrophobicContact CE1-CD2 4.2Å; F60-L145 HydrophobicContact CZ-CD2 4.16Å; I127-L145 HydrophobicContact CG2-CD2 3.91Å; L128-L145 HydrophobicContact CD2-CD2 4.33Å; L128-L145 HydrophobicContact CD2-CG 4.23Å; L130-L145 PolarHBondContact O-N 3.47Å; V132-L145 HydrophobicContact CG1-CB 4.16Å; V132-L145 HydrophobicContact CG1-CD1 4.25Å; V132-L145 HydrophobicContact CG2-CB 4.34Å; V132-L145 HydrophobicContact CG2-CD1 4.26Å; L145-H147 PolarHBondContact O-N 2.85Å; L145-H147 VanDerWaalsContact O-N 3.16Å; L145-L148 HydrophobicContact CD1-CB 4.34Å; L145-L148 HydrophobicContact CD1-CD2 3.94Å; L145-L148 WeakPolarHBondContact O-CB 3.46Å; L145-L148 PolarHBondContact O-N 2.95Å; L145-L148 VanDerWaalsContact O-N 3.13Å
146	R	97	Very high	96.2	Very high	114 Å²	114	77.7 Å²	77.7	43%	0.43	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-59.1	-23.6	175.2	68.5	-177.3	60.5	170.1	-1.4	114.8	L128 S129 E144	L128-R146 HydrophobicContact CB-CB 4.22Å; L128-R146 WeakPolarHBondContact O-CB 3.48Å; L128-R146 PolarHBondContact O-N 2.9Å; L128-R146 VanDerWaalsContact O-N 3.08Å; L128-R146 PolarHBondContact O-NE 3.22Å; S129-R146 PolarHBondContact OG-NH2 2.96Å; E144-R146 HydrophobicContact CB-CG 3.94Å; E144-R146 PolarHBondContact O-N 2.98Å; E144-R146 WeakPolarHBondContact OE2-CD 3.49Å; E144-R146 IonicContact OE2-CZ 2.91Å; E144-R146 IonicContact OE2-NE 2.78Å; E144-R146 PolarHBondContact OE2-NE 2.94Å; E144-R146 IonicContact OE2-NH1 3.36Å; E144-R146 PolarHBondContact OE2-NH1 3.34Å; E144-R146 IonicContact OE2-NH2 3.82Å
147	H	98	Very high	96.2	Very high	96 Å²	96	79.4 Å²	79.4	44%	0.444	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-99	-4.8	-178.3	-62.6	-53.8	0	0	0	112.4	M143 E144 L145 E149 D150 H151	M143-H147 HydrophobicContact CB-CB 4.49Å; M143-H147 HydrophobicContact CG-CB 4.47Å; M143-H147 HydrophobicContact SD-CB 4.4Å; E144-H147 PolarHBondContact O-N 3.32Å; L145-H147 PolarHBondContact O-N 2.85Å; L145-H147 VanDerWaalsContact O-N 3.16Å; H147-E149 PolarHBondContact O-N 3.14Å; H147-D150 PolarHBondContact O-N 3.1Å; H147-H151 WeakPolarHBondContact O-CB 3.4Å; H147-H151 PolarHBondContact O-N 2.87Å
148	L	97.2	Very high	96.3	Very high	11 Å²	11	71.9 Å²	71.9	6%	0.058	37%	0.366	C	S	.	.	H	α-helix	trans	-62.6	-43.6	-175.4	-179.6	63.9	0	0	0	112.6	V58 V132 M143 L145 H151 Q152	V58-L148 HydrophobicContact CG1-CD2 3.61Å; V132-L148 HydrophobicContact CG2-CB 4.38Å; V132-L148 HydrophobicContact CG2-CD1 4.41Å; V132-L148 HydrophobicContact CG2-CD2 4.25Å; M143-L148 HydrophobicContact SD-CD1 4.4Å; L145-L148 HydrophobicContact CD1-CB 4.34Å; L145-L148 HydrophobicContact CD1-CD2 3.94Å; L145-L148 WeakPolarHBondContact O-CB 3.46Å; L145-L148 PolarHBondContact O-N 2.95Å; L145-L148 VanDerWaalsContact O-N 3.13Å; L148-H151 PolarHBondContact O-N 2.98Å; L148-Q152 HydrophobicContact CD1-CG 4.16Å; L148-Q152 HydrophobicContact CG-CG 4.33Å; L148-Q152 WeakPolarHBondContact O-CB 3.32Å; L148-Q152 WeakPolarHBondContact O-CG 3.37Å; L148-Q152 PolarHBondContact O-N 2.81Å
149	E	95.4	Very high	96.4	Very high	160 Å²	160	75.1 Å²	75.1	75%	0.748	37%	0.37	S	S	*	.	H	α-helix	trans	-63	-45.6	-178.9	-174.6	175.2	-175	0	0	111.5	H147 H151 Q152 A153	H147-E149 PolarHBondContact O-N 3.14Å; E149-H151 VanDerWaalsContact C-N 3.35Å; E149-H151 PolarHBondContact O-N 3.43Å; E149-Q152 PolarHBondContact O-N 2.77Å; E149-A153 PolarHBondContact O-N 2.86Å; E149-A153 VanDerWaalsContact O-N 3.1Å
150	D	97.2	Very high	96.3	Very high	104 Å²	104	77 Å²	77	56%	0.556	38%	0.38	S	S	*	.	H	α-helix	trans	-62.8	-42.2	175.4	-178.8	46.4	0	0	0	111.6	H147 A153 H154	H147-D150 PolarHBondContact O-N 3.1Å; D150-A153 PolarHBondContact O-N 3.04Å; D150-H154 PolarHBondContact O-N 2.77Å; D150-H154 PolarHBondContact O-ND1 2.96Å; D150-H154 IonicContact OD1-CE1 2.68Å; D150-H154 PolarHBondContact OD1-CE1 3.11Å; D150-H154 IonicContact OD1-ND1 3.86Å; D150-H154 PolarHBondContact OD1-ND1 3.39Å
151	H	97.4	Very high	96.3	Very high	31 Å²	31	74.2 Å²	74.2	14%	0.144	37%	0.367	C	S	.	.	H	α-helix	trans	-62.2	-45.8	173.5	171.7	72.3	0	0	0	112.4	C134 C139 H141 M143 H147 L148 E149 A153 H154 C155	C134-H151 VanDerWaalsContact SG-CD2 3.58Å; C134-H151 PolarHBondContact SG-NE2 2.85Å; C139-H151 PolarHBondContact SG-NE2 2.83Å; C139-H151 VanDerWaalsContact SG-NE2 3.41Å; H141-H151 AromaticContact ND1-CE1 3.9Å; M143-H151 HydrophobicContact CE-CB 3.65Å; M143-H151 WeakPolarHBondContact CE-CD2 3.46Å; M143-H151 HydrophobicContact SD-CB 3.26Å; M143-H151 WeakPolarHBondContact SD-CB 3.5Å; H147-H151 WeakPolarHBondContact O-CB 3.4Å; H147-H151 PolarHBondContact O-N 2.87Å; L148-H151 PolarHBondContact O-N 2.98Å; E149-H151 VanDerWaalsContact C-N 3.35Å; E149-H151 PolarHBondContact O-N 3.43Å; H151-A153 VanDerWaalsContact C-N 3.3Å; H151-A153 PolarHBondContact O-N 2.89Å; H151-H154 CarbonylContact O-C 3.23Å; H151-H154 PolarHBondContact O-N 3.1Å; H151-C155 PolarHBondContact NE2-SG 3.3Å; H151-C155 WeakPolarHBondContact O-CA 3.4Å; H151-C155 VanDerWaalsContact O-CB 3.25Å; H151-C155 WeakPolarHBondContact O-CB 3.38Å; H151-C155 PolarHBondContact O-N 3.49Å
152	Q	95.4	Very high	96.3	Very high	77 Å²	77	68.6 Å²	68.6	36%	0.36	34%	0.341	S	S	.	.	H	α-helix	trans	-60.6	-39	-179.1	-78.3	-179	-52.5	0	0	112	L148 E149 H154 C155	L148-Q152 HydrophobicContact CD1-CG 4.16Å; L148-Q152 HydrophobicContact CG-CG 4.33Å; L148-Q152 WeakPolarHBondContact O-CB 3.32Å; L148-Q152 WeakPolarHBondContact O-CG 3.37Å; L148-Q152 PolarHBondContact O-N 2.81Å; E149-Q152 PolarHBondContact O-N 2.77Å; Q152-H154 PolarHBondContact O-N 3.48Å; Q152-C155 PolarHBondContact O-N 3.32Å
153	A	94.1	Very high	96.1	Very high	65 Å²	65	68 Å²	68	54%	0.537	35%	0.348	S	S	.	.	H	α-helix	trans	-60.1	-32.9	174.7	0	0	0	0	0	112.9	E149 D150 H151 K171	E149-A153 PolarHBondContact O-N 2.86Å; E149-A153 VanDerWaalsContact O-N 3.1Å; D150-A153 PolarHBondContact O-N 3.04Å; H151-A153 VanDerWaalsContact C-N 3.3Å; H151-A153 PolarHBondContact O-N 2.89Å; A153-K171 PolarHBondContact O-NZ 2.93Å; A153-K171 VanDerWaalsContact O-NZ 3.1Å
154	H	95	Very high	95.9	Very high	122 Å²	122	69.3 Å²	69.3	57%	0.565	35%	0.354	S	S	*	.	H	α-helix	trans	-106.8	2.8	-177.3	-58.7	96	0	0	0	113.9	D150 H151 Q152 E156	D150-H154 PolarHBondContact O-N 2.77Å; D150-H154 PolarHBondContact O-ND1 2.96Å; D150-H154 IonicContact OD1-CE1 2.68Å; D150-H154 PolarHBondContact OD1-CE1 3.11Å; D150-H154 IonicContact OD1-ND1 3.86Å; D150-H154 PolarHBondContact OD1-ND1 3.39Å; H151-H154 CarbonylContact O-C 3.23Å; H151-H154 PolarHBondContact O-N 3.1Å; Q152-H154 PolarHBondContact O-N 3.48Å; H154-E156 PolarHBondContact O-N 3.32Å
155	C	96.5	Very high	95.7	Very high	3 Å²	3	67.7 Å²	67.7	2%	0.02	35%	0.349	C	S	.	.			trans	-72.4	121	-173.2	-172.7	0	0	0	0	110.2	N136 H151 Q152 F157 A158	N136-C155 WeakPolarHBondContact ND2-CB 3.34Å; N136-C155 PolarHBondContact ND2-SG 2.82Å; H151-C155 PolarHBondContact NE2-SG 3.3Å; H151-C155 WeakPolarHBondContact O-CA 3.4Å; H151-C155 VanDerWaalsContact O-CB 3.25Å; H151-C155 WeakPolarHBondContact O-CB 3.38Å; H151-C155 PolarHBondContact O-N 3.49Å; Q152-C155 PolarHBondContact O-N 3.32Å; C155-F157 PolarHBondContact O-N 2.76Å; C155-A158 HydrophobicContact CB-CB 4.2Å; C155-A158 VanDerWaalsContact O-CB 3.28Å; C155-A158 WeakPolarHBondContact O-CB 3.22Å; C155-A158 PolarHBondContact O-N 3.27Å; C155-A158 VanDerWaalsContact O-N 3.08Å
156	E	94.6	Very high	95.6	Very high	96 Å²	96	73.7 Å²	73.7	45%	0.449	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.6	177.3	-71.7	-54.8	135.5	0	0	113	H154 K171 F172	H154-E156 PolarHBondContact O-N 3.32Å; E156-K171 WeakPolarHBondContact O-CB 3.34Å; E156-K171 PolarHBondContact O-N 3.3Å; E156-K171 VanDerWaalsContact O-N 3.13Å; E156-F172 HydrophobicContact CB-CB 4.15Å; E156-F172 VanDerWaalsContact O-CD1 3.27Å; E156-F172 WeakPolarHBondContact O-CD1 3.38Å; E156-F172 PolarHBondContact O-N 2.81Å; E156-F172 WeakPolarHBondContact OE2-CA 3.35Å; E156-F172 PolarHBondContact OE2-N 2.96Å
157	F	96.4	Very high	95.5	Very high	69 Å²	69	75.8 Å²	75.8	30%	0.303	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-5.3	177.2	-62.9	-89.3	0	0	0	113.8	N136 C139 C155 F172	N136-F157 HydrophobicContact CB-CB 3.95Å; C139-F157 HydrophobicContact CB-CB 4.02Å; C139-F157 HydrophobicContact CB-CD2 3.73Å; C139-F157 HydrophobicContact CB-CE2 4.47Å; C139-F157 HydrophobicContact CB-CG 3.99Å; C155-F157 PolarHBondContact O-N 2.76Å; F157-F172 HydrophobicContact CD1-CD1 4.44Å; F157-F172 AromaticContact CD1-CE1 3.96Å; F157-F172 HydrophobicContact CD1-CE1 3.96Å; F157-F172 HydrophobicContact CE1-CE1 4.07Å
158	A	95.6	Very high	95.4	Very high	16 Å²	16	74.9 Å²	74.9	13%	0.132	39%	0.387	C	S	.	.	S	Bend	trans	-63.9	140.6	176.3	0	0	0	0	0	110.7	C155 Q170 K171	C155-A158 HydrophobicContact CB-CB 4.2Å; C155-A158 VanDerWaalsContact O-CB 3.28Å; C155-A158 WeakPolarHBondContact O-CB 3.22Å; C155-A158 PolarHBondContact O-N 3.27Å; C155-A158 VanDerWaalsContact O-N 3.08Å; A158-Q170 CarbonylContact O-C 3.5Å; A158-Q170 WeakPolarHBondContact O-CA 3.27Å; A158-K171 PolarHBondContact O-N 3.29Å
159	L	95.3	Very high	95.3	Very high	120 Å²	120	76.5 Å²	76.5	63%	0.628	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	133	175.9	-65.3	178.4	0	0	0	110.8	F169 Q170	L159-F169 CarbonylContact C-O 3.47Å; L159-F169 WeakPolarHBondContact CA-O 3.34Å; L159-Q170 HydrophobicContact CD2-CG 3.83Å
160	V	94.7	Very high	95.3	Very high	51 Å²	51	71.6 Å²	71.6	31%	0.309	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	141.5	175.6	-63.1	0	0	0	0	109.8	P168 F169 K171 I174	V160-P168 WeakPolarHBondContact O-CA 3.45Å; V160-F169 WeakPolarHBondContact CG2-O 3.23Å; V160-F169 PolarHBondContact N-O 3.49Å; V160-F169 PolarHBondContact O-N 2.89Å; V160-K171 HydrophobicContact CG2-CB 4.45Å; V160-I174 HydrophobicContact CG2-CB 3.97Å; V160-I174 HydrophobicContact CG2-CD1 4.5Å; V160-I174 HydrophobicContact CG2-CG1 4.03Å; V160-I174 HydrophobicContact CG2-CG2 4.16Å
161	D	95.7	Very high	95.1	Very high	101 Å²	101	69.8 Å²	69.8	54%	0.54	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	137.1	178.2	-67.4	-30.6	0	0	0	111.4	P168	D161-P168 WeakPolarHBondContact OD1-CA 3.36Å; D161-P168 WeakPolarHBondContact OD1-CB 3.35Å
162	C	95.5	Very high	94.8	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	37%	0.371	C	S	.	.			trans	-67.2	124.6	174.8	174.5	0	0	0	0	110.8	Q164 C165 Q166 R167 F169 I174	C162-Q164 PolarHBondContact O-N 2.79Å; C162-C165 VanDerWaalsContact CB-SG 3.53Å; C162-C165 PolarHBondContact O-N 3.33Å; C162-C165 VanDerWaalsContact SG-SG 3.7Å; C162-Q166 WeakPolarHBondContact O-CA 3.4Å; C162-Q166 PolarHBondContact O-N 2.98Å; C162-Q166 PolarHBondContact O-OE1 3.41Å; C162-R167 PolarHBondContact N-O 3.13Å; C162-F169 HydrophobicContact CB-CD2 4.18Å; C162-F169 HydrophobicContact CB-CE2 4.09Å; C162-I174 HydrophobicContact CB-CD1 3.8Å
163	P	93.6	Very high	94.8	Very high	95 Å²	95	72.4 Å²	72.4	62%	0.617	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-13	-176.9	27	-36	0	0	0	114.3	I178	P163-I178 HydrophobicContact CG-CD1 4.21Å
164	Q	93.1	Very high	94.8	Very high	54 Å²	54	70 Å²	70	25%	0.252	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-38.1	-178	-67	166.1	-25.3	0	0	113	C162 R184 R185	C162-Q164 PolarHBondContact O-N 2.79Å; Q164-R184 HydrophobicContact CB-CB 3.9Å; Q164-R184 WeakPolarHBondContact O-CB 3.44Å; Q164-R185 VanDerWaalsContact OE1-CA 3.31Å
165	C	95.1	Very high	94.7	Very high	29 Å²	29	69.2 Å²	69.2	20%	0.196	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-5.9	-177.6	78.6	0	0	0	0	114.7	C162 R167 H177 R184	C162-C165 VanDerWaalsContact CB-SG 3.53Å; C162-C165 PolarHBondContact O-N 3.33Å; C162-C165 VanDerWaalsContact SG-SG 3.7Å; C165-R167 PolarHBondContact O-N 2.9Å; C165-R167 VanDerWaalsContact O-N 3.14Å; C165-H177 PolarHBondContact SG-NE2 2.87Å; C165-R184 HydrophobicContact CB-CB 4.45Å; C165-R184 HydrophobicContact CB-CG 4.27Å
166	Q	95	Very high	94.6	Very high	133 Å²	133	73.1 Å²	73.1	62%	0.621	37%	0.367	S	S	*	.			trans	55.1	24	179.7	-55.6	-69.3	53.2	0	0	115.1	C162	C162-Q166 WeakPolarHBondContact O-CA 3.4Å; C162-Q166 PolarHBondContact O-N 2.98Å; C162-Q166 PolarHBondContact O-OE1 3.41Å
167	R	95.5	Very high	94.7	Very high	158 Å²	158	69 Å²	69	60%	0.596	35%	0.348	S	S	*	.			trans	-91.2	143.9	171.6	-62.7	179.9	-178	-178.1	1	110	C162 C165 F169	C162-R167 PolarHBondContact N-O 3.13Å; C165-R167 PolarHBondContact O-N 2.9Å; C165-R167 VanDerWaalsContact O-N 3.14Å; R167-F169 HydrophobicContact CB-CE2 3.68Å; R167-F169 HydrophobicContact CB-CZ 4.1Å; R167-F169 WeakPolarHBondContact O-CD2 3.45Å; R167-F169 WeakPolarHBondContact O-CE2 3.47Å
168	P	94.9	Very high	94.7	Very high	78 Å²	78	67.8 Å²	67.8	51%	0.506	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	137.8	-179.9	30	-34.7	0	0	0	111.9	V160 D161	V160-P168 WeakPolarHBondContact O-CA 3.45Å; D161-P168 WeakPolarHBondContact OD1-CA 3.36Å; D161-P168 WeakPolarHBondContact OD1-CB 3.35Å
169	F	94.8	Very high	94.5	Very high	45 Å²	45	73.2 Å²	73.2	20%	0.197	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	152.8	174.3	-63.1	-87.4	0	0	0	110.7	L159 V160 C162 R167 I174 H177	L159-F169 CarbonylContact C-O 3.47Å; L159-F169 WeakPolarHBondContact CA-O 3.34Å; V160-F169 WeakPolarHBondContact CG2-O 3.23Å; V160-F169 PolarHBondContact N-O 3.49Å; V160-F169 PolarHBondContact O-N 2.89Å; C162-F169 HydrophobicContact CB-CD2 4.18Å; C162-F169 HydrophobicContact CB-CE2 4.09Å; R167-F169 HydrophobicContact CB-CE2 3.68Å; R167-F169 HydrophobicContact CB-CZ 4.1Å; R167-F169 WeakPolarHBondContact O-CD2 3.45Å; R167-F169 WeakPolarHBondContact O-CE2 3.47Å; F169-I174 HydrophobicContact CB-CB 4.48Å; F169-I174 HydrophobicContact CB-CD1 4Å; F169-I174 HydrophobicContact CD2-CD1 3.77Å; F169-I174 HydrophobicContact CG-CD1 4.21Å; F169-H177 HydrophobicContact CD1-CB 4.47Å; F169-H177 AromaticContact CD2-CD2 3.9Å; F169-H177 HydrophobicContact CE1-CB 4.45Å; F169-H177 AromaticContact CE1-ND1 3.81Å; F169-H177 AromaticContact CE2-CD2 3.44Å; F169-H177 VanDerWaalsContact CE2-CD2 3.44Å; F169-H177 WeakPolarHBondContact CE2-CD2 3.43Å; F169-H177 AromaticContact CE2-CE1 3.66Å; F169-H177 AromaticContact CE2-CG 3.75Å; F169-H177 AromaticContact CE2-ND1 3.89Å; F169-H177 AromaticContact CE2-NE2 3.39Å; F169-H177 WeakPolarHBondContact CE2-NE2 3.46Å; F169-H177 AromaticContact CZ-CD2 3.8Å; F169-H177 AromaticContact CZ-CE1 3.35Å; F169-H177 WeakPolarHBondContact CZ-CE1 3.28Å; F169-H177 AromaticContact CZ-CG 3.67Å; F169-H177 AromaticContact CZ-ND1 3.4Å; F169-H177 WeakPolarHBondContact CZ-ND1 3.44Å; F169-H177 AromaticContact CZ-NE2 3.61Å
170	Q	95	Very high	94.5	Very high	56 Å²	56	74.7 Å²	74.7	26%	0.262	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	139.5	169.7	-67.4	176.2	-46.7	0	0	110	E137 A158 L159 F172 H173 I174	E137-Q170 PolarHBondContact O-NE2 3.08Å; A158-Q170 CarbonylContact O-C 3.5Å; A158-Q170 WeakPolarHBondContact O-CA 3.27Å; L159-Q170 HydrophobicContact CD2-CG 3.83Å; Q170-F172 HydrophobicContact CB-CD1 3.83Å; Q170-F172 HydrophobicContact CB-CE1 3.6Å; Q170-F172 HydrophobicContact CB-CZ 4.31Å; Q170-F172 HydrophobicContact CG-CE1 4.18Å; Q170-F172 PolarHBondContact O-N 2.86Å; Q170-F172 VanDerWaalsContact O-N 3.16Å; Q170-H173 WeakPolarHBondContact O-CA 3.29Å; Q170-H173 PolarHBondContact O-N 3.01Å; Q170-I174 PolarHBondContact O-N 3.08Å
171	K	93.5	Very high	94.5	Very high	66 Å²	66	76.7 Å²	76.7	29%	0.287	38%	0.38	S	S	.	.	H	α-helix	trans	-54.2	-34.8	-175.7	-170.4	-177.9	-176.5	-176.4	0	113.2	A153 E156 A158 V160 H173 I174	A153-K171 PolarHBondContact O-NZ 2.93Å; A153-K171 VanDerWaalsContact O-NZ 3.1Å; E156-K171 WeakPolarHBondContact O-CB 3.34Å; E156-K171 PolarHBondContact O-N 3.3Å; E156-K171 VanDerWaalsContact O-N 3.13Å; A158-K171 PolarHBondContact O-N 3.29Å; V160-K171 HydrophobicContact CG2-CB 4.45Å; K171-H173 VanDerWaalsContact C-N 3.3Å; K171-H173 PolarHBondContact O-N 3.43Å; K171-I174 WeakPolarHBondContact O-CG2 3.32Å
172	F	91.9	Very high	94.5	Very high	93 Å²	93	71.9 Å²	71.9	41%	0.408	36%	0.355	S	S	.	.	H	α-helix	trans	-69.4	-27	175.1	74.2	-96.2	0	0	0	113.5	E156 F157 Q170	E156-F172 HydrophobicContact CB-CB 4.15Å; E156-F172 VanDerWaalsContact O-CD1 3.27Å; E156-F172 WeakPolarHBondContact O-CD1 3.38Å; E156-F172 PolarHBondContact O-N 2.81Å; E156-F172 WeakPolarHBondContact OE2-CA 3.35Å; E156-F172 PolarHBondContact OE2-N 2.96Å; F157-F172 HydrophobicContact CD1-CD1 4.44Å; F157-F172 AromaticContact CD1-CE1 3.96Å; F157-F172 HydrophobicContact CD1-CE1 3.96Å; F157-F172 HydrophobicContact CE1-CE1 4.07Å; Q170-F172 HydrophobicContact CB-CD1 3.83Å; Q170-F172 HydrophobicContact CB-CE1 3.6Å; Q170-F172 HydrophobicContact CB-CZ 4.31Å; Q170-F172 HydrophobicContact CG-CE1 4.18Å; Q170-F172 PolarHBondContact O-N 2.86Å; Q170-F172 VanDerWaalsContact O-N 3.16Å
173	H	94.1	Very high	94.5	Very high	70 Å²	70	74.1 Å²	74.1	32%	0.324	37%	0.369	S	S	.	.	H	α-helix	trans	-93.8	-21.3	-175.1	-165.4	-162.6	0	0	0	112.6	Q170 K171 N175 I176 H177	Q170-H173 WeakPolarHBondContact O-CA 3.29Å; Q170-H173 PolarHBondContact O-N 3.01Å; K171-H173 VanDerWaalsContact C-N 3.3Å; K171-H173 PolarHBondContact O-N 3.43Å; H173-N175 VanDerWaalsContact C-N 3.27Å; H173-N175 PolarHBondContact O-N 3.13Å; H173-I176 PolarHBondContact O-N 2.76Å; H173-I176 VanDerWaalsContact O-N 3.08Å; H173-H177 PolarHBondContact O-N 3.12Å; H173-H177 VanDerWaalsContact O-N 3.07Å
174	I	94.7	Very high	94.6	Very high	16 Å²	16	73.9 Å²	73.9	8%	0.082	36%	0.356	C	S	.	.	H	α-helix	trans	-56.6	-37.8	-174.9	-168.9	60.8	0	0	0	113.5	V160 C162 F169 Q170 K171 H177 I178	V160-I174 HydrophobicContact CG2-CB 3.97Å; V160-I174 HydrophobicContact CG2-CD1 4.5Å; V160-I174 HydrophobicContact CG2-CG1 4.03Å; V160-I174 HydrophobicContact CG2-CG2 4.16Å; C162-I174 HydrophobicContact CB-CD1 3.8Å; F169-I174 HydrophobicContact CB-CB 4.48Å; F169-I174 HydrophobicContact CB-CD1 4Å; F169-I174 HydrophobicContact CD2-CD1 3.77Å; F169-I174 HydrophobicContact CG-CD1 4.21Å; Q170-I174 PolarHBondContact O-N 3.08Å; K171-I174 WeakPolarHBondContact O-CG2 3.32Å; I174-H177 WeakPolarHBondContact O-CB 3.25Å; I174-H177 PolarHBondContact O-N 2.97Å; I174-I178 HydrophobicContact CD1-CD1 4.32Å; I174-I178 HydrophobicContact CD1-CG1 4.37Å; I174-I178 HydrophobicContact CG1-CD1 3.89Å; I174-I178 HydrophobicContact CG1-CG1 4.36Å; I174-I178 WeakPolarHBondContact O-CG1 3.08Å; I174-I178 PolarHBondContact O-N 2.98Å
175	N	93.3	Very high	94.8	Very high	104 Å²	104	73.5 Å²	73.5	56%	0.556	35%	0.352	S	S	*	.	H	α-helix	trans	-66.3	-39.9	179.7	-74.4	-40.3	0	0	0	112	H173 H177 L179	H173-N175 VanDerWaalsContact C-N 3.27Å; H173-N175 PolarHBondContact O-N 3.13Å; N175-H177 VanDerWaalsContact C-N 3.34Å; N175-L179 WeakPolarHBondContact O-CB 3.46Å; N175-L179 WeakPolarHBondContact O-CD1 3.34Å; N175-L179 VanDerWaalsContact O-CG 3.23Å; N175-L179 WeakPolarHBondContact O-CG 3.33Å; N175-L179 PolarHBondContact O-N 3.06Å; N175-L179 VanDerWaalsContact O-N 3.1Å
176	I	95.1	Very high	94.8	Very high	85 Å²	85	76.5 Å²	76.5	44%	0.436	36%	0.363	S	S	.	.	H	α-helix	trans	-65.1	-44.7	176	-60.1	176	0	0	0	109.2	H173 L179 K180	H173-I176 PolarHBondContact O-N 2.76Å; H173-I176 VanDerWaalsContact O-N 3.08Å; I176-L179 PolarHBondContact O-N 3.38Å; I176-K180 WeakPolarHBondContact O-CB 3.19Å; I176-K180 PolarHBondContact O-N 2.59Å
177	H	96.5	Very high	94.8	Very high	11 Å²	11	71.7 Å²	71.7	5%	0.051	34%	0.343	C	S	.	.	I	π-helix	trans	-57.5	-53.6	176.5	173.6	71.2	0	0	0	112	C165 F169 H173 I174 N175 L179 K180 D181 C182	C165-H177 PolarHBondContact SG-NE2 2.87Å; F169-H177 HydrophobicContact CD1-CB 4.47Å; F169-H177 AromaticContact CD2-CD2 3.9Å; F169-H177 HydrophobicContact CE1-CB 4.45Å; F169-H177 AromaticContact CE1-ND1 3.81Å; F169-H177 AromaticContact CE2-CD2 3.44Å; F169-H177 VanDerWaalsContact CE2-CD2 3.44Å; F169-H177 WeakPolarHBondContact CE2-CD2 3.43Å; F169-H177 AromaticContact CE2-CE1 3.66Å; F169-H177 AromaticContact CE2-CG 3.75Å; F169-H177 AromaticContact CE2-ND1 3.89Å; F169-H177 AromaticContact CE2-NE2 3.39Å; F169-H177 WeakPolarHBondContact CE2-NE2 3.46Å; F169-H177 AromaticContact CZ-CD2 3.8Å; F169-H177 AromaticContact CZ-CE1 3.35Å; F169-H177 WeakPolarHBondContact CZ-CE1 3.28Å; F169-H177 AromaticContact CZ-CG 3.67Å; F169-H177 AromaticContact CZ-ND1 3.4Å; F169-H177 WeakPolarHBondContact CZ-ND1 3.44Å; F169-H177 AromaticContact CZ-NE2 3.61Å; H173-H177 PolarHBondContact O-N 3.12Å; H173-H177 VanDerWaalsContact O-N 3.07Å; I174-H177 WeakPolarHBondContact O-CB 3.25Å; I174-H177 PolarHBondContact O-N 2.97Å; N175-H177 VanDerWaalsContact C-N 3.34Å; H177-L179 VanDerWaalsContact C-N 3.28Å; H177-L179 PolarHBondContact O-N 3.14Å; H177-K180 PolarHBondContact O-N 2.8Å; H177-D181 CarbonylContact O-C 3.54Å; H177-D181 PolarHBondContact O-N 2.82Å; H177-C182 VanDerWaalsContact CE1-CA 3.47Å; H177-C182 WeakPolarHBondContact CE1-CA 3.31Å; H177-C182 VanDerWaalsContact NE2-CB 3.34Å; H177-C182 WeakPolarHBondContact NE2-CB 3.43Å; H177-C182 VanDerWaalsContact O-CB 3.27Å; H177-C182 WeakPolarHBondContact O-CB 3.41Å; H177-C182 PolarHBondContact O-N 2.88Å
178	I	95.1	Very high	94.8	Very high	42 Å²	42	67.4 Å²	67.4	22%	0.215	34%	0.337	C	S	.	.	I	π-helix	trans	-58.7	-41	-178.9	-69.4	169.5	0	0	0	111.4	P163 I174 R185	P163-I178 HydrophobicContact CG-CD1 4.21Å; I174-I178 HydrophobicContact CD1-CD1 4.32Å; I174-I178 HydrophobicContact CD1-CG1 4.37Å; I174-I178 HydrophobicContact CG1-CD1 3.89Å; I174-I178 HydrophobicContact CG1-CG1 4.36Å; I174-I178 WeakPolarHBondContact O-CG1 3.08Å; I174-I178 PolarHBondContact O-N 2.98Å; I178-R185 VanDerWaalsContact O-CB 3.24Å; I178-R185 WeakPolarHBondContact O-CB 3.48Å
179	L	93.2	Very high	94.8	Very high	130 Å²	130	63.9 Å²	63.9	68%	0.681	31%	0.314	S	S	*	.	I	π-helix	trans	-79.1	-33.6	-175.3	-68.7	172	0	0	0	113.6	N175 I176 H177	N175-L179 WeakPolarHBondContact O-CB 3.46Å; N175-L179 WeakPolarHBondContact O-CD1 3.34Å; N175-L179 VanDerWaalsContact O-CG 3.23Å; N175-L179 WeakPolarHBondContact O-CG 3.33Å; N175-L179 PolarHBondContact O-N 3.06Å; N175-L179 VanDerWaalsContact O-N 3.1Å; I176-L179 PolarHBondContact O-N 3.38Å; H177-L179 VanDerWaalsContact C-N 3.28Å; H177-L179 PolarHBondContact O-N 3.14Å
180	K	93.7	Very high	94.7	Very high	152 Å²	152	68.1 Å²	68.1	66%	0.661	34%	0.339	S	S	*	.	I	π-helix	trans	-123.7	-43.2	-168.5	-63.6	-172.9	177.7	-178.8	0	114.5	I176 H177 R185	I176-K180 WeakPolarHBondContact O-CB 3.19Å; I176-K180 PolarHBondContact O-N 2.59Å; H177-K180 PolarHBondContact O-N 2.8Å; K180-R185 PolarHBondContact O-NH1 2.86Å
181	D	94.3	Very high	94.6	Very high	93 Å²	93	68.7 Å²	68.7	50%	0.497	34%	0.344	S	S	.	.	I	π-helix	trans	-103	-20.4	-165.1	-51	-40.4	0	0	0	113.7	H177 P183	H177-D181 CarbonylContact O-C 3.54Å; H177-D181 PolarHBondContact O-N 2.82Å; D181-P183 WeakPolarHBondContact O-CD 3.35Å
182	C	97.2	Very high	94.7	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.341	C	S	.	.			trans	-70.6	123.5	-176	-175.5	0	0	0	0	110.3	H177 R184 R185	H177-C182 VanDerWaalsContact CE1-CA 3.47Å; H177-C182 WeakPolarHBondContact CE1-CA 3.31Å; H177-C182 VanDerWaalsContact NE2-CB 3.34Å; H177-C182 WeakPolarHBondContact NE2-CB 3.43Å; H177-C182 VanDerWaalsContact O-CB 3.27Å; H177-C182 WeakPolarHBondContact O-CB 3.41Å; H177-C182 PolarHBondContact O-N 2.88Å; C182-R184 VanDerWaalsContact C-N 3.28Å; C182-R184 PolarHBondContact O-N 2.77Å; C182-R185 HydrophobicContact CB-CB 4.09Å; C182-R185 WeakPolarHBondContact O-CB 3.44Å; C182-R185 WeakPolarHBondContact O-CD 3.37Å; C182-R185 WeakPolarHBondContact O-CG 2.99Å; C182-R185 PolarHBondContact O-N 2.78Å; C182-R185 PolarHBondContact O-NH1 2.85Å
183	P	94.9	Very high	94.8	Very high	46 Å²	46	66.5 Å²	66.5	30%	0.299	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-26	176.8	28.3	-34.1	0	0	0	112.1	D181 R185 F198 E199	D181-P183 WeakPolarHBondContact O-CD 3.35Å; P183-R185 VanDerWaalsContact C-N 3.3Å; P183-F198 PolarHBondContact O-N 3.15Å; P183-E199 HydrophobicContact CB-CB 4.42Å; P183-E199 PolarHBondContact O-N 3.39Å
184	R	96.7	Very high	94.8	Very high	91 Å²	91	65.2 Å²	65.2	34%	0.343	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	8.2	174.7	-60.5	-63.6	-69	167.7	0.7	113.4	Q164 C165 C182 Q186 E199 D200	Q164-R184 HydrophobicContact CB-CB 3.9Å; Q164-R184 WeakPolarHBondContact O-CB 3.44Å; C165-R184 HydrophobicContact CB-CB 4.45Å; C165-R184 HydrophobicContact CB-CG 4.27Å; C182-R184 VanDerWaalsContact C-N 3.28Å; C182-R184 PolarHBondContact O-N 2.77Å; R184-Q186 PolarHBondContact O-N 2.78Å; R184-E199 WeakPolarHBondContact CD-OE1 3.25Å; R184-E199 IonicContact CZ-OE1 3.83Å; R184-E199 IonicContact NE-OE1 3.9Å; R184-E199 IonicContact NH1-OE1 3.87Å; R184-E199 PolarHBondContact NH1-OE1 3.37Å; R184-D200 IonicContact CZ-OD2 2.57Å; R184-D200 IonicContact NH1-OD2 2.67Å; R184-D200 PolarHBondContact NH1-OD2 3.36Å
185	R	95.9	Very high	94.8	Very high	46 Å²	46	70.2 Å²	70.2	17%	0.174	38%	0.38	C	S	.	.			trans	-59.4	138.9	178.2	73.1	-176	176.6	-97.6	7.4	110.7	Q164 I178 K180 C182 P183 V187 A197 F198	Q164-R185 VanDerWaalsContact OE1-CA 3.31Å; I178-R185 VanDerWaalsContact O-CB 3.24Å; I178-R185 WeakPolarHBondContact O-CB 3.48Å; K180-R185 PolarHBondContact O-NH1 2.86Å; C182-R185 HydrophobicContact CB-CB 4.09Å; C182-R185 WeakPolarHBondContact O-CB 3.44Å; C182-R185 WeakPolarHBondContact O-CD 3.37Å; C182-R185 WeakPolarHBondContact O-CG 2.99Å; C182-R185 PolarHBondContact O-N 2.78Å; C182-R185 PolarHBondContact O-NH1 2.85Å; P183-R185 VanDerWaalsContact C-N 3.3Å; R185-V187 HydrophobicContact CG-CG1 4.29Å; R185-A197 CarbonylContact O-C 3.59Å; R185-A197 WeakPolarHBondContact O-CA 3.37Å; R185-F198 HydrophobicContact CG-CB 3.59Å; R185-F198 HydrophobicContact CG-CG 4.31Å; R185-F198 VanDerWaalsContact CZ-CG 3.46Å; R185-F198 VanDerWaalsContact NH2-CD2 3.31Å; R185-F198 VanDerWaalsContact NH2-CE1 3.27Å; R185-F198 PolarHBondContact O-N 2.95Å
186	Q	95.2	Very high	95	Very high	91 Å²	91	66.3 Å²	66.3	43%	0.425	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	126.7	179.9	-63.6	-63.4	-44.2	0	0	110	R184 V196	R184-Q186 PolarHBondContact O-N 2.78Å; Q186-V196 WeakPolarHBondContact CA-O 3.33Å
187	V	95.1	Very high	95	Very high	32 Å²	32	62.5 Å²	62.5	19%	0.194	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	145.4	174.9	-64.7	0	0	0	0	109.5	R185 V196 F198 K201	R185-V187 HydrophobicContact CG-CG1 4.29Å; V187-V196 HydrophobicContact CG2-CG2 4.06Å; V187-V196 WeakPolarHBondContact CG2-O 3.25Å; V187-V196 PolarHBondContact N-O 2.73Å; V187-V196 PolarHBondContact O-N 2.69Å; V187-F198 HydrophobicContact CG1-CB 4.25Å; V187-F198 HydrophobicContact CG1-CD2 4.11Å; V187-F198 HydrophobicContact CG2-CB 4.32Å; V187-F198 HydrophobicContact CG2-CD2 4.43Å; V187-K201 HydrophobicContact CG2-CB 4.17Å; V187-K201 HydrophobicContact CG2-CD 3.77Å; V187-K201 HydrophobicContact CG2-CG 4.46Å
188	S	95.8	Very high	95	Very high	69 Å²	69	66.4 Å²	66.4	48%	0.483	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	135.4	178.1	54.3	0	0	0	0	111.3	A194	S188-A194 WeakPolarHBondContact CA-O 3.43Å
189	C	95.2	Very high	95.1	Very high	3 Å²	3	69 Å²	69	2%	0.02	37%	0.369	C	S	.	.			trans	-71.9	133.9	165.8	178.1	0	0	0	0	110.8	N191 C192 A193 A194 H204	C189-N191 PolarHBondContact O-N 3.17Å; C189-N191 PolarHBondContact SG-N 2.88Å; C189-N191 VanDerWaalsContact SG-N 3.42Å; C189-C192 VanDerWaalsContact CB-SG 3.53Å; C189-A193 WeakPolarHBondContact O-CA 3.46Å; C189-A193 PolarHBondContact O-N 3.47Å; C189-A194 PolarHBondContact N-O 2.7Å; C189-H204 WeakPolarHBondContact CB-NE2 3.32Å; C189-H204 VanDerWaalsContact SG-CD2 3.57Å; C189-H204 PolarHBondContact SG-NE2 2.84Å
190	D	93	Very high	95.2	Very high	134 Å²	134	65.8 Å²	65.8	72%	0.717	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-22.6	-179.3	-52.7	-68.5	0	0	0	113.4	K201	D190-K201 IonicContact OD2-NZ 3.86Å; D190-K201 PolarHBondContact OD2-NZ 3.17Å
191	N	92.7	Very high	95.3	Very high	68 Å²	68	60.6 Å²	60.6	36%	0.364	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-40.2	-176.9	-60.7	-63.5	0	0	0	113.3	C189 L210 A211	C189-N191 PolarHBondContact O-N 3.17Å; C189-N191 PolarHBondContact SG-N 2.88Å; C189-N191 VanDerWaalsContact SG-N 3.42Å; N191-L210 HydrophobicContact CB-CB 4.47Å; N191-A211 HydrophobicContact CB-CB 4.38Å
192	C	94.8	Very high	95.3	Very high	35 Å²	35	62.7 Å²	62.7	24%	0.236	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-4.5	-176.2	76.3	0	0	0	0	115	C189 A194 H204 L210	C189-C192 VanDerWaalsContact CB-SG 3.53Å; C192-A194 PolarHBondContact O-N 3.36Å; C192-A194 WeakPolarHBondContact SG-CB 3.3Å; C192-H204 VanDerWaalsContact SG-CE1 3.52Å; C192-H204 PolarHBondContact SG-NE2 3.13Å; C192-L210 HydrophobicContact CB-CB 4.15Å; C192-L210 HydrophobicContact CB-CD1 3.8Å; C192-L210 HydrophobicContact CB-CG 4.22Å
193	A	93.7	Very high	95.3	Very high	78 Å²	78	67.6 Å²	67.6	65%	0.645	36%	0.362	S	S	*	.			trans	57.5	5.3	-176	0	0	0	0	0	115.8	C189	C189-A193 WeakPolarHBondContact O-CA 3.46Å; C189-A193 PolarHBondContact O-N 3.47Å
194	A	94.3	Very high	95.4	Very high	43 Å²	43	67.4 Å²	67.4	36%	0.355	36%	0.357	S	S	.	.			trans	-64.9	142.5	175.2	0	0	0	0	0	110.8	S188 C189 C192	S188-A194 WeakPolarHBondContact CA-O 3.43Å; C189-A194 PolarHBondContact N-O 2.7Å; C192-A194 PolarHBondContact O-N 3.36Å; C192-A194 WeakPolarHBondContact SG-CB 3.3Å
195	L	95.8	Very high	95.3	Very high	122 Å²	122	65.4 Å²	65.4	64%	0.639	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	118.4	170.4	-64.9	176.5	0	0	0	108.8
196	V	96.1	Very high	95.2	Very high	22 Å²	22	68.5 Å²	68.5	13%	0.133	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	152.9	178.9	-61.9	0	0	0	0	109.8	Q186 V187 K201 H204	Q186-V196 WeakPolarHBondContact CA-O 3.33Å; V187-V196 HydrophobicContact CG2-CG2 4.06Å; V187-V196 WeakPolarHBondContact CG2-O 3.25Å; V187-V196 PolarHBondContact N-O 2.73Å; V187-V196 PolarHBondContact O-N 2.69Å; V196-K201 HydrophobicContact CG2-CB 4.25Å; V196-H204 HydrophobicContact CG1-CB 4.38Å
197	A	96.1	Very high	95.2	Very high	5 Å²	5	69.2 Å²	69.2	4%	0.041	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	140.5	171.7	0	0	0	0	0	109.7	R185 E199 D200 K201	R185-A197 CarbonylContact O-C 3.59Å; R185-A197 WeakPolarHBondContact O-CA 3.37Å; A197-E199 VanDerWaalsContact C-N 3.3Å; A197-E199 HydrophobicContact CB-CG 4.33Å; A197-E199 PolarHBondContact O-N 3.34Å; A197-D200 HydrophobicContact CB-CB 4.27Å; A197-D200 WeakPolarHBondContact CB-OD2 3.25Å; A197-D200 CarbonylContact O-C 3.56Å; A197-D200 WeakPolarHBondContact O-CA 3.3Å; A197-D200 PolarHBondContact O-N 2.72Å; A197-K201 PolarHBondContact O-N 3.29Å; A197-K201 VanDerWaalsContact O-N 3.09Å
198	F	96.5	Very high	95.3	Very high	93 Å²	93	67.8 Å²	67.8	41%	0.408	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-57	-41.6	-177.7	175.2	-100.8	0	0	0	112.9	P183 R185 V187 D200 K201	P183-F198 PolarHBondContact O-N 3.15Å; R185-F198 HydrophobicContact CG-CB 3.59Å; R185-F198 HydrophobicContact CG-CG 4.31Å; R185-F198 VanDerWaalsContact CZ-CG 3.46Å; R185-F198 VanDerWaalsContact NH2-CD2 3.31Å; R185-F198 VanDerWaalsContact NH2-CE1 3.27Å; R185-F198 PolarHBondContact O-N 2.95Å; V187-F198 HydrophobicContact CG1-CB 4.25Å; V187-F198 HydrophobicContact CG1-CD2 4.11Å; V187-F198 HydrophobicContact CG2-CB 4.32Å; V187-F198 HydrophobicContact CG2-CD2 4.43Å; F198-D200 PolarHBondContact O-N 3.1Å; F198-K201 WeakPolarHBondContact O-CB 3.48Å; F198-K201 PolarHBondContact O-N 3.35Å
199	E	96	Very high	95.3	Very high	95 Å²	95	67.1 Å²	67.1	44%	0.444	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-62.9	-27.8	174.9	66.6	-178.9	-174.9	0	0	113.7	P183 R184 A197	P183-E199 HydrophobicContact CB-CB 4.42Å; P183-E199 PolarHBondContact O-N 3.39Å; R184-E199 WeakPolarHBondContact CD-OE1 3.25Å; R184-E199 IonicContact CZ-OE1 3.83Å; R184-E199 IonicContact NE-OE1 3.9Å; R184-E199 IonicContact NH1-OE1 3.87Å; R184-E199 PolarHBondContact NH1-OE1 3.37Å; A197-E199 VanDerWaalsContact C-N 3.3Å; A197-E199 HydrophobicContact CB-CG 4.33Å; A197-E199 PolarHBondContact O-N 3.34Å
200	D	96.6	Very high	95.3	Very high	63 Å²	63	70.7 Å²	70.7	34%	0.337	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-91	-6.8	-179.5	-64.5	-38	0	0	0	112.1	R184 A197 F198 E202 I203 H204	R184-D200 IonicContact CZ-OD2 2.57Å; R184-D200 IonicContact NH1-OD2 2.67Å; R184-D200 PolarHBondContact NH1-OD2 3.36Å; A197-D200 HydrophobicContact CB-CB 4.27Å; A197-D200 WeakPolarHBondContact CB-OD2 3.25Å; A197-D200 CarbonylContact O-C 3.56Å; A197-D200 WeakPolarHBondContact O-CA 3.3Å; A197-D200 PolarHBondContact O-N 2.72Å; F198-D200 PolarHBondContact O-N 3.1Å; D200-E202 VanDerWaalsContact C-N 3.35Å; D200-E202 PolarHBondContact O-N 3.45Å; D200-I203 PolarHBondContact O-N 3.46Å; D200-H204 WeakPolarHBondContact O-CB 3.27Å; D200-H204 PolarHBondContact O-N 3.44Å
201	K	95.4	Very high	95.4	Very high	43 Å²	43	64.6 Å²	64.6	19%	0.187	35%	0.349	C	S	.	.	H	α-helix	trans	-60.3	-41	-173.9	175.8	165.1	168.6	47.9	0	112.6	V187 D190 V196 A197 F198 H204 D205	V187-K201 HydrophobicContact CG2-CB 4.17Å; V187-K201 HydrophobicContact CG2-CD 3.77Å; V187-K201 HydrophobicContact CG2-CG 4.46Å; D190-K201 IonicContact OD2-NZ 3.86Å; D190-K201 PolarHBondContact OD2-NZ 3.17Å; V196-K201 HydrophobicContact CG2-CB 4.25Å; A197-K201 PolarHBondContact O-N 3.29Å; A197-K201 VanDerWaalsContact O-N 3.09Å; F198-K201 WeakPolarHBondContact O-CB 3.48Å; F198-K201 PolarHBondContact O-N 3.35Å; K201-H204 PolarHBondContact O-N 3.06Å; K201-D205 WeakPolarHBondContact CG-OD2 3.2Å; K201-D205 IonicContact NZ-OD1 3.96Å; K201-D205 PolarHBondContact NZ-OD1 3.47Å; K201-D205 IonicContact NZ-OD2 3.04Å; K201-D205 PolarHBondContact NZ-OD2 3.5Å; K201-D205 WeakPolarHBondContact O-CB 3.46Å; K201-D205 VanDerWaalsContact O-CG 3.22Å; K201-D205 PolarHBondContact O-N 2.93Å
202	E	95.2	Very high	95.4	Very high	138 Å²	138	66.5 Å²	66.5	65%	0.645	36%	0.359	S	S	*	.	H	α-helix	trans	-65	-45.8	-179.7	-175.3	175.8	-174	0	0	111.8	D200 H204 D205 Q206	D200-E202 VanDerWaalsContact C-N 3.35Å; D200-E202 PolarHBondContact O-N 3.45Å; E202-H204 VanDerWaalsContact C-N 3.3Å; E202-H204 PolarHBondContact O-N 3.29Å; E202-D205 PolarHBondContact O-N 2.97Å; E202-Q206 WeakPolarHBondContact O-CG 3.38Å; E202-Q206 PolarHBondContact O-N 3.47Å
203	I	96.8	Very high	95.4	Very high	102 Å²	102	66.2 Å²	66.2	52%	0.523	36%	0.357	S	S	.	.	H	α-helix	trans	-65.5	-38.6	177.4	-60.7	170.7	0	0	0	110.3	D200 N207	D200-I203 PolarHBondContact O-N 3.46Å; I203-N207 PolarHBondContact O-N 3.07Å; I203-N207 PolarHBondContact O-ND2 3.26Å
204	H	97.3	Very high	95.5	Very high	42 Å²	42	67.8 Å²	67.8	19%	0.194	35%	0.353	C	S	.	.	H	α-helix	trans	-61.8	-51.1	173.5	175.8	84.2	0	0	0	111.4	C189 C192 V196 D200 K201 E202 Q206 N207 C208	C189-H204 WeakPolarHBondContact CB-NE2 3.32Å; C189-H204 VanDerWaalsContact SG-CD2 3.57Å; C189-H204 PolarHBondContact SG-NE2 2.84Å; C192-H204 VanDerWaalsContact SG-CE1 3.52Å; C192-H204 PolarHBondContact SG-NE2 3.13Å; V196-H204 HydrophobicContact CG1-CB 4.38Å; D200-H204 WeakPolarHBondContact O-CB 3.27Å; D200-H204 PolarHBondContact O-N 3.44Å; K201-H204 PolarHBondContact O-N 3.06Å; E202-H204 VanDerWaalsContact C-N 3.3Å; E202-H204 PolarHBondContact O-N 3.29Å; H204-Q206 VanDerWaalsContact C-N 3.27Å; H204-Q206 PolarHBondContact O-N 3.05Å; H204-N207 CarbonylContact O-C 3.58Å; H204-N207 PolarHBondContact O-N 3.01Å; H204-C208 WeakPolarHBondContact O-CA 3.31Å; H204-C208 VanDerWaalsContact O-CB 3.28Å; H204-C208 WeakPolarHBondContact O-CB 3.27Å; H204-C208 PolarHBondContact O-N 3.27Å
205	D	93.6	Very high	95.5	Very high	49 Å²	49	65.8 Å²	65.8	26%	0.262	34%	0.336	S	S	.	.	H	α-helix	trans	-61.4	-36.2	-177.3	-71.4	-22	0	0	0	111.6	K201 E202 N207	K201-D205 WeakPolarHBondContact CG-OD2 3.2Å; K201-D205 IonicContact NZ-OD1 3.96Å; K201-D205 PolarHBondContact NZ-OD1 3.47Å; K201-D205 IonicContact NZ-OD2 3.04Å; K201-D205 PolarHBondContact NZ-OD2 3.5Å; K201-D205 WeakPolarHBondContact O-CB 3.46Å; K201-D205 VanDerWaalsContact O-CG 3.22Å; K201-D205 PolarHBondContact O-N 2.93Å; E202-D205 PolarHBondContact O-N 2.97Å; D205-N207 VanDerWaalsContact C-N 3.27Å; D205-N207 PolarHBondContact O-N 2.88Å
206	Q	94.4	Very high	95.4	Very high	112 Å²	112	66 Å²	66	52%	0.523	33%	0.334	S	S	.	.	H	α-helix	trans	-65.9	-25.4	173.6	-71.6	177.7	18.7	0	0	113.9	E202 H204 R224	E202-Q206 WeakPolarHBondContact O-CG 3.38Å; E202-Q206 PolarHBondContact O-N 3.47Å; H204-Q206 VanDerWaalsContact C-N 3.27Å; H204-Q206 PolarHBondContact O-N 3.05Å; Q206-R224 PolarHBondContact O-NH1 2.92Å; Q206-R224 PolarHBondContact O-NH2 3.13Å
207	N	95.4	Very high	95.3	Very high	106 Å²	106	69.5 Å²	69.5	57%	0.567	35%	0.345	S	S	*	.	H	α-helix	trans	-116	2.2	-176.3	-65.7	-51.8	0	0	0	113.6	I203 H204 D205	I203-N207 PolarHBondContact O-N 3.07Å; I203-N207 PolarHBondContact O-ND2 3.26Å; H204-N207 CarbonylContact O-C 3.58Å; H204-N207 PolarHBondContact O-N 3.01Å; D205-N207 VanDerWaalsContact C-N 3.27Å; D205-N207 PolarHBondContact O-N 2.88Å
208	C	97	Very high	95.2	Very high	1 Å²	1	70.7 Å²	70.7	1%	0.007	35%	0.353	C	S	.	.			trans	-64.2	122.9	-172.6	176.9	0	0	0	0	109.5	H204 L210 A211 R224	H204-C208 WeakPolarHBondContact O-CA 3.31Å; H204-C208 VanDerWaalsContact O-CB 3.28Å; H204-C208 WeakPolarHBondContact O-CB 3.27Å; H204-C208 PolarHBondContact O-N 3.27Å; C208-L210 PolarHBondContact O-N 3.13Å; C208-A211 HydrophobicContact CB-CB 3.85Å; C208-A211 WeakPolarHBondContact O-CB 3.4Å; C208-A211 PolarHBondContact O-N 3.37Å; C208-A211 VanDerWaalsContact O-N 3.13Å; C208-R224 WeakPolarHBondContact O-CB 3.45Å; C208-R224 WeakPolarHBondContact O-CD 3.49Å; C208-R224 PolarHBondContact O-NE 2.79Å
209	P	94.8	Very high	95	Very high	55 Å²	55	72 Å²	72	36%	0.357	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-24.9	-176.5	25.1	-33.5	0	0	0	112.1	R224 E225	P209-R224 PolarHBondContact O-N 3.47Å; P209-E225 HydrophobicContact CB-CB 4.24Å; P209-E225 WeakPolarHBondContact O-CB 3.39Å; P209-E225 PolarHBondContact O-N 2.95Å
210	L	95.5	Very high	94.9	Very high	78 Å²	78	70.6 Å²	70.6	41%	0.408	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	0.3	179.8	-56.6	-175.3	0	0	0	113.2	N191 C192 C208 I223	N191-L210 HydrophobicContact CB-CB 4.47Å; C192-L210 HydrophobicContact CB-CB 4.15Å; C192-L210 HydrophobicContact CB-CD1 3.8Å; C192-L210 HydrophobicContact CB-CG 4.22Å; C208-L210 PolarHBondContact O-N 3.13Å; L210-I223 HydrophobicContact CD2-CD1 3.96Å
211	A	94.5	Very high	94.8	Very high	7 Å²	7	72.9 Å²	72.9	6%	0.058	37%	0.373	C	S	.	.	S	Bend	trans	-72.1	137.5	175	0	0	0	0	0	111.3	N191 C208 I223 R224	N191-A211 HydrophobicContact CB-CB 4.38Å; C208-A211 HydrophobicContact CB-CB 3.85Å; C208-A211 WeakPolarHBondContact O-CB 3.4Å; C208-A211 PolarHBondContact O-N 3.37Å; C208-A211 VanDerWaalsContact O-N 3.13Å; A211-I223 WeakPolarHBondContact O-CA 3.38Å; A211-R224 PolarHBondContact O-N 3.03Å
212	N	94.3	Very high	94.7	Very high	108 Å²	108	72.4 Å²	72.4	58%	0.578	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	131.1	174.5	-69.4	-36.4	0	0	0	110.8	I221 L222	N212-I221 HydrophobicContact CB-CG2 3.95Å; N212-L222 CarbonylContact C-O 3.55Å; N212-L222 WeakPolarHBondContact CA-O 3.32Å
213	V	94.5	Very high	94.7	Very high	29 Å²	29	68 Å²	68	18%	0.176	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	152.7	175.9	-63.7	0	0	0	0	109.4	I221 L222 R224 M227	V213-I221 WeakPolarHBondContact O-CA 3.24Å; V213-L222 WeakPolarHBondContact CG2-O 3.3Å; V213-L222 PolarHBondContact N-O 3.07Å; V213-L222 PolarHBondContact O-N 3.06Å; V213-L222 VanDerWaalsContact O-O 3.1Å; V213-R224 HydrophobicContact CG1-CB 4.22Å; V213-R224 HydrophobicContact CG2-CB 4.37Å; V213-M227 HydrophobicContact CG2-CG 3.39Å; V213-M227 HydrophobicContact CG2-SD 3.99Å
214	I	95.2	Very high	94.6	Very high	111 Å²	111	67.5 Å²	67.5	57%	0.569	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100	125.7	-179.2	-55.4	176.7	0	0	0	108	E216 N219 I221	I214-E216 PolarHBondContact O-N 3.18Å; I214-N219 HydrophobicContact CG2-CB 4.32Å; I214-I221 HydrophobicContact CG1-CG1 4.32Å
215	C	95.2	Very high	94.5	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	36%	0.364	C	S	.	.			trans	-63.3	124.1	173.3	173.5	0	0	0	0	110.8	Y217 C218 N219 T220 M227 H230	C215-Y217 PolarHBondContact O-N 2.86Å; C215-C218 PolarHBondContact SG-SG 3.24Å; C215-N219 WeakPolarHBondContact O-CA 3.47Å; C215-N219 PolarHBondContact O-N 3.27Å; C215-T220 WeakPolarHBondContact CB-O 3.32Å; C215-T220 PolarHBondContact N-O 3.19Å; C215-M227 HydrophobicContact CB-CE 3.88Å; C215-M227 HydrophobicContact CB-SD 4.25Å; C215-H230 PolarHBondContact SG-NE2 2.91Å
216	E	94.1	Very high	94.5	Very high	128 Å²	128	74 Å²	74	60%	0.598	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-20.5	-178.4	66.7	-173.8	171.3	0	0	114	I214	I214-E216 PolarHBondContact O-N 3.18Å
217	Y	92.7	Very high	94.4	Very high	94 Å²	94	69.5 Å²	69.5	37%	0.369	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-41.8	-177.4	-56.4	-73.7	0	0	0	113.4	C215 Y231 T237 A238 P239	C215-Y217 PolarHBondContact O-N 2.86Å; Y217-Y231 AromaticContact CD2-CD1 3.92Å; Y217-Y231 HydrophobicContact CD2-CD1 3.92Å; Y217-Y231 AromaticContact CD2-CE1 3.52Å; Y217-Y231 HydrophobicContact CD2-CE1 3.52Å; Y217-Y231 HydrophobicContact CE2-CD1 4.03Å; Y217-Y231 AromaticContact CE2-CE1 3.62Å; Y217-Y231 HydrophobicContact CE2-CE1 3.62Å; Y217-Y231 AromaticContact CE2-CZ 3.92Å; Y217-T237 VanDerWaalsContact CB-OG1 3.32Å; Y217-T237 WeakPolarHBondContact CB-OG1 3.47Å; Y217-T237 WeakPolarHBondContact O-CB 3.25Å; Y217-T237 PolarHBondContact O-OG1 3.42Å; Y217-A238 HydrophobicContact CD2-CB 3.86Å; Y217-A238 HydrophobicContact CE2-CB 4.34Å; Y217-A238 HydrophobicContact CG-CB 4.11Å; Y217-P239 HydrophobicContact CE1-CG 4.27Å
218	C	93.5	Very high	94.3	Very high	31 Å²	31	68 Å²	68	21%	0.209	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-1.9	-173.3	74.8	0	0	0	0	114	C215 T220 H230 P236 T237	C215-C218 PolarHBondContact SG-SG 3.24Å; C218-T220 PolarHBondContact O-N 3.28Å; C218-T220 VanDerWaalsContact O-N 3.08Å; C218-T220 VanDerWaalsContact SG-CB 3.53Å; C218-T220 PolarHBondContact SG-OG1 3.39Å; C218-H230 PolarHBondContact SG-NE2 3.36Å; C218-P236 HydrophobicContact CB-CG 4.18Å; C218-T237 WeakPolarHBondContact CB-OG1 3.4Å; C218-T237 PolarHBondContact N-OG1 3.4Å
219	N	93.6	Very high	94	Very high	121 Å²	121	72.8 Å²	72.8	65%	0.647	37%	0.374	S	S	*	.			trans	57.6	15.4	-177.3	-60.2	-48.7	0	0	0	115.2	I214 C215	I214-N219 HydrophobicContact CG2-CB 4.32Å; C215-N219 WeakPolarHBondContact O-CA 3.47Å; C215-N219 PolarHBondContact O-N 3.27Å
220	T	93	Very high	93.9	Very high	65 Å²	65	70.9 Å²	70.9	40%	0.399	36%	0.361	S	S	.	.			trans	-70	136.4	172.5	-56.8	0	0	0	0	109.3	C215 C218 L222	C215-T220 WeakPolarHBondContact CB-O 3.32Å; C215-T220 PolarHBondContact N-O 3.19Å; C218-T220 PolarHBondContact O-N 3.28Å; C218-T220 VanDerWaalsContact O-N 3.08Å; C218-T220 VanDerWaalsContact SG-CB 3.53Å; C218-T220 PolarHBondContact SG-OG1 3.39Å; T220-L222 HydrophobicContact CG2-CD2 4.26Å; T220-L222 HydrophobicContact CG2-CG 4.12Å
221	I	94.9	Very high	93.7	Very high	110 Å²	110	70.5 Å²	70.5	56%	0.564	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	123	175.8	-54.4	177.3	0	0	0	108.2	N212 V213 I214	N212-I221 HydrophobicContact CB-CG2 3.95Å; V213-I221 WeakPolarHBondContact O-CA 3.24Å; I214-I221 HydrophobicContact CG1-CG1 4.32Å
222	L	92.2	Very high	93.2	Very high	34 Å²	34	75.6 Å²	75.6	18%	0.178	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	162.8	179.4	-65.3	168.6	0	0	0	109.3	N212 V213 T220 M227 H230	N212-L222 CarbonylContact C-O 3.55Å; N212-L222 WeakPolarHBondContact CA-O 3.32Å; V213-L222 WeakPolarHBondContact CG2-O 3.3Å; V213-L222 PolarHBondContact N-O 3.07Å; V213-L222 PolarHBondContact O-N 3.06Å; V213-L222 VanDerWaalsContact O-O 3.1Å; T220-L222 HydrophobicContact CG2-CD2 4.26Å; T220-L222 HydrophobicContact CG2-CG 4.12Å; L222-M227 HydrophobicContact CB-SD 4.16Å; L222-M227 HydrophobicContact CD1-SD 3.99Å; L222-H230 HydrophobicContact CD1-CB 3.65Å; L222-H230 VanDerWaalsContact CD1-CG 3.41Å
223	I	95.4	Very high	92.8	Very high	44 Å²	44	75.8 Å²	75.8	23%	0.226	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	148.7	167.1	60.2	170.2	0	0	0	110.1	L210 A211 E225 Q226	L210-I223 HydrophobicContact CD2-CD1 3.96Å; A211-I223 WeakPolarHBondContact O-CA 3.38Å; I223-E225 VanDerWaalsContact C-N 3.28Å; I223-E225 HydrophobicContact CD1-CB 4.48Å; I223-E225 PolarHBondContact O-N 3.39Å; I223-Q226 HydrophobicContact CD1-CG 3.97Å; I223-Q226 HydrophobicContact CG1-CB 4.07Å; I223-Q226 VanDerWaalsContact CG1-CD 3.46Å; I223-Q226 HydrophobicContact CG1-CG 3.6Å; I223-Q226 PolarHBondContact O-N 2.84Å
224	R	95.6	Very high	92.6	Very high	92 Å²	92	79.5 Å²	79.5	35%	0.347	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-51.7	-42.4	-176.5	-175.6	-178.3	-60.7	-87.5	-5.4	113.7	Q206 C208 P209 A211 V213 Q226 M227	Q206-R224 PolarHBondContact O-NH1 2.92Å; Q206-R224 PolarHBondContact O-NH2 3.13Å; C208-R224 WeakPolarHBondContact O-CB 3.45Å; C208-R224 WeakPolarHBondContact O-CD 3.49Å; C208-R224 PolarHBondContact O-NE 2.79Å; P209-R224 PolarHBondContact O-N 3.47Å; A211-R224 PolarHBondContact O-N 3.03Å; V213-R224 HydrophobicContact CG1-CB 4.22Å; V213-R224 HydrophobicContact CG2-CB 4.37Å; R224-Q226 PolarHBondContact O-N 2.84Å; R224-M227 WeakPolarHBondContact O-CB 3.47Å; R224-M227 PolarHBondContact O-N 2.88Å
225	E	95.2	Very high	92.5	Very high	131 Å²	131	74.2 Å²	74.2	61%	0.612	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-60	-28.6	179.7	-171.1	64.7	-163	0	0	113.4	P209 I223	P209-E225 HydrophobicContact CB-CB 4.24Å; P209-E225 WeakPolarHBondContact O-CB 3.39Å; P209-E225 PolarHBondContact O-N 2.95Å; I223-E225 VanDerWaalsContact C-N 3.28Å; I223-E225 HydrophobicContact CD1-CB 4.48Å; I223-E225 PolarHBondContact O-N 3.39Å
226	Q	94.3	Very high	92.3	Very high	97 Å²	97	77 Å²	77	45%	0.453	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-85.2	-13.6	-177.9	-71.5	174.6	-14.9	0	0	113.5	I223 R224 N229 H230	I223-Q226 HydrophobicContact CD1-CG 3.97Å; I223-Q226 HydrophobicContact CG1-CB 4.07Å; I223-Q226 VanDerWaalsContact CG1-CD 3.46Å; I223-Q226 HydrophobicContact CG1-CG 3.6Å; I223-Q226 PolarHBondContact O-N 2.84Å; R224-Q226 PolarHBondContact O-N 2.84Å; Q226-N229 PolarHBondContact O-N 3.13Å; Q226-H230 WeakPolarHBondContact O-CB 3.17Å; Q226-H230 PolarHBondContact O-N 3.35Å
227	M	92.5	Very high	92.2	Very high	17 Å²	17	72.5 Å²	72.5	8%	0.084	37%	0.372	C	S	.	.	H	α-helix	trans	-61.3	-41.5	-174.1	-77.9	-60.5	-59.7	0	0	115.1	V213 C215 L222 R224 H230 Y231	V213-M227 HydrophobicContact CG2-CG 3.39Å; V213-M227 HydrophobicContact CG2-SD 3.99Å; C215-M227 HydrophobicContact CB-CE 3.88Å; C215-M227 HydrophobicContact CB-SD 4.25Å; L222-M227 HydrophobicContact CB-SD 4.16Å; L222-M227 HydrophobicContact CD1-SD 3.99Å; R224-M227 WeakPolarHBondContact O-CB 3.47Å; R224-M227 PolarHBondContact O-N 2.88Å; M227-H230 WeakPolarHBondContact O-CB 3.41Å; M227-H230 PolarHBondContact O-N 2.92Å; M227-Y231 HydrophobicContact CE-CD1 4.09Å; M227-Y231 HydrophobicContact CE-CE1 3.23Å; M227-Y231 HydrophobicContact CE-CE2 3.98Å; M227-Y231 WeakPolarHBondContact CE-OH 3.11Å; M227-Y231 PolarHBondContact O-N 3.5Å
228	P	91.4	Very high	92.2	Very high	75 Å²	75	68.2 Å²	68.2	49%	0.487	36%	0.356	S	S	.	.	H	α-helix	trans	-59.7	-50.2	178.1	-24.9	35.3	0	0	0	112.5	H230 Y231 D232	P228-H230 VanDerWaalsContact C-N 3.3Å; P228-H230 PolarHBondContact O-N 2.95Å; P228-Y231 PolarHBondContact O-N 3.37Å; P228-D232 PolarHBondContact O-N 3.5Å; P228-D232 VanDerWaalsContact O-N 3.11Å
229	N	91.6	Very high	92.2	Very high	101 Å²	101	70.1 Å²	70.1	54%	0.54	37%	0.368	S	S	.	.	H	α-helix	trans	-63	-38.5	177.4	-72.2	-18	0	0	0	111.5	Q226 Y231 D232 L233	Q226-N229 PolarHBondContact O-N 3.13Å; N229-Y231 PolarHBondContact O-N 2.9Å; N229-D232 PolarHBondContact O-N 3.04Å; N229-L233 WeakPolarHBondContact O-CB 3.36Å; N229-L233 PolarHBondContact O-N 2.85Å
230	H	93.6	Very high	92.1	Very high	15 Å²	15	65.3 Å²	65.3	7%	0.069	34%	0.342	C	S	.	.	I	π-helix	trans	-59.3	-45.2	175	174.3	70.3	0	0	0	111.7	C215 C218 L222 Q226 M227 P228 D234 C235	C215-H230 PolarHBondContact SG-NE2 2.91Å; C218-H230 PolarHBondContact SG-NE2 3.36Å; L222-H230 HydrophobicContact CD1-CB 3.65Å; L222-H230 VanDerWaalsContact CD1-CG 3.41Å; Q226-H230 WeakPolarHBondContact O-CB 3.17Å; Q226-H230 PolarHBondContact O-N 3.35Å; M227-H230 WeakPolarHBondContact O-CB 3.41Å; M227-H230 PolarHBondContact O-N 2.92Å; P228-H230 VanDerWaalsContact C-N 3.3Å; P228-H230 PolarHBondContact O-N 2.95Å; H230-D234 CarbonylContact O-C 3.55Å; H230-D234 PolarHBondContact O-N 2.91Å; H230-C235 WeakPolarHBondContact NE2-CB 3.2Å; H230-C235 WeakPolarHBondContact O-CB 3.03Å; H230-C235 PolarHBondContact O-N 2.88Å
231	Y	89.7	Confident	92.1	Very high	70 Å²	70	65.6 Å²	65.6	28%	0.275	35%	0.345	S	S	.	.	I	π-helix	trans	-61.1	-45.7	176.3	-68.7	-25.5	0	0	0	112.4	Y217 M227 P228 N229 R255	Y217-Y231 AromaticContact CD2-CD1 3.92Å; Y217-Y231 HydrophobicContact CD2-CD1 3.92Å; Y217-Y231 AromaticContact CD2-CE1 3.52Å; Y217-Y231 HydrophobicContact CD2-CE1 3.52Å; Y217-Y231 HydrophobicContact CE2-CD1 4.03Å; Y217-Y231 AromaticContact CE2-CE1 3.62Å; Y217-Y231 HydrophobicContact CE2-CE1 3.62Å; Y217-Y231 AromaticContact CE2-CZ 3.92Å; M227-Y231 HydrophobicContact CE-CD1 4.09Å; M227-Y231 HydrophobicContact CE-CE1 3.23Å; M227-Y231 HydrophobicContact CE-CE2 3.98Å; M227-Y231 WeakPolarHBondContact CE-OH 3.11Å; M227-Y231 PolarHBondContact O-N 3.5Å; P228-Y231 PolarHBondContact O-N 3.37Å; N229-Y231 PolarHBondContact O-N 2.9Å; Y231-R255 PolarHBondContact O-NH2 3.17Å
232	D	85.6	Confident	92.1	Very high	115 Å²	115	60.4 Å²	60.4	62%	0.615	32%	0.318	S	S	*	.	I	π-helix	trans	-77	-33	-172.9	-71.3	-19.6	0	0	0	113.7	P228 N229 R255	P228-D232 PolarHBondContact O-N 3.5Å; P228-D232 VanDerWaalsContact O-N 3.11Å; N229-D232 PolarHBondContact O-N 3.04Å; D232-R255 PolarHBondContact O-NH2 3.22Å
233	L	85.4	Confident	92	Very high	112 Å²	112	62.8 Å²	62.8	59%	0.586	34%	0.335	S	S	*	.	I	π-helix	trans	-118.2	-38.1	-169.3	-56.5	-179.9	0	0	0	114.1	N229 R255	N229-L233 WeakPolarHBondContact O-CB 3.36Å; N229-L233 PolarHBondContact O-N 2.85Å; L233-R255 VanDerWaalsContact C-CZ 3.41Å; L233-R255 PolarHBondContact O-NE 3.44Å; L233-R255 PolarHBondContact O-NH1 3.5Å
234	D	88.9	Confident	91.9	Very high	106 Å²	106	62.6 Å²	62.6	57%	0.567	33%	0.332	S	S	*	.	I	π-helix	trans	-113.9	-27.7	-161.8	-55.5	-45.1	0	0	0	114.4	H230 P236	H230-D234 CarbonylContact O-C 3.55Å; H230-D234 PolarHBondContact O-N 2.91Å; D234-P236 WeakPolarHBondContact O-CD 3.39Å
235	C	93.4	Very high	91.8	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.332	C	S	.	.			trans	-69.5	121.8	-170	-173.3	0	0	0	0	110.5	H230 T237 A238 R255	H230-C235 WeakPolarHBondContact NE2-CB 3.2Å; H230-C235 WeakPolarHBondContact O-CB 3.03Å; H230-C235 PolarHBondContact O-N 2.88Å; C235-T237 VanDerWaalsContact C-N 3.29Å; C235-T237 PolarHBondContact O-N 2.82Å; C235-A238 HydrophobicContact CB-CB 3.59Å; C235-A238 VanDerWaalsContact SG-CB 3.57Å; C235-A238 PolarHBondContact SG-N 2.95Å; C235-R255 WeakPolarHBondContact O-CB 3.46Å; C235-R255 PolarHBondContact O-NE 3.29Å
236	P	91	Very high	91.5	Very high	58 Å²	58	60 Å²	60	38%	0.377	34%	0.338	S	S	.	.	S	Bend	trans	-71.5	-26.9	-176.9	26.9	-33.7	0	0	0	112.6	C218 D234 R255 N256	C218-P236 HydrophobicContact CB-CG 4.18Å; D234-P236 WeakPolarHBondContact O-CD 3.39Å; P236-R255 PolarHBondContact O-N 3.29Å; P236-R255 VanDerWaalsContact O-N 3.1Å; P236-N256 PolarHBondContact O-N 3.43Å
237	T	92.6	Very high	91.3	Very high	34 Å²	34	59.6 Å²	59.6	21%	0.209	34%	0.335	C	S	.	.	S	Bend	trans	-112.9	-9	-170.9	50.4	0	0	0	0	113.7	Y217 C218 C235 Q254	Y217-T237 VanDerWaalsContact CB-OG1 3.32Å; Y217-T237 WeakPolarHBondContact CB-OG1 3.47Å; Y217-T237 WeakPolarHBondContact O-CB 3.25Å; Y217-T237 PolarHBondContact O-OG1 3.42Å; C218-T237 WeakPolarHBondContact CB-OG1 3.4Å; C218-T237 PolarHBondContact N-OG1 3.4Å; C235-T237 VanDerWaalsContact C-N 3.29Å; C235-T237 PolarHBondContact O-N 2.82Å; T237-Q254 WeakPolarHBondContact O-CG 3.18Å
238	A	91.9	Very high	91.1	Very high	4 Å²	4	60.4 Å²	60.4	3%	0.033	35%	0.347	C	S	.	.	S	Bend	trans	-63.6	137.1	171.8	0	0	0	0	0	109.9	Y217 C235 I240	Y217-A238 HydrophobicContact CD2-CB 3.86Å; Y217-A238 HydrophobicContact CE2-CB 4.34Å; Y217-A238 HydrophobicContact CG-CB 4.11Å; C235-A238 HydrophobicContact CB-CB 3.59Å; C235-A238 VanDerWaalsContact SG-CB 3.57Å; C235-A238 PolarHBondContact SG-N 2.95Å; A238-I240 PolarHBondContact O-N 2.9Å
239	P	93.5	Very high	91.3	Very high	71 Å²	71	57.3 Å²	57.3	46%	0.461	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	113	179	26.3	-31	0	0	0	111.2	Y217 M253	Y217-P239 HydrophobicContact CE1-CG 4.27Å; P239-M253 CarbonylContact C-O 3.57Å; P239-M253 WeakPolarHBondContact CA-O 3.36Å
240	I	92.1	Very high	91.4	Very high	21 Å²	21	60.6 Å²	60.6	11%	0.108	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	147.3	176.4	62.3	168.6	0	0	0	111.4	A238 K252 M253 R255 L258	A238-I240 PolarHBondContact O-N 2.9Å; I240-K252 VanDerWaalsContact O-CA 3.3Å; I240-K252 WeakPolarHBondContact O-CA 3.42Å; I240-M253 WeakPolarHBondContact CG1-O 3.46Å; I240-M253 PolarHBondContact N-O 3.31Å; I240-M253 PolarHBondContact O-N 3.4Å; I240-R255 HydrophobicContact CD1-CB 3.89Å; I240-R255 HydrophobicContact CD1-CG 3.95Å; I240-R255 HydrophobicContact CG1-CB 4.42Å; I240-L258 HydrophobicContact CD1-CB 4.43Å; I240-L258 HydrophobicContact CD1-CD2 3.94Å
241	P	92.9	Very high	91.5	Very high	70 Å²	70	65.3 Å²	65.3	46%	0.455	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	151.5	173.6	30.3	-34.4	0	0	0	111.6
242	C	94.6	Very high	91.7	Very high	1 Å²	1	69.1 Å²	69.1	1%	0.007	38%	0.379	C	S	.	.			trans	-58.2	143.5	169.9	-178.8	0	0	0	0	111.2	F244 S245 C249 E251 M253 H261	C242-F244 PolarHBondContact O-N 2.86Å; C242-F244 VanDerWaalsContact O-N 3.15Å; C242-F244 PolarHBondContact SG-N 2.85Å; C242-F244 VanDerWaalsContact SG-N 3.36Å; C242-S245 WeakPolarHBondContact O-CB 3.41Å; C242-S245 PolarHBondContact O-N 3.34Å; C242-S245 PolarHBondContact O-OG 3.05Å; C242-C249 HydrophobicContact CB-CB 4.05Å; C242-C249 VanDerWaalsContact CB-SG 3.59Å; C242-C249 VanDerWaalsContact SG-SG 3.6Å; C242-E251 PolarHBondContact N-O 3.32Å; C242-M253 HydrophobicContact CB-CE 4.21Å; C242-H261 PolarHBondContact SG-NE2 2.94Å
243	T	91.7	Very high	92.1	Very high	84 Å²	84	64.7 Å²	64.7	52%	0.515	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.3	174.8	53.9	0	0	0	0	112.9	L258	T243-L258 HydrophobicContact CG2-CD2 4.35Å
244	F	93.1	Very high	92.5	Very high	41 Å²	41	62.9 Å²	62.9	18%	0.18	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	12	172.9	-72.6	-93.4	0	0	0	114	C242 T246 F247 G248 C249 L262 H269 M270	C242-F244 PolarHBondContact O-N 2.86Å; C242-F244 VanDerWaalsContact O-N 3.15Å; C242-F244 PolarHBondContact SG-N 2.85Å; C242-F244 VanDerWaalsContact SG-N 3.36Å; F244-T246 PolarHBondContact O-N 3.47Å; F244-F247 HydrophobicContact CB-CD2 4.4Å; F244-F247 AromaticContact CD1-CD2 3.66Å; F244-F247 HydrophobicContact CD1-CD2 3.66Å; F244-F247 HydrophobicContact CD1-CE2 4.27Å; F244-F247 HydrophobicContact CD1-CG 4.4Å; F244-F247 HydrophobicContact CE1-CD2 4.37Å; F244-F247 HydrophobicContact CG-CD2 4.38Å; F244-F247 CarbonylContact O-C 3.58Å; F244-F247 WeakPolarHBondContact O-CA 3.45Å; F244-F247 PolarHBondContact O-N 2.68Å; F244-G248 PolarHBondContact O-N 2.84Å; F244-C249 HydrophobicContact CB-CB 3.77Å; F244-C249 WeakPolarHBondContact O-CB 3.42Å; F244-C249 PolarHBondContact O-N 2.76Å; F244-L262 HydrophobicContact CD2-CD2 3.89Å; F244-L262 HydrophobicContact CE2-CD2 4.01Å; F244-H269 VanDerWaalsContact CB-CD2 3.46Å; F244-H269 WeakPolarHBondContact CB-CD2 3.46Å; F244-H269 HydrophobicContact CD1-CB 3.78Å; F244-H269 HydrophobicContact CD2-CB 3.93Å; F244-H269 AromaticContact CD2-CD2 3.67Å; F244-H269 AromaticContact CD2-CE1 3.98Å; F244-H269 AromaticContact CD2-CG 3.51Å; F244-H269 AromaticContact CD2-ND1 3.71Å; F244-H269 AromaticContact CD2-NE2 3.98Å; F244-H269 HydrophobicContact CE1-CB 3.75Å; F244-H269 HydrophobicContact CE2-CB 3.89Å; F244-H269 AromaticContact CE2-CG 3.86Å; F244-H269 AromaticContact CE2-ND1 3.95Å; F244-H269 HydrophobicContact CG-CB 3.88Å; F244-H269 AromaticContact CG-CD2 3.48Å; F244-H269 VanDerWaalsContact CG-CD2 3.48Å; F244-H269 WeakPolarHBondContact CG-CD2 3.35Å; F244-H269 AromaticContact CG-CG 3.64Å; F244-H269 HydrophobicContact CZ-CB 3.8Å; F244-M270 HydrophobicContact CE1-CE 4.21Å; F244-M270 HydrophobicContact CZ-CE 3.95Å
245	S	92.9	Very high	92.6	Very high	48 Å²	48	61.1 Å²	61.1	34%	0.336	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-59.4	-33.2	179.3	54.6	0	0	0	0	113.8	C242 F247 G248 C249	C242-S245 WeakPolarHBondContact O-CB 3.41Å; C242-S245 PolarHBondContact O-N 3.34Å; C242-S245 PolarHBondContact O-OG 3.05Å; S245-F247 PolarHBondContact O-N 2.77Å; S245-G248 PolarHBondContact O-N 2.95Å; S245-G248 VanDerWaalsContact O-N 3.12Å; S245-C249 WeakPolarHBondContact CA-O 3.48Å; S245-C249 WeakPolarHBondContact CB-O 3.46Å
246	T	88.5	Confident	92.5	Very high	121 Å²	121	65.3 Å²	65.3	74%	0.742	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-65.4	-24.3	172.7	51.7	0	0	0	0	113.5	F244	F244-T246 PolarHBondContact O-N 3.47Å
247	F	89.5	Confident	92.6	Very high	88 Å²	88	65.7 Å²	65.7	39%	0.386	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-95.1	0.9	175.7	-57	-75.9	0	0	0	112.9	F244 S245 M272 L273 A276	F244-F247 HydrophobicContact CB-CD2 4.4Å; F244-F247 AromaticContact CD1-CD2 3.66Å; F244-F247 HydrophobicContact CD1-CD2 3.66Å; F244-F247 HydrophobicContact CD1-CE2 4.27Å; F244-F247 HydrophobicContact CD1-CG 4.4Å; F244-F247 HydrophobicContact CE1-CD2 4.37Å; F244-F247 HydrophobicContact CG-CD2 4.38Å; F244-F247 CarbonylContact O-C 3.58Å; F244-F247 WeakPolarHBondContact O-CA 3.45Å; F244-F247 PolarHBondContact O-N 2.68Å; S245-F247 PolarHBondContact O-N 2.77Å; F247-M272 HydrophobicContact CB-CB 4.03Å; F247-L273 HydrophobicContact CD1-CD1 4.32Å; F247-L273 HydrophobicContact CE1-CD1 3.76Å; F247-L273 HydrophobicContact CE2-CD1 4.44Å; F247-L273 HydrophobicContact CZ-CD1 3.83Å; F247-A276 HydrophobicContact CD1-CB 4.06Å; F247-A276 HydrophobicContact CE1-CB 4.38Å
248	G	89.8	Confident	92.6	Very high	34 Å²	34	65.5 Å²	65.5	35%	0.351	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	111.7	5.7	177.2	0	0	0	0	0	115.9	F244 S245 H250	F244-G248 PolarHBondContact O-N 2.84Å; S245-G248 PolarHBondContact O-N 2.95Å; S245-G248 VanDerWaalsContact O-N 3.12Å; G248-H250 PolarHBondContact O-CD2 3.18Å; G248-H250 PolarHBondContact O-N 2.72Å
249	C	95.3	Very high	92.6	Very high	10 Å²	10	68.8 Å²	68.8	7%	0.068	37%	0.373	C	S	.	.			trans	-80	97.1	174.3	-168.2	0	0	0	0	111.5	C242 F244 S245 E251 H269 M272	C242-C249 HydrophobicContact CB-CB 4.05Å; C242-C249 VanDerWaalsContact CB-SG 3.59Å; C242-C249 VanDerWaalsContact SG-SG 3.6Å; F244-C249 HydrophobicContact CB-CB 3.77Å; F244-C249 WeakPolarHBondContact O-CB 3.42Å; F244-C249 PolarHBondContact O-N 2.76Å; S245-C249 WeakPolarHBondContact CA-O 3.48Å; S245-C249 WeakPolarHBondContact CB-O 3.46Å; C249-E251 PolarHBondContact O-N 3.29Å; C249-H269 PolarHBondContact SG-NE2 2.89Å; C249-M272 HydrophobicContact CB-CE 4.16Å; C249-M272 HydrophobicContact CB-SD 4.47Å
250	H	93.2	Very high	92.6	Very high	169 Å²	169	71.3 Å²	71.3	78%	0.782	37%	0.373	S	S	*	.			trans	-79.4	3.4	-178.3	-60.3	-62	0	0	0	114.8	G248	G248-H250 PolarHBondContact O-CD2 3.18Å; G248-H250 PolarHBondContact O-N 2.72Å
251	E	95.3	Very high	92.8	Very high	115 Å²	115	71.2 Å²	71.2	54%	0.537	37%	0.372	S	S	.	.			trans	-66.5	132.7	-178.5	-70.7	-65.4	157	0	0	111.8	C242 C249 M253	C242-E251 PolarHBondContact N-O 3.32Å; C249-E251 PolarHBondContact O-N 3.29Å; E251-M253 HydrophobicContact CB-CE 3.77Å
252	K	94.4	Very high	92.9	Very high	150 Å²	150	70.2 Å²	70.2	65%	0.652	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	138.7	168.2	-67.3	-171.3	179.4	-173.6	0	109.1	I240	I240-K252 VanDerWaalsContact O-CA 3.3Å; I240-K252 WeakPolarHBondContact O-CA 3.42Å
253	M	93.5	Very high	92.8	Very high	22 Å²	22	77.6 Å²	77.6	11%	0.108	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	163.6	-177.4	64.8	-151.1	67.1	0	0	111	P239 I240 C242 E251 H257 L258 H261	P239-M253 CarbonylContact C-O 3.57Å; P239-M253 WeakPolarHBondContact CA-O 3.36Å; I240-M253 WeakPolarHBondContact CG1-O 3.46Å; I240-M253 PolarHBondContact N-O 3.31Å; I240-M253 PolarHBondContact O-N 3.4Å; C242-M253 HydrophobicContact CB-CE 4.21Å; E251-M253 HydrophobicContact CB-CE 3.77Å; M253-H257 HydrophobicContact CB-CB 4.31Å; M253-L258 HydrophobicContact SD-CB 4.33Å; M253-L258 HydrophobicContact SD-CD1 3.89Å; M253-H261 HydrophobicContact CE-CB 3.89Å; M253-H261 VanDerWaalsContact CE-CD2 3.45Å; M253-H261 WeakPolarHBondContact CE-CD2 3.47Å; M253-H261 HydrophobicContact SD-CB 3.25Å; M253-H261 WeakPolarHBondContact SD-CB 3.34Å
254	Q	94.2	Very high	92.8	Very high	73 Å²	73	80.2 Å²	80.2	34%	0.341	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	144.7	168.2	-61.2	-173.4	5.1	0	0	110	T237 N256 H257 L258	T237-Q254 WeakPolarHBondContact O-CG 3.18Å; Q254-N256 WeakPolarHBondContact CB-OD1 3.4Å; Q254-N256 PolarHBondContact O-N 3.1Å; Q254-N256 PolarHBondContact OE1-OD1 3.36Å; Q254-H257 WeakPolarHBondContact O-CA 3.48Å; Q254-H257 WeakPolarHBondContact O-CB 3.34Å; Q254-H257 PolarHBondContact O-N 3.45Å; Q254-L258 PolarHBondContact O-N 2.82Å
255	R	90.6	Very high	92.8	Very high	69 Å²	69	81 Å²	81	26%	0.26	41%	0.409	S	S	.	.	H	α-helix	trans	-54.8	-40.5	-178.9	-174.9	-178.9	-56.1	-85.6	-8.5	112.8	Y231 D232 L233 C235 P236 I240 H257 L258	Y231-R255 PolarHBondContact O-NH2 3.17Å; D232-R255 PolarHBondContact O-NH2 3.22Å; L233-R255 VanDerWaalsContact C-CZ 3.41Å; L233-R255 PolarHBondContact O-NE 3.44Å; L233-R255 PolarHBondContact O-NH1 3.5Å; C235-R255 WeakPolarHBondContact O-CB 3.46Å; C235-R255 PolarHBondContact O-NE 3.29Å; P236-R255 PolarHBondContact O-N 3.29Å; P236-R255 VanDerWaalsContact O-N 3.1Å; I240-R255 HydrophobicContact CD1-CB 3.89Å; I240-R255 HydrophobicContact CD1-CG 3.95Å; I240-R255 HydrophobicContact CG1-CB 4.42Å; R255-H257 PolarHBondContact O-N 3.25Å; R255-L258 WeakPolarHBondContact O-CB 3.32Å; R255-L258 PolarHBondContact O-N 3.24Å; R255-L258 VanDerWaalsContact O-N 3.13Å
256	N	91	Very high	92.7	Very high	89 Å²	89	81.9 Å²	81.9	48%	0.476	41%	0.413	S	S	.	.	H	α-helix	trans	-62.9	-18.4	175.6	65.4	-5.4	0	0	0	114.2	P236 Q254	P236-N256 PolarHBondContact O-N 3.43Å; Q254-N256 WeakPolarHBondContact CB-OD1 3.4Å; Q254-N256 PolarHBondContact O-N 3.1Å; Q254-N256 PolarHBondContact OE1-OD1 3.36Å
257	H	93.9	Very high	92.7	Very high	65 Å²	65	82.7 Å²	82.7	30%	0.301	41%	0.409	S	S	.	.	H	α-helix	trans	-95.2	-10.5	177.4	-65.9	167.1	0	0	0	113.3	M253 Q254 R255 A259 R260 H261	M253-H257 HydrophobicContact CB-CB 4.31Å; Q254-H257 WeakPolarHBondContact O-CA 3.48Å; Q254-H257 WeakPolarHBondContact O-CB 3.34Å; Q254-H257 PolarHBondContact O-N 3.45Å; R255-H257 PolarHBondContact O-N 3.25Å; H257-A259 VanDerWaalsContact C-N 3.34Å; H257-A259 PolarHBondContact O-N 3.27Å; H257-R260 PolarHBondContact CD2-NH2 3.36Å; H257-R260 PolarHBondContact CE1-NH2 2.88Å; H257-R260 PolarHBondContact ND1-NH2 3.15Å; H257-R260 PolarHBondContact NE2-NH2 2.95Å; H257-R260 VanDerWaalsContact NE2-NH2 3.17Å; H257-R260 PolarHBondContact O-N 3.36Å; H257-H261 PolarHBondContact O-N 3.03Å
258	L	92	Very high	92.8	Very high	31 Å²	31	80.5 Å²	80.5	16%	0.162	40%	0.404	C	S	.	.	H	α-helix	trans	-57.3	-45.7	-177.6	-179.2	63.1	0	0	0	112.2	I240 T243 M253 Q254 R255 R260 H261 L262	I240-L258 HydrophobicContact CD1-CB 4.43Å; I240-L258 HydrophobicContact CD1-CD2 3.94Å; T243-L258 HydrophobicContact CG2-CD2 4.35Å; M253-L258 HydrophobicContact SD-CB 4.33Å; M253-L258 HydrophobicContact SD-CD1 3.89Å; Q254-L258 PolarHBondContact O-N 2.82Å; R255-L258 WeakPolarHBondContact O-CB 3.32Å; R255-L258 PolarHBondContact O-N 3.24Å; R255-L258 VanDerWaalsContact O-N 3.13Å; L258-R260 PolarHBondContact O-N 2.72Å; L258-H261 PolarHBondContact O-N 3.24Å; L258-L262 HydrophobicContact CD1-CD1 4.14Å; L258-L262 HydrophobicContact CD1-CD2 4.39Å; L258-L262 HydrophobicContact CD1-CG 4.02Å; L258-L262 HydrophobicContact CG-CD1 4Å; L258-L262 HydrophobicContact CG-CG 4.28Å; L258-L262 VanDerWaalsContact O-CG 3.3Å; L258-L262 WeakPolarHBondContact O-CG 3.39Å; L258-L262 PolarHBondContact O-N 3.28Å
259	A	92	Very high	93	Very high	73 Å²	73	79 Å²	79	60%	0.603	39%	0.388	S	S	*	.	H	α-helix	trans	-59.6	-45.8	179.9	0	0	0	0	0	112.2	H257 L262 Q263	H257-A259 VanDerWaalsContact C-N 3.34Å; H257-A259 PolarHBondContact O-N 3.27Å; A259-L262 PolarHBondContact O-N 2.71Å; A259-Q263 WeakPolarHBondContact O-CB 3.45Å; A259-Q263 PolarHBondContact O-N 3.03Å; A259-Q263 VanDerWaalsContact O-N 3.08Å
260	R	94.3	Very high	92.7	Very high	123 Å²	123	82.8 Å²	82.8	46%	0.464	41%	0.406	S	S	.	.	H	α-helix	trans	-62.3	-47.2	176.9	179.6	175.9	63.7	-145.3	-5.1	111.2	H257 L258 L262 Q263 E264	H257-R260 PolarHBondContact CD2-NH2 3.36Å; H257-R260 PolarHBondContact CE1-NH2 2.88Å; H257-R260 PolarHBondContact ND1-NH2 3.15Å; H257-R260 PolarHBondContact NE2-NH2 2.95Å; H257-R260 VanDerWaalsContact NE2-NH2 3.17Å; H257-R260 PolarHBondContact O-N 3.36Å; L258-R260 PolarHBondContact O-N 2.72Å; R260-L262 PolarHBondContact O-N 3.05Å; R260-Q263 PolarHBondContact O-N 3.02Å; R260-E264 WeakPolarHBondContact CD-OE1 3.27Å; R260-E264 HydrophobicContact CG-CG 4.28Å; R260-E264 VanDerWaalsContact CG-OE1 3.23Å; R260-E264 WeakPolarHBondContact CG-OE1 3.35Å; R260-E264 WeakPolarHBondContact O-CB 3.45Å; R260-E264 WeakPolarHBondContact O-CG 3.11Å; R260-E264 PolarHBondContact O-N 3.48Å
261	H	95.8	Very high	92.5	Very high	19 Å²	19	81.7 Å²	81.7	9%	0.088	40%	0.395	C	S	.	.	H	α-helix	trans	-59.2	-46.8	177.7	167	83.3	0	0	0	112.2	C242 M253 H257 L258 Q263 E264 N265 H269	C242-H261 PolarHBondContact SG-NE2 2.94Å; M253-H261 HydrophobicContact CE-CB 3.89Å; M253-H261 VanDerWaalsContact CE-CD2 3.45Å; M253-H261 WeakPolarHBondContact CE-CD2 3.47Å; M253-H261 HydrophobicContact SD-CB 3.25Å; M253-H261 WeakPolarHBondContact SD-CB 3.34Å; H257-H261 PolarHBondContact O-N 3.03Å; L258-H261 PolarHBondContact O-N 3.24Å; H261-Q263 VanDerWaalsContact C-N 3.28Å; H261-Q263 PolarHBondContact O-N 3.31Å; H261-E264 PolarHBondContact O-N 3.03Å; H261-N265 PolarHBondContact ND1-ND2 2.89Å; H261-N265 VanDerWaalsContact ND1-ND2 3.13Å; H261-N265 VanDerWaalsContact O-CB 3.27Å; H261-N265 WeakPolarHBondContact O-CB 3.43Å; H261-N265 PolarHBondContact O-N 2.8Å; H261-N265 PolarHBondContact O-ND2 2.88Å; H261-H269 AromaticContact CD2-CE1 3.79Å; H261-H269 AromaticContact NE2-CE1 3.27Å; H261-H269 PolarHBondContact NE2-CE1 3.02Å; H261-H269 VanDerWaalsContact NE2-CE1 3.27Å; H261-H269 AromaticContact NE2-NE2 3.36Å; H261-H269 PolarHBondContact NE2-NE2 2.92Å
262	L	94.5	Very high	92.2	Very high	50 Å²	50	77.9 Å²	77.9	26%	0.262	38%	0.377	S	S	.	.	H	α-helix	trans	-60.8	-39.5	179.3	-69.6	178.5	0	0	0	111.5	F244 L258 A259 R260 T266	F244-L262 HydrophobicContact CD2-CD2 3.89Å; F244-L262 HydrophobicContact CE2-CD2 4.01Å; L258-L262 HydrophobicContact CD1-CD1 4.14Å; L258-L262 HydrophobicContact CD1-CD2 4.39Å; L258-L262 HydrophobicContact CD1-CG 4.02Å; L258-L262 HydrophobicContact CG-CD1 4Å; L258-L262 HydrophobicContact CG-CG 4.28Å; L258-L262 VanDerWaalsContact O-CG 3.3Å; L258-L262 WeakPolarHBondContact O-CG 3.39Å; L258-L262 PolarHBondContact O-N 3.28Å; A259-L262 PolarHBondContact O-N 2.71Å; R260-L262 PolarHBondContact O-N 3.05Å; L262-T266 PolarHBondContact O-N 2.94Å; L262-T266 PolarHBondContact O-OG1 2.68Å
263	Q	92.3	Very high	91.9	Very high	156 Å²	156	73.6 Å²	73.6	73%	0.729	36%	0.361	S	S	*	.	H	α-helix	trans	-67.3	-47.4	176.4	-171.8	176.1	4.9	0	0	112.3	A259 R260 H261 N265 T266	A259-Q263 WeakPolarHBondContact O-CB 3.45Å; A259-Q263 PolarHBondContact O-N 3.03Å; A259-Q263 VanDerWaalsContact O-N 3.08Å; R260-Q263 PolarHBondContact O-N 3.02Å; H261-Q263 VanDerWaalsContact C-N 3.28Å; H261-Q263 PolarHBondContact O-N 3.31Å; Q263-N265 PolarHBondContact O-N 2.9Å; Q263-T266 PolarHBondContact O-OG1 3.44Å; Q263-T266 VanDerWaalsContact O-OG1 3.13Å
264	E	92.6	Very high	91.4	Very high	138 Å²	138	75.3 Å²	75.3	65%	0.645	38%	0.379	S	S	*	.	H	α-helix	trans	-71	-30.6	-178.2	-71	172.2	176.9	0	0	112.8	R260 H261	R260-E264 WeakPolarHBondContact CD-OE1 3.27Å; R260-E264 HydrophobicContact CG-CG 4.28Å; R260-E264 VanDerWaalsContact CG-OE1 3.23Å; R260-E264 WeakPolarHBondContact CG-OE1 3.35Å; R260-E264 WeakPolarHBondContact O-CB 3.45Å; R260-E264 WeakPolarHBondContact O-CG 3.11Å; R260-E264 PolarHBondContact O-N 3.48Å; H261-E264 PolarHBondContact O-N 3.03Å
265	N	94	Very high	90.9	Very high	57 Å²	57	78.3 Å²	78.3	31%	0.305	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	12.6	-175.2	-64.8	-86.5	0	0	0	113.5	H261 Q263 Q267 S268 H269	H261-N265 PolarHBondContact ND1-ND2 2.89Å; H261-N265 VanDerWaalsContact ND1-ND2 3.13Å; H261-N265 VanDerWaalsContact O-CB 3.27Å; H261-N265 WeakPolarHBondContact O-CB 3.43Å; H261-N265 PolarHBondContact O-N 2.8Å; H261-N265 PolarHBondContact O-ND2 2.88Å; Q263-N265 PolarHBondContact O-N 2.9Å; N265-Q267 PolarHBondContact O-N 3.3Å; N265-Q267 VanDerWaalsContact O-N 3.12Å; N265-S268 PolarHBondContact O-N 3.45Å; N265-S268 PolarHBondContact O-OG 2.99Å; N265-S268 VanDerWaalsContact O-OG 3.07Å; N265-H269 PolarHBondContact O-N 3.41Å; N265-H269 PolarHBondContact O-ND1 2.85Å
266	T	90.7	Very high	90.5	Very high	68 Å²	68	76.4 Å²	76.4	42%	0.417	39%	0.392	S	S	.	.	H	α-helix	trans	-50.9	-42.5	-177.7	-62.5	0	0	0	0	112.3	L262 Q263 S268 H269 M270	L262-T266 PolarHBondContact O-N 2.94Å; L262-T266 PolarHBondContact O-OG1 2.68Å; Q263-T266 PolarHBondContact O-OG1 3.44Å; Q263-T266 VanDerWaalsContact O-OG1 3.13Å; T266-S268 PolarHBondContact O-N 3.26Å; T266-H269 PolarHBondContact O-N 2.96Å; T266-M270 HydrophobicContact CG2-CG 4.2Å; T266-M270 WeakPolarHBondContact O-CB 3.28Å; T266-M270 VanDerWaalsContact O-CG 3.25Å; T266-M270 WeakPolarHBondContact O-CG 3.38Å; T266-M270 PolarHBondContact O-N 3.03Å
267	Q	88.9	Confident	90	Very high	138 Å²	138	76 Å²	76	65%	0.645	39%	0.392	S	S	*	.	H	α-helix	trans	-66.4	-36.6	-179.6	-64.2	-174.4	17.2	0	0	113.8	N265 R271	N265-Q267 PolarHBondContact O-N 3.3Å; N265-Q267 VanDerWaalsContact O-N 3.12Å; Q267-R271 WeakPolarHBondContact O-CG 3.44Å; Q267-R271 PolarHBondContact O-N 2.86Å; Q267-R271 PolarHBondContact O-NH1 2.93Å
268	S	90.4	Very high	89.1	Confident	41 Å²	41	78.5 Å²	78.5	29%	0.287	40%	0.404	S	S	.	.	H	α-helix	trans	-71.8	-40.4	177.3	77.8	0	0	0	0	110.4	N265 T266 R271 M272	N265-S268 PolarHBondContact O-N 3.45Å; N265-S268 PolarHBondContact O-OG 2.99Å; N265-S268 VanDerWaalsContact O-OG 3.07Å; T266-S268 PolarHBondContact O-N 3.26Å; S268-R271 CarbonylContact O-C 3.56Å; S268-R271 WeakPolarHBondContact O-CA 3.48Å; S268-R271 PolarHBondContact O-N 3.13Å; S268-R271 VanDerWaalsContact O-N 3.13Å; S268-M272 WeakPolarHBondContact O-CE 3.46Å; S268-M272 PolarHBondContact O-N 3.25Å
269	H	94.2	Very high	88.1	Confident	2 Å²	2	80.6 Å²	80.6	1%	0.009	42%	0.421	C	S	.	.	H	α-helix	trans	-59.6	-45.8	174	-64.9	148.4	0	0	0	112.3	F244 C249 H261 N265 T266 R271 M272 L273	F244-H269 VanDerWaalsContact CB-CD2 3.46Å; F244-H269 WeakPolarHBondContact CB-CD2 3.46Å; F244-H269 HydrophobicContact CD1-CB 3.78Å; F244-H269 HydrophobicContact CD2-CB 3.93Å; F244-H269 AromaticContact CD2-CD2 3.67Å; F244-H269 AromaticContact CD2-CE1 3.98Å; F244-H269 AromaticContact CD2-CG 3.51Å; F244-H269 AromaticContact CD2-ND1 3.71Å; F244-H269 AromaticContact CD2-NE2 3.98Å; F244-H269 HydrophobicContact CE1-CB 3.75Å; F244-H269 HydrophobicContact CE2-CB 3.89Å; F244-H269 AromaticContact CE2-CG 3.86Å; F244-H269 AromaticContact CE2-ND1 3.95Å; F244-H269 HydrophobicContact CG-CB 3.88Å; F244-H269 AromaticContact CG-CD2 3.48Å; F244-H269 VanDerWaalsContact CG-CD2 3.48Å; F244-H269 WeakPolarHBondContact CG-CD2 3.35Å; F244-H269 AromaticContact CG-CG 3.64Å; F244-H269 HydrophobicContact CZ-CB 3.8Å; C249-H269 PolarHBondContact SG-NE2 2.89Å; H261-H269 AromaticContact CD2-CE1 3.79Å; H261-H269 AromaticContact NE2-CE1 3.27Å; H261-H269 PolarHBondContact NE2-CE1 3.02Å; H261-H269 VanDerWaalsContact NE2-CE1 3.27Å; H261-H269 AromaticContact NE2-NE2 3.36Å; H261-H269 PolarHBondContact NE2-NE2 2.92Å; N265-H269 PolarHBondContact O-N 3.41Å; N265-H269 PolarHBondContact O-ND1 2.85Å; T266-H269 PolarHBondContact O-N 2.96Å; H269-R271 VanDerWaalsContact C-N 3.33Å; H269-R271 PolarHBondContact O-N 3.06Å; H269-M272 PolarHBondContact O-N 3.43Å; H269-L273 WeakPolarHBondContact O-CB 3.31Å; H269-L273 PolarHBondContact O-N 3.47Å
270	M	89.4	Confident	86.9	Confident	91 Å²	91	83 Å²	83	45%	0.448	42%	0.424	S	S	.	.	H	α-helix	trans	-66.2	-36	173.8	-64.5	-55.8	105	0	0	111.9	F244 T266 L273 A274	F244-M270 HydrophobicContact CE1-CE 4.21Å; F244-M270 HydrophobicContact CZ-CE 3.95Å; T266-M270 HydrophobicContact CG2-CG 4.2Å; T266-M270 WeakPolarHBondContact O-CB 3.28Å; T266-M270 VanDerWaalsContact O-CG 3.25Å; T266-M270 WeakPolarHBondContact O-CG 3.38Å; T266-M270 PolarHBondContact O-N 3.03Å; M270-L273 HydrophobicContact CE-CD2 4.38Å; M270-L273 HydrophobicContact SD-CD2 4.41Å; M270-A274 VanDerWaalsContact O-CB 3.25Å; M270-A274 WeakPolarHBondContact O-CB 2.9Å; M270-A274 PolarHBondContact O-N 3.05Å
271	R	88.4	Confident	85.3	Confident	146 Å²	146	81.1 Å²	81.1	55%	0.551	43%	0.429	S	S	*	.	H	α-helix	trans	-38.4	-68.4	161.7	60.5	80	170.1	112.7	10.6	112.8	Q267 S268 H269 A274 Q275	Q267-R271 WeakPolarHBondContact O-CG 3.44Å; Q267-R271 PolarHBondContact O-N 2.86Å; Q267-R271 PolarHBondContact O-NH1 2.93Å; S268-R271 CarbonylContact O-C 3.56Å; S268-R271 WeakPolarHBondContact O-CA 3.48Å; S268-R271 PolarHBondContact O-N 3.13Å; S268-R271 VanDerWaalsContact O-N 3.13Å; H269-R271 VanDerWaalsContact C-N 3.33Å; H269-R271 PolarHBondContact O-N 3.06Å; R271-A274 PolarHBondContact O-N 3.14Å; R271-Q275 WeakPolarHBondContact O-CG 3.22Å; R271-Q275 PolarHBondContact O-N 3.22Å
272	M	89.8	Confident	83.2	Confident	35 Å²	35	85.7 Å²	85.7	17%	0.172	45%	0.453	C	S	.	.	H	α-helix	trans	-64.1	-42.4	-175.2	-69.6	178.9	-92.8	0	0	111.7	F247 C249 S268 H269 A274 Q275 A276	F247-M272 HydrophobicContact CB-CB 4.03Å; C249-M272 HydrophobicContact CB-CE 4.16Å; C249-M272 HydrophobicContact CB-SD 4.47Å; S268-M272 WeakPolarHBondContact O-CE 3.46Å; S268-M272 PolarHBondContact O-N 3.25Å; H269-M272 PolarHBondContact O-N 3.43Å; M272-A274 PolarHBondContact O-N 3.07Å; M272-Q275 PolarHBondContact O-N 3.47Å; M272-A276 PolarHBondContact O-N 3.05Å
273	L	88.1	Confident	81.1	Confident	60 Å²	60	88.6 Å²	88.6	31%	0.314	47%	0.468	S	S	.	.	H	α-helix	trans	-62	-45.1	177.1	-174.5	65.3	0	0	0	111.6	F247 H269 M270 Q275 A276 V277	F247-L273 HydrophobicContact CD1-CD1 4.32Å; F247-L273 HydrophobicContact CE1-CD1 3.76Å; F247-L273 HydrophobicContact CE2-CD1 4.44Å; F247-L273 HydrophobicContact CZ-CD1 3.83Å; H269-L273 WeakPolarHBondContact O-CB 3.31Å; H269-L273 PolarHBondContact O-N 3.47Å; M270-L273 HydrophobicContact CE-CD2 4.38Å; M270-L273 HydrophobicContact SD-CD2 4.41Å; L273-Q275 PolarHBondContact O-N 2.82Å; L273-A276 PolarHBondContact O-N 2.84Å; L273-V277 WeakPolarHBondContact O-CG2 3.48Å; L273-V277 PolarHBondContact O-N 2.82Å
274	A	83.1	Confident	79	Confident	58 Å²	58	86.1 Å²	86.1	48%	0.479	47%	0.466	S	S	.	.	H	α-helix	trans	-63.8	-39.5	177.4	0	0	0	0	0	112.1	M270 R271 M272 V277 H278	M270-A274 VanDerWaalsContact O-CB 3.25Å; M270-A274 WeakPolarHBondContact O-CB 2.9Å; M270-A274 PolarHBondContact O-N 3.05Å; R271-A274 PolarHBondContact O-N 3.14Å; M272-A274 PolarHBondContact O-N 3.07Å; A274-V277 PolarHBondContact O-N 2.87Å; A274-H278 VanDerWaalsContact O-CB 3.3Å; A274-H278 WeakPolarHBondContact O-CB 3.31Å; A274-H278 PolarHBondContact O-N 2.99Å
275	Q	84	Confident	76.6	Confident	135 Å²	135	87.1 Å²	87.1	63%	0.631	48%	0.475	S	S	*	.	H	α-helix	trans	-63	-43.3	174.2	-73.9	173.1	-12.4	0	0	111.9	R271 M272 L273 H278 S279	R271-Q275 WeakPolarHBondContact O-CG 3.22Å; R271-Q275 PolarHBondContact O-N 3.22Å; M272-Q275 PolarHBondContact O-N 3.47Å; L273-Q275 PolarHBondContact O-N 2.82Å; Q275-H278 PolarHBondContact O-N 3.1Å; Q275-S279 PolarHBondContact O-N 3.28Å; Q275-S279 PolarHBondContact O-OG 3.26Å
276	A	80.8	Confident	74.3	Confident	29 Å²	29	88.6 Å²	88.6	24%	0.24	49%	0.49	C	S	.	.	H	α-helix	trans	-60.4	-46.6	175.4	0	0	0	0	0	111.2	F247 M272 L273 H278 S279 L280	F247-A276 HydrophobicContact CD1-CB 4.06Å; F247-A276 HydrophobicContact CE1-CB 4.38Å; M272-A276 PolarHBondContact O-N 3.05Å; L273-A276 PolarHBondContact O-N 2.84Å; A276-H278 VanDerWaalsContact C-N 3.35Å; A276-H278 PolarHBondContact O-N 2.92Å; A276-S279 PolarHBondContact O-N 3.49Å; A276-S279 PolarHBondContact O-OG 3.31Å; A276-L280 PolarHBondContact O-N 3.14Å; A276-L280 VanDerWaalsContact O-N 3.13Å
277	V	80.6	Confident	72.7	Confident	80 Å²	80	88 Å²	88	49%	0.485	50%	0.498	S	S	.	.	H	α-helix	trans	-63.9	-38.3	175.8	174.7	0	0	0	0	112	L273 A274 L280 S281	L273-V277 WeakPolarHBondContact O-CG2 3.48Å; L273-V277 PolarHBondContact O-N 2.82Å; A274-V277 PolarHBondContact O-N 2.87Å; V277-L280 WeakPolarHBondContact O-CB 3.48Å; V277-L280 PolarHBondContact O-N 3.39Å; V277-S281 PolarHBondContact O-N 3.2Å; V277-S281 PolarHBondContact O-OG 2.71Å
278	H	74.4	Confident	70.9	Confident	119 Å²	119	87.4 Å²	87.4	55%	0.551	49%	0.49	S	S	*	.	H	α-helix	trans	-67	-39.6	176.8	-170.5	62.1	0	0	0	112	A274 Q275 A276 L280 S281 L282	A274-H278 VanDerWaalsContact O-CB 3.3Å; A274-H278 WeakPolarHBondContact O-CB 3.31Å; A274-H278 PolarHBondContact O-N 2.99Å; Q275-H278 PolarHBondContact O-N 3.1Å; A276-H278 VanDerWaalsContact C-N 3.35Å; A276-H278 PolarHBondContact O-N 2.92Å; H278-L280 VanDerWaalsContact C-N 3.29Å; H278-L280 PolarHBondContact O-N 3.08Å; H278-S281 WeakPolarHBondContact O-CA 3.19Å; H278-S281 WeakPolarHBondContact O-CB 3.4Å; H278-S281 PolarHBondContact O-N 2.86Å; H278-L282 PolarHBondContact O-N 3.36Å
279	S	71.8	Confident	69.4	Low	74 Å²	74	91.3 Å²	91.3	52%	0.517	51%	0.512	S	S	.	.	H	α-helix	trans	-63.1	-34.6	174.9	68.9	0	0	0	0	112.7	Q275 A276 S281 L282	Q275-S279 PolarHBondContact O-N 3.28Å; Q275-S279 PolarHBondContact O-OG 3.26Å; A276-S279 PolarHBondContact O-N 3.49Å; A276-S279 PolarHBondContact O-OG 3.31Å; S279-S281 VanDerWaalsContact C-N 3.32Å; S279-L282 PolarHBondContact O-N 2.79Å
280	L	66.6	Low	68	Low	125 Å²	125	93.9 Å²	93.9	65%	0.654	53%	0.53	S	S	*	.	H	α-helix	trans	-67.8	-31.4	170.3	-75.3	155.3	0	0	0	112.4	A276 V277 H278 L282	A276-L280 PolarHBondContact O-N 3.14Å; A276-L280 VanDerWaalsContact O-N 3.13Å; V277-L280 WeakPolarHBondContact O-CB 3.48Å; V277-L280 PolarHBondContact O-N 3.39Å; H278-L280 VanDerWaalsContact C-N 3.29Å; H278-L280 PolarHBondContact O-N 3.08Å; L280-L282 VanDerWaalsContact C-N 3.28Å; L280-L282 PolarHBondContact O-N 3.26Å
281	S	60.8	Low	67	Low	82 Å²	82	93.6 Å²	93.6	57%	0.573	53%	0.528	S	S	*	.	H	α-helix	trans	-75.5	-13.5	179.8	-55	0	0	0	0	113.8	V277 H278 S279 I283	V277-S281 PolarHBondContact O-N 3.2Å; V277-S281 PolarHBondContact O-OG 2.71Å; H278-S281 WeakPolarHBondContact O-CA 3.19Å; H278-S281 WeakPolarHBondContact O-CB 3.4Å; H278-S281 PolarHBondContact O-N 2.86Å; S279-S281 VanDerWaalsContact C-N 3.32Å; S281-I283 VanDerWaalsContact C-N 3.3Å
282	L	51.3	Low	66.2	Low	115 Å²	115	90.2 Å²	90.2	60%	0.602	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	4.6	-179.8	-74.8	168.8	0	0	0	113.9	H278 S279 L280 P284	H278-L282 PolarHBondContact O-N 3.36Å; S279-L282 PolarHBondContact O-N 2.79Å; L280-L282 VanDerWaalsContact C-N 3.28Å; L280-L282 PolarHBondContact O-N 3.26Å; L282-P284 WeakPolarHBondContact O-CD 3.32Å
283	I	51.4	Low	65.4	Low	111 Å²	111	94.9 Å²	94.9	57%	0.569	54%	0.539	S	S	*	.	S	Bend	trans	-80.8	104.2	167.3	-56.6	177.3	0	0	0	107.3	S281	S281-I283 VanDerWaalsContact C-N 3.3Å
284	P	47	Very low	64.9	Low	105 Å²	105	96 Å²	96	68%	0.682	55%	0.545	S	S	*	.			trans	-83.3	138.6	-176.6	1.6	20.1	0	0	0	109.2	L282	L282-P284 WeakPolarHBondContact O-CD 3.32Å
285	D	43	Very low	64.6	Low	159 Å²	159	99.2 Å²	99.2	85%	0.85	55%	0.549	S	S	*	.			trans	68.5	98.3	167.8	-69.4	-21.8	0	0	0	118.4
286	S	45.6	Very low	64.3	Low	88 Å²	88	98.6 Å²	98.6	62%	0.615	55%	0.546	S	S	*	.	S	Bend	trans	172.5	108.3	139.4	161.1	0	0	0	0	110.2	Y288	S286-Y288 WeakPolarHBondContact O-CD2 3.4Å; S286-Y288 WeakPolarHBondContact O-CE2 3.41Å; S286-Y288 PolarHBondContact O-N 2.91Å
287	G	56.3	Low	64.2	Low	56 Å²	56	102.3 Å²	102.3	58%	0.577	56%	0.558	S	S	*	*	S	Bend	trans	65.8	-15.4	158.3	0	0	0	0	0	119.9	V289 S290	G287-V289 VanDerWaalsContact C-N 3.33Å; G287-V289 PolarHBondContact O-N 3.29Å; G287-S290 PolarHBondContact O-N 3.19Å; G287-S290 PolarHBondContact O-OG 2.95Å
288	Y	52.6	Low	64.3	Low	124 Å²	124	101.6 Å²	101.6	49%	0.486	55%	0.554	S	S	.	*	H	α-helix	trans	-66.6	-22.5	-166.9	-70.9	-72.3	0	0	0	114.8	S286 S290 E291 V292	S286-Y288 WeakPolarHBondContact O-CD2 3.4Å; S286-Y288 WeakPolarHBondContact O-CE2 3.41Å; S286-Y288 PolarHBondContact O-N 2.91Å; Y288-S290 VanDerWaalsContact C-N 3.25Å; Y288-S290 PolarHBondContact O-N 3.39Å; Y288-E291 WeakPolarHBondContact CD1-OE2 3.14Å; Y288-E291 WeakPolarHBondContact CE1-OE2 3.47Å; Y288-E291 CarbonylContact O-C 3.54Å; Y288-E291 PolarHBondContact O-N 3.46Å; Y288-E291 VanDerWaalsContact O-N 3.1Å; Y288-V292 WeakPolarHBondContact O-CB 3.37Å; Y288-V292 WeakPolarHBondContact O-CG2 3.49Å; Y288-V292 PolarHBondContact O-N 2.98Å
289	V	59.1	Low	64.8	Low	123 Å²	123	100.2 Å²	100.2	75%	0.745	55%	0.55	S	S	*	.	H	α-helix	trans	-64.3	-33	-179.1	-177.6	0	0	0	0	111.8	G287 R293	G287-V289 VanDerWaalsContact C-N 3.33Å; G287-V289 PolarHBondContact O-N 3.29Å; V289-R293 PolarHBondContact O-N 3.34Å
290	S	64.6	Low	65.2	Low	56 Å²	56	103.1 Å²	103.1	39%	0.392	56%	0.555	S	S	.	*	H	α-helix	trans	-73.2	-40.7	172.6	82.4	0	0	0	0	111.2	G287 Y288 R293 N294	G287-S290 PolarHBondContact O-N 3.19Å; G287-S290 PolarHBondContact O-OG 2.95Å; Y288-S290 VanDerWaalsContact C-N 3.25Å; Y288-S290 PolarHBondContact O-N 3.39Å; S290-R293 PolarHBondContact O-N 2.97Å; S290-N294 PolarHBondContact O-N 2.78Å; S290-N294 PolarHBondContact O-ND2 3Å; S290-N294 PolarHBondContact O-OD1 3.18Å
291	E	68.7	Low	66.1	Low	85 Å²	85	103.4 Å²	103.4	40%	0.397	55%	0.553	S	S	.	*	H	α-helix	trans	-65.6	-44	179.1	-63.9	179.7	179.2	0	0	111.5	Y288 R293 N294 F295	Y288-E291 WeakPolarHBondContact CD1-OE2 3.14Å; Y288-E291 WeakPolarHBondContact CE1-OE2 3.47Å; Y288-E291 CarbonylContact O-C 3.54Å; Y288-E291 PolarHBondContact O-N 3.46Å; Y288-E291 VanDerWaalsContact O-N 3.1Å; E291-R293 VanDerWaalsContact C-N 3.31Å; E291-R293 PolarHBondContact O-N 2.59Å; E291-N294 CarbonylContact O-C 3.54Å; E291-N294 WeakPolarHBondContact O-CB 3.3Å; E291-N294 PolarHBondContact O-N 2.92Å; E291-N294 VanDerWaalsContact O-N 3.15Å; E291-F295 VanDerWaalsContact C-CD2 3.49Å; E291-F295 HydrophobicContact CB-CD2 4.26Å; E291-F295 HydrophobicContact CB-CE2 4.08Å; E291-F295 WeakPolarHBondContact O-CB 3.43Å; E291-F295 WeakPolarHBondContact O-CD2 3.34Å; E291-F295 WeakPolarHBondContact O-CG 3.21Å; E291-F295 PolarHBondContact O-N 3.02Å
292	V	70.7	Confident	67.4	Low	76 Å²	76	103.6 Å²	103.6	46%	0.461	55%	0.547	S	S	.	.	H	α-helix	trans	-59.5	-40.9	176.3	170.7	0	0	0	0	111	Y288 F295 Q296	Y288-V292 WeakPolarHBondContact O-CB 3.37Å; Y288-V292 WeakPolarHBondContact O-CG2 3.49Å; Y288-V292 PolarHBondContact O-N 2.98Å; V292-F295 PolarHBondContact O-N 3.12Å; V292-Q296 WeakPolarHBondContact O-CG 3.21Å; V292-Q296 PolarHBondContact O-N 3.24Å
293	R	72.4	Confident	69	Low	133 Å²	133	102.9 Å²	102.9	50%	0.502	54%	0.541	S	S	.	.	H	α-helix	trans	-67.3	-43.3	174.9	-161.4	-162.3	-36.1	140.1	11.9	111.7	V289 S290 E291 F295 Q296 E297	V289-R293 PolarHBondContact O-N 3.34Å; S290-R293 PolarHBondContact O-N 2.97Å; E291-R293 VanDerWaalsContact C-N 3.31Å; E291-R293 PolarHBondContact O-N 2.59Å; R293-F295 VanDerWaalsContact C-N 3.27Å; R293-F295 PolarHBondContact O-N 2.96Å; R293-Q296 WeakPolarHBondContact O-CB 3.35Å; R293-Q296 PolarHBondContact O-N 3Å; R293-E297 PolarHBondContact O-N 3.31Å
294	N	77.2	Confident	70.7	Confident	83 Å²	83	99.2 Å²	99.2	44%	0.444	53%	0.53	S	S	.	.	H	α-helix	trans	-61.6	-37.7	174.3	-66.1	-17.2	0	0	0	111.1	S290 E291 T298	S290-N294 PolarHBondContact O-N 2.78Å; S290-N294 PolarHBondContact O-ND2 3Å; S290-N294 PolarHBondContact O-OD1 3.18Å; E291-N294 CarbonylContact O-C 3.54Å; E291-N294 WeakPolarHBondContact O-CB 3.3Å; E291-N294 PolarHBondContact O-N 2.92Å; E291-N294 VanDerWaalsContact O-N 3.15Å; N294-T298 VanDerWaalsContact O-CB 3.31Å; N294-T298 WeakPolarHBondContact O-CB 3.47Å; N294-T298 PolarHBondContact O-N 3.11Å; N294-T298 PolarHBondContact O-OG1 2.72Å
295	F	78.1	Confident	72.8	Confident	125 Å²	125	100.6 Å²	100.6	55%	0.548	52%	0.522	S	S	.	.	H	α-helix	trans	-65.4	-42.6	173.6	-78.2	-59.5	0	0	0	111.3	E291 V292 R293 T298 I299	E291-F295 VanDerWaalsContact C-CD2 3.49Å; E291-F295 HydrophobicContact CB-CD2 4.26Å; E291-F295 HydrophobicContact CB-CE2 4.08Å; E291-F295 WeakPolarHBondContact O-CB 3.43Å; E291-F295 WeakPolarHBondContact O-CD2 3.34Å; E291-F295 WeakPolarHBondContact O-CG 3.21Å; E291-F295 PolarHBondContact O-N 3.02Å; V292-F295 PolarHBondContact O-N 3.12Å; R293-F295 VanDerWaalsContact C-N 3.27Å; R293-F295 PolarHBondContact O-N 2.96Å; F295-T298 CarbonylContact O-C 3.56Å; F295-T298 PolarHBondContact O-N 3.27Å; F295-I299 WeakPolarHBondContact O-CB 3.47Å; F295-I299 WeakPolarHBondContact O-CG1 3.46Å; F295-I299 PolarHBondContact O-N 2.95Å
296	Q	77.3	Confident	75	Confident	123 Å²	123	98.7 Å²	98.7	58%	0.575	51%	0.511	S	S	*	.	H	α-helix	trans	-60.2	-46	174.9	-76.3	174.4	-19.2	0	0	112.1	V292 R293 T298 I299 H300	V292-Q296 WeakPolarHBondContact O-CG 3.21Å; V292-Q296 PolarHBondContact O-N 3.24Å; R293-Q296 WeakPolarHBondContact O-CB 3.35Å; R293-Q296 PolarHBondContact O-N 3Å; Q296-T298 VanDerWaalsContact C-N 3.34Å; Q296-T298 PolarHBondContact O-N 3.39Å; Q296-I299 PolarHBondContact O-N 2.85Å; Q296-H300 PolarHBondContact O-N 3.08Å
297	E	79.5	Confident	77.2	Confident	107 Å²	107	99.4 Å²	99.4	50%	0.5	51%	0.511	S	S	.	.	H	α-helix	trans	-63.3	-41.2	175.4	-74	177.7	-168.1	0	0	111.7	R293 H300 Q301	R293-E297 PolarHBondContact O-N 3.31Å; E297-H300 PolarHBondContact O-N 3.29Å; E297-Q301 WeakPolarHBondContact O-CG 3.19Å; E297-Q301 PolarHBondContact O-N 2.9Å
298	T	82.4	Confident	78.9	Confident	65 Å²	65	104.6 Å²	104.6	40%	0.399	51%	0.513	S	S	.	.	H	α-helix	trans	-63.4	-43	175.6	-57	0	0	0	0	111.2	N294 F295 Q296 H300 Q301 L302	N294-T298 VanDerWaalsContact O-CB 3.31Å; N294-T298 WeakPolarHBondContact O-CB 3.47Å; N294-T298 PolarHBondContact O-N 3.11Å; N294-T298 PolarHBondContact O-OG1 2.72Å; F295-T298 CarbonylContact O-C 3.56Å; F295-T298 PolarHBondContact O-N 3.27Å; Q296-T298 VanDerWaalsContact C-N 3.34Å; Q296-T298 PolarHBondContact O-N 3.39Å; T298-H300 VanDerWaalsContact C-N 3.35Å; T298-H300 PolarHBondContact O-N 3Å; T298-Q301 PolarHBondContact O-N 3.06Å; T298-L302 HydrophobicContact CG2-CD1 4Å; T298-L302 HydrophobicContact CG2-CG 4.29Å; T298-L302 WeakPolarHBondContact O-CB 3.45Å; T298-L302 VanDerWaalsContact O-CG 3.22Å; T298-L302 WeakPolarHBondContact O-CG 3.29Å; T298-L302 PolarHBondContact O-N 3.26Å
299	I	83.5	Confident	80.8	Confident	89 Å²	89	103.4 Å²	103.4	46%	0.456	51%	0.512	S	S	.	.	H	α-helix	trans	-59.2	-47.3	175.3	-73.3	164.2	0	0	0	109.6	F295 Q296 Q301 L302 E303	F295-I299 WeakPolarHBondContact O-CB 3.47Å; F295-I299 WeakPolarHBondContact O-CG1 3.46Å; F295-I299 PolarHBondContact O-N 2.95Å; Q296-I299 PolarHBondContact O-N 2.85Å; I299-Q301 VanDerWaalsContact C-N 3.33Å; I299-Q301 PolarHBondContact O-N 3.24Å; I299-L302 CarbonylContact O-C 3.56Å; I299-L302 WeakPolarHBondContact O-CB 3.27Å; I299-L302 PolarHBondContact O-N 2.89Å; I299-L302 VanDerWaalsContact O-N 3.11Å; I299-E303 HydrophobicContact CG2-CG 4.25Å; I299-E303 WeakPolarHBondContact O-CB 3.34Å; I299-E303 VanDerWaalsContact O-CG 3.32Å; I299-E303 WeakPolarHBondContact O-CG 3.29Å; I299-E303 PolarHBondContact O-N 3.3Å
300	H	82.2	Confident	82.3	Confident	136 Å²	136	100.6 Å²	100.6	63%	0.63	49%	0.493	S	S	*	.	H	α-helix	trans	-64.5	-37.4	-179.9	-146.1	57.4	0	0	0	112.6	Q296 E297 T298 E303 G304	Q296-H300 PolarHBondContact O-N 3.08Å; E297-H300 PolarHBondContact O-N 3.29Å; T298-H300 VanDerWaalsContact C-N 3.35Å; T298-H300 PolarHBondContact O-N 3Å; H300-E303 IonicContact CE1-OE2 3.89Å; H300-E303 IonicContact CG-OE2 3.98Å; H300-E303 IonicContact ND1-OE2 3.07Å; H300-E303 PolarHBondContact ND1-OE2 2.92Å; H300-E303 VanDerWaalsContact ND1-OE2 3.07Å; H300-G304 PolarHBondContact O-N 3.4Å
301	Q	85.5	Confident	83.6	Confident	130 Å²	130	104 Å²	104	61%	0.607	50%	0.502	S	S	*	.	H	α-helix	trans	-65.8	-40.8	171.9	-71.7	178.7	19	0	0	112.3	E297 T298 I299 G304 R305	E297-Q301 WeakPolarHBondContact O-CG 3.19Å; E297-Q301 PolarHBondContact O-N 2.9Å; T298-Q301 PolarHBondContact O-N 3.06Å; I299-Q301 VanDerWaalsContact C-N 3.33Å; I299-Q301 PolarHBondContact O-N 3.24Å; Q301-G304 PolarHBondContact O-N 3.21Å; Q301-R305 WeakPolarHBondContact O-CG 3.24Å; Q301-R305 PolarHBondContact O-N 2.8Å
302	L	86.5	Confident	84.9	Confident	86 Å²	86	105.3 Å²	105.3	45%	0.45	51%	0.509	S	S	.	.	H	α-helix	trans	-66	-44.2	176.8	-73	173.8	0	0	0	110.9	T298 I299 G304 R305 L306	T298-L302 HydrophobicContact CG2-CD1 4Å; T298-L302 HydrophobicContact CG2-CG 4.29Å; T298-L302 WeakPolarHBondContact O-CB 3.45Å; T298-L302 VanDerWaalsContact O-CG 3.22Å; T298-L302 WeakPolarHBondContact O-CG 3.29Å; T298-L302 PolarHBondContact O-N 3.26Å; I299-L302 CarbonylContact O-C 3.56Å; I299-L302 WeakPolarHBondContact O-CB 3.27Å; I299-L302 PolarHBondContact O-N 2.89Å; I299-L302 VanDerWaalsContact O-N 3.11Å; L302-G304 PolarHBondContact O-N 3.33Å; L302-R305 CarbonylContact O-C 3.55Å; L302-R305 WeakPolarHBondContact O-CB 3.49Å; L302-R305 PolarHBondContact O-N 3.32Å; L302-R305 VanDerWaalsContact O-N 3.1Å; L302-L306 VanDerWaalsContact O-CB 3.28Å; L302-L306 WeakPolarHBondContact O-CB 3.38Å; L302-L306 PolarHBondContact O-N 3.45Å
303	E	85.6	Confident	85.9	Confident	101 Å²	101	106.5 Å²	106.5	47%	0.472	51%	0.511	S	S	.	.	H	α-helix	trans	-54.6	-49.7	172.7	-73.9	173.5	159.3	0	0	110.9	I299 H300 R305 L306 V307	I299-E303 HydrophobicContact CG2-CG 4.25Å; I299-E303 WeakPolarHBondContact O-CB 3.34Å; I299-E303 VanDerWaalsContact O-CG 3.32Å; I299-E303 WeakPolarHBondContact O-CG 3.29Å; I299-E303 PolarHBondContact O-N 3.3Å; H300-E303 IonicContact CE1-OE2 3.89Å; H300-E303 IonicContact CG-OE2 3.98Å; H300-E303 IonicContact ND1-OE2 3.07Å; H300-E303 PolarHBondContact ND1-OE2 2.92Å; H300-E303 VanDerWaalsContact ND1-OE2 3.07Å; E303-R305 VanDerWaalsContact C-N 3.29Å; E303-R305 PolarHBondContact O-N 2.72Å; E303-L306 PolarHBondContact O-N 3.4Å; E303-L306 VanDerWaalsContact O-N 3.13Å; E303-V307 WeakPolarHBondContact O-CG2 3.4Å; E303-V307 PolarHBondContact O-N 3.11Å
304	G	86.6	Confident	87	Confident	33 Å²	33	108 Å²	108	34%	0.34	52%	0.517	S	S	.	.	H	α-helix	trans	-64.3	-29.2	177.1	0	0	0	0	0	114.2	H300 Q301 L302 R308	H300-G304 PolarHBondContact O-N 3.4Å; Q301-G304 PolarHBondContact O-N 3.21Å; L302-G304 PolarHBondContact O-N 3.33Å; G304-R308 WeakPolarHBondContact O-CG 3.2Å; G304-R308 PolarHBondContact O-N 2.78Å; G304-R308 PolarHBondContact O-NE 3.31Å
305	R	91	Very high	87.8	Confident	134 Å²	134	108.4 Å²	108.4	51%	0.506	52%	0.516	S	S	.	.	H	α-helix	trans	-74.3	-40.2	170.9	-74.2	173.2	63.4	-175.5	-1.1	111.5	Q301 L302 E303 R308 Q309	Q301-R305 WeakPolarHBondContact O-CG 3.24Å; Q301-R305 PolarHBondContact O-N 2.8Å; L302-R305 CarbonylContact O-C 3.55Å; L302-R305 WeakPolarHBondContact O-CB 3.49Å; L302-R305 PolarHBondContact O-N 3.32Å; L302-R305 VanDerWaalsContact O-N 3.1Å; E303-R305 VanDerWaalsContact C-N 3.29Å; E303-R305 PolarHBondContact O-N 2.72Å; R305-R308 PolarHBondContact O-N 3.29Å; R305-Q309 WeakPolarHBondContact O-CB 3.15Å; R305-Q309 WeakPolarHBondContact O-CG 3.41Å; R305-Q309 PolarHBondContact O-N 3.23Å
306	L	90.1	Very high	88.7	Confident	119 Å²	119	107.8 Å²	107.8	62%	0.623	52%	0.518	S	S	*	.	H	α-helix	trans	-65.7	-41.3	-178.4	-149.4	147.6	0	0	0	110.5	L302 E303 R308 Q309 D310	L302-L306 VanDerWaalsContact O-CB 3.28Å; L302-L306 WeakPolarHBondContact O-CB 3.38Å; L302-L306 PolarHBondContact O-N 3.45Å; E303-L306 PolarHBondContact O-N 3.4Å; E303-L306 VanDerWaalsContact O-N 3.13Å; L306-R308 PolarHBondContact O-N 2.84Å; L306-Q309 PolarHBondContact O-N 3.01Å; L306-D310 VanDerWaalsContact O-CB 3.25Å; L306-D310 WeakPolarHBondContact O-CB 3.45Å; L306-D310 PolarHBondContact O-N 3.2Å
307	V	91.9	Very high	89.5	Confident	103 Å²	103	104.5 Å²	104.5	62%	0.624	51%	0.507	S	S	*	.	H	α-helix	trans	-61.6	-43	172.4	173.4	0	0	0	0	112	E303 D310 H311	E303-V307 WeakPolarHBondContact O-CG2 3.4Å; E303-V307 PolarHBondContact O-N 3.11Å; V307-D310 PolarHBondContact O-N 3.43Å; V307-H311 PolarHBondContact O-N 2.92Å
308	R	91.1	Very high	90.3	Very high	165 Å²	165	101.7 Å²	101.7	62%	0.623	50%	0.502	S	S	*	.	H	α-helix	trans	-66.6	-42.2	177.8	-75.8	-174.8	-73.8	177.2	-2.7	112.2	G304 R305 L306 H311 Q312	G304-R308 WeakPolarHBondContact O-CG 3.2Å; G304-R308 PolarHBondContact O-N 2.78Å; G304-R308 PolarHBondContact O-NE 3.31Å; R305-R308 PolarHBondContact O-N 3.29Å; L306-R308 PolarHBondContact O-N 2.84Å; R308-H311 PolarHBondContact O-N 3.31Å; R308-Q312 WeakPolarHBondContact O-CG 3.43Å; R308-Q312 PolarHBondContact O-N 2.75Å
309	Q	92	Very high	90.9	Very high	100 Å²	100	103.6 Å²	103.6	47%	0.467	50%	0.504	S	S	.	.	H	α-helix	trans	-67.9	-40	176.8	-73.6	-179.4	-47.8	0	0	111.5	R305 L306 H311 Q312 I313	R305-Q309 WeakPolarHBondContact O-CB 3.15Å; R305-Q309 WeakPolarHBondContact O-CG 3.41Å; R305-Q309 PolarHBondContact O-N 3.23Å; L306-Q309 PolarHBondContact O-N 3.01Å; Q309-H311 VanDerWaalsContact C-N 3.34Å; Q309-H311 PolarHBondContact O-N 3.47Å; Q309-Q312 PolarHBondContact O-N 3.04Å; Q309-I313 WeakPolarHBondContact O-CB 3.22Å; Q309-I313 VanDerWaalsContact O-CG1 3.26Å; Q309-I313 WeakPolarHBondContact O-CG1 3.24Å; Q309-I313 PolarHBondContact O-N 3.4Å
310	D	91.4	Very high	91.5	Very high	64 Å²	64	105 Å²	105	34%	0.342	51%	0.51	S	S	.	.	H	α-helix	trans	-60.1	-43.3	174.1	-176.3	72.3	0	0	0	111.3	L306 V307 Q312 I313 R314	L306-D310 VanDerWaalsContact O-CB 3.25Å; L306-D310 WeakPolarHBondContact O-CB 3.45Å; L306-D310 PolarHBondContact O-N 3.2Å; V307-D310 PolarHBondContact O-N 3.43Å; D310-Q312 PolarHBondContact O-N 2.94Å; D310-I313 PolarHBondContact O-N 3.21Å; D310-R314 WeakPolarHBondContact O-CG 3.44Å; D310-R314 PolarHBondContact O-N 3.41Å; D310-R314 IonicContact OD1-NE 3.89Å; D310-R314 IonicContact OD1-NH2 3.94Å; D310-R314 IonicContact OD2-CZ 3.17Å; D310-R314 IonicContact OD2-NE 2.8Å; D310-R314 PolarHBondContact OD2-NE 2.97Å; D310-R314 IonicContact OD2-NH2 2.73Å; D310-R314 PolarHBondContact OD2-NH2 3.45Å
311	H	91.9	Very high	92.1	Very high	126 Å²	126	104.1 Å²	104.1	58%	0.583	51%	0.507	S	S	*	.	H	α-helix	trans	-60.4	-45.3	173.5	-176	67.2	0	0	0	112.4	V307 R308 Q309 R314 E315	V307-H311 PolarHBondContact O-N 2.92Å; R308-H311 PolarHBondContact O-N 3.31Å; Q309-H311 VanDerWaalsContact C-N 3.34Å; Q309-H311 PolarHBondContact O-N 3.47Å; H311-R314 PolarHBondContact O-N 3.5Å; H311-E315 PolarHBondContact O-N 3.18Å
312	Q	95.1	Very high	92.6	Very high	114 Å²	114	101.2 Å²	101.2	53%	0.533	50%	0.498	S	S	.	.	H	α-helix	trans	-63.8	-40.2	176.6	-73.4	-179.9	-36.9	0	0	112.5	R308 Q309 D310 E315 L316	R308-Q312 WeakPolarHBondContact O-CG 3.43Å; R308-Q312 PolarHBondContact O-N 2.75Å; Q309-Q312 PolarHBondContact O-N 3.04Å; D310-Q312 PolarHBondContact O-N 2.94Å; Q312-E315 PolarHBondContact O-N 2.97Å; Q312-L316 WeakPolarHBondContact O-CB 3.44Å; Q312-L316 VanDerWaalsContact O-CG 3.3Å; Q312-L316 WeakPolarHBondContact O-CG 3.49Å; Q312-L316 PolarHBondContact O-N 3.16Å
313	I	93.7	Very high	93.1	Very high	100 Å²	100	103.3 Å²	103.3	51%	0.513	51%	0.505	S	S	.	.	H	α-helix	trans	-61.4	-48.8	175.9	-71.7	165.8	0	0	0	109.5	Q309 D310 E315 L316 T317	Q309-I313 WeakPolarHBondContact O-CB 3.22Å; Q309-I313 VanDerWaalsContact O-CG1 3.26Å; Q309-I313 WeakPolarHBondContact O-CG1 3.24Å; Q309-I313 PolarHBondContact O-N 3.4Å; D310-I313 PolarHBondContact O-N 3.21Å; I313-E315 VanDerWaalsContact C-N 3.33Å; I313-E315 PolarHBondContact O-N 2.9Å; I313-L316 PolarHBondContact O-N 2.95Å; I313-T317 WeakPolarHBondContact O-CB 3.3Å; I313-T317 PolarHBondContact O-N 3.39Å; I313-T317 PolarHBondContact O-OG1 2.94Å
314	R	93.7	Very high	93.6	Very high	166 Å²	166	101.8 Å²	101.8	63%	0.626	51%	0.506	S	S	*	.	H	α-helix	trans	-58.9	-42.4	177.1	-68.8	179.7	-158	-142.4	5.6	112.5	D310 H311 T317 A318	D310-R314 WeakPolarHBondContact O-CG 3.44Å; D310-R314 PolarHBondContact O-N 3.41Å; D310-R314 IonicContact OD1-NE 3.89Å; D310-R314 IonicContact OD1-NH2 3.94Å; D310-R314 IonicContact OD2-CZ 3.17Å; D310-R314 IonicContact OD2-NE 2.8Å; D310-R314 PolarHBondContact OD2-NE 2.97Å; D310-R314 IonicContact OD2-NH2 2.73Å; D310-R314 PolarHBondContact OD2-NH2 3.45Å; H311-R314 PolarHBondContact O-N 3.5Å; R314-T317 PolarHBondContact O-N 3.07Å; R314-A318 WeakPolarHBondContact O-CB 3.47Å; R314-A318 PolarHBondContact O-N 3.1Å
315	E	95.8	Very high	94	Very high	91 Å²	91	104.4 Å²	104.4	43%	0.425	52%	0.515	S	S	.	.	H	α-helix	trans	-64.2	-43.6	177.5	-167.6	-169.8	159.9	0	0	111.7	H311 Q312 I313 A318 K319	H311-E315 PolarHBondContact O-N 3.18Å; Q312-E315 PolarHBondContact O-N 2.97Å; I313-E315 VanDerWaalsContact C-N 3.33Å; I313-E315 PolarHBondContact O-N 2.9Å; E315-A318 PolarHBondContact O-N 3.21Å; E315-K319 WeakPolarHBondContact O-CG 3.23Å; E315-K319 PolarHBondContact O-N 3.15Å; E315-K319 VanDerWaalsContact OE1-CE 3.25Å; E315-K319 WeakPolarHBondContact OE1-CE 3.49Å; E315-K319 IonicContact OE1-NZ 2.64Å; E315-K319 PolarHBondContact OE1-NZ 3.27Å
316	L	96.1	Very high	94.3	Very high	111 Å²	111	104.7 Å²	104.7	58%	0.581	52%	0.517	S	S	*	.	H	α-helix	trans	-66.9	-40.5	177.1	-72.6	172.1	0	0	0	112	Q312 I313 K319 M320	Q312-L316 WeakPolarHBondContact O-CB 3.44Å; Q312-L316 VanDerWaalsContact O-CG 3.3Å; Q312-L316 WeakPolarHBondContact O-CG 3.49Å; Q312-L316 PolarHBondContact O-N 3.16Å; I313-L316 PolarHBondContact O-N 2.95Å; L316-K319 PolarHBondContact O-N 3.29Å; L316-M320 WeakPolarHBondContact O-CB 3Å; L316-M320 PolarHBondContact O-N 3.15Å
317	T	94.9	Very high	94.6	Very high	55 Å²	55	102.5 Å²	102.5	34%	0.337	51%	0.509	S	S	.	.	H	α-helix	trans	-60.4	-47.6	174.4	-59.9	0	0	0	0	110.8	I313 R314 K319 M320 E321	I313-T317 WeakPolarHBondContact O-CB 3.3Å; I313-T317 PolarHBondContact O-N 3.39Å; I313-T317 PolarHBondContact O-OG1 2.94Å; R314-T317 PolarHBondContact O-N 3.07Å; T317-K319 VanDerWaalsContact C-N 3.34Å; T317-K319 PolarHBondContact O-N 2.7Å; T317-M320 PolarHBondContact O-N 3.38Å; T317-E321 WeakPolarHBondContact O-CG 3.19Å; T317-E321 PolarHBondContact O-N 3.3Å
318	A	95	Very high	94.8	Very high	48 Å²	48	100.9 Å²	100.9	40%	0.397	50%	0.502	S	S	.	.	H	α-helix	trans	-62	-39.4	177.3	0	0	0	0	0	112.5	R314 E315 T322	R314-A318 WeakPolarHBondContact O-CB 3.47Å; R314-A318 PolarHBondContact O-N 3.1Å; E315-A318 PolarHBondContact O-N 3.21Å; A318-T322 WeakPolarHBondContact O-CB 3.18Å; A318-T322 PolarHBondContact O-N 3.38Å; A318-T322 PolarHBondContact O-OG1 3.27Å
319	K	95.9	Very high	95.1	Very high	105 Å²	105	97.8 Å²	97.8	46%	0.457	50%	0.495	S	S	.	.	H	α-helix	trans	-64.9	-42.8	173.8	-75.4	175.7	-174.5	169.2	0	112	E315 L316 T317 T322 Q323	E315-K319 WeakPolarHBondContact O-CG 3.23Å; E315-K319 PolarHBondContact O-N 3.15Å; E315-K319 VanDerWaalsContact OE1-CE 3.25Å; E315-K319 WeakPolarHBondContact OE1-CE 3.49Å; E315-K319 IonicContact OE1-NZ 2.64Å; E315-K319 PolarHBondContact OE1-NZ 3.27Å; L316-K319 PolarHBondContact O-N 3.29Å; T317-K319 VanDerWaalsContact C-N 3.34Å; T317-K319 PolarHBondContact O-N 2.7Å; K319-T322 PolarHBondContact O-N 3.22Å; K319-Q323 WeakPolarHBondContact O-CG 3.43Å; K319-Q323 PolarHBondContact O-N 2.75Å
320	M	96.2	Very high	95.3	Very high	117 Å²	117	98.1 Å²	98.1	58%	0.576	50%	0.499	S	S	*	.	H	α-helix	trans	-63.9	-44.3	178.3	-176.9	-170.8	70.9	0	0	111.6	L316 T317 T322 Q323 S324	L316-M320 WeakPolarHBondContact O-CB 3Å; L316-M320 PolarHBondContact O-N 3.15Å; T317-M320 PolarHBondContact O-N 3.38Å; M320-T322 VanDerWaalsContact C-N 3.33Å; M320-T322 PolarHBondContact O-N 3.21Å; M320-Q323 PolarHBondContact O-N 3.09Å; M320-S324 WeakPolarHBondContact O-CB 3.44Å; M320-S324 PolarHBondContact O-N 3.41Å
321	E	95	Very high	95.6	Very high	119 Å²	119	100.9 Å²	100.9	56%	0.556	51%	0.508	S	S	*	.	H	α-helix	trans	-59.7	-45	175	-73.4	174.1	176.5	0	0	111.2	T317 Q323 S324 T325	T317-E321 WeakPolarHBondContact O-CG 3.19Å; T317-E321 PolarHBondContact O-N 3.3Å; E321-Q323 PolarHBondContact O-N 3.22Å; E321-S324 WeakPolarHBondContact O-CB 3.49Å; E321-S324 PolarHBondContact O-N 3.09Å; E321-T325 PolarHBondContact O-N 3.2Å; E321-T325 VanDerWaalsContact O-N 3.13Å
322	T	96	Very high	95.8	Very high	68 Å²	68	102 Å²	102	42%	0.417	51%	0.507	S	S	.	.	H	α-helix	trans	-63.5	-38.7	176.1	-55.8	0	0	0	0	112.2	A318 K319 M320 T325 Y326	A318-T322 WeakPolarHBondContact O-CB 3.18Å; A318-T322 PolarHBondContact O-N 3.38Å; A318-T322 PolarHBondContact O-OG1 3.27Å; K319-T322 PolarHBondContact O-N 3.22Å; M320-T322 VanDerWaalsContact C-N 3.33Å; M320-T322 PolarHBondContact O-N 3.21Å; T322-T325 PolarHBondContact O-OG1 2.67Å; T322-Y326 HydrophobicContact CG2-CD2 4.06Å; T322-Y326 HydrophobicContact CG2-CE2 3.52Å; T322-Y326 WeakPolarHBondContact O-CD2 3.38Å; T322-Y326 PolarHBondContact O-N 3.42Å
323	Q	96.4	Very high	95.9	Very high	130 Å²	130	99.4 Å²	99.4	61%	0.607	50%	0.499	S	S	*	.	H	α-helix	trans	-69.1	-37.3	175.2	-76.1	179.4	-21.5	0	0	112.2	K319 M320 E321 T325 Y326 V327	K319-Q323 WeakPolarHBondContact O-CG 3.43Å; K319-Q323 PolarHBondContact O-N 2.75Å; M320-Q323 PolarHBondContact O-N 3.09Å; E321-Q323 PolarHBondContact O-N 3.22Å; Q323-T325 VanDerWaalsContact C-N 3.32Å; Q323-T325 PolarHBondContact O-N 2.89Å; Q323-Y326 PolarHBondContact O-N 3.29Å; Q323-V327 WeakPolarHBondContact O-CG2 3.43Å; Q323-V327 PolarHBondContact O-N 3.24Å
324	S	95.5	Very high	96.1	Very high	70 Å²	70	99 Å²	99	49%	0.49	50%	0.497	S	S	.	.	H	α-helix	trans	-60.8	-40.3	176.9	-175.7	0	0	0	0	112.2	M320 E321 S328	M320-S324 WeakPolarHBondContact O-CB 3.44Å; M320-S324 PolarHBondContact O-N 3.41Å; E321-S324 WeakPolarHBondContact O-CB 3.49Å; E321-S324 PolarHBondContact O-N 3.09Å; S324-S328 WeakPolarHBondContact O-CB 3.26Å; S324-S328 PolarHBondContact O-N 3.17Å; S324-S328 PolarHBondContact O-OG 2.77Å
325	T	95.5	Very high	96.2	Very high	88 Å²	88	97.5 Å²	97.5	54%	0.54	49%	0.492	S	S	.	.	H	α-helix	trans	-66.6	-43.3	175.4	57.5	0	0	0	0	111.8	E321 T322 Q323 V327 S328 E329	E321-T325 PolarHBondContact O-N 3.2Å; E321-T325 VanDerWaalsContact O-N 3.13Å; T322-T325 PolarHBondContact O-OG1 2.67Å; Q323-T325 VanDerWaalsContact C-N 3.32Å; Q323-T325 PolarHBondContact O-N 2.89Å; T325-V327 PolarHBondContact O-N 3.27Å; T325-S328 WeakPolarHBondContact O-CB 3.4Å; T325-S328 PolarHBondContact O-N 3.3Å; T325-E329 PolarHBondContact O-N 2.87Å
326	Y	96.6	Very high	96.2	Very high	139 Å²	139	96.1 Å²	96.1	55%	0.545	49%	0.489	S	S	.	.	H	α-helix	trans	-61.9	-43.1	174.9	-72.6	-53.1	0	0	0	113.1	T322 Q323 S328 E329 L330	T322-Y326 HydrophobicContact CG2-CD2 4.06Å; T322-Y326 HydrophobicContact CG2-CE2 3.52Å; T322-Y326 WeakPolarHBondContact O-CD2 3.38Å; T322-Y326 PolarHBondContact O-N 3.42Å; Q323-Y326 PolarHBondContact O-N 3.29Å; Y326-S328 VanDerWaalsContact C-N 3.29Å; Y326-S328 PolarHBondContact O-N 3.13Å; Y326-E329 PolarHBondContact O-N 2.91Å; Y326-L330 WeakPolarHBondContact O-CB 3.21Å; Y326-L330 WeakPolarHBondContact O-CG 3.36Å; Y326-L330 PolarHBondContact O-N 3.12Å
327	V	97.2	Very high	96.2	Very high	74 Å²	74	95.7 Å²	95.7	45%	0.448	49%	0.487	S	S	.	.	H	α-helix	trans	-61.6	-40.7	176.4	169.7	0	0	0	0	110.8	Q323 T325 L330 K331	Q323-V327 WeakPolarHBondContact O-CG2 3.43Å; Q323-V327 PolarHBondContact O-N 3.24Å; T325-V327 PolarHBondContact O-N 3.27Å; V327-L330 PolarHBondContact O-N 3.44Å; V327-K331 HydrophobicContact CG1-CD 4.31Å; V327-K331 WeakPolarHBondContact O-CB 3.45Å; V327-K331 WeakPolarHBondContact O-CG 3.24Å; V327-K331 PolarHBondContact O-N 3Å
328	S	95.8	Very high	96.2	Very high	68 Å²	68	98.7 Å²	98.7	48%	0.476	50%	0.497	S	S	.	.	H	α-helix	trans	-64.8	-41.6	177.6	-60.7	0	0	0	0	112	S324 T325 Y326 R332	S324-S328 WeakPolarHBondContact O-CB 3.26Å; S324-S328 PolarHBondContact O-N 3.17Å; S324-S328 PolarHBondContact O-OG 2.77Å; T325-S328 WeakPolarHBondContact O-CB 3.4Å; T325-S328 PolarHBondContact O-N 3.3Å; Y326-S328 VanDerWaalsContact C-N 3.29Å; Y326-S328 PolarHBondContact O-N 3.13Å; S328-R332 PolarHBondContact O-N 2.89Å; S328-R332 VanDerWaalsContact O-N 3.1Å
329	E	96.7	Very high	96	Very high	101 Å²	101	101.8 Å²	101.8	47%	0.472	51%	0.507	S	S	.	.	H	α-helix	trans	-67.7	-41.3	176.2	-176.6	167.7	-154.1	0	0	112.6	T325 Y326 R332 T333	T325-E329 PolarHBondContact O-N 2.87Å; Y326-E329 PolarHBondContact O-N 2.91Å; E329-R332 WeakPolarHBondContact O-CB 3.43Å; E329-R332 PolarHBondContact O-N 3.31Å; E329-T333 PolarHBondContact O-N 2.95Å; E329-T333 PolarHBondContact O-OG1 3.16Å
330	L	97.5	Very high	95.9	Very high	107 Å²	107	102.3 Å²	102.3	56%	0.56	51%	0.509	S	S	*	.	H	α-helix	trans	-61.5	-46.7	174.5	-76.9	170.9	0	0	0	111.3	Y326 V327 R332 T333 I334	Y326-L330 WeakPolarHBondContact O-CB 3.21Å; Y326-L330 WeakPolarHBondContact O-CG 3.36Å; Y326-L330 PolarHBondContact O-N 3.12Å; V327-L330 PolarHBondContact O-N 3.44Å; L330-R332 VanDerWaalsContact C-N 3.29Å; L330-R332 PolarHBondContact O-N 3.41Å; L330-T333 WeakPolarHBondContact O-CB 3.29Å; L330-T333 PolarHBondContact O-N 2.89Å; L330-T333 VanDerWaalsContact O-N 3.08Å; L330-I334 WeakPolarHBondContact O-CG1 3.25Å; L330-I334 PolarHBondContact O-N 3.38Å
331	K	96.6	Very high	95.7	Very high	121 Å²	121	100.4 Å²	100.4	53%	0.526	50%	0.504	S	S	.	.	H	α-helix	trans	-57.4	-40.8	175	-76.7	-179.8	177.6	-174.2	0	112.2	V327 R335	V327-K331 HydrophobicContact CG1-CD 4.31Å; V327-K331 WeakPolarHBondContact O-CB 3.45Å; V327-K331 WeakPolarHBondContact O-CG 3.24Å; V327-K331 PolarHBondContact O-N 3Å; K331-R335 WeakPolarHBondContact O-CG 3.5Å; K331-R335 PolarHBondContact O-N 3.48Å; K331-R335 VanDerWaalsContact O-N 3.14Å
332	R	96.1	Very high	95.5	Very high	149 Å²	149	97.4 Å²	97.4	56%	0.562	50%	0.5	S	S	*	.	H	α-helix	trans	-64.8	-41	175.5	-173	-177.8	70.7	114.7	-1.7	111.8	S328 E329 L330 T336	S328-R332 PolarHBondContact O-N 2.89Å; S328-R332 VanDerWaalsContact O-N 3.1Å; E329-R332 WeakPolarHBondContact O-CB 3.43Å; E329-R332 PolarHBondContact O-N 3.31Å; L330-R332 VanDerWaalsContact C-N 3.29Å; L330-R332 PolarHBondContact O-N 3.41Å; R332-T336 PolarHBondContact O-N 2.99Å; R332-T336 VanDerWaalsContact O-N 3.07Å; R332-T336 PolarHBondContact O-OG1 3.07Å
333	T	97.4	Very high	95.1	Very high	61 Å²	61	99 Å²	99	37%	0.374	50%	0.503	S	S	.	.	H	α-helix	trans	-66.5	-42.8	178.6	-55.6	0	0	0	0	111.2	E329 L330 T336 L337	E329-T333 PolarHBondContact O-N 2.95Å; E329-T333 PolarHBondContact O-OG1 3.16Å; L330-T333 WeakPolarHBondContact O-CB 3.29Å; L330-T333 PolarHBondContact O-N 2.89Å; L330-T333 VanDerWaalsContact O-N 3.08Å; T333-T336 PolarHBondContact O-N 2.6Å; T333-L337 HydrophobicContact CG2-CD1 4.15Å; T333-L337 HydrophobicContact CG2-CG 4.47Å; T333-L337 WeakPolarHBondContact O-CG 3.45Å; T333-L337 PolarHBondContact O-N 3.3Å
334	I	97.3	Very high	94.8	Very high	90 Å²	90	96.9 Å²	96.9	46%	0.462	49%	0.494	S	S	.	.	H	α-helix	trans	-57.1	-52.6	175.2	-70.3	166	0	0	0	110.4	L330 T336 L337 E338	L330-I334 WeakPolarHBondContact O-CG1 3.25Å; L330-I334 PolarHBondContact O-N 3.38Å; I334-T336 VanDerWaalsContact C-N 3.29Å; I334-T336 PolarHBondContact O-N 2.75Å; I334-L337 CarbonylContact O-C 3.58Å; I334-L337 WeakPolarHBondContact O-CA 3.35Å; I334-L337 WeakPolarHBondContact O-CB 3.47Å; I334-L337 PolarHBondContact O-N 3.38Å; I334-E338 HydrophobicContact CG2-CG 4.3Å; I334-E338 WeakPolarHBondContact O-CG 3.44Å; I334-E338 PolarHBondContact O-N 3.14Å
335	R	96.1	Very high	94.4	Very high	136 Å²	136	99.5 Å²	99.5	51%	0.513	50%	0.499	S	S	.	.	H	α-helix	trans	-55.7	-43.8	176.4	-72	-173.7	-68.4	-105.2	2	112.8	K331 L337 E338 D339	K331-R335 WeakPolarHBondContact O-CG 3.5Å; K331-R335 PolarHBondContact O-N 3.48Å; K331-R335 VanDerWaalsContact O-N 3.14Å; R335-L337 VanDerWaalsContact C-N 3.28Å; R335-L337 PolarHBondContact O-N 2.83Å; R335-E338 PolarHBondContact O-N 3.44Å; R335-D339 PolarHBondContact O-N 3.29Å
336	T	96.2	Very high	94	Very high	62 Å²	62	95.8 Å²	95.8	38%	0.38	48%	0.477	S	S	.	.	H	α-helix	trans	-64	-35	178.2	-53.4	0	0	0	0	112.1	R332 T333 I334 K340	R332-T336 PolarHBondContact O-N 2.99Å; R332-T336 VanDerWaalsContact O-N 3.07Å; R332-T336 PolarHBondContact O-OG1 3.07Å; T333-T336 PolarHBondContact O-N 2.6Å; I334-T336 VanDerWaalsContact C-N 3.29Å; I334-T336 PolarHBondContact O-N 2.75Å; T336-K340 VanDerWaalsContact O-CG 3.31Å; T336-K340 WeakPolarHBondContact O-CG 3.15Å; T336-K340 PolarHBondContact O-N 3.27Å
337	L	96.7	Very high	93.5	Very high	101 Å²	101	90.5 Å²	90.5	53%	0.529	46%	0.457	S	S	.	.	H	α-helix	trans	-74.1	-41.6	176.4	-71.2	173.1	0	0	0	111.5	T333 I334 R335 D339 K340 V341	T333-L337 HydrophobicContact CG2-CD1 4.15Å; T333-L337 HydrophobicContact CG2-CG 4.47Å; T333-L337 WeakPolarHBondContact O-CG 3.45Å; T333-L337 PolarHBondContact O-N 3.3Å; I334-L337 CarbonylContact O-C 3.58Å; I334-L337 WeakPolarHBondContact O-CA 3.35Å; I334-L337 WeakPolarHBondContact O-CB 3.47Å; I334-L337 PolarHBondContact O-N 3.38Å; R335-L337 VanDerWaalsContact C-N 3.28Å; R335-L337 PolarHBondContact O-N 2.83Å; L337-D339 VanDerWaalsContact C-N 3.35Å; L337-D339 PolarHBondContact O-N 3.21Å; L337-K340 PolarHBondContact O-N 2.72Å; L337-V341 WeakPolarHBondContact O-CB 3.34Å; L337-V341 VanDerWaalsContact O-CG2 3.28Å; L337-V341 WeakPolarHBondContact O-CG2 3.47Å; L337-V341 PolarHBondContact O-N 2.82Å
338	E	95	Very high	92.9	Very high	118 Å²	118	93.4 Å²	93.4	55%	0.551	47%	0.466	S	S	*	.	H	α-helix	trans	-58	-45.8	174.2	-71.2	168.5	157.3	0	0	111.3	I334 R335 K340 V341 A342	I334-E338 HydrophobicContact CG2-CG 4.3Å; I334-E338 WeakPolarHBondContact O-CG 3.44Å; I334-E338 PolarHBondContact O-N 3.14Å; R335-E338 PolarHBondContact O-N 3.44Å; E338-K340 VanDerWaalsContact C-N 3.35Å; E338-K340 PolarHBondContact O-N 2.96Å; E338-V341 PolarHBondContact O-N 2.97Å; E338-A342 WeakPolarHBondContact O-CB 3.19Å; E338-A342 PolarHBondContact O-N 3.24Å
339	D	91.5	Very high	92.3	Very high	114 Å²	114	91.1 Å²	91.1	61%	0.61	45%	0.45	S	S	*	.	H	α-helix	trans	-59.9	-43.7	175.6	-72.5	-27.2	0	0	0	111.8	R335 L337 A342 E343	R335-D339 PolarHBondContact O-N 3.29Å; L337-D339 VanDerWaalsContact C-N 3.35Å; L337-D339 PolarHBondContact O-N 3.21Å; D339-A342 PolarHBondContact O-N 2.86Å; D339-E343 WeakPolarHBondContact O-CB 3.28Å; D339-E343 PolarHBondContact O-N 3.35Å
340	K	92.1	Very high	91.8	Very high	115 Å²	115	92.2 Å²	92.2	50%	0.5	46%	0.459	S	S	.	.	H	α-helix	trans	-68.3	-37.4	177.5	-76.3	178.9	178.7	-176	0	112.5	T336 L337 E338 E343 I344	T336-K340 VanDerWaalsContact O-CG 3.31Å; T336-K340 WeakPolarHBondContact O-CG 3.15Å; T336-K340 PolarHBondContact O-N 3.27Å; L337-K340 PolarHBondContact O-N 2.72Å; E338-K340 VanDerWaalsContact C-N 3.35Å; E338-K340 PolarHBondContact O-N 2.96Å; K340-E343 PolarHBondContact O-N 3.29Å; K340-I344 WeakPolarHBondContact O-CB 3.45Å; K340-I344 WeakPolarHBondContact O-CD1 3.35Å; K340-I344 WeakPolarHBondContact O-CG1 3.47Å; K340-I344 PolarHBondContact O-N 3.32Å
341	V	93.8	Very high	91.3	Very high	78 Å²	78	87.2 Å²	87.2	47%	0.473	43%	0.434	S	S	.	.	H	α-helix	trans	-64.2	-48	175.3	168.5	0	0	0	0	109.5	L337 E338 E343 I344 E345	L337-V341 WeakPolarHBondContact O-CB 3.34Å; L337-V341 VanDerWaalsContact O-CG2 3.28Å; L337-V341 WeakPolarHBondContact O-CG2 3.47Å; L337-V341 PolarHBondContact O-N 2.82Å; E338-V341 PolarHBondContact O-N 2.97Å; V341-E343 VanDerWaalsContact C-N 3.28Å; V341-E343 PolarHBondContact O-N 3.32Å; V341-I344 PolarHBondContact O-N 3.36Å; V341-I344 VanDerWaalsContact O-N 3.13Å; V341-E345 HydrophobicContact CG1-CG 4.34Å; V341-E345 WeakPolarHBondContact O-CG 3.46Å; V341-E345 PolarHBondContact O-N 3.09Å
342	A	88.9	Confident	91.3	Very high	55 Å²	55	85 Å²	85	46%	0.455	43%	0.427	S	S	.	.	H	α-helix	trans	-59.4	-39.4	176.3	0	0	0	0	0	112.1	E338 D339 A346	E338-A342 WeakPolarHBondContact O-CB 3.19Å; E338-A342 PolarHBondContact O-N 3.24Å; D339-A342 PolarHBondContact O-N 2.86Å; A342-A346 VanDerWaalsContact O-CB 3.27Å; A342-A346 WeakPolarHBondContact O-CB 3.43Å; A342-A346 PolarHBondContact O-N 2.87Å
343	E	87.7	Confident	91.3	Very high	103 Å²	103	79.8 Å²	79.8	48%	0.481	41%	0.407	S	S	.	.	H	α-helix	trans	-65.3	-42.6	174.6	-174.7	175.8	-165.2	0	0	112.5	D339 K340 V341 A346 Q347	D339-E343 WeakPolarHBondContact O-CB 3.28Å; D339-E343 PolarHBondContact O-N 3.35Å; K340-E343 PolarHBondContact O-N 3.29Å; V341-E343 VanDerWaalsContact C-N 3.28Å; V341-E343 PolarHBondContact O-N 3.32Å; E343-A346 WeakPolarHBondContact O-CB 3.36Å; E343-A346 PolarHBondContact O-N 3.47Å; E343-Q347 WeakPolarHBondContact O-CG 3.28Å; E343-Q347 PolarHBondContact O-N 2.95Å; E343-Q347 VanDerWaalsContact O-N 3.11Å
344	I	89.9	Confident	91.3	Very high	85 Å²	85	80.7 Å²	80.7	44%	0.436	41%	0.409	S	S	.	.	H	α-helix	trans	-64.9	-46.4	176.9	-70.7	164.9	0	0	0	110.6	K340 V341 A346 Q347 Q348	K340-I344 WeakPolarHBondContact O-CB 3.45Å; K340-I344 WeakPolarHBondContact O-CD1 3.35Å; K340-I344 WeakPolarHBondContact O-CG1 3.47Å; K340-I344 PolarHBondContact O-N 3.32Å; V341-I344 PolarHBondContact O-N 3.36Å; V341-I344 VanDerWaalsContact O-N 3.13Å; I344-A346 VanDerWaalsContact C-N 3.31Å; I344-A346 PolarHBondContact O-N 3.22Å; I344-Q347 PolarHBondContact O-N 2.84Å; I344-Q347 VanDerWaalsContact O-N 3.08Å; I344-Q348 HydrophobicContact CG2-CG 4.35Å; I344-Q348 WeakPolarHBondContact O-CG 3.1Å; I344-Q348 PolarHBondContact O-N 2.88Å
345	E	88.4	Confident	91.3	Very high	124 Å²	124	77.2 Å²	77.2	58%	0.579	39%	0.39	S	S	*	.	H	α-helix	trans	-58.9	-43.4	176.8	-73	-176.5	159.1	0	0	111.3	V341 Q347 Q348 C349	V341-E345 HydrophobicContact CG1-CG 4.34Å; V341-E345 WeakPolarHBondContact O-CG 3.46Å; V341-E345 PolarHBondContact O-N 3.09Å; E345-Q347 VanDerWaalsContact C-N 3.26Å; E345-Q347 PolarHBondContact O-N 2.89Å; E345-Q348 PolarHBondContact O-N 3.44Å; E345-C349 PolarHBondContact O-SG 2.99Å
346	A	85.9	Confident	91.3	Very high	11 Å²	11	78.3 Å²	78.3	9%	0.091	40%	0.398	C	S	.	.	H	α-helix	trans	-58.9	-36.3	175	0	0	0	0	0	112.8	A342 E343 I344 G379 Y381	A342-A346 VanDerWaalsContact O-CB 3.27Å; A342-A346 WeakPolarHBondContact O-CB 3.43Å; A342-A346 PolarHBondContact O-N 2.87Å; E343-A346 WeakPolarHBondContact O-CB 3.36Å; E343-A346 PolarHBondContact O-N 3.47Å; I344-A346 VanDerWaalsContact C-N 3.31Å; I344-A346 PolarHBondContact O-N 3.22Å; A346-G379 WeakPolarHBondContact CB-O 3.45Å; A346-Y381 HydrophobicContact CB-CD2 4.47Å; A346-Y381 PolarHBondContact O-N 2.86Å
347	Q	86.3	Confident	91.4	Very high	27 Å²	27	75.7 Å²	75.7	13%	0.126	38%	0.382	C	S	.	.	H	α-helix	trans	-78.4	-23.4	178.8	-70.3	-179.9	18.9	0	0	113.5	E343 I344 E345 Y381	E343-Q347 WeakPolarHBondContact O-CG 3.28Å; E343-Q347 PolarHBondContact O-N 2.95Å; E343-Q347 VanDerWaalsContact O-N 3.11Å; I344-Q347 PolarHBondContact O-N 2.84Å; I344-Q347 VanDerWaalsContact O-N 3.08Å; E345-Q347 VanDerWaalsContact C-N 3.26Å; E345-Q347 PolarHBondContact O-N 2.89Å; Q347-Y381 HydrophobicContact CG-CD2 3.81Å; Q347-Y381 HydrophobicContact CG-CE2 4Å
348	Q	85	Confident	91.4	Very high	135 Å²	135	72.5 Å²	72.5	63%	0.631	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-1.3	-175.1	-74.3	-174.5	5.4	0	0	114.8	I344 E345 N350	I344-Q348 HydrophobicContact CG2-CG 4.35Å; I344-Q348 WeakPolarHBondContact O-CG 3.1Å; I344-Q348 PolarHBondContact O-N 2.88Å; E345-Q348 PolarHBondContact O-N 3.44Å; Q348-N350 VanDerWaalsContact C-N 3.27Å; Q348-N350 PolarHBondContact O-N 2.94Å
349	C	83.6	Confident	91.5	Very high	21 Å²	21	71.5 Å²	71.5	14%	0.142	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-25.7	-175.3	-63.1	0	0	0	0	114	E345 G351 I352 Y353 F380	E345-C349 PolarHBondContact O-SG 2.99Å; C349-G351 PolarHBondContact O-N 2.81Å; C349-G351 VanDerWaalsContact O-N 3.12Å; C349-I352 WeakPolarHBondContact CB-O 3.5Å; C349-I352 CarbonylContact O-C 3.46Å; C349-I352 PolarHBondContact O-N 3.33Å; C349-Y353 WeakPolarHBondContact SG-CD2 3.36Å; C349-F380 HydrophobicContact CB-CB 4.45Å
350	N	85.8	Confident	91.8	Very high	124 Å²	124	66.1 Å²	66.1	66%	0.663	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	41.9	179.9	-70.3	-28.3	0	0	0	113.7	Q348 I352 T382	Q348-N350 VanDerWaalsContact C-N 3.27Å; Q348-N350 PolarHBondContact O-N 2.94Å; N350-I352 VanDerWaalsContact C-N 3.31Å; N350-I352 PolarHBondContact O-N 3.42Å; N350-T382 CarbonylContact C-O 3.59Å
351	G	88.2	Confident	92.1	Very high	2 Å²	2	62 Å²	62	2%	0.021	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	-7.7	-180	0	0	0	0	0	115	C349 T382 E498 V499	C349-G351 PolarHBondContact O-N 2.81Å; C349-G351 VanDerWaalsContact O-N 3.12Å; G351-T382 PolarHBondContact N-O 3.39Å; G351-E498 CarbonylContact O-C 3.59Å; G351-E498 VanDerWaalsContact O-CA 3.28Å; G351-E498 WeakPolarHBondContact O-CA 3.23Å; G351-V499 PolarHBondContact O-N 3.24Å
352	I	95.3	Very high	92.2	Very high	75 Å²	75	63.1 Å²	63.1	39%	0.385	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	116.5	176.5	-58.5	169.6	0	0	0	109.3	C349 N350 R496 C497 E498	C349-I352 WeakPolarHBondContact CB-O 3.5Å; C349-I352 CarbonylContact O-C 3.46Å; C349-I352 PolarHBondContact O-N 3.33Å; N350-I352 VanDerWaalsContact C-N 3.31Å; N350-I352 PolarHBondContact O-N 3.42Å; I352-R496 HydrophobicContact CG2-CG 4.43Å; I352-C497 WeakPolarHBondContact CA-O 3.48Å; I352-E498 HydrophobicContact CG1-CB 4.29Å; I352-E498 HydrophobicContact CG1-CG 4.03Å
353	Y	96.3	Very high	92.7	Very high	38 Å²	38	62 Å²	62	15%	0.149	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133.8	177.6	-178.6	-116.5	0	0	0	111.1	C349 W355 P378 F380 M391 R496 C497	C349-Y353 WeakPolarHBondContact SG-CD2 3.36Å; Y353-W355 HydrophobicContact CD1-CB 4.39Å; Y353-W355 HydrophobicContact CE1-CB 3.84Å; Y353-W355 HydrophobicContact CE1-CG 4.46Å; Y353-P378 WeakPolarHBondContact OH-CD 3.36Å; Y353-F380 HydrophobicContact CD1-CB 4.23Å; Y353-F380 AromaticContact CD1-CD1 3.21Å; Y353-F380 HydrophobicContact CD1-CD1 3.21Å; Y353-F380 HydrophobicContact CD1-CD2 4.36Å; Y353-F380 AromaticContact CD1-CE1 3.51Å; Y353-F380 HydrophobicContact CD1-CE1 3.51Å; Y353-F380 AromaticContact CD1-CG 3.69Å; Y353-F380 HydrophobicContact CD1-CG 3.69Å; Y353-F380 HydrophobicContact CD1-CZ 4.21Å; Y353-F380 HydrophobicContact CD2-CB 3.92Å; Y353-F380 HydrophobicContact CD2-CD1 4.42Å; Y353-F380 HydrophobicContact CD2-CG 4.17Å; Y353-F380 AromaticContact CE1-CD1 3.69Å; Y353-F380 HydrophobicContact CE1-CD1 3.69Å; Y353-F380 HydrophobicContact CE1-CE1 4.18Å; Y353-F380 HydrophobicContact CE1-CG 4.38Å; Y353-F380 HydrophobicContact CE2-CB 4.34Å; Y353-F380 HydrophobicContact CG-CB 3.84Å; Y353-F380 AromaticContact CG-CD1 3.63Å; Y353-F380 HydrophobicContact CG-CD1 3.63Å; Y353-F380 HydrophobicContact CG-CD2 4.03Å; Y353-F380 HydrophobicContact CG-CE1 4.15Å; Y353-F380 AromaticContact CG-CG 3.56Å; Y353-F380 HydrophobicContact CG-CG 3.56Å; Y353-M391 HydrophobicContact CD1-CE 3.64Å; Y353-M391 HydrophobicContact CE1-CE 4Å; Y353-R496 CarbonylContact O-C 3.57Å; Y353-R496 WeakPolarHBondContact O-CA 3.43Å; Y353-C497 PolarHBondContact N-O 3.5Å; Y353-C497 PolarHBondContact O-N 2.94Å
354	I	96.6	Very high	93.2	Very high	80 Å²	80	58.9 Å²	58.9	41%	0.41	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	110	175.5	-59.2	176.9	0	0	0	107.9	L435 L494 R496	I354-L435 HydrophobicContact CG2-CD1 4.45Å; I354-L494 HydrophobicContact CG2-CD2 4.39Å; I354-R496 HydrophobicContact CG1-CB 4.35Å; I354-R496 HydrophobicContact CG1-CG 4.24Å
355	W	97.5	Very high	93.5	Very high	18 Å²	18	60.8 Å²	60.8	7%	0.068	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	117.9	175.4	-178.5	23.4	0	0	0	110.1	Y353 I357 I375 H376 S377 M391 L393 V495	Y353-W355 HydrophobicContact CD1-CB 4.39Å; Y353-W355 HydrophobicContact CE1-CB 3.84Å; Y353-W355 HydrophobicContact CE1-CG 4.46Å; W355-I357 HydrophobicContact CD2-CD1 3.79Å; W355-I357 HydrophobicContact CD2-CG1 3.65Å; W355-I357 HydrophobicContact CE3-CD1 3.73Å; W355-I357 HydrophobicContact CE3-CG1 4.15Å; W355-I357 HydrophobicContact CG-CG1 4Å; W355-I357 HydrophobicContact CH2-CD1 3.92Å; W355-I357 HydrophobicContact CH2-CG1 4.42Å; W355-I357 HydrophobicContact CZ2-CD1 3.94Å; W355-I357 HydrophobicContact CZ2-CG1 3.94Å; W355-I357 HydrophobicContact CZ3-CD1 3.81Å; W355-I375 HydrophobicContact CH2-CB 4.29Å; W355-I375 HydrophobicContact CH2-CD1 3.85Å; W355-I375 HydrophobicContact CH2-CG1 3.79Å; W355-I375 HydrophobicContact CZ2-CB 4.34Å; W355-I375 HydrophobicContact CZ2-CD1 3.9Å; W355-I375 HydrophobicContact CZ2-CG1 4.14Å; W355-H376 VanDerWaalsContact CZ2-C 3.42Å; W355-S377 VanDerWaalsContact CD2-CB 3.47Å; W355-M391 HydrophobicContact CB-CE 3.5Å; W355-M391 HydrophobicContact CD2-CE 4.41Å; W355-M391 HydrophobicContact CE3-CB 3.95Å; W355-M391 HydrophobicContact CE3-CE 4Å; W355-M391 HydrophobicContact CE3-SD 4.44Å; W355-M391 HydrophobicContact CG-CE 4.29Å; W355-M391 HydrophobicContact CZ3-CB 3.98Å; W355-L393 HydrophobicContact CH2-CB 3.94Å; W355-L393 HydrophobicContact CZ3-CB 3.79Å; W355-V495 HydrophobicContact CB-CB 4.42Å; W355-V495 HydrophobicContact CE3-CB 4.3Å; W355-V495 PolarHBondContact N-O 3.02Å; W355-V495 PolarHBondContact O-N 3.3Å
356	K	97.1	Very high	94	Very high	158 Å²	158	56.7 Å²	56.7	69%	0.687	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	117.4	172.7	-56.1	-172.6	175.8	175.9	0	109.2	T492 L494	K356-T492 HydrophobicContact CB-CG2 4.3Å; K356-L494 HydrophobicContact CB-CD2 4.06Å; K356-L494 HydrophobicContact CD-CD2 4.45Å; K356-L494 HydrophobicContact CG-CD2 3.62Å
357	I	98	Very high	94.5	Very high	8 Å²	8	56.3 Å²	56.3	4%	0.041	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	91.5	178.2	-48.9	174.4	0	0	0	107.2	W355 F360 I375 L393 T492 L493 V495	W355-I357 HydrophobicContact CD2-CD1 3.79Å; W355-I357 HydrophobicContact CD2-CG1 3.65Å; W355-I357 HydrophobicContact CE3-CD1 3.73Å; W355-I357 HydrophobicContact CE3-CG1 4.15Å; W355-I357 HydrophobicContact CG-CG1 4Å; W355-I357 HydrophobicContact CH2-CD1 3.92Å; W355-I357 HydrophobicContact CH2-CG1 4.42Å; W355-I357 HydrophobicContact CZ2-CD1 3.94Å; W355-I357 HydrophobicContact CZ2-CG1 3.94Å; W355-I357 HydrophobicContact CZ3-CD1 3.81Å; I357-F360 HydrophobicContact CB-CD2 4.23Å; I357-F360 HydrophobicContact CG2-CD2 3.75Å; I357-F360 HydrophobicContact CG2-CE2 4.31Å; I357-I375 HydrophobicContact CD1-CD1 3.97Å; I357-I375 HydrophobicContact CG1-CD1 4.45Å; I357-I375 HydrophobicContact CG2-CD1 3.53Å; I357-L393 HydrophobicContact CD1-CD1 3.77Å; I357-T492 CarbonylContact O-C 3.59Å; I357-T492 VanDerWaalsContact O-CA 3.28Å; I357-T492 WeakPolarHBondContact O-CA 3.28Å; I357-L493 HydrophobicContact CB-CB 4.37Å; I357-L493 HydrophobicContact CD1-CD2 4.41Å; I357-L493 PolarHBondContact N-O 2.94Å; I357-L493 PolarHBondContact O-N 2.98Å; I357-V495 HydrophobicContact CD1-CG2 3.77Å
358	G	97.2	Very high	94.9	Very high	34 Å²	34	61 Å²	61	35%	0.351	32%	0.315	S	S	.	.			trans	-74.4	170.7	174.6	0	0	0	0	0	112.2	F360 D491	G358-F360 PolarHBondContact O-N 3.1Å; G358-D491 CarbonylContact C-O 3.55Å
359	N	96.9	Very high	95.5	Very high	97 Å²	97	58.9 Å²	58.9	52%	0.519	31%	0.305	S	S	.	.	S	Bend	trans	52.8	35.7	-177.5	-59.8	-33.7	0	0	0	112.9	G361 M362 D491	N359-G361 VanDerWaalsContact C-N 3.26Å; N359-G361 PolarHBondContact O-N 3.45Å; N359-M362 HydrophobicContact CB-CE 4.43Å; N359-M362 VanDerWaalsContact O-CB 3.29Å; N359-M362 WeakPolarHBondContact O-CB 3.44Å; N359-M362 PolarHBondContact O-N 2.78Å; N359-M362 VanDerWaalsContact O-N 3.08Å; N359-D491 VanDerWaalsContact CA-OD2 3.24Å; N359-D491 WeakPolarHBondContact CA-OD2 3.38Å; N359-D491 PolarHBondContact N-O 3.3Å
360	F	97.9	Very high	96.1	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-66.8	-28.4	-171.2	-162.1	-97.8	0	0	0	112.7	I357 G358 M362 H363 L364 L393 L395 L482 I488 D491 L493	I357-F360 HydrophobicContact CB-CD2 4.23Å; I357-F360 HydrophobicContact CG2-CD2 3.75Å; I357-F360 HydrophobicContact CG2-CE2 4.31Å; G358-F360 PolarHBondContact O-N 3.1Å; F360-M362 VanDerWaalsContact C-N 3.27Å; F360-M362 PolarHBondContact O-N 2.94Å; F360-H363 WeakPolarHBondContact O-CA 3.45Å; F360-H363 WeakPolarHBondContact O-CB 3.37Å; F360-H363 PolarHBondContact O-N 3.07Å; F360-L364 HydrophobicContact CD1-CD1 3.99Å; F360-L364 HydrophobicContact CD1-CD2 4.45Å; F360-L364 HydrophobicContact CD1-CG 3.93Å; F360-L364 HydrophobicContact CE1-CD1 4.17Å; F360-L364 HydrophobicContact CE1-CD2 3.88Å; F360-L364 HydrophobicContact CE1-CG 3.87Å; F360-L364 PolarHBondContact O-N 3.35Å; F360-L393 HydrophobicContact CE2-CD1 4.41Å; F360-L395 HydrophobicContact CZ-CD1 4.37Å; F360-L395 HydrophobicContact CZ-CD2 4.11Å; F360-L482 HydrophobicContact CE1-CD1 3.99Å; F360-I488 HydrophobicContact CD1-CD1 3.57Å; F360-I488 HydrophobicContact CD1-CG1 4.04Å; F360-I488 HydrophobicContact CE1-CD1 4.05Å; F360-D491 PolarHBondContact N-O 3.35Å; F360-D491 PolarHBondContact N-OD1 2.75Å; F360-L493 HydrophobicContact CB-CB 4.44Å; F360-L493 HydrophobicContact CD1-CB 4.34Å; F360-L493 HydrophobicContact CD2-CB 3.66Å; F360-L493 HydrophobicContact CD2-CD2 4.14Å; F360-L493 HydrophobicContact CE1-CD2 4.25Å; F360-L493 HydrophobicContact CE2-CB 3.94Å; F360-L493 HydrophobicContact CE2-CD2 3.49Å; F360-L493 VanDerWaalsContact CE2-CD2 3.49Å; F360-L493 HydrophobicContact CE2-CG 4.31Å; F360-L493 HydrophobicContact CG-CB 3.88Å; F360-L493 HydrophobicContact CZ-CB 4.38Å; F360-L493 HydrophobicContact CZ-CD2 3.55Å; F360-L493 HydrophobicContact CZ-CG 4.45Å
361	G	96.9	Very high	96.5	Very high	30 Å²	30	60.2 Å²	60.2	31%	0.309	30%	0.303	S	S	.	.	H	α-helix	trans	-60.3	-34.9	172.5	0	0	0	0	0	112.6	N359 H363 L364 K365 D491	N359-G361 VanDerWaalsContact C-N 3.26Å; N359-G361 PolarHBondContact O-N 3.45Å; G361-H363 VanDerWaalsContact C-N 3.33Å; G361-H363 PolarHBondContact O-N 3.08Å; G361-L364 PolarHBondContact O-N 2.95Å; G361-K365 WeakPolarHBondContact O-CB 3.35Å; G361-K365 PolarHBondContact O-N 3.28Å; G361-D491 WeakPolarHBondContact CA-OD1 3.44Å; G361-D491 PolarHBondContact N-OD1 3.49Å
362	M	97.9	Very high	96.6	Very high	101 Å²	101	65.2 Å²	65.2	50%	0.498	34%	0.335	S	S	.	.	H	α-helix	trans	-63.4	-41.2	172.4	-177.3	-175.6	64	0	0	111.2	N359 F360 K365 C366	N359-M362 HydrophobicContact CB-CE 4.43Å; N359-M362 VanDerWaalsContact O-CB 3.29Å; N359-M362 WeakPolarHBondContact O-CB 3.44Å; N359-M362 PolarHBondContact O-N 2.78Å; N359-M362 VanDerWaalsContact O-N 3.08Å; F360-M362 VanDerWaalsContact C-N 3.27Å; F360-M362 PolarHBondContact O-N 2.94Å; M362-K365 PolarHBondContact O-N 2.9Å; M362-C366 WeakPolarHBondContact O-CB 3.34Å; M362-C366 PolarHBondContact O-N 3.3Å; M362-C366 PolarHBondContact O-SG 2.83Å; M362-C366 VanDerWaalsContact O-SG 3.41Å
363	H	97.9	Very high	96.7	Very high	32 Å²	32	62 Å²	62	15%	0.148	32%	0.319	C	S	.	.	H	α-helix	trans	-65.3	-42.9	176.4	-66.8	-46.4	0	0	0	112.1	F360 G361 C366 Q367 V373 L395	F360-H363 WeakPolarHBondContact O-CA 3.45Å; F360-H363 WeakPolarHBondContact O-CB 3.37Å; F360-H363 PolarHBondContact O-N 3.07Å; G361-H363 VanDerWaalsContact C-N 3.33Å; G361-H363 PolarHBondContact O-N 3.08Å; H363-C366 PolarHBondContact O-N 3.19Å; H363-Q367 PolarHBondContact O-N 2.75Å; H363-V373 HydrophobicContact CB-CG1 3.92Å; H363-V373 WeakPolarHBondContact O-CG2 3.48Å; H363-L395 HydrophobicContact CB-CD1 3.94Å
364	L	97.7	Very high	96.7	Very high	37 Å²	37	63.6 Å²	63.6	19%	0.194	33%	0.333	C	S	.	.	H	α-helix	trans	-60.1	-47.8	174.2	-69.7	174	0	0	0	111.4	F360 G361 C366 Q367 E368 L395 L479 L482 I488	F360-L364 HydrophobicContact CD1-CD1 3.99Å; F360-L364 HydrophobicContact CD1-CD2 4.45Å; F360-L364 HydrophobicContact CD1-CG 3.93Å; F360-L364 HydrophobicContact CE1-CD1 4.17Å; F360-L364 HydrophobicContact CE1-CD2 3.88Å; F360-L364 HydrophobicContact CE1-CG 3.87Å; F360-L364 PolarHBondContact O-N 3.35Å; G361-L364 PolarHBondContact O-N 2.95Å; L364-C366 PolarHBondContact O-N 3.29Å; L364-Q367 PolarHBondContact O-N 3.04Å; L364-Q367 VanDerWaalsContact O-N 3.12Å; L364-E368 WeakPolarHBondContact O-CG 3.45Å; L364-E368 PolarHBondContact O-N 3.16Å; L364-L395 HydrophobicContact CD2-CD1 4.29Å; L364-L479 HydrophobicContact CD2-CD1 4.44Å; L364-L479 HydrophobicContact CD2-CD2 3.64Å; L364-L482 HydrophobicContact CD2-CD1 4.16Å; L364-I488 HydrophobicContact CD1-CD1 3.89Å
365	K	97.6	Very high	96.8	Very high	125 Å²	125	61.3 Å²	61.3	54%	0.543	32%	0.321	S	S	.	.	H	α-helix	trans	-59.9	-43.8	178	-174.1	-179.9	178.6	-176.4	0	112.4	G361 M362 Q367 E368 E369	G361-K365 WeakPolarHBondContact O-CB 3.35Å; G361-K365 PolarHBondContact O-N 3.28Å; M362-K365 PolarHBondContact O-N 2.9Å; K365-Q367 VanDerWaalsContact C-N 3.31Å; K365-Q367 PolarHBondContact O-N 3.29Å; K365-E368 PolarHBondContact O-N 2.93Å; K365-E369 WeakPolarHBondContact CE-OE1 3.47Å; K365-E369 WeakPolarHBondContact O-CG 3.48Å; K365-E369 PolarHBondContact O-N 2.84Å
366	C	97.6	Very high	96.8	Very high	37 Å²	37	63.6 Å²	63.6	25%	0.25	33%	0.332	C	S	.	.	H	α-helix	trans	-59.7	-42.7	175	-78.5	0	0	0	0	111.9	M362 H363 L364 E369 K371 V373	M362-C366 WeakPolarHBondContact O-CB 3.34Å; M362-C366 PolarHBondContact O-N 3.3Å; M362-C366 PolarHBondContact O-SG 2.83Å; M362-C366 VanDerWaalsContact O-SG 3.41Å; H363-C366 PolarHBondContact O-N 3.19Å; L364-C366 PolarHBondContact O-N 3.29Å; C366-E369 PolarHBondContact O-N 3.41Å; C366-K371 HydrophobicContact CB-CB 4.25Å; C366-K371 WeakPolarHBondContact O-CA 3.48Å; C366-K371 VanDerWaalsContact O-CB 3.24Å; C366-K371 WeakPolarHBondContact O-CB 3.23Å; C366-K371 PolarHBondContact O-N 2.9Å; C366-V373 HydrophobicContact CB-CG2 3.66Å
367	Q	97	Very high	96.8	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.019	30%	0.303	C	S	.	.	H	α-helix	trans	-65.7	-40.1	177.2	-179.9	-88	-14.5	0	0	112.3	H363 L364 K365 E369 E370 V373 L395 Q396 L397 P398 N405 L479	H363-Q367 PolarHBondContact O-N 2.75Å; L364-Q367 PolarHBondContact O-N 3.04Å; L364-Q367 VanDerWaalsContact O-N 3.12Å; K365-Q367 VanDerWaalsContact C-N 3.31Å; K365-Q367 PolarHBondContact O-N 3.29Å; Q367-E369 VanDerWaalsContact C-N 3.27Å; Q367-E369 PolarHBondContact O-N 3.5Å; Q367-E370 PolarHBondContact O-N 3.13Å; Q367-E370 VanDerWaalsContact O-N 3.09Å; Q367-V373 HydrophobicContact CB-CG2 4.09Å; Q367-L395 HydrophobicContact CB-CB 3.93Å; Q367-L395 HydrophobicContact CB-CD1 4.2Å; Q367-L395 HydrophobicContact CG-CB 3.77Å; Q367-Q396 PolarHBondContact NE2-O 3.38Å; Q367-L397 HydrophobicContact CG-CD2 4.45Å; Q367-P398 VanDerWaalsContact O-CD 3.25Å; Q367-P398 WeakPolarHBondContact O-CD 3.41Å; Q367-N405 PolarHBondContact NE2-OD1 3.4Å; Q367-L479 HydrophobicContact CG-CD1 4.46Å
368	E	96	Very high	96.6	Very high	126 Å²	126	60 Å²	60	59%	0.589	33%	0.326	S	S	*	.	H	α-helix	trans	-62.2	-34.3	174.4	-72.6	176.9	170.2	0	0	112.3	L364 K365 E370	L364-E368 WeakPolarHBondContact O-CG 3.45Å; L364-E368 PolarHBondContact O-N 3.16Å; K365-E368 PolarHBondContact O-N 2.93Å; E368-E370 PolarHBondContact O-N 2.85Å
369	E	96.9	Very high	96.5	Very high	89 Å²	89	59.1 Å²	59.1	42%	0.416	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	14.1	174.2	-68.9	175.5	-177	0	0	113.6	K365 C366 Q367 K371	K365-E369 WeakPolarHBondContact CE-OE1 3.47Å; K365-E369 WeakPolarHBondContact O-CG 3.48Å; K365-E369 PolarHBondContact O-N 2.84Å; C366-E369 PolarHBondContact O-N 3.41Å; Q367-E369 VanDerWaalsContact C-N 3.27Å; Q367-E369 PolarHBondContact O-N 3.5Å; E369-K371 HydrophobicContact CB-CD 4.31Å; E369-K371 HydrophobicContact CB-CG 4.29Å; E369-K371 PolarHBondContact O-N 2.94Å; E369-K371 VanDerWaalsContact OE2-CE 3.29Å; E369-K371 WeakPolarHBondContact OE2-CE 3.24Å; E369-K371 IonicContact OE2-NZ 3.73Å; E369-K371 PolarHBondContact OE2-NZ 2.73Å
370	E	95.7	Very high	96.4	Very high	70 Å²	70	54.5 Å²	54.5	33%	0.327	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	21.2	-176.4	-64.6	-75.3	161.1	0	0	113.9	Q367 E368 L397 P398 T399	Q367-E370 PolarHBondContact O-N 3.13Å; Q367-E370 VanDerWaalsContact O-N 3.09Å; E368-E370 PolarHBondContact O-N 2.85Å; E370-L397 WeakPolarHBondContact OE2-CB 3.32Å; E370-P398 WeakPolarHBondContact OE1-CB 3.42Å; E370-P398 VanDerWaalsContact OE1-CD 3.26Å; E370-P398 WeakPolarHBondContact OE1-CD 3.49Å; E370-P398 WeakPolarHBondContact OE1-CG 3.12Å; E370-T399 VanDerWaalsContact CD-CG2 3.46Å; E370-T399 WeakPolarHBondContact OE1-CG2 3.19Å; E370-T399 PolarHBondContact OE1-N 3.29Å; E370-T399 VanDerWaalsContact OE1-N 3.14Å; E370-T399 WeakPolarHBondContact OE2-CB 3.49Å; E370-T399 WeakPolarHBondContact OE2-CG2 3.27Å; E370-T399 PolarHBondContact OE2-OG1 2.95Å
371	K	95.2	Very high	96.2	Very high	103 Å²	103	54.9 Å²	54.9	45%	0.448	29%	0.294	S	S	.	.			trans	-88.4	135.8	176.6	-61.1	172.1	177.6	163.7	0	110.4	C366 E369 V373 L397	C366-K371 HydrophobicContact CB-CB 4.25Å; C366-K371 WeakPolarHBondContact O-CA 3.48Å; C366-K371 VanDerWaalsContact O-CB 3.24Å; C366-K371 WeakPolarHBondContact O-CB 3.23Å; C366-K371 PolarHBondContact O-N 2.9Å; E369-K371 HydrophobicContact CB-CD 4.31Å; E369-K371 HydrophobicContact CB-CG 4.29Å; E369-K371 PolarHBondContact O-N 2.94Å; E369-K371 VanDerWaalsContact OE2-CE 3.29Å; E369-K371 WeakPolarHBondContact OE2-CE 3.24Å; E369-K371 IonicContact OE2-NZ 3.73Å; E369-K371 PolarHBondContact OE2-NZ 2.73Å; K371-V373 PolarHBondContact O-N 3.14Å; K371-L397 VanDerWaalsContact O-CD2 3.3Å; K371-L397 WeakPolarHBondContact O-CD2 3.35Å
372	P	89.7	Confident	96.1	Very high	107 Å²	107	54.2 Å²	54.2	70%	0.695	28%	0.284	S	S	*	.			trans	-66.2	125.5	-179.2	26.8	-34	0	0	0	111.1
373	V	97.2	Very high	95.7	Very high	7 Å²	7	50 Å²	50	4%	0.042	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	97.7	178.6	-178.4	0	0	0	0	109.8	H363 C366 Q367 K371 H394 L395	H363-V373 HydrophobicContact CB-CG1 3.92Å; H363-V373 WeakPolarHBondContact O-CG2 3.48Å; C366-V373 HydrophobicContact CB-CG2 3.66Å; Q367-V373 HydrophobicContact CB-CG2 4.09Å; K371-V373 PolarHBondContact O-N 3.14Å; V373-H394 VanDerWaalsContact O-CA 3.27Å; V373-H394 WeakPolarHBondContact O-CA 3.35Å; V373-H394 PolarHBondContact O-CD2 3.28Å; V373-H394 VanDerWaalsContact O-CD2 3.24Å; V373-L395 HydrophobicContact CB-CB 4.04Å; V373-L395 HydrophobicContact CB-CD1 4.32Å; V373-L395 HydrophobicContact CB-CG 4.2Å; V373-L395 HydrophobicContact CG1-CB 4.38Å; V373-L395 HydrophobicContact CG1-CD1 3.96Å; V373-L395 HydrophobicContact CG1-CG 3.97Å; V373-L395 PolarHBondContact O-N 3.1Å
374	V	97.1	Very high	95.2	Very high	72 Å²	72	55 Å²	55	44%	0.436	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	116.7	176.4	-175.8	0	0	0	0	108.9	R392 L393 H394	V374-R392 HydrophobicContact CG1-CG 3.84Å; V374-L393 WeakPolarHBondContact CA-O 3.39Å; V374-H394 HydrophobicContact CG2-CB 4.32Å
375	I	97.3	Very high	94.8	Very high	32 Å²	32	56.9 Å²	56.9	16%	0.164	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	150.6	-178	52.3	166	0	0	0	110.7	W355 I357 R392 L393	W355-I375 HydrophobicContact CH2-CB 4.29Å; W355-I375 HydrophobicContact CH2-CD1 3.85Å; W355-I375 HydrophobicContact CH2-CG1 3.79Å; W355-I375 HydrophobicContact CZ2-CB 4.34Å; W355-I375 HydrophobicContact CZ2-CD1 3.9Å; W355-I375 HydrophobicContact CZ2-CG1 4.14Å; I357-I375 HydrophobicContact CD1-CD1 3.97Å; I357-I375 HydrophobicContact CG1-CD1 4.45Å; I357-I375 HydrophobicContact CG2-CD1 3.53Å; I375-R392 CarbonylContact O-C 3.6Å; I375-R392 WeakPolarHBondContact O-CA 3.42Å; I375-L393 HydrophobicContact CD1-CB 4.36Å; I375-L393 HydrophobicContact CD1-CD2 4.05Å; I375-L393 HydrophobicContact CG1-CB 3.96Å; I375-L393 HydrophobicContact CG1-CD2 3.94Å; I375-L393 PolarHBondContact N-O 3.04Å; I375-L393 PolarHBondContact O-N 3.37Å
376	H	97.7	Very high	94.6	Very high	66 Å²	66	51 Å²	51	31%	0.306	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	139.6	-178.7	-75.5	-92.1	0	0	0	110.3	W355 M391 R392	W355-H376 VanDerWaalsContact CZ2-C 3.42Å; H376-M391 CarbonylContact C-O 3.57Å; H376-M391 VanDerWaalsContact CA-O 3.32Å; H376-M391 WeakPolarHBondContact CA-O 3.47Å; H376-R392 VanDerWaalsContact CE1-CD 3.46Å; H376-R392 WeakPolarHBondContact CE1-CD 2.8Å; H376-R392 VanDerWaalsContact CE1-CG 3.47Å; H376-R392 WeakPolarHBondContact CE1-CG 3.5Å
377	S	97	Very high	94.4	Very high	9 Å²	9	49.4 Å²	49.4	6%	0.063	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-72.8	159.2	168.8	79.7	0	0	0	0	110.5	W355 M391	W355-S377 VanDerWaalsContact CD2-CB 3.47Å; S377-M391 PolarHBondContact N-O 2.73Å; S377-M391 PolarHBondContact OG-N 3.27Å
378	P	94.7	Very high	94.3	Very high	81 Å²	81	51.9 Å²	51.9	53%	0.526	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-51	155.2	157.8	-24.8	34.5	0	0	0	111.6	Y353	Y353-P378 WeakPolarHBondContact OH-CD 3.36Å
379	G	94.2	Very high	94.3	Very high	17 Å²	17	46 Å²	46	18%	0.175	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-73.3	136.2	172.6	0	0	0	0	0	110.5	A346 L389	A346-G379 WeakPolarHBondContact CB-O 3.45Å; G379-L389 CarbonylContact C-O 3.59Å; G379-L389 VanDerWaalsContact CA-O 3.25Å; G379-L389 WeakPolarHBondContact CA-O 3.37Å
380	F	95.5	Very high	94.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	157.3	177.9	61.2	-87.8	0	0	0	110.3	C349 Y353 K388 L389 M391 C497	C349-F380 HydrophobicContact CB-CB 4.45Å; Y353-F380 HydrophobicContact CD1-CB 4.23Å; Y353-F380 AromaticContact CD1-CD1 3.21Å; Y353-F380 HydrophobicContact CD1-CD1 3.21Å; Y353-F380 HydrophobicContact CD1-CD2 4.36Å; Y353-F380 AromaticContact CD1-CE1 3.51Å; Y353-F380 HydrophobicContact CD1-CE1 3.51Å; Y353-F380 AromaticContact CD1-CG 3.69Å; Y353-F380 HydrophobicContact CD1-CG 3.69Å; Y353-F380 HydrophobicContact CD1-CZ 4.21Å; Y353-F380 HydrophobicContact CD2-CB 3.92Å; Y353-F380 HydrophobicContact CD2-CD1 4.42Å; Y353-F380 HydrophobicContact CD2-CG 4.17Å; Y353-F380 AromaticContact CE1-CD1 3.69Å; Y353-F380 HydrophobicContact CE1-CD1 3.69Å; Y353-F380 HydrophobicContact CE1-CE1 4.18Å; Y353-F380 HydrophobicContact CE1-CG 4.38Å; Y353-F380 HydrophobicContact CE2-CB 4.34Å; Y353-F380 HydrophobicContact CG-CB 3.84Å; Y353-F380 AromaticContact CG-CD1 3.63Å; Y353-F380 HydrophobicContact CG-CD1 3.63Å; Y353-F380 HydrophobicContact CG-CD2 4.03Å; Y353-F380 HydrophobicContact CG-CE1 4.15Å; Y353-F380 AromaticContact CG-CG 3.56Å; Y353-F380 HydrophobicContact CG-CG 3.56Å; F380-K388 CarbonylContact O-C 3.45Å; F380-K388 WeakPolarHBondContact O-CA 3.49Å; F380-L389 VanDerWaalsContact CD1-O 3.29Å; F380-L389 WeakPolarHBondContact CD1-O 3.27Å; F380-L389 HydrophobicContact CE1-CB 4.32Å; F380-L389 HydrophobicContact CE2-CB 4.04Å; F380-L389 HydrophobicContact CE2-CD1 4.39Å; F380-L389 HydrophobicContact CZ-CB 3.9Å; F380-L389 PolarHBondContact N-O 3.47Å; F380-L389 PolarHBondContact O-N 3.42Å; F380-M391 HydrophobicContact CE1-CE 4.31Å; F380-M391 HydrophobicContact CE1-CG 4.38Å; F380-C497 HydrophobicContact CE2-CB 4.5Å; F380-C497 HydrophobicContact CZ-CB 3.97Å
381	Y	94.4	Very high	94.4	Very high	8 Å²	8	38.4 Å²	38.4	3%	0.031	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	144.6	-178.3	-74.7	-86.1	0	0	0	112.5	A346 Q347 G383 G386 Y387 K388 E417 Y418	A346-Y381 HydrophobicContact CB-CD2 4.47Å; A346-Y381 PolarHBondContact O-N 2.86Å; Q347-Y381 HydrophobicContact CG-CD2 3.81Å; Q347-Y381 HydrophobicContact CG-CE2 4Å; Y381-G383 PolarHBondContact O-N 3.23Å; Y381-G386 WeakPolarHBondContact CD1-O 3.18Å; Y381-Y387 WeakPolarHBondContact CA-O 3.36Å; Y381-K388 HydrophobicContact CD1-CB 3.98Å; Y381-K388 HydrophobicContact CD1-CG 4.38Å; Y381-K388 HydrophobicContact CE1-CB 3.62Å; Y381-K388 HydrophobicContact CE1-CD 4.35Å; Y381-K388 HydrophobicContact CE1-CG 4.04Å; Y381-K388 HydrophobicContact CE2-CD 4.2Å; Y381-K388 HydrophobicContact CE2-CG 4.18Å; Y381-E417 PolarHBondContact OH-N 3.07Å; Y381-Y418 HydrophobicContact CD1-CD2 4.38Å; Y381-Y418 HydrophobicContact CE1-CD2 4.15Å; Y381-Y418 HydrophobicContact CE1-CE2 4.35Å
382	T	93.5	Very high	94.5	Very high	15 Å²	15	36.6 Å²	36.6	9%	0.092	20%	0.203	C	C	.	.	S	Bend	trans	-73.1	-6.4	173.3	66.5	0	0	0	0	113.5	N350 G351 Y387 L389 V499	N350-T382 CarbonylContact C-O 3.59Å; G351-T382 PolarHBondContact N-O 3.39Å; T382-Y387 PolarHBondContact N-O 2.79Å; T382-Y387 PolarHBondContact OG1-N 3.08Å; T382-L389 HydrophobicContact CG2-CD1 3.62Å; T382-L389 HydrophobicContact CG2-CG 4.22Å; T382-V499 HydrophobicContact CG2-CB 3.96Å; T382-V499 HydrophobicContact CG2-CG1 3.73Å; T382-V499 HydrophobicContact CG2-CG2 4.38Å
383	G	90.2	Very high	94.9	Very high	12 Å²	12	31.5 Å²	31.5	12%	0.124	17%	0.17	C	C	.	.	S	Bend	trans	159.2	-175.3	-175.9	0	0	0	0	0	111.2	Y381 P385 G386	Y381-G383 PolarHBondContact O-N 3.23Å; G383-P385 VanDerWaalsContact C-C 3.48Å; G383-P385 CarbonylContact C-O 3.45Å; G383-P385 CarbonylContact O-C 3.51Å; G383-G386 WeakPolarHBondContact O-CA 3.42Å; G383-G386 PolarHBondContact O-N 3.22Å; G383-G386 VanDerWaalsContact O-N 3.13Å
384	K	87.5	Confident	95	Very high	138 Å²	138	33.1 Å²	33.1	60%	0.6	18%	0.178	S	C	*	.	S	Bend	trans	-131.3	100.6	177.1	-169.9	166.2	-176.5	161.9	0	110.7	Y418	K384-Y418 WeakPolarHBondContact CE-OH 3.44Å; K384-Y418 HydrophobicContact CG-CE2 4.31Å
385	P	89.8	Confident	95	Very high	77 Å²	77	29.7 Å²	29.7	50%	0.5	16%	0.157	S	C	.	.	S	Bend	cis	-71.1	155.2	-1.8	31.7	-35.7	0	0	0	112.6	G383 Y418 L422	G383-P385 VanDerWaalsContact C-C 3.48Å; G383-P385 CarbonylContact C-O 3.45Å; G383-P385 CarbonylContact O-C 3.51Å; P385-Y418 HydrophobicContact CB-CD1 3.72Å; P385-Y418 HydrophobicContact CB-CD2 4.05Å; P385-Y418 HydrophobicContact CB-CE1 4.44Å; P385-Y418 HydrophobicContact CB-CG 3.52Å; P385-L422 HydrophobicContact CB-CD2 4.47Å
386	G	92.2	Very high	95	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.154	C	C	.	.			trans	-168.6	167.5	-179.2	0	0	0	0	0	113.1	Y381 G383 L422	Y381-G386 WeakPolarHBondContact CD1-O 3.18Å; G383-G386 WeakPolarHBondContact O-CA 3.42Å; G383-G386 PolarHBondContact O-N 3.22Å; G383-G386 VanDerWaalsContact O-N 3.13Å; G386-L422 WeakPolarHBondContact O-CD1 3.15Å
387	Y	94.3	Very high	95	Very high	5 Å²	5	27.9 Å²	27.9	2%	0.02	15%	0.149	C	C	.	.			trans	-76.9	141.3	-179.9	-55.6	-91	0	0	0	109.9	Y381 T382 L422 P423 W424 F426 T501	Y381-Y387 WeakPolarHBondContact CA-O 3.36Å; T382-Y387 PolarHBondContact N-O 2.79Å; T382-Y387 PolarHBondContact OG1-N 3.08Å; Y387-L422 HydrophobicContact CD1-CB 4.38Å; Y387-L422 HydrophobicContact CD1-CD1 3.84Å; Y387-L422 HydrophobicContact CD2-CD1 4.35Å; Y387-L422 HydrophobicContact CE1-CB 3.75Å; Y387-L422 HydrophobicContact CE1-CD1 4.03Å; Y387-L422 HydrophobicContact CE1-CG 4.4Å; Y387-L422 HydrophobicContact CE2-CD2 4.39Å; Y387-L422 HydrophobicContact CG-CD1 4.02Å; Y387-P423 WeakPolarHBondContact CE1-O 3.43Å; Y387-P423 WeakPolarHBondContact OH-CD 3.15Å; Y387-P423 WeakPolarHBondContact OH-CG 3.19Å; Y387-P423 PolarHBondContact OH-O 2.88Å; Y387-W424 AromaticContact CD1-CH2 3.62Å; Y387-W424 HydrophobicContact CD1-CH2 3.62Å; Y387-W424 AromaticContact CD1-CZ2 3.68Å; Y387-W424 HydrophobicContact CD1-CZ2 3.68Å; Y387-W424 HydrophobicContact CD1-CZ3 4.09Å; Y387-W424 HydrophobicContact CE1-CD2 4.23Å; Y387-W424 HydrophobicContact CE1-CE3 4.34Å; Y387-W424 HydrophobicContact CE1-CH2 4.13Å; Y387-W424 AromaticContact CE1-CZ2 3.98Å; Y387-W424 HydrophobicContact CE1-CZ2 3.98Å; Y387-W424 HydrophobicContact CE1-CZ3 4.29Å; Y387-F426 HydrophobicContact CD1-CB 4.36Å; Y387-F426 HydrophobicContact CD1-CD2 4.01Å; Y387-F426 AromaticContact CD2-CD2 3.53Å; Y387-F426 HydrophobicContact CD2-CD2 3.53Å; Y387-F426 AromaticContact CD2-CE2 3.83Å; Y387-F426 HydrophobicContact CD2-CE2 3.83Å; Y387-F426 HydrophobicContact CE1-CB 4.23Å; Y387-F426 HydrophobicContact CE1-CD2 4.1Å; Y387-F426 AromaticContact CE2-CD2 3.66Å; Y387-F426 HydrophobicContact CE2-CD2 3.66Å; Y387-F426 HydrophobicContact CE2-CE2 4.12Å; Y387-F426 AromaticContact CG-CD2 3.72Å; Y387-F426 HydrophobicContact CG-CD2 3.72Å; Y387-F426 HydrophobicContact CG-CE2 4.3Å; Y387-F426 AromaticContact CZ-CD2 3.93Å; Y387-T501 HydrophobicContact CD2-CG2 3.92Å; Y387-T501 HydrophobicContact CE2-CG2 3.82Å
388	K	95	Very high	94.9	Very high	56 Å²	56	29.7 Å²	29.7	24%	0.243	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	128.3	172.5	-161.4	-179.6	-171.1	170.7	0	110	F380 Y381 M414 Q415	F380-K388 CarbonylContact O-C 3.45Å; F380-K388 WeakPolarHBondContact O-CA 3.49Å; Y381-K388 HydrophobicContact CD1-CB 3.98Å; Y381-K388 HydrophobicContact CD1-CG 4.38Å; Y381-K388 HydrophobicContact CE1-CB 3.62Å; Y381-K388 HydrophobicContact CE1-CD 4.35Å; Y381-K388 HydrophobicContact CE1-CG 4.04Å; Y381-K388 HydrophobicContact CE2-CD 4.2Å; Y381-K388 HydrophobicContact CE2-CG 4.18Å; K388-M414 HydrophobicContact CB-CB 4.08Å; K388-M414 HydrophobicContact CD-CB 4.06Å; K388-M414 HydrophobicContact CG-CB 3.99Å; K388-M414 PolarHBondContact O-N 3.36Å; K388-Q415 WeakPolarHBondContact CD-O 3.36Å
389	L	95.6	Very high	94.8	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	156.5	-178.1	-56.8	176.4	0	0	0	110.3	G379 F380 T382 V411 H412 T413 V499	G379-L389 CarbonylContact C-O 3.59Å; G379-L389 VanDerWaalsContact CA-O 3.25Å; G379-L389 WeakPolarHBondContact CA-O 3.37Å; F380-L389 VanDerWaalsContact CD1-O 3.29Å; F380-L389 WeakPolarHBondContact CD1-O 3.27Å; F380-L389 HydrophobicContact CE1-CB 4.32Å; F380-L389 HydrophobicContact CE2-CB 4.04Å; F380-L389 HydrophobicContact CE2-CD1 4.39Å; F380-L389 HydrophobicContact CZ-CB 3.9Å; F380-L389 PolarHBondContact N-O 3.47Å; F380-L389 PolarHBondContact O-N 3.42Å; T382-L389 HydrophobicContact CG2-CD1 3.62Å; T382-L389 HydrophobicContact CG2-CG 4.22Å; L389-V411 HydrophobicContact CB-CG1 4.14Å; L389-V411 HydrophobicContact CD1-CG1 4.16Å; L389-V411 HydrophobicContact CD2-CG1 4.2Å; L389-V411 HydrophobicContact CG-CG1 4.4Å; L389-H412 CarbonylContact C-O 3.59Å; L389-H412 VanDerWaalsContact CA-O 3.27Å; L389-H412 WeakPolarHBondContact CA-O 3.07Å; L389-T413 HydrophobicContact CD2-CG2 3.82Å; L389-V499 HydrophobicContact CD1-CG1 4.37Å; L389-V499 HydrophobicContact CD1-CG2 3.79Å
390	C	96.5	Very high	94.6	Very high	1 Å²	1	31 Å²	31	1%	0.007	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	157.1	161.5	67.6	0	0	0	0	110.5	V411 H412 M414 R466	C390-V411 WeakPolarHBondContact O-CA 3.46Å; C390-H412 PolarHBondContact N-O 2.92Å; C390-H412 PolarHBondContact O-N 2.92Å; C390-M414 HydrophobicContact CB-CG 4.4Å; C390-M414 HydrophobicContact CB-SD 3.57Å; C390-M414 VanDerWaalsContact CB-SD 3.57Å; C390-R466 WeakPolarHBondContact SG-CD 3.26Å
391	M	97.8	Very high	94.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	152.9	170.4	-71.3	178.5	-75.3	0	0	111.4	Y353 W355 H376 S377 F380 L409 F410 V411 L432 V495 C497	Y353-M391 HydrophobicContact CD1-CE 3.64Å; Y353-M391 HydrophobicContact CE1-CE 4Å; W355-M391 HydrophobicContact CB-CE 3.5Å; W355-M391 HydrophobicContact CD2-CE 4.41Å; W355-M391 HydrophobicContact CE3-CB 3.95Å; W355-M391 HydrophobicContact CE3-CE 4Å; W355-M391 HydrophobicContact CE3-SD 4.44Å; W355-M391 HydrophobicContact CG-CE 4.29Å; W355-M391 HydrophobicContact CZ3-CB 3.98Å; H376-M391 CarbonylContact C-O 3.57Å; H376-M391 VanDerWaalsContact CA-O 3.32Å; H376-M391 WeakPolarHBondContact CA-O 3.47Å; S377-M391 PolarHBondContact N-O 2.73Å; S377-M391 PolarHBondContact OG-N 3.27Å; F380-M391 HydrophobicContact CE1-CE 4.31Å; F380-M391 HydrophobicContact CE1-CG 4.38Å; M391-L409 HydrophobicContact CB-CD1 4.46Å; M391-F410 CarbonylContact C-O 3.57Å; M391-F410 VanDerWaalsContact CA-O 3.24Å; M391-F410 WeakPolarHBondContact CA-O 3.34Å; M391-V411 HydrophobicContact CG-CG2 4.29Å; M391-L432 HydrophobicContact CG-CD2 4.44Å; M391-L432 HydrophobicContact SD-CD2 4.04Å; M391-V495 HydrophobicContact CE-CG1 4.46Å; M391-V495 HydrophobicContact SD-CG1 3.74Å; M391-C497 HydrophobicContact CE-CB 4Å; M391-C497 HydrophobicContact CG-CB 4.28Å; M391-C497 HydrophobicContact SD-CB 3.58Å; M391-C497 VanDerWaalsContact SD-CB 3.58Å
392	R	97.9	Very high	94.2	Very high	64 Å²	64	49.3 Å²	49.3	24%	0.242	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	123.3	167.8	-176.4	-175.5	68.8	177.7	-0.2	108.8	V374 I375 H376 L409 F410	V374-R392 HydrophobicContact CG1-CG 3.84Å; I375-R392 CarbonylContact O-C 3.6Å; I375-R392 WeakPolarHBondContact O-CA 3.42Å; H376-R392 VanDerWaalsContact CE1-CD 3.46Å; H376-R392 WeakPolarHBondContact CE1-CD 2.8Å; H376-R392 VanDerWaalsContact CE1-CG 3.47Å; H376-R392 WeakPolarHBondContact CE1-CG 3.5Å; R392-L409 WeakPolarHBondContact O-CA 3.35Å; R392-F410 HydrophobicContact CB-CB 4.42Å; R392-F410 PolarHBondContact N-O 3.06Å; R392-F410 VanDerWaalsContact NH2-CD2 3.31Å; R392-F410 PolarHBondContact O-N 3.16Å
393	L	98.5	Very high	94.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	135.6	171.6	179.1	157	0	0	0	109.1	W355 I357 F360 V374 I375 L395 I407 S408 L409 L493 V495	W355-L393 HydrophobicContact CH2-CB 3.94Å; W355-L393 HydrophobicContact CZ3-CB 3.79Å; I357-L393 HydrophobicContact CD1-CD1 3.77Å; F360-L393 HydrophobicContact CE2-CD1 4.41Å; V374-L393 WeakPolarHBondContact CA-O 3.39Å; I375-L393 HydrophobicContact CD1-CB 4.36Å; I375-L393 HydrophobicContact CD1-CD2 4.05Å; I375-L393 HydrophobicContact CG1-CB 3.96Å; I375-L393 HydrophobicContact CG1-CD2 3.94Å; I375-L393 PolarHBondContact N-O 3.04Å; I375-L393 PolarHBondContact O-N 3.37Å; L393-L395 HydrophobicContact CD2-CD2 3.56Å; L393-L395 HydrophobicContact CD2-CG 3.89Å; L393-I407 HydrophobicContact CD1-CG2 3.74Å; L393-I407 HydrophobicContact CD2-CG2 4.36Å; L393-I407 HydrophobicContact CG-CG2 3.76Å; L393-S408 WeakPolarHBondContact CA-O 3.46Å; L393-L409 HydrophobicContact CB-CD1 4.15Å; L393-L493 HydrophobicContact CD1-CD2 4.09Å; L393-V495 HydrophobicContact CD1-CG2 4.4Å
394	H	97.6	Very high	94.5	Very high	42 Å²	42	50.2 Å²	50.2	19%	0.194	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.3	173.1	179	-165.1	0	0	0	108.7	V373 V374 Q396 S408	V373-H394 VanDerWaalsContact O-CA 3.27Å; V373-H394 WeakPolarHBondContact O-CA 3.35Å; V373-H394 PolarHBondContact O-CD2 3.28Å; V373-H394 VanDerWaalsContact O-CD2 3.24Å; V374-H394 HydrophobicContact CG2-CB 4.32Å; H394-Q396 PolarHBondContact CE1-NE2 3.27Å; H394-Q396 PolarHBondContact ND1-NE2 3.3Å; H394-Q396 VanDerWaalsContact ND1-NE2 3.11Å; H394-S408 PolarHBondContact N-O 3.45Å; H394-S408 PolarHBondContact O-N 3.45Å
395	L	98.2	Very high	94.9	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	111.4	168.2	-52.5	-175.8	0	0	0	108.6	F360 H363 L364 Q367 V373 L393 I407 L479	F360-L395 HydrophobicContact CZ-CD1 4.37Å; F360-L395 HydrophobicContact CZ-CD2 4.11Å; H363-L395 HydrophobicContact CB-CD1 3.94Å; L364-L395 HydrophobicContact CD2-CD1 4.29Å; Q367-L395 HydrophobicContact CB-CB 3.93Å; Q367-L395 HydrophobicContact CB-CD1 4.2Å; Q367-L395 HydrophobicContact CG-CB 3.77Å; V373-L395 HydrophobicContact CB-CB 4.04Å; V373-L395 HydrophobicContact CB-CD1 4.32Å; V373-L395 HydrophobicContact CB-CG 4.2Å; V373-L395 HydrophobicContact CG1-CB 4.38Å; V373-L395 HydrophobicContact CG1-CD1 3.96Å; V373-L395 HydrophobicContact CG1-CG 3.97Å; V373-L395 PolarHBondContact O-N 3.1Å; L393-L395 HydrophobicContact CD2-CD2 3.56Å; L393-L395 HydrophobicContact CD2-CG 3.89Å; L395-I407 HydrophobicContact CD2-CB 4.36Å; L395-I407 HydrophobicContact CD2-CG1 3.82Å; L395-I407 HydrophobicContact CD2-CG2 4.25Å; L395-L479 HydrophobicContact CD2-CD2 4.13Å
396	Q	96.6	Very high	95.3	Very high	22 Å²	22	45.9 Å²	45.9	10%	0.103	22%	0.223	C	C	.	.			trans	-69.6	131.5	-178.5	-64.4	-68.9	-22.1	0	0	110.3	Q367 H394 A400 C403 N405 Y406 S408	Q367-Q396 PolarHBondContact NE2-O 3.38Å; H394-Q396 PolarHBondContact CE1-NE2 3.27Å; H394-Q396 PolarHBondContact ND1-NE2 3.3Å; H394-Q396 VanDerWaalsContact ND1-NE2 3.11Å; Q396-A400 HydrophobicContact CB-CB 4.35Å; Q396-C403 WeakPolarHBondContact CB-O 3.4Å; Q396-C403 HydrophobicContact CG-CB 4.25Å; Q396-C403 WeakPolarHBondContact CG-O 3.44Å; Q396-C403 PolarHBondContact OE1-SG 3.37Å; Q396-N405 PolarHBondContact O-N 3.5Å; Q396-Y406 VanDerWaalsContact CB-O 3.24Å; Q396-Y406 WeakPolarHBondContact CB-O 3.44Å; Q396-Y406 VanDerWaalsContact CG-O 3.22Å; Q396-Y406 WeakPolarHBondContact CG-O 3.38Å; Q396-Y406 PolarHBondContact N-O 3.42Å; Q396-S408 WeakPolarHBondContact CG-OG 3.33Å; Q396-S408 PolarHBondContact NE2-OG 2.8Å
397	L	96.9	Very high	95.6	Very high	37 Å²	37	45.9 Å²	45.9	19%	0.194	22%	0.223	C	C	.	.			trans	-60.3	153.8	-177.3	-59.2	-177.7	0	0	0	112.7	Q367 E370 K371 T399 A400 A404	Q367-L397 HydrophobicContact CG-CD2 4.45Å; E370-L397 WeakPolarHBondContact OE2-CB 3.32Å; K371-L397 VanDerWaalsContact O-CD2 3.3Å; K371-L397 WeakPolarHBondContact O-CD2 3.35Å; L397-T399 PolarHBondContact O-N 3.49Å; L397-A400 HydrophobicContact CB-CB 4.48Å; L397-A400 WeakPolarHBondContact O-CB 3.41Å; L397-A400 PolarHBondContact O-N 3.47Å; L397-A404 WeakPolarHBondContact O-CA 3.48Å
398	P	94.9	Very high	95.8	Very high	47 Å²	47	45.6 Å²	45.6	31%	0.305	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-31.6	174.3	-20.9	31.5	0	0	0	113	Q367 E370 A400 A404 N405	Q367-P398 VanDerWaalsContact O-CD 3.25Å; Q367-P398 WeakPolarHBondContact O-CD 3.41Å; E370-P398 WeakPolarHBondContact OE1-CB 3.42Å; E370-P398 VanDerWaalsContact OE1-CD 3.26Å; E370-P398 WeakPolarHBondContact OE1-CD 3.49Å; E370-P398 WeakPolarHBondContact OE1-CG 3.12Å; P398-A400 VanDerWaalsContact C-N 3.32Å; P398-A400 PolarHBondContact O-N 3.1Å; P398-A404 VanDerWaalsContact O-CB 3.28Å; P398-A404 WeakPolarHBondContact O-CB 3.42Å; P398-N405 WeakPolarHBondContact CA-OD1 3.15Å
399	T	94.1	Very high	95.9	Very high	105 Å²	105	43 Å²	43	64%	0.644	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-6.8	174.4	58	0	0	0	0	115.2	E370 L397 Q401	E370-T399 VanDerWaalsContact CD-CG2 3.46Å; E370-T399 WeakPolarHBondContact OE1-CG2 3.19Å; E370-T399 PolarHBondContact OE1-N 3.29Å; E370-T399 VanDerWaalsContact OE1-N 3.14Å; E370-T399 WeakPolarHBondContact OE2-CB 3.49Å; E370-T399 WeakPolarHBondContact OE2-CG2 3.27Å; E370-T399 PolarHBondContact OE2-OG1 2.95Å; L397-T399 PolarHBondContact O-N 3.49Å; T399-Q401 PolarHBondContact O-N 3.27Å
400	A	90.4	Very high	95.9	Very high	22 Å²	22	44 Å²	44	18%	0.182	21%	0.214	C	C	.	.			trans	-66	124.7	-172.6	0	0	0	0	0	112.5	Q396 L397 P398 R402 A404	Q396-A400 HydrophobicContact CB-CB 4.35Å; L397-A400 HydrophobicContact CB-CB 4.48Å; L397-A400 WeakPolarHBondContact O-CB 3.41Å; L397-A400 PolarHBondContact O-N 3.47Å; P398-A400 VanDerWaalsContact C-N 3.32Å; P398-A400 PolarHBondContact O-N 3.1Å; A400-R402 PolarHBondContact O-N 3.29Å; A400-A404 WeakPolarHBondContact O-CB 3.37Å; A400-A404 PolarHBondContact O-N 3.02Å; A400-A404 VanDerWaalsContact O-N 3.09Å
401	Q	91.1	Very high	95.9	Very high	164 Å²	164	44 Å²	44	77%	0.766	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	124.3	-178.5	-156.4	-174.2	-2.6	0	0	110.8	T399 C403	T399-Q401 PolarHBondContact O-N 3.27Å; Q401-C403 PolarHBondContact O-N 3.37Å; Q401-C403 VanDerWaalsContact O-N 3.15Å
402	R	89.9	Confident	95.9	Very high	227 Å²	227	44.2 Å²	44.2	86%	0.857	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.5	-15.1	176.9	-49	178.4	179.3	-83.2	-1.6	117	A400	A400-R402 PolarHBondContact O-N 3.29Å
403	C	93.3	Very high	95.7	Very high	16 Å²	16	41.3 Å²	41.3	11%	0.108	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.2	22.5	179.6	59.4	0	0	0	0	113.2	Q396 Q401 N405 Y406 V474 T475	Q396-C403 WeakPolarHBondContact CB-O 3.4Å; Q396-C403 HydrophobicContact CG-CB 4.25Å; Q396-C403 WeakPolarHBondContact CG-O 3.44Å; Q396-C403 PolarHBondContact OE1-SG 3.37Å; Q401-C403 PolarHBondContact O-N 3.37Å; Q401-C403 VanDerWaalsContact O-N 3.15Å; C403-N405 PolarHBondContact O-N 3.41Å; C403-Y406 PolarHBondContact O-N 3.18Å; C403-V474 HydrophobicContact CB-CG1 3.97Å; C403-T475 HydrophobicContact CB-CG2 3.7Å
404	A	95.6	Very high	95.5	Very high	30 Å²	30	42.7 Å²	42.7	25%	0.248	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.9	134.3	175.2	0	0	0	0	0	111.7	L397 P398 A400 Y406	L397-A404 WeakPolarHBondContact O-CA 3.48Å; P398-A404 VanDerWaalsContact O-CB 3.28Å; P398-A404 WeakPolarHBondContact O-CB 3.42Å; A400-A404 WeakPolarHBondContact O-CB 3.37Å; A400-A404 PolarHBondContact O-N 3.02Å; A400-A404 VanDerWaalsContact O-N 3.09Å; A404-Y406 WeakPolarHBondContact O-CD2 3.28Å; A404-Y406 PolarHBondContact O-N 3.21Å
405	N	97.1	Very high	95.4	Very high	50 Å²	50	44.6 Å²	44.6	27%	0.267	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	27.7	176.1	-53.3	-46.1	0	0	0	114.5	Q367 Q396 P398 C403 L479	Q367-N405 PolarHBondContact NE2-OD1 3.4Å; Q396-N405 PolarHBondContact O-N 3.5Å; P398-N405 WeakPolarHBondContact CA-OD1 3.15Å; C403-N405 PolarHBondContact O-N 3.41Å; N405-L479 HydrophobicContact CB-CB 4.4Å; N405-L479 HydrophobicContact CB-CD1 4.12Å; N405-L479 WeakPolarHBondContact O-CB 3.25Å; N405-L479 VanDerWaalsContact O-CG 3.23Å; N405-L479 WeakPolarHBondContact O-CG 3.26Å; N405-L479 PolarHBondContact O-N 3.01Å
406	Y	98	Very high	95.2	Very high	74 Å²	74	45.3 Å²	45.3	29%	0.29	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	142.4	168.2	-83.1	-94.8	0	0	0	111.7	Q396 C403 A404 T475 M477 H478	Q396-Y406 VanDerWaalsContact CB-O 3.24Å; Q396-Y406 WeakPolarHBondContact CB-O 3.44Å; Q396-Y406 VanDerWaalsContact CG-O 3.22Å; Q396-Y406 WeakPolarHBondContact CG-O 3.38Å; Q396-Y406 PolarHBondContact N-O 3.42Å; C403-Y406 PolarHBondContact O-N 3.18Å; A404-Y406 WeakPolarHBondContact O-CD2 3.28Å; A404-Y406 PolarHBondContact O-N 3.21Å; Y406-T475 VanDerWaalsContact CD1-CA 3.44Å; Y406-T475 HydrophobicContact CD1-CG2 4.01Å; Y406-T475 HydrophobicContact CD2-CG2 3.99Å; Y406-T475 HydrophobicContact CE1-CG2 4.27Å; Y406-T475 HydrophobicContact CE2-CG2 4.23Å; Y406-T475 HydrophobicContact CG-CG2 3.86Å; Y406-M477 CarbonylContact C-O 3.58Å; Y406-H478 HydrophobicContact CD1-CB 4.18Å; Y406-H478 AromaticContact CD2-CD2 3.86Å; Y406-H478 HydrophobicContact CE1-CB 3.86Å; Y406-H478 HydrophobicContact CE2-CB 4.46Å; Y406-H478 AromaticContact CE2-CD2 3.57Å; Y406-H478 AromaticContact CZ-CD2 3.91Å
407	I	98.3	Very high	94.9	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	122.2	155.9	-51.4	177.9	0	0	0	106.6	L393 L395 I434 F476 M477 L479 L482	L393-I407 HydrophobicContact CD1-CG2 3.74Å; L393-I407 HydrophobicContact CD2-CG2 4.36Å; L393-I407 HydrophobicContact CG-CG2 3.76Å; L395-I407 HydrophobicContact CD2-CB 4.36Å; L395-I407 HydrophobicContact CD2-CG1 3.82Å; L395-I407 HydrophobicContact CD2-CG2 4.25Å; I407-I434 HydrophobicContact CD1-CD1 3.9Å; I407-I434 HydrophobicContact CG2-CD1 4.36Å; I407-F476 WeakPolarHBondContact O-CA 3.27Å; I407-F476 WeakPolarHBondContact O-CB 3.44Å; I407-F476 PolarHBondContact O-N 3.01Å; I407-M477 HydrophobicContact CB-CB 4.48Å; I407-M477 WeakPolarHBondContact CB-O 3.45Å; I407-M477 HydrophobicContact CD1-CB 4.41Å; I407-M477 HydrophobicContact CD1-CG 4.49Å; I407-M477 HydrophobicContact CD1-SD 4.1Å; I407-M477 PolarHBondContact N-O 3.11Å; I407-M477 PolarHBondContact O-N 3.02Å; I407-L479 HydrophobicContact CD1-CD2 4.12Å; I407-L479 HydrophobicContact CG1-CD2 3.63Å; I407-L479 HydrophobicContact CG1-CG 4.41Å; I407-L482 HydrophobicContact CD1-CD1 4.12Å; I407-L482 HydrophobicContact CD1-CD2 4.07Å; I407-L482 HydrophobicContact CD1-CG 4.28Å
408	S	97.4	Very high	94.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	143.4	164.2	-45	0	0	0	0	110	L393 H394 Q396 F410 Y473 V474	L393-S408 WeakPolarHBondContact CA-O 3.46Å; H394-S408 PolarHBondContact N-O 3.45Å; H394-S408 PolarHBondContact O-N 3.45Å; Q396-S408 WeakPolarHBondContact CG-OG 3.33Å; Q396-S408 PolarHBondContact NE2-OG 2.8Å; S408-F410 VanDerWaalsContact CB-CE2 3.43Å; S408-Y473 CarbonylContact C-O 3.53Å; S408-Y473 WeakPolarHBondContact CA-O 3.23Å; S408-Y473 WeakPolarHBondContact CB-O 3.45Å; S408-V474 WeakPolarHBondContact CA-O 3.26Å; S408-V474 VanDerWaalsContact CB-O 3.29Å; S408-V474 WeakPolarHBondContact CB-O 3.34Å; S408-V474 PolarHBondContact OG-O 3.13Å
409	L	98	Very high	94.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	126.5	-179.8	-169.3	62.2	0	0	0	110.4	M391 R392 L393 L432 G472 Y473 F476 V495	M391-L409 HydrophobicContact CB-CD1 4.46Å; R392-L409 WeakPolarHBondContact O-CA 3.35Å; L393-L409 HydrophobicContact CB-CD1 4.15Å; L409-L432 HydrophobicContact CB-CD1 4.46Å; L409-L432 HydrophobicContact CD2-CB 3.89Å; L409-L432 HydrophobicContact CD2-CD1 4.02Å; L409-L432 HydrophobicContact CD2-CD2 4.08Å; L409-L432 HydrophobicContact CD2-CG 4.22Å; L409-L432 HydrophobicContact CG-CD1 3.97Å; L409-L432 HydrophobicContact CG-CD2 4.41Å; L409-G472 CarbonylContact O-C 3.55Å; L409-G472 WeakPolarHBondContact O-CA 3.45Å; L409-Y473 PolarHBondContact N-O 2.7Å; L409-Y473 PolarHBondContact O-N 2.87Å; L409-F476 HydrophobicContact CB-CB 4.17Å; L409-F476 HydrophobicContact CB-CD1 4.43Å; L409-F476 HydrophobicContact CB-CD2 4.12Å; L409-F476 HydrophobicContact CB-CG 3.99Å; L409-F476 HydrophobicContact CD2-CD1 4.42Å; L409-F476 HydrophobicContact CD2-CD2 4.41Å; L409-F476 HydrophobicContact CD2-CE1 4.2Å; L409-F476 HydrophobicContact CD2-CE2 4.16Å; L409-F476 HydrophobicContact CD2-CZ 4.07Å; L409-V495 HydrophobicContact CD1-CG1 4.01Å; L409-V495 HydrophobicContact CD2-CG1 3.52Å; L409-V495 HydrophobicContact CG-CG1 4.42Å
410	F	96.6	Very high	94.6	Very high	22 Å²	22	46.6 Å²	46.6	10%	0.096	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	151.8	-177.2	-54	-89.1	0	0	0	111.1	M391 R392 S408 F471 V474	M391-F410 CarbonylContact C-O 3.57Å; M391-F410 VanDerWaalsContact CA-O 3.24Å; M391-F410 WeakPolarHBondContact CA-O 3.34Å; R392-F410 HydrophobicContact CB-CB 4.42Å; R392-F410 PolarHBondContact N-O 3.06Å; R392-F410 VanDerWaalsContact NH2-CD2 3.31Å; R392-F410 PolarHBondContact O-N 3.16Å; S408-F410 VanDerWaalsContact CB-CE2 3.43Å; F410-F471 CarbonylContact C-O 3.49Å; F410-F471 WeakPolarHBondContact CA-O 3.17Å; F410-V474 HydrophobicContact CE1-CG2 4.34Å; F410-V474 HydrophobicContact CZ-CG2 4.02Å
411	V	96.6	Very high	94.7	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	139.5	167.8	178.3	0	0	0	0	109.3	L389 C390 M391 I430 L432 M450 G470 F471	L389-V411 HydrophobicContact CB-CG1 4.14Å; L389-V411 HydrophobicContact CD1-CG1 4.16Å; L389-V411 HydrophobicContact CD2-CG1 4.2Å; L389-V411 HydrophobicContact CG-CG1 4.4Å; C390-V411 WeakPolarHBondContact O-CA 3.46Å; M391-V411 HydrophobicContact CG-CG2 4.29Å; V411-I430 HydrophobicContact CB-CD1 4.45Å; V411-I430 HydrophobicContact CG1-CD1 4.29Å; V411-I430 HydrophobicContact CG2-CG2 4Å; V411-L432 HydrophobicContact CG2-CD1 4.3Å; V411-L432 HydrophobicContact CG2-CD2 3.79Å; V411-L432 HydrophobicContact CG2-CG 4.43Å; V411-M450 HydrophobicContact CB-CE 4.26Å; V411-M450 HydrophobicContact CG2-CE 4.03Å; V411-G470 CarbonylContact O-C 3.6Å; V411-G470 VanDerWaalsContact O-CA 3.27Å; V411-G470 WeakPolarHBondContact O-CA 3.33Å; V411-F471 PolarHBondContact N-O 3.42Å; V411-F471 PolarHBondContact O-N 2.88Å
412	H	96.1	Very high	94.8	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.019	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	137.8	176.8	-68.1	-106.2	0	0	0	109.8	L389 C390 R466 N467 P468 G470	L389-H412 CarbonylContact C-O 3.59Å; L389-H412 VanDerWaalsContact CA-O 3.27Å; L389-H412 WeakPolarHBondContact CA-O 3.07Å; C390-H412 PolarHBondContact N-O 2.92Å; C390-H412 PolarHBondContact O-N 2.92Å; H412-R466 HydrophobicContact CB-CG 4.08Å; H412-N467 PolarHBondContact ND1-O 2.91Å; H412-P468 PolarHBondContact CE1-O 2.78Å; H412-G470 WeakPolarHBondContact CE1-CA 3.15Å; H412-G470 PolarHBondContact CE1-N 3.15Å; H412-G470 VanDerWaalsContact CE1-N 3.31Å; H412-G470 WeakPolarHBondContact ND1-CA 3.28Å; H412-G470 PolarHBondContact ND1-N 3.45Å
413	T	94.7	Very high	95	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.012	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	140.3	167.3	46.6	0	0	0	0	110.3	L389 W424 A458 N467	L389-T413 HydrophobicContact CD2-CG2 3.82Å; T413-W424 HydrophobicContact CG2-CZ3 4.43Å; T413-A458 WeakPolarHBondContact CG2-O 3.37Å; T413-A458 PolarHBondContact OG1-O 3.42Å; T413-N467 VanDerWaalsContact O-CB 3.3Å; T413-N467 WeakPolarHBondContact O-CB 3.37Å; T413-N467 PolarHBondContact O-N 3.21Å; T413-N467 WeakPolarHBondContact OG1-CB 3.21Å; T413-N467 PolarHBondContact OG1-ND2 3.36Å
414	M	94.9	Very high	95	Very high	29 Å²	29	40.2 Å²	40.2	14%	0.143	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	155.4	179	-63.8	-173.6	76.4	0	0	109.9	K388 C390 G416 P462 P465 R466	K388-M414 HydrophobicContact CB-CB 4.08Å; K388-M414 HydrophobicContact CD-CB 4.06Å; K388-M414 HydrophobicContact CG-CB 3.99Å; K388-M414 PolarHBondContact O-N 3.36Å; C390-M414 HydrophobicContact CB-CG 4.4Å; C390-M414 HydrophobicContact CB-SD 3.57Å; C390-M414 VanDerWaalsContact CB-SD 3.57Å; M414-G416 PolarHBondContact O-N 2.9Å; M414-P462 VanDerWaalsContact O-CG 3.26Å; M414-P462 WeakPolarHBondContact O-CG 3.44Å; M414-P465 VanDerWaalsContact CA-O 3.32Å; M414-P465 WeakPolarHBondContact CA-O 3.33Å; M414-P465 WeakPolarHBondContact CB-O 3.19Å; M414-R466 HydrophobicContact CE-CB 4.37Å; M414-R466 HydrophobicContact CG-CB 4.29Å; M414-R466 HydrophobicContact CG-CG 4.22Å
415	Q	95.7	Very high	95	Very high	83 Å²	83	40 Å²	40	39%	0.388	20%	0.204	S	C	.	.			trans	-60.8	121.5	171.3	-81.4	178.8	-31.3	0	0	110.1	K388 D419 P462 T463 I464 P465	K388-Q415 WeakPolarHBondContact CD-O 3.36Å; Q415-D419 WeakPolarHBondContact CA-OD2 3.23Å; Q415-P462 HydrophobicContact CG-CB 4.21Å; Q415-P462 HydrophobicContact CG-CG 4.22Å; Q415-P462 WeakPolarHBondContact CG-O 3.26Å; Q415-P462 PolarHBondContact NE2-O 3.27Å; Q415-T463 PolarHBondContact NE2-O 3.35Å; Q415-I464 WeakPolarHBondContact CG-O 3.46Å; Q415-P465 PolarHBondContact N-O 3.07Å; Q415-P465 VanDerWaalsContact N-O 3.09Å
416	G	92.7	Very high	94.8	Very high	15 Å²	15	37.7 Å²	37.7	16%	0.155	19%	0.192	C	C	.	.			trans	-110.8	156.5	177.6	0	0	0	0	0	112.1	M414 Y418 D419	M414-G416 PolarHBondContact O-N 2.9Å; G416-Y418 PolarHBondContact O-N 2.82Å; G416-D419 WeakPolarHBondContact CA-OD1 3.4Å; G416-D419 VanDerWaalsContact N-CG 3.27Å; G416-D419 PolarHBondContact N-OD1 3.04Å; G416-D419 PolarHBondContact N-OD2 2.96Å; G416-D419 VanDerWaalsContact O-CG 3.23Å; G416-D419 PolarHBondContact O-N 3.41Å
417	E	91.1	Very high	94.5	Very high	119 Å²	119	38.7 Å²	38.7	56%	0.556	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-32.9	175.1	-171.7	-172.4	-178.7	0	0	112.1	Y381	Y381-E417 PolarHBondContact OH-N 3.07Å
418	Y	92	Very high	94.2	Very high	31 Å²	31	38.8 Å²	38.8	12%	0.122	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	5.9	-173.7	-50.4	-65.5	0	0	0	114.1	Y381 K384 P385 G416 S420 H421 L422	Y381-Y418 HydrophobicContact CD1-CD2 4.38Å; Y381-Y418 HydrophobicContact CE1-CD2 4.15Å; Y381-Y418 HydrophobicContact CE1-CE2 4.35Å; K384-Y418 WeakPolarHBondContact CE-OH 3.44Å; K384-Y418 HydrophobicContact CG-CE2 4.31Å; P385-Y418 HydrophobicContact CB-CD1 3.72Å; P385-Y418 HydrophobicContact CB-CD2 4.05Å; P385-Y418 HydrophobicContact CB-CE1 4.44Å; P385-Y418 HydrophobicContact CB-CG 3.52Å; G416-Y418 PolarHBondContact O-N 2.82Å; Y418-S420 PolarHBondContact O-N 3.19Å; Y418-H421 PolarHBondContact O-N 3.19Å; Y418-L422 WeakPolarHBondContact O-CG 3.31Å; Y418-L422 PolarHBondContact O-N 3.08Å
419	D	94.4	Very high	94.2	Very high	8 Å²	8	40.1 Å²	40.1	4%	0.043	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.7	-170.5	-74.3	-2.9	0	0	0	113.8	Q415 G416 H421 W424	Q415-D419 WeakPolarHBondContact CA-OD2 3.23Å; G416-D419 WeakPolarHBondContact CA-OD1 3.4Å; G416-D419 VanDerWaalsContact N-CG 3.27Å; G416-D419 PolarHBondContact N-OD1 3.04Å; G416-D419 PolarHBondContact N-OD2 2.96Å; G416-D419 VanDerWaalsContact O-CG 3.23Å; G416-D419 PolarHBondContact O-N 3.41Å; D419-H421 VanDerWaalsContact C-N 3.31Å; D419-W424 HydrophobicContact CB-CZ2 4.31Å; D419-W424 PolarHBondContact O-NE1 3.19Å
420	S	93.6	Very high	94.2	Very high	79 Å²	79	40.2 Å²	40.2	55%	0.552	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-17.5	176.1	48.6	0	0	0	0	114.3	Y418	Y418-S420 PolarHBondContact O-N 3.19Å
421	H	92.3	Very high	94.2	Very high	152 Å²	152	42.3 Å²	42.3	70%	0.704	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108	-3.7	-176.3	-58.5	-66.9	0	0	0	112.9	Y418 D419	Y418-H421 PolarHBondContact O-N 3.19Å; D419-H421 VanDerWaalsContact C-N 3.31Å
422	L	93.4	Very high	94.3	Very high	16 Å²	16	42.2 Å²	42.2	8%	0.084	22%	0.215	C	C	.	.	S	Bend	trans	-102.1	145	-177.9	-66.1	169	0	0	0	110.9	P385 G386 Y387 Y418	P385-L422 HydrophobicContact CB-CD2 4.47Å; G386-L422 WeakPolarHBondContact O-CD1 3.15Å; Y387-L422 HydrophobicContact CD1-CB 4.38Å; Y387-L422 HydrophobicContact CD1-CD1 3.84Å; Y387-L422 HydrophobicContact CD2-CD1 4.35Å; Y387-L422 HydrophobicContact CE1-CB 3.75Å; Y387-L422 HydrophobicContact CE1-CD1 4.03Å; Y387-L422 HydrophobicContact CE1-CG 4.4Å; Y387-L422 HydrophobicContact CE2-CD2 4.39Å; Y387-L422 HydrophobicContact CG-CD1 4.02Å; Y418-L422 WeakPolarHBondContact O-CG 3.31Å; Y418-L422 PolarHBondContact O-N 3.08Å
423	P	93.1	Very high	94.4	Very high	67 Å²	67	42 Å²	42	44%	0.435	21%	0.214	S	C	.	.			trans	-68.5	139.3	173.9	26.7	-30.6	0	0	0	110.8	Y387	Y387-P423 WeakPolarHBondContact CE1-O 3.43Å; Y387-P423 WeakPolarHBondContact OH-CD 3.15Å; Y387-P423 WeakPolarHBondContact OH-CG 3.19Å; Y387-P423 PolarHBondContact OH-O 2.88Å
424	W	93.9	Very high	94.6	Very high	60 Å²	60	42 Å²	42	23%	0.227	21%	0.214	C	C	.	.	S	Bend	trans	-127.4	147.9	175.9	-69.3	95.8	0	0	0	110.6	Y387 T413 D419 F426 R461 P462	Y387-W424 AromaticContact CD1-CH2 3.62Å; Y387-W424 HydrophobicContact CD1-CH2 3.62Å; Y387-W424 AromaticContact CD1-CZ2 3.68Å; Y387-W424 HydrophobicContact CD1-CZ2 3.68Å; Y387-W424 HydrophobicContact CD1-CZ3 4.09Å; Y387-W424 HydrophobicContact CE1-CD2 4.23Å; Y387-W424 HydrophobicContact CE1-CE3 4.34Å; Y387-W424 HydrophobicContact CE1-CH2 4.13Å; Y387-W424 AromaticContact CE1-CZ2 3.98Å; Y387-W424 HydrophobicContact CE1-CZ2 3.98Å; Y387-W424 HydrophobicContact CE1-CZ3 4.29Å; T413-W424 HydrophobicContact CG2-CZ3 4.43Å; D419-W424 HydrophobicContact CB-CZ2 4.31Å; D419-W424 PolarHBondContact O-NE1 3.19Å; W424-F426 HydrophobicContact CE3-CB 4.36Å; W424-F426 HydrophobicContact CZ3-CB 4.13Å; W424-R461 HydrophobicContact CB-CB 4.3Å; W424-R461 HydrophobicContact CD2-CB 3.56Å; W424-R461 HydrophobicContact CD2-CG 4Å; W424-R461 VanDerWaalsContact CE3-CA 3.41Å; W424-R461 HydrophobicContact CE3-CB 3.92Å; W424-R461 VanDerWaalsContact CE3-N 3.31Å; W424-R461 HydrophobicContact CG-CB 3.73Å; W424-R461 HydrophobicContact CG-CG 4.23Å; W424-R461 HydrophobicContact CZ2-CB 4.38Å; W424-R461 HydrophobicContact CZ2-CG 4.07Å; W424-R461 HydrophobicContact CZ3-CB 4.47Å; W424-P462 HydrophobicContact CH2-CG 4.3Å
425	P	94.3	Very high	94.7	Very high	27 Å²	27	42 Å²	42	18%	0.175	21%	0.214	C	C	.	.	S	Bend	cis	-69.2	159.5	-1.3	30.1	-36.8	0	0	0	113.4	Q427 P454 F459	P425-Q427 PolarHBondContact O-N 3.21Å; P425-P454 HydrophobicContact CB-CB 4.39Å; P425-P454 HydrophobicContact CG-CB 3.38Å; P425-P454 WeakPolarHBondContact CG-O 3.47Å; P425-F459 WeakPolarHBondContact CA-O 3.34Å; P425-F459 WeakPolarHBondContact CB-O 3.26Å
426	F	93.2	Very high	94.8	Very high	1 Å²	1	38 Å²	38	0%	0.004	20%	0.196	C	C	.	.			trans	-58.6	130.1	178	165.7	-100.1	0	0	0	110.9	Y387 W424 I430 A452 F459 V499 T501	Y387-F426 HydrophobicContact CD1-CB 4.36Å; Y387-F426 HydrophobicContact CD1-CD2 4.01Å; Y387-F426 AromaticContact CD2-CD2 3.53Å; Y387-F426 HydrophobicContact CD2-CD2 3.53Å; Y387-F426 AromaticContact CD2-CE2 3.83Å; Y387-F426 HydrophobicContact CD2-CE2 3.83Å; Y387-F426 HydrophobicContact CE1-CB 4.23Å; Y387-F426 HydrophobicContact CE1-CD2 4.1Å; Y387-F426 AromaticContact CE2-CD2 3.66Å; Y387-F426 HydrophobicContact CE2-CD2 3.66Å; Y387-F426 HydrophobicContact CE2-CE2 4.12Å; Y387-F426 AromaticContact CG-CD2 3.72Å; Y387-F426 HydrophobicContact CG-CD2 3.72Å; Y387-F426 HydrophobicContact CG-CE2 4.3Å; Y387-F426 AromaticContact CZ-CD2 3.93Å; W424-F426 HydrophobicContact CE3-CB 4.36Å; W424-F426 HydrophobicContact CZ3-CB 4.13Å; F426-I430 HydrophobicContact CE1-CD1 3.89Å; F426-I430 HydrophobicContact CE1-CG1 4.16Å; F426-I430 HydrophobicContact CZ-CD1 4.48Å; F426-I430 HydrophobicContact CZ-CG1 4.37Å; F426-A452 HydrophobicContact CD1-CB 3.46Å; F426-A452 VanDerWaalsContact CD1-CB 3.46Å; F426-A452 HydrophobicContact CE1-CB 3.44Å; F426-A452 VanDerWaalsContact CE1-CB 3.44Å; F426-F459 HydrophobicContact CB-CB 4.25Å; F426-F459 AromaticContact CD1-CD1 3.6Å; F426-F459 HydrophobicContact CD1-CD1 3.6Å; F426-F459 HydrophobicContact CD1-CE1 4.07Å; F426-F459 HydrophobicContact CD1-CG 4.26Å; F426-F459 HydrophobicContact CE1-CD1 4.3Å; F426-F459 HydrophobicContact CE1-CE1 4.33Å; F426-F459 PolarHBondContact N-O 2.73Å; F426-V499 HydrophobicContact CE2-CG1 4.03Å; F426-V499 HydrophobicContact CZ-CG1 3.55Å; F426-T501 HydrophobicContact CE2-CG2 3.91Å
427	Q	92.5	Very high	95	Very high	94 Å²	94	38.6 Å²	38.6	44%	0.439	20%	0.195	S	C	.	.			trans	-127.6	130.7	176.7	-66.3	-179.6	46.6	0	0	110.4	P425 R502	P425-Q427 PolarHBondContact O-N 3.21Å; Q427-R502 PolarHBondContact O-N 3.16Å; Q427-R502 VanDerWaalsContact O-N 3.08Å
428	G	92.6	Very high	95.1	Very high	2 Å²	2	33.9 Å²	33.9	2%	0.021	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.3	177.2	-175.5	0	0	0	0	0	112.2	A452 S500	G428-A452 WeakPolarHBondContact O-CB 3.3Å; G428-A452 PolarHBondContact O-N 3.31Å; G428-S500 CarbonylContact C-O 3.35Å; G428-S500 WeakPolarHBondContact CA-O 3.07Å
429	T	96.4	Very high	94.9	Very high	29 Å²	29	40.6 Å²	40.6	18%	0.178	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	129.9	174.7	-58	0	0	0	0	108.3	I449 D451 V499 S500 R502	T429-I449 HydrophobicContact CG2-CG2 3.38Å; T429-D451 WeakPolarHBondContact CB-OD1 3.45Å; T429-D451 PolarHBondContact OG1-OD1 3.41Å; T429-V499 WeakPolarHBondContact O-CA 3.31Å; T429-S500 PolarHBondContact N-O 2.92Å; T429-S500 PolarHBondContact O-N 2.68Å; T429-R502 PolarHBondContact OG1-NH2 3.01Å; T429-R502 VanDerWaalsContact OG1-NH2 3.14Å
430	I	97.2	Very high	94.6	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.3	177.6	-58.8	171	0	0	0	107.9	V411 F426 L432 M450 F459 E498 V499	V411-I430 HydrophobicContact CB-CD1 4.45Å; V411-I430 HydrophobicContact CG1-CD1 4.29Å; V411-I430 HydrophobicContact CG2-CG2 4Å; F426-I430 HydrophobicContact CE1-CD1 3.89Å; F426-I430 HydrophobicContact CE1-CG1 4.16Å; F426-I430 HydrophobicContact CZ-CD1 4.48Å; F426-I430 HydrophobicContact CZ-CG1 4.37Å; I430-L432 HydrophobicContact CG2-CD2 4.38Å; I430-L432 HydrophobicContact CG2-CG 4.26Å; I430-M450 HydrophobicContact CB-CE 3.79Å; I430-M450 HydrophobicContact CB-CG 3.96Å; I430-M450 HydrophobicContact CD1-CE 3.93Å; I430-M450 HydrophobicContact CG1-CE 4.48Å; I430-M450 HydrophobicContact CG2-CE 3.54Å; I430-M450 PolarHBondContact N-O 2.66Å; I430-M450 PolarHBondContact O-N 3.39Å; I430-F459 HydrophobicContact CD1-CE1 3.97Å; I430-F459 HydrophobicContact CD1-CZ 4.4Å; I430-E498 CarbonylContact C-O 3.55Å; I430-E498 WeakPolarHBondContact CA-O 3.14Å; I430-V499 HydrophobicContact CG1-CG1 4.3Å; I430-V499 HydrophobicContact CG1-CG2 4.28Å; I430-V499 HydrophobicContact CG2-CG2 4.43Å
431	R	98.2	Very high	94.2	Very high	67 Å²	67	45 Å²	45	25%	0.253	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.2	174.3	173.9	-168.1	-59.1	-73.6	-9	108.6	E447 I449 C497 E498	R431-E447 WeakPolarHBondContact CD-OE1 3.43Å; R431-E447 HydrophobicContact CG-CG 4.05Å; R431-E447 WeakPolarHBondContact CG-OE1 3.33Å; R431-E447 IonicContact CZ-OE1 3.42Å; R431-E447 IonicContact CZ-OE2 3.19Å; R431-E447 IonicContact NE-OE1 3.2Å; R431-E447 IonicContact NH1-OE1 3.39Å; R431-E447 PolarHBondContact NH1-OE1 2.91Å; R431-E447 IonicContact NH1-OE2 2.78Å; R431-E447 PolarHBondContact NH1-OE2 3.27Å; R431-I449 HydrophobicContact CB-CG1 4.36Å; R431-I449 HydrophobicContact CG-CG1 4.21Å; R431-C497 CarbonylContact O-C 3.37Å; R431-C497 WeakPolarHBondContact O-CA 3.39Å; R431-E498 HydrophobicContact CB-CB 4.21Å; R431-E498 WeakPolarHBondContact CD-OE2 3.21Å; R431-E498 PolarHBondContact N-O 3.29Å; R431-E498 IonicContact NE-OE2 2.75Å; R431-E498 PolarHBondContact NE-OE2 3.25Å; R431-E498 PolarHBondContact O-N 3.46Å
432	L	98.5	Very high	94	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	134	176.3	-69	174.9	0	0	0	108.9	M391 L409 V411 I430 E447 E448 M450 Y473 F476 C497	M391-L432 HydrophobicContact CG-CD2 4.44Å; M391-L432 HydrophobicContact SD-CD2 4.04Å; L409-L432 HydrophobicContact CB-CD1 4.46Å; L409-L432 HydrophobicContact CD2-CB 3.89Å; L409-L432 HydrophobicContact CD2-CD1 4.02Å; L409-L432 HydrophobicContact CD2-CD2 4.08Å; L409-L432 HydrophobicContact CD2-CG 4.22Å; L409-L432 HydrophobicContact CG-CD1 3.97Å; L409-L432 HydrophobicContact CG-CD2 4.41Å; V411-L432 HydrophobicContact CG2-CD1 4.3Å; V411-L432 HydrophobicContact CG2-CD2 3.79Å; V411-L432 HydrophobicContact CG2-CG 4.43Å; I430-L432 HydrophobicContact CG2-CD2 4.38Å; I430-L432 HydrophobicContact CG2-CG 4.26Å; L432-E447 WeakPolarHBondContact O-CA 3.4Å; L432-E448 PolarHBondContact N-O 3.14Å; L432-E448 PolarHBondContact O-N 3.26Å; L432-M450 HydrophobicContact CD1-CE 3.89Å; L432-M450 HydrophobicContact CG-CE 4.41Å; L432-Y473 HydrophobicContact CD1-CD2 4.43Å; L432-F476 HydrophobicContact CB-CE2 3.65Å; L432-F476 HydrophobicContact CB-CZ 4Å; L432-F476 WeakPolarHBondContact O-CZ 3.33Å; L432-C497 HydrophobicContact CD2-CB 3.95Å
433	T	98.5	Very high	93.8	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	128.4	-173.4	-46.3	0	0	0	0	110.8	L435 N445 H446 E447 V495 R496	T433-L435 HydrophobicContact CG2-CD2 3.8Å; T433-N445 HydrophobicContact CG2-CB 3.42Å; T433-N445 VanDerWaalsContact CG2-CB 3.42Å; T433-H446 CarbonylContact C-O 3.48Å; T433-H446 VanDerWaalsContact CA-O 3.27Å; T433-H446 WeakPolarHBondContact CA-O 3.33Å; T433-E447 HydrophobicContact CG2-CB 4.28Å; T433-E447 PolarHBondContact OG1-OE1 3.39Å; T433-V495 CarbonylContact O-C 3.34Å; T433-V495 WeakPolarHBondContact O-CA 3.23Å; T433-R496 PolarHBondContact N-O 2.85Å; T433-R496 PolarHBondContact O-N 2.85Å
434	I	98.4	Very high	93.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	121.5	162.5	-69.3	171.4	0	0	0	107.5	I407 H446 F476 M477 F487 L493 V495	I407-I434 HydrophobicContact CD1-CD1 3.9Å; I407-I434 HydrophobicContact CG2-CD1 4.36Å; I434-H446 PolarHBondContact N-O 3.05Å; I434-H446 PolarHBondContact O-N 2.92Å; I434-F476 HydrophobicContact CB-CE1 4.4Å; I434-F476 HydrophobicContact CD1-CD1 3.78Å; I434-F476 HydrophobicContact CD1-CE1 3.68Å; I434-F476 HydrophobicContact CG1-CD1 4.33Å; I434-F476 HydrophobicContact CG1-CE1 3.73Å; I434-M477 HydrophobicContact CB-CE 3.9Å; I434-M477 HydrophobicContact CD1-CB 4.11Å; I434-M477 HydrophobicContact CD1-CE 4Å; I434-M477 HydrophobicContact CD1-SD 3.86Å; I434-M477 HydrophobicContact CG2-CE 3.89Å; I434-M477 HydrophobicContact CG2-SD 4.35Å; I434-F487 HydrophobicContact CG2-CB 4.4Å; I434-F487 HydrophobicContact CG2-CD1 3.65Å; I434-F487 HydrophobicContact CG2-CE1 4.23Å; I434-F487 HydrophobicContact CG2-CG 4.26Å; I434-L493 HydrophobicContact CG2-CD1 3.75Å; I434-L493 HydrophobicContact CG2-CG 4.45Å; I434-V495 HydrophobicContact CG1-CG2 4.35Å
435	L	97.7	Very high	93.9	Very high	29 Å²	29	52 Å²	52	15%	0.152	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-85.5	131.6	-170	-59.5	176.9	0	0	0	112.3	I354 T433 Q437 N445 F487 L494 R496	I354-L435 HydrophobicContact CG2-CD1 4.45Å; T433-L435 HydrophobicContact CG2-CD2 3.8Å; L435-Q437 PolarHBondContact O-N 2.57Å; L435-N445 WeakPolarHBondContact CA-OD1 3.48Å; L435-F487 WeakPolarHBondContact O-CD1 3.44Å; L435-L494 HydrophobicContact CB-CB 4.09Å; L435-L494 HydrophobicContact CD1-CB 4Å; L435-L494 HydrophobicContact CD1-CD1 4.35Å; L435-L494 HydrophobicContact CG-CB 4.34Å; L435-L494 PolarHBondContact N-O 2.81Å; L435-R496 HydrophobicContact CD1-CB 4.21Å; L435-R496 HydrophobicContact CD2-CB 4.16Å; L435-R496 HydrophobicContact CG-CB 4.21Å
436	D	96.9	Very high	94.1	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-74.9	117.4	165.6	175.1	1.1	0	0	0	108.6	S438 R443 Q444 N445 R485 F487	D436-S438 VanDerWaalsContact CG-OG 3.3Å; D436-S438 WeakPolarHBondContact OD1-CB 3.21Å; D436-S438 PolarHBondContact OD1-N 3.31Å; D436-S438 PolarHBondContact OD1-OG 2.67Å; D436-S438 PolarHBondContact OD2-OG 2.92Å; D436-R443 HydrophobicContact CB-CB 4.22Å; D436-R443 VanDerWaalsContact O-CD 3.22Å; D436-R443 WeakPolarHBondContact O-CD 3.18Å; D436-Q444 WeakPolarHBondContact CB-O 3.37Å; D436-Q444 PolarHBondContact OD2-N 3.04Å; D436-Q444 VanDerWaalsContact OD2-N 3.07Å; D436-N445 PolarHBondContact N-OD1 3.33Å; D436-R485 IonicContact OD2-NH1 3.47Å; D436-R485 PolarHBondContact OD2-NH1 3.31Å; D436-F487 HydrophobicContact CB-CD1 4.39Å; D436-F487 HydrophobicContact CB-CE1 4.07Å
437	Q	96.2	Very high	94.3	Very high	27 Å²	27	57.3 Å²	57.3	13%	0.126	29%	0.293	C	S	.	.			trans	-95.4	11.3	-174.4	-53.7	-173.2	64.2	0	0	113	L435 T486 F487 K489 T492 L494	L435-Q437 PolarHBondContact O-N 2.57Å; Q437-T486 WeakPolarHBondContact CA-O 3.4Å; Q437-T486 VanDerWaalsContact CB-O 3.31Å; Q437-T486 WeakPolarHBondContact CB-O 3.35Å; Q437-T486 PolarHBondContact N-O 3.4Å; Q437-F487 PolarHBondContact NE2-O 3.28Å; Q437-K489 HydrophobicContact CB-CB 4.02Å; Q437-K489 HydrophobicContact CB-CD 4.32Å; Q437-T492 PolarHBondContact NE2-O 3.4Å; Q437-L494 HydrophobicContact CG-CD1 3.99Å; Q437-L494 HydrophobicContact CG-CG 4.31Å
438	S	93.6	Very high	94.6	Very high	20 Å²	20	56.5 Å²	56.5	14%	0.14	29%	0.289	C	S	.	.			trans	-64.4	158.1	176	62.5	0	0	0	0	112.5	D436 A440 R443	D436-S438 VanDerWaalsContact CG-OG 3.3Å; D436-S438 WeakPolarHBondContact OD1-CB 3.21Å; D436-S438 PolarHBondContact OD1-N 3.31Å; D436-S438 PolarHBondContact OD1-OG 2.67Å; D436-S438 PolarHBondContact OD2-OG 2.92Å; S438-A440 PolarHBondContact O-N 3.1Å; S438-R443 PolarHBondContact O-NE 3.3Å; S438-R443 PolarHBondContact O-NH2 3.38Å
439	E	89	Confident	94.8	Very high	171 Å²	171	60.1 Å²	60.1	80%	0.799	31%	0.308	S	S	*	.			trans	-85.6	14.7	173.5	-63.5	-178.8	-174.5	0	0	112.1	K489	E439-K489 IonicContact OE1-NZ 2.69Å
440	A	86.8	Confident	94.8	Very high	41 Å²	41	59.4 Å²	59.4	34%	0.339	30%	0.302	S	S	.	.			trans	-65.4	147.6	179.2	0	0	0	0	0	111.5	S438 V442	S438-A440 PolarHBondContact O-N 3.1Å; A440-V442 PolarHBondContact O-N 2.99Å; A440-V442 VanDerWaalsContact O-N 3.14Å
441	P	84.7	Confident	94.7	Very high	139 Å²	139	62.9 Å²	62.9	90%	0.903	32%	0.321	S	S	*	.	S	Bend	trans	-57.3	-30.7	177.4	-22.7	31.6	0	0	0	113.3
442	V	87.9	Confident	94.4	Very high	116 Å²	116	60.2 Å²	60.2	70%	0.703	31%	0.313	S	S	*	.	S	Bend	trans	-126	109.5	175.8	-176.1	0	0	0	0	108	A440	A440-V442 PolarHBondContact O-N 2.99Å; A440-V442 VanDerWaalsContact O-N 3.14Å
443	R	90.8	Very high	93.9	Very high	145 Å²	145	65.4 Å²	65.4	55%	0.547	34%	0.336	S	S	.	.			trans	-78.6	134.2	171.6	-70.7	170.2	175.1	177.8	4.2	109.4	D436 S438	D436-R443 HydrophobicContact CB-CB 4.22Å; D436-R443 VanDerWaalsContact O-CD 3.22Å; D436-R443 WeakPolarHBondContact O-CD 3.18Å; S438-R443 PolarHBondContact O-NE 3.3Å; S438-R443 PolarHBondContact O-NH2 3.38Å
444	Q	93.1	Very high	93.4	Very high	113 Å²	113	68.3 Å²	68.3	53%	0.528	36%	0.355	S	S	.	.			trans	-107.7	91.9	176	-170.7	177.9	37.5	0	0	109.4	D436 R485	D436-Q444 WeakPolarHBondContact CB-O 3.37Å; D436-Q444 PolarHBondContact OD2-N 3.04Å; D436-Q444 VanDerWaalsContact OD2-N 3.07Å; Q444-R485 VanDerWaalsContact CB-CZ 3.43Å
445	N	96.3	Very high	93.1	Very high	67 Å²	67	74 Å²	74	36%	0.358	39%	0.385	S	S	.	.			trans	-71.7	158	174.7	-55.1	-37.2	0	0	0	110.9	T433 L435 D436	T433-N445 HydrophobicContact CG2-CB 3.42Å; T433-N445 VanDerWaalsContact CG2-CB 3.42Å; L435-N445 WeakPolarHBondContact CA-OD1 3.48Å; D436-N445 PolarHBondContact N-OD1 3.33Å
446	H	97.6	Very high	92.7	Very high	59 Å²	59	75.2 Å²	75.2	27%	0.273	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.6	166.7	-172.7	95.8	0	0	0	109.2	T433 I434 F476 M477 F487	T433-H446 CarbonylContact C-O 3.48Å; T433-H446 VanDerWaalsContact CA-O 3.27Å; T433-H446 WeakPolarHBondContact CA-O 3.33Å; I434-H446 PolarHBondContact N-O 3.05Å; I434-H446 PolarHBondContact O-N 2.92Å; H446-F476 AromaticContact CD2-CD1 3.94Å; H446-F476 AromaticContact CD2-CE1 3.57Å; H446-F476 PolarHBondContact NE2-O 2.94Å; H446-M477 HydrophobicContact CB-CE 3.03Å; H446-F487 HydrophobicContact CB-CZ 4.47Å
447	E	97.9	Very high	92.5	Very high	82 Å²	82	80.9 Å²	80.9	38%	0.383	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	141.2	-165.6	174.7	176.3	-95	0	0	111.5	R431 L432 T433 I449	R431-E447 WeakPolarHBondContact CD-OE1 3.43Å; R431-E447 HydrophobicContact CG-CG 4.05Å; R431-E447 WeakPolarHBondContact CG-OE1 3.33Å; R431-E447 IonicContact CZ-OE1 3.42Å; R431-E447 IonicContact CZ-OE2 3.19Å; R431-E447 IonicContact NE-OE1 3.2Å; R431-E447 IonicContact NH1-OE1 3.39Å; R431-E447 PolarHBondContact NH1-OE1 2.91Å; R431-E447 IonicContact NH1-OE2 2.78Å; R431-E447 PolarHBondContact NH1-OE2 3.27Å; L432-E447 WeakPolarHBondContact O-CA 3.4Å; T433-E447 HydrophobicContact CG2-CB 4.28Å; T433-E447 PolarHBondContact OG1-OE1 3.39Å; E447-I449 HydrophobicContact CG-CG1 4.41Å
448	E	98	Very high	92.2	Very high	76 Å²	76	79.9 Å²	79.9	36%	0.355	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	147	166.2	-67.7	-71.6	172	0	0	110.3	L432 Y473 F476	L432-E448 PolarHBondContact N-O 3.14Å; L432-E448 PolarHBondContact O-N 3.26Å; E448-Y473 HydrophobicContact CB-CD2 4.07Å; E448-Y473 HydrophobicContact CB-CE1 4.05Å; E448-Y473 HydrophobicContact CB-CE2 3.51Å; E448-Y473 VanDerWaalsContact CB-CZ 3.49Å; E448-Y473 HydrophobicContact CG-CD1 4.39Å; E448-Y473 HydrophobicContact CG-CD2 4.49Å; E448-Y473 HydrophobicContact CG-CE1 4.16Å; E448-Y473 HydrophobicContact CG-CE2 4.3Å; E448-F476 HydrophobicContact CB-CD2 4.23Å; E448-F476 HydrophobicContact CB-CE2 3.72Å; E448-F476 HydrophobicContact CG-CD2 4.04Å; E448-F476 HydrophobicContact CG-CE2 3.85Å
449	I	97.7	Very high	92.2	Very high	79 Å²	79	79.1 Å²	79.1	41%	0.405	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	133.2	-179.3	-52.6	167.8	0	0	0	109	T429 R431 E447 Y473	T429-I449 HydrophobicContact CG2-CG2 3.38Å; R431-I449 HydrophobicContact CB-CG1 4.36Å; R431-I449 HydrophobicContact CG-CG1 4.21Å; E447-I449 HydrophobicContact CG-CG1 4.41Å; I449-Y473 PolarHBondContact O-OH 3.11Å
450	M	95.8	Very high	92.4	Very high	13 Å²	13	74.2 Å²	74.2	6%	0.064	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	144.1	178.8	65.5	-170.1	176.6	0	0	112	V411 I430 L432 F471 Y473	V411-M450 HydrophobicContact CB-CE 4.26Å; V411-M450 HydrophobicContact CG2-CE 4.03Å; I430-M450 HydrophobicContact CB-CE 3.79Å; I430-M450 HydrophobicContact CB-CG 3.96Å; I430-M450 HydrophobicContact CD1-CE 3.93Å; I430-M450 HydrophobicContact CG1-CE 4.48Å; I430-M450 HydrophobicContact CG2-CE 3.54Å; I430-M450 PolarHBondContact N-O 2.66Å; I430-M450 PolarHBondContact O-N 3.39Å; L432-M450 HydrophobicContact CD1-CE 3.89Å; L432-M450 HydrophobicContact CG-CE 4.41Å; M450-F471 HydrophobicContact CB-CE1 3.87Å; M450-F471 HydrophobicContact CE-CD1 4.04Å; M450-F471 HydrophobicContact CG-CD1 4.12Å; M450-F471 HydrophobicContact CG-CE1 3.88Å; M450-F471 HydrophobicContact SD-CD1 3.31Å; M450-F471 WeakPolarHBondContact SD-CD1 3.37Å; M450-F471 HydrophobicContact SD-CE1 3.5Å; M450-F471 VanDerWaalsContact SD-CE1 3.5Å; M450-F471 HydrophobicContact SD-CG 4.43Å; M450-Y473 HydrophobicContact CB-CE2 4.41Å; M450-Y473 HydrophobicContact SD-CE2 3.91Å
451	D	94.9	Very high	92.7	Very high	74 Å²	74	78.7 Å²	78.7	40%	0.396	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	134.9	172.4	-80	-24	0	0	0	110.6	T429 K453 R502	T429-D451 WeakPolarHBondContact CB-OD1 3.45Å; T429-D451 PolarHBondContact OG1-OD1 3.41Å; D451-K453 PolarHBondContact O-N 3.09Å; D451-R502 VanDerWaalsContact CG-NH2 3.28Å; D451-R502 IonicContact OD1-CZ 3.94Å; D451-R502 IonicContact OD1-NH2 2.98Å; D451-R502 PolarHBondContact OD1-NH2 2.91Å; D451-R502 IonicContact OD2-CZ 3.98Å; D451-R502 IonicContact OD2-NH2 3.06Å; D451-R502 PolarHBondContact OD2-NH2 3.22Å
452	A	92.1	Very high	93	Very high	12 Å²	12	72.4 Å²	72.4	10%	0.099	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-68.9	124.3	173.6	0	0	0	0	0	110.3	F426 G428 F459	F426-A452 HydrophobicContact CD1-CB 3.46Å; F426-A452 VanDerWaalsContact CD1-CB 3.46Å; F426-A452 HydrophobicContact CE1-CB 3.44Å; F426-A452 VanDerWaalsContact CE1-CB 3.44Å; G428-A452 WeakPolarHBondContact O-CB 3.3Å; G428-A452 PolarHBondContact O-N 3.31Å; A452-F459 HydrophobicContact CB-CD1 4.03Å; A452-F459 HydrophobicContact CB-CD2 4.01Å; A452-F459 HydrophobicContact CB-CE1 3.92Å; A452-F459 HydrophobicContact CB-CE2 3.91Å; A452-F459 HydrophobicContact CB-CG 4.05Å; A452-F459 HydrophobicContact CB-CZ 3.82Å
453	K	88.5	Confident	93.2	Very high	109 Å²	109	72.8 Å²	72.8	47%	0.474	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-101.8	120.7	-176.9	-61.5	-172.4	179.5	-178.9	0	110.1	D451 D455 L456 F459	D451-K453 PolarHBondContact O-N 3.09Å; K453-D455 WeakPolarHBondContact CB-OD1 3.28Å; K453-D455 PolarHBondContact O-N 3.34Å; K453-D455 VanDerWaalsContact O-N 3.13Å; K453-L456 HydrophobicContact CB-CD1 3.84Å; K453-L456 HydrophobicContact CB-CG 3.91Å; K453-L456 HydrophobicContact CD-CD1 4.19Å; K453-L456 HydrophobicContact CG-CD1 4.32Å; K453-L456 PolarHBondContact O-N 3.14Å; K453-F459 WeakPolarHBondContact O-CD2 3.26Å
454	P	87.9	Confident	93.2	Very high	61 Å²	61	69.9 Å²	69.9	40%	0.396	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-21.5	-171.5	26.3	-35.6	0	0	0	113.7	P425 Q460	P425-P454 HydrophobicContact CB-CB 4.39Å; P425-P454 HydrophobicContact CG-CB 3.38Å; P425-P454 WeakPolarHBondContact CG-O 3.47Å; P454-Q460 PolarHBondContact O-NE2 2.85Å
455	D	91	Very high	93.2	Very high	121 Å²	121	69 Å²	69	65%	0.647	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-16.3	177	54.3	-60.7	0	0	0	113.8	K453	K453-D455 WeakPolarHBondContact CB-OD1 3.28Å; K453-D455 PolarHBondContact O-N 3.34Å; K453-D455 VanDerWaalsContact O-N 3.13Å
456	L	91.1	Very high	93.2	Very high	54 Å²	54	71 Å²	71	28%	0.283	36%	0.36	S	S	.	.	S	Bend	trans	-83.9	132.5	-178.8	-62.6	178.9	0	0	0	111.9	K453 A458 F459 F471	K453-L456 HydrophobicContact CB-CD1 3.84Å; K453-L456 HydrophobicContact CB-CG 3.91Å; K453-L456 HydrophobicContact CD-CD1 4.19Å; K453-L456 HydrophobicContact CG-CD1 4.32Å; K453-L456 PolarHBondContact O-N 3.14Å; L456-A458 PolarHBondContact O-N 2.92Å; L456-F459 HydrophobicContact CB-CD2 4.01Å; L456-F459 HydrophobicContact CB-CE2 4.46Å; L456-F459 HydrophobicContact CD1-CD2 4.45Å; L456-F459 HydrophobicContact CD1-CE2 4.12Å; L456-F459 PolarHBondContact O-N 2.84Å; L456-F459 VanDerWaalsContact O-N 3.08Å; L456-F471 HydrophobicContact CD1-CD2 3.59Å; L456-F471 HydrophobicContact CD1-CE2 3.36Å; L456-F471 HydrophobicContact CD1-CG 4.47Å; L456-F471 HydrophobicContact CD1-CZ 4.05Å
457	L	92	Very high	92.7	Very high	119 Å²	119	69 Å²	69	62%	0.623	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-58.2	-23	177.1	-65	178.5	0	0	0	114	F459 Q460 N467 K469	L457-F459 PolarHBondContact O-N 3.27Å; L457-Q460 HydrophobicContact CD2-CG 4.37Å; L457-Q460 PolarHBondContact O-N 3.16Å; L457-N467 PolarHBondContact O-ND2 3.39Å; L457-K469 HydrophobicContact CB-CG 4.31Å
458	A	90.7	Very high	92.3	Very high	7 Å²	7	69.3 Å²	69.3	6%	0.058	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-64.1	-23.9	177.7	0	0	0	0	0	113.3	T413 L456 K469 F471	T413-A458 WeakPolarHBondContact CG2-O 3.37Å; T413-A458 PolarHBondContact OG1-O 3.42Å; L456-A458 PolarHBondContact O-N 2.92Å; A458-K469 VanDerWaalsContact CA-O 3.32Å; A458-K469 WeakPolarHBondContact CA-O 3.43Å; A458-K469 HydrophobicContact CB-CB 4.29Å; A458-K469 VanDerWaalsContact CB-O 3.25Å; A458-K469 WeakPolarHBondContact CB-O 3.45Å; A458-F471 HydrophobicContact CB-CB 3.92Å
459	F	92.8	Very high	91.8	Very high	3 Å²	3	71.6 Å²	71.6	1%	0.013	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-110.3	4.2	-175.1	-57.8	-56.6	0	0	0	113.9	P425 F426 I430 A452 K453 L456 L457 F471	P425-F459 WeakPolarHBondContact CA-O 3.34Å; P425-F459 WeakPolarHBondContact CB-O 3.26Å; F426-F459 HydrophobicContact CB-CB 4.25Å; F426-F459 AromaticContact CD1-CD1 3.6Å; F426-F459 HydrophobicContact CD1-CD1 3.6Å; F426-F459 HydrophobicContact CD1-CE1 4.07Å; F426-F459 HydrophobicContact CD1-CG 4.26Å; F426-F459 HydrophobicContact CE1-CD1 4.3Å; F426-F459 HydrophobicContact CE1-CE1 4.33Å; F426-F459 PolarHBondContact N-O 2.73Å; I430-F459 HydrophobicContact CD1-CE1 3.97Å; I430-F459 HydrophobicContact CD1-CZ 4.4Å; A452-F459 HydrophobicContact CB-CD1 4.03Å; A452-F459 HydrophobicContact CB-CD2 4.01Å; A452-F459 HydrophobicContact CB-CE1 3.92Å; A452-F459 HydrophobicContact CB-CE2 3.91Å; A452-F459 HydrophobicContact CB-CG 4.05Å; A452-F459 HydrophobicContact CB-CZ 3.82Å; K453-F459 WeakPolarHBondContact O-CD2 3.26Å; L456-F459 HydrophobicContact CB-CD2 4.01Å; L456-F459 HydrophobicContact CB-CE2 4.46Å; L456-F459 HydrophobicContact CD1-CD2 4.45Å; L456-F459 HydrophobicContact CD1-CE2 4.12Å; L456-F459 PolarHBondContact O-N 2.84Å; L456-F459 VanDerWaalsContact O-N 3.08Å; L457-F459 PolarHBondContact O-N 3.27Å; F459-F471 HydrophobicContact CE1-CB 4.23Å; F459-F471 HydrophobicContact CE1-CD1 4.49Å; F459-F471 HydrophobicContact CE2-CB 4.04Å; F459-F471 AromaticContact CE2-CD1 3.76Å; F459-F471 HydrophobicContact CE2-CD1 3.76Å; F459-F471 HydrophobicContact CE2-CD2 4.33Å; F459-F471 HydrophobicContact CE2-CE1 4.21Å; F459-F471 AromaticContact CE2-CG 3.79Å; F459-F471 HydrophobicContact CE2-CG 3.79Å; F459-F471 HydrophobicContact CZ-CB 3.6Å; F459-F471 AromaticContact CZ-CD1 3.35Å; F459-F471 HydrophobicContact CZ-CD1 3.35Å; F459-F471 HydrophobicContact CZ-CE1 4.09Å; F459-F471 AromaticContact CZ-CG 3.6Å; F459-F471 HydrophobicContact CZ-CG 3.6Å
460	Q	92.9	Very high	91.4	Very high	69 Å²	69	69 Å²	69	32%	0.322	36%	0.362	S	S	.	.	S	Bend	trans	-71.9	158.5	170.9	-60.3	-58.8	-31.8	0	0	110.9	P454 L457 P462	P454-Q460 PolarHBondContact O-NE2 2.85Å; L457-Q460 HydrophobicContact CD2-CG 4.37Å; L457-Q460 PolarHBondContact O-N 3.16Å; Q460-P462 WeakPolarHBondContact O-CD 3.15Å
461	R	94.1	Very high	91.3	Very high	135 Å²	135	70.9 Å²	70.9	51%	0.509	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-57.2	123	177.2	-174	176.1	174.7	-162.3	-0.1	110.2	W424 T463	W424-R461 HydrophobicContact CB-CB 4.3Å; W424-R461 HydrophobicContact CD2-CB 3.56Å; W424-R461 HydrophobicContact CD2-CG 4Å; W424-R461 VanDerWaalsContact CE3-CA 3.41Å; W424-R461 HydrophobicContact CE3-CB 3.92Å; W424-R461 VanDerWaalsContact CE3-N 3.31Å; W424-R461 HydrophobicContact CG-CB 3.73Å; W424-R461 HydrophobicContact CG-CG 4.23Å; W424-R461 HydrophobicContact CZ2-CB 4.38Å; W424-R461 HydrophobicContact CZ2-CG 4.07Å; W424-R461 HydrophobicContact CZ3-CB 4.47Å; R461-T463 PolarHBondContact O-N 3.23Å
462	P	90.9	Very high	91.3	Very high	6 Å²	6	68.5 Å²	68.5	4%	0.039	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-70.3	129.2	-177.6	25.1	-30.2	0	0	0	111.3	M414 Q415 W424 Q460 N467	M414-P462 VanDerWaalsContact O-CG 3.26Å; M414-P462 WeakPolarHBondContact O-CG 3.44Å; Q415-P462 HydrophobicContact CG-CB 4.21Å; Q415-P462 HydrophobicContact CG-CG 4.22Å; Q415-P462 WeakPolarHBondContact CG-O 3.26Å; Q415-P462 PolarHBondContact NE2-O 3.27Å; W424-P462 HydrophobicContact CH2-CG 4.3Å; Q460-P462 WeakPolarHBondContact O-CD 3.15Å; P462-N467 HydrophobicContact CB-CB 4.49Å
463	T	90.6	Very high	91.5	Very high	124 Å²	124	70.6 Å²	70.6	76%	0.761	37%	0.368	S	S	*	.	S	Bend	trans	-97.3	-6.9	176.2	53.8	0	0	0	0	113.1	Q415 R461	Q415-T463 PolarHBondContact NE2-O 3.35Å; R461-T463 PolarHBondContact O-N 3.23Å
464	I	91.3	Very high	91.8	Very high	84 Å²	84	68.8 Å²	68.8	43%	0.431	37%	0.367	S	S	.	.	S	Bend	trans	-132.5	160.4	177.9	54	169.2	0	0	0	109.3	Q415 R466 P468	Q415-I464 WeakPolarHBondContact CG-O 3.46Å; I464-R466 PolarHBondContact O-N 3.16Å; I464-P468 HydrophobicContact CD1-CG 4.29Å
465	P	94	Very high	92.2	Very high	94 Å²	94	69.2 Å²	69.2	61%	0.61	37%	0.368	S	S	*	.	S	Bend	trans	-51.7	-36.6	-169.1	-32.1	36.6	0	0	0	115.3	M414 Q415	M414-P465 VanDerWaalsContact CA-O 3.32Å; M414-P465 WeakPolarHBondContact CA-O 3.33Å; M414-P465 WeakPolarHBondContact CB-O 3.19Å; Q415-P465 PolarHBondContact N-O 3.07Å; Q415-P465 VanDerWaalsContact N-O 3.09Å
466	R	95	Very high	92.6	Very high	110 Å²	110	63.7 Å²	63.7	42%	0.415	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-135.6	126.1	171.9	-179.3	175.6	63.2	-131.2	0.8	109.5	C390 H412 M414 I464 P468	C390-R466 WeakPolarHBondContact SG-CD 3.26Å; H412-R466 HydrophobicContact CB-CG 4.08Å; M414-R466 HydrophobicContact CE-CB 4.37Å; M414-R466 HydrophobicContact CG-CB 4.29Å; M414-R466 HydrophobicContact CG-CG 4.22Å; I464-R466 PolarHBondContact O-N 3.16Å; R466-P468 WeakPolarHBondContact O-CD 3.4Å
467	N	88.6	Confident	92.9	Very high	18 Å²	18	61.2 Å²	61.2	10%	0.096	33%	0.325	C	S	.	.			trans	-64.4	121.6	174.4	-172.6	-15.1	0	0	0	109.7	H412 T413 L457 P462 K469	H412-N467 PolarHBondContact ND1-O 2.91Å; T413-N467 VanDerWaalsContact O-CB 3.3Å; T413-N467 WeakPolarHBondContact O-CB 3.37Å; T413-N467 PolarHBondContact O-N 3.21Å; T413-N467 WeakPolarHBondContact OG1-CB 3.21Å; T413-N467 PolarHBondContact OG1-ND2 3.36Å; L457-N467 PolarHBondContact O-ND2 3.39Å; P462-N467 HydrophobicContact CB-CB 4.49Å; N467-K469 PolarHBondContact O-N 3.16Å; N467-K469 WeakPolarHBondContact OD1-CB 3.31Å; N467-K469 PolarHBondContact OD1-N 2.82Å
468	P	88.8	Confident	93.2	Very high	87 Å²	87	58.9 Å²	58.9	57%	0.565	31%	0.311	S	S	*	.	S	Bend	trans	-67.6	-21.3	-179.3	26.6	-35.9	0	0	0	112.4	H412 I464 R466 G470	H412-P468 PolarHBondContact CE1-O 2.78Å; I464-P468 HydrophobicContact CD1-CG 4.29Å; R466-P468 WeakPolarHBondContact O-CD 3.4Å; P468-G470 PolarHBondContact O-N 2.98Å
469	K	87.1	Confident	93.5	Very high	125 Å²	125	59.5 Å²	59.5	54%	0.543	31%	0.313	S	S	.	.			trans	-82.1	101.7	174.8	-57.3	-59.6	-176.5	-179	0	108.8	L457 A458 N467	L457-K469 HydrophobicContact CB-CG 4.31Å; A458-K469 VanDerWaalsContact CA-O 3.32Å; A458-K469 WeakPolarHBondContact CA-O 3.43Å; A458-K469 HydrophobicContact CB-CB 4.29Å; A458-K469 VanDerWaalsContact CB-O 3.25Å; A458-K469 WeakPolarHBondContact CB-O 3.45Å; N467-K469 PolarHBondContact O-N 3.16Å; N467-K469 WeakPolarHBondContact OD1-CB 3.31Å; N467-K469 PolarHBondContact OD1-N 2.82Å
470	G	90.2	Very high	93.6	Very high	25 Å²	25	63.5 Å²	63.5	26%	0.258	33%	0.332	S	S	.	.			trans	-90.2	158.8	169.8	0	0	0	0	0	111.5	V411 H412 P468	V411-G470 CarbonylContact O-C 3.6Å; V411-G470 VanDerWaalsContact O-CA 3.27Å; V411-G470 WeakPolarHBondContact O-CA 3.33Å; H412-G470 WeakPolarHBondContact CE1-CA 3.15Å; H412-G470 PolarHBondContact CE1-N 3.15Å; H412-G470 VanDerWaalsContact CE1-N 3.31Å; H412-G470 WeakPolarHBondContact ND1-CA 3.28Å; H412-G470 PolarHBondContact ND1-N 3.45Å; P468-G470 PolarHBondContact O-N 2.98Å
471	F	92.8	Very high	93.8	Very high	51 Å²	51	61 Å²	61	22%	0.224	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	137.7	173.4	-173.2	-105.2	0	0	0	110.2	F410 V411 M450 L456 A458 F459	F410-F471 CarbonylContact C-O 3.49Å; F410-F471 WeakPolarHBondContact CA-O 3.17Å; V411-F471 PolarHBondContact N-O 3.42Å; V411-F471 PolarHBondContact O-N 2.88Å; M450-F471 HydrophobicContact CB-CE1 3.87Å; M450-F471 HydrophobicContact CE-CD1 4.04Å; M450-F471 HydrophobicContact CG-CD1 4.12Å; M450-F471 HydrophobicContact CG-CE1 3.88Å; M450-F471 HydrophobicContact SD-CD1 3.31Å; M450-F471 WeakPolarHBondContact SD-CD1 3.37Å; M450-F471 HydrophobicContact SD-CE1 3.5Å; M450-F471 VanDerWaalsContact SD-CE1 3.5Å; M450-F471 HydrophobicContact SD-CG 4.43Å; L456-F471 HydrophobicContact CD1-CD2 3.59Å; L456-F471 HydrophobicContact CD1-CE2 3.36Å; L456-F471 HydrophobicContact CD1-CG 4.47Å; L456-F471 HydrophobicContact CD1-CZ 4.05Å; A458-F471 HydrophobicContact CB-CB 3.92Å; F459-F471 HydrophobicContact CE1-CB 4.23Å; F459-F471 HydrophobicContact CE1-CD1 4.49Å; F459-F471 HydrophobicContact CE2-CB 4.04Å; F459-F471 AromaticContact CE2-CD1 3.76Å; F459-F471 HydrophobicContact CE2-CD1 3.76Å; F459-F471 HydrophobicContact CE2-CD2 4.33Å; F459-F471 HydrophobicContact CE2-CE1 4.21Å; F459-F471 AromaticContact CE2-CG 3.79Å; F459-F471 HydrophobicContact CE2-CG 3.79Å; F459-F471 HydrophobicContact CZ-CB 3.6Å; F459-F471 AromaticContact CZ-CD1 3.35Å; F459-F471 HydrophobicContact CZ-CD1 3.35Å; F459-F471 HydrophobicContact CZ-CE1 4.09Å; F459-F471 AromaticContact CZ-CG 3.6Å; F459-F471 HydrophobicContact CZ-CG 3.6Å
472	G	95.5	Very high	93.9	Very high	24 Å²	24	55.1 Å²	55.1	25%	0.247	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157.7	-152.1	-174	0	0	0	0	0	112.1	L409	L409-G472 CarbonylContact O-C 3.55Å; L409-G472 WeakPolarHBondContact O-CA 3.45Å
473	Y	96.5	Very high	93.9	Very high	56 Å²	56	63.3 Å²	63.3	22%	0.22	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	123.1	-165.5	-58.5	-93.1	0	0	0	110.7	S408 L409 L432 E448 I449 M450 F476	S408-Y473 CarbonylContact C-O 3.53Å; S408-Y473 WeakPolarHBondContact CA-O 3.23Å; S408-Y473 WeakPolarHBondContact CB-O 3.45Å; L409-Y473 PolarHBondContact N-O 2.7Å; L409-Y473 PolarHBondContact O-N 2.87Å; L432-Y473 HydrophobicContact CD1-CD2 4.43Å; E448-Y473 HydrophobicContact CB-CD2 4.07Å; E448-Y473 HydrophobicContact CB-CE1 4.05Å; E448-Y473 HydrophobicContact CB-CE2 3.51Å; E448-Y473 VanDerWaalsContact CB-CZ 3.49Å; E448-Y473 HydrophobicContact CG-CD1 4.39Å; E448-Y473 HydrophobicContact CG-CD2 4.49Å; E448-Y473 HydrophobicContact CG-CE1 4.16Å; E448-Y473 HydrophobicContact CG-CE2 4.3Å; I449-Y473 PolarHBondContact O-OH 3.11Å; M450-Y473 HydrophobicContact CB-CE2 4.41Å; M450-Y473 HydrophobicContact SD-CE2 3.91Å; Y473-F476 AromaticContact CD2-CD2 3.8Å; Y473-F476 HydrophobicContact CD2-CD2 3.8Å; Y473-F476 HydrophobicContact CD2-CE2 4.31Å; Y473-F476 HydrophobicContact CG-CD2 4.08Å
474	V	94.5	Very high	94	Very high	72 Å²	72	64.4 Å²	64.4	44%	0.436	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	-39.3	172.4	-179.6	0	0	0	0	110.3	C403 S408 F410	C403-V474 HydrophobicContact CB-CG1 3.97Å; S408-V474 WeakPolarHBondContact CA-O 3.26Å; S408-V474 VanDerWaalsContact CB-O 3.29Å; S408-V474 WeakPolarHBondContact CB-O 3.34Å; S408-V474 PolarHBondContact OG-O 3.13Å; F410-V474 HydrophobicContact CE1-CG2 4.34Å; F410-V474 HydrophobicContact CZ-CG2 4.02Å
475	T	96.8	Very high	94	Very high	70 Å²	70	65.1 Å²	65.1	43%	0.429	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	65	179	53.7	0	0	0	0	109.7	C403 Y406	C403-T475 HydrophobicContact CB-CG2 3.7Å; Y406-T475 VanDerWaalsContact CD1-CA 3.44Å; Y406-T475 HydrophobicContact CD1-CG2 4.01Å; Y406-T475 HydrophobicContact CD2-CG2 3.99Å; Y406-T475 HydrophobicContact CE1-CG2 4.27Å; Y406-T475 HydrophobicContact CE2-CG2 4.23Å; Y406-T475 HydrophobicContact CG-CG2 3.86Å
476	F	98.3	Very high	94.1	Very high	5 Å²	5	63.5 Å²	63.5	2%	0.022	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	-57	-176.9	-175.1	-93.2	0	0	0	111	I407 L409 L432 I434 H446 E448 Y473	I407-F476 WeakPolarHBondContact O-CA 3.27Å; I407-F476 WeakPolarHBondContact O-CB 3.44Å; I407-F476 PolarHBondContact O-N 3.01Å; L409-F476 HydrophobicContact CB-CB 4.17Å; L409-F476 HydrophobicContact CB-CD1 4.43Å; L409-F476 HydrophobicContact CB-CD2 4.12Å; L409-F476 HydrophobicContact CB-CG 3.99Å; L409-F476 HydrophobicContact CD2-CD1 4.42Å; L409-F476 HydrophobicContact CD2-CD2 4.41Å; L409-F476 HydrophobicContact CD2-CE1 4.2Å; L409-F476 HydrophobicContact CD2-CE2 4.16Å; L409-F476 HydrophobicContact CD2-CZ 4.07Å; L432-F476 HydrophobicContact CB-CE2 3.65Å; L432-F476 HydrophobicContact CB-CZ 4Å; L432-F476 WeakPolarHBondContact O-CZ 3.33Å; I434-F476 HydrophobicContact CB-CE1 4.4Å; I434-F476 HydrophobicContact CD1-CD1 3.78Å; I434-F476 HydrophobicContact CD1-CE1 3.68Å; I434-F476 HydrophobicContact CG1-CD1 4.33Å; I434-F476 HydrophobicContact CG1-CE1 3.73Å; H446-F476 AromaticContact CD2-CD1 3.94Å; H446-F476 AromaticContact CD2-CE1 3.57Å; H446-F476 PolarHBondContact NE2-O 2.94Å; E448-F476 HydrophobicContact CB-CD2 4.23Å; E448-F476 HydrophobicContact CB-CE2 3.72Å; E448-F476 HydrophobicContact CG-CD2 4.04Å; E448-F476 HydrophobicContact CG-CE2 3.85Å; Y473-F476 AromaticContact CD2-CD2 3.8Å; Y473-F476 HydrophobicContact CD2-CD2 3.8Å; Y473-F476 HydrophobicContact CD2-CE2 4.31Å; Y473-F476 HydrophobicContact CG-CD2 4.08Å
477	M	97.9	Very high	94.2	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	132.4	178.3	173.6	-170.1	-79.7	0	0	109.4	Y406 I407 I434 H446 A481 L482 F487	Y406-M477 CarbonylContact C-O 3.58Å; I407-M477 HydrophobicContact CB-CB 4.48Å; I407-M477 WeakPolarHBondContact CB-O 3.45Å; I407-M477 HydrophobicContact CD1-CB 4.41Å; I407-M477 HydrophobicContact CD1-CG 4.49Å; I407-M477 HydrophobicContact CD1-SD 4.1Å; I407-M477 PolarHBondContact N-O 3.11Å; I407-M477 PolarHBondContact O-N 3.02Å; I434-M477 HydrophobicContact CB-CE 3.9Å; I434-M477 HydrophobicContact CD1-CB 4.11Å; I434-M477 HydrophobicContact CD1-CE 4Å; I434-M477 HydrophobicContact CD1-SD 3.86Å; I434-M477 HydrophobicContact CG2-CE 3.89Å; I434-M477 HydrophobicContact CG2-SD 4.35Å; H446-M477 HydrophobicContact CB-CE 3.03Å; M477-A481 HydrophobicContact CG-CB 3.86Å; M477-A481 HydrophobicContact SD-CB 4.23Å; M477-L482 HydrophobicContact SD-CD2 3.77Å; M477-L482 HydrophobicContact SD-CG 4.28Å; M477-F487 HydrophobicContact CE-CD1 4.38Å; M477-F487 HydrophobicContact CE-CE1 4.04Å; M477-F487 HydrophobicContact CE-CE2 4.15Å; M477-F487 HydrophobicContact CE-CZ 3.91Å
478	H	97.7	Very high	94.6	Very high	69 Å²	69	60.2 Å²	60.2	32%	0.319	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	137.9	172.2	-169.6	-88.4	0	0	0	110.3	Y406 E480 A481	Y406-H478 HydrophobicContact CD1-CB 4.18Å; Y406-H478 AromaticContact CD2-CD2 3.86Å; Y406-H478 HydrophobicContact CE1-CB 3.86Å; Y406-H478 HydrophobicContact CE2-CB 4.46Å; Y406-H478 AromaticContact CE2-CD2 3.57Å; Y406-H478 AromaticContact CZ-CD2 3.91Å; H478-E480 VanDerWaalsContact ND1-CB 3.28Å; H478-E480 WeakPolarHBondContact ND1-CB 3.47Å; H478-E480 PolarHBondContact ND1-N 3.02Å; H478-E480 VanDerWaalsContact ND1-N 3.16Å; H478-E480 PolarHBondContact O-N 3.07Å; H478-E480 VanDerWaalsContact O-N 3.16Å; H478-A481 WeakPolarHBondContact O-CB 3.37Å; H478-A481 PolarHBondContact O-N 3.43Å
479	L	97.3	Very high	95	Very high	20 Å²	20	59.8 Å²	59.8	11%	0.105	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-56.4	-34.6	-176.4	-75.7	176.3	0	0	0	112.9	L364 Q367 L395 N405 I407 A481 L482	L364-L479 HydrophobicContact CD2-CD1 4.44Å; L364-L479 HydrophobicContact CD2-CD2 3.64Å; Q367-L479 HydrophobicContact CG-CD1 4.46Å; L395-L479 HydrophobicContact CD2-CD2 4.13Å; N405-L479 HydrophobicContact CB-CB 4.4Å; N405-L479 HydrophobicContact CB-CD1 4.12Å; N405-L479 WeakPolarHBondContact O-CB 3.25Å; N405-L479 VanDerWaalsContact O-CG 3.23Å; N405-L479 WeakPolarHBondContact O-CG 3.26Å; N405-L479 PolarHBondContact O-N 3.01Å; I407-L479 HydrophobicContact CD1-CD2 4.12Å; I407-L479 HydrophobicContact CG1-CD2 3.63Å; I407-L479 HydrophobicContact CG1-CG 4.41Å; L479-A481 PolarHBondContact O-N 2.91Å; L479-L482 HydrophobicContact CD2-CD1 3.66Å; L479-L482 WeakPolarHBondContact O-CB 3.39Å; L479-L482 WeakPolarHBondContact O-CG 3.31Å; L479-L482 PolarHBondContact O-N 3.38Å
480	E	95.5	Very high	95.4	Very high	87 Å²	87	60.5 Å²	60.5	41%	0.407	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-60	-26.9	175.9	-160.4	61.2	-153.1	0	0	113.1	H478 L482 R483	H478-E480 VanDerWaalsContact ND1-CB 3.28Å; H478-E480 WeakPolarHBondContact ND1-CB 3.47Å; H478-E480 PolarHBondContact ND1-N 3.02Å; H478-E480 VanDerWaalsContact ND1-N 3.16Å; H478-E480 PolarHBondContact O-N 3.07Å; H478-E480 VanDerWaalsContact O-N 3.16Å; E480-L482 PolarHBondContact O-N 3.36Å; E480-R483 VanDerWaalsContact CD-NH1 3.27Å; E480-R483 PolarHBondContact O-N 3.07Å; E480-R483 VanDerWaalsContact O-N 3.15Å; E480-R483 WeakPolarHBondContact OE1-CD 3.49Å; E480-R483 IonicContact OE1-CZ 3.76Å; E480-R483 IonicContact OE1-NE 2.85Å; E480-R483 IonicContact OE1-NH1 3.63Å; E480-R483 PolarHBondContact OE1-NH1 2.79Å; E480-R483 IonicContact OE2-CZ 3.41Å; E480-R483 IonicContact OE2-NH1 3.87Å; E480-R483 PolarHBondContact OE2-NH1 3.05Å
481	A	96	Very high	95.7	Very high	16 Å²	16	62.5 Å²	62.5	13%	0.132	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-65.3	-24.7	175.8	0	0	0	0	0	112.2	M477 H478 L479 R483 Q484 F487	M477-A481 HydrophobicContact CG-CB 3.86Å; M477-A481 HydrophobicContact SD-CB 4.23Å; H478-A481 WeakPolarHBondContact O-CB 3.37Å; H478-A481 PolarHBondContact O-N 3.43Å; L479-A481 PolarHBondContact O-N 2.91Å; A481-R483 PolarHBondContact O-N 3.32Å; A481-Q484 WeakPolarHBondContact O-CB 3.42Å; A481-Q484 PolarHBondContact O-N 3.43Å; A481-Q484 VanDerWaalsContact O-N 3.1Å; A481-F487 WeakPolarHBondContact O-CD2 3.36Å; A481-F487 WeakPolarHBondContact O-CE2 3.14Å
482	L	95.7	Very high	96	Very high	13 Å²	13	61.6 Å²	61.6	7%	0.068	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-60.5	-26.8	174.8	-63.5	172	0	0	0	112.4	F360 L364 I407 M477 L479 E480 F487 I488 L493	F360-L482 HydrophobicContact CE1-CD1 3.99Å; L364-L482 HydrophobicContact CD2-CD1 4.16Å; I407-L482 HydrophobicContact CD1-CD1 4.12Å; I407-L482 HydrophobicContact CD1-CD2 4.07Å; I407-L482 HydrophobicContact CD1-CG 4.28Å; M477-L482 HydrophobicContact SD-CD2 3.77Å; M477-L482 HydrophobicContact SD-CG 4.28Å; L479-L482 HydrophobicContact CD2-CD1 3.66Å; L479-L482 WeakPolarHBondContact O-CB 3.39Å; L479-L482 WeakPolarHBondContact O-CG 3.31Å; L479-L482 PolarHBondContact O-N 3.38Å; E480-L482 PolarHBondContact O-N 3.36Å; L482-F487 HydrophobicContact CD2-CB 3.75Å; L482-F487 HydrophobicContact CD2-CG 4.33Å; L482-I488 HydrophobicContact CD1-CD1 4.18Å; L482-L493 HydrophobicContact CD2-CD1 3.94Å
483	R	92.2	Very high	96.1	Very high	177 Å²	177	60.4 Å²	60.4	67%	0.668	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-83.9	-16.6	179.2	-62.5	-178.9	-177.4	155.4	-1.5	113.3	E480 A481 R485	E480-R483 VanDerWaalsContact CD-NH1 3.27Å; E480-R483 PolarHBondContact O-N 3.07Å; E480-R483 VanDerWaalsContact O-N 3.15Å; E480-R483 WeakPolarHBondContact OE1-CD 3.49Å; E480-R483 IonicContact OE1-CZ 3.76Å; E480-R483 IonicContact OE1-NE 2.85Å; E480-R483 IonicContact OE1-NH1 3.63Å; E480-R483 PolarHBondContact OE1-NH1 2.79Å; E480-R483 IonicContact OE2-CZ 3.41Å; E480-R483 IonicContact OE2-NH1 3.87Å; E480-R483 PolarHBondContact OE2-NH1 3.05Å; A481-R483 PolarHBondContact O-N 3.32Å; R483-R485 VanDerWaalsContact C-N 3.32Å
484	Q	91.7	Very high	96.2	Very high	148 Å²	148	59.1 Å²	59.1	69%	0.692	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-23.9	-176.1	-62.2	175.3	1.9	0	0	112.2	A481	A481-Q484 WeakPolarHBondContact O-CB 3.42Å; A481-Q484 PolarHBondContact O-N 3.43Å; A481-Q484 VanDerWaalsContact O-N 3.1Å
485	R	92.6	Very high	96.4	Very high	98 Å²	98	55.7 Å²	55.7	37%	0.37	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.8	175	-177.3	-63.5	-174.8	167.9	-91.4	-3.8	111	D436 Q444 R483 F487	D436-R485 IonicContact OD2-NH1 3.47Å; D436-R485 PolarHBondContact OD2-NH1 3.31Å; Q444-R485 VanDerWaalsContact CB-CZ 3.43Å; R483-R485 VanDerWaalsContact C-N 3.32Å; R485-F487 HydrophobicContact CB-CD2 3.91Å; R485-F487 HydrophobicContact CB-CE2 3.7Å; R485-F487 HydrophobicContact CB-CZ 4.25Å; R485-F487 HydrophobicContact CG-CE2 4.27Å; R485-F487 PolarHBondContact O-N 2.98Å
486	T	95.4	Very high	96.5	Very high	61 Å²	61	54.6 Å²	54.6	37%	0.374	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	60	178.3	-44.3	0	0	0	0	111.2	Q437 I488 K489	Q437-T486 WeakPolarHBondContact CA-O 3.4Å; Q437-T486 VanDerWaalsContact CB-O 3.31Å; Q437-T486 WeakPolarHBondContact CB-O 3.35Å; Q437-T486 PolarHBondContact N-O 3.4Å; T486-I488 VanDerWaalsContact C-N 3.33Å; T486-K489 HydrophobicContact CG2-CB 4.29Å
487	F	97.5	Very high	96.4	Very high	9 Å²	9	54.4 Å²	54.4	4%	0.039	26%	0.257	C	S	.	.			trans	-72.9	-30.6	175	-70.9	-66	0	0	0	112.1	I434 L435 D436 Q437 H446 M477 A481 L482 R485 L493	I434-F487 HydrophobicContact CG2-CB 4.4Å; I434-F487 HydrophobicContact CG2-CD1 3.65Å; I434-F487 HydrophobicContact CG2-CE1 4.23Å; I434-F487 HydrophobicContact CG2-CG 4.26Å; L435-F487 WeakPolarHBondContact O-CD1 3.44Å; D436-F487 HydrophobicContact CB-CD1 4.39Å; D436-F487 HydrophobicContact CB-CE1 4.07Å; Q437-F487 PolarHBondContact NE2-O 3.28Å; H446-F487 HydrophobicContact CB-CZ 4.47Å; M477-F487 HydrophobicContact CE-CD1 4.38Å; M477-F487 HydrophobicContact CE-CE1 4.04Å; M477-F487 HydrophobicContact CE-CE2 4.15Å; M477-F487 HydrophobicContact CE-CZ 3.91Å; A481-F487 WeakPolarHBondContact O-CD2 3.36Å; A481-F487 WeakPolarHBondContact O-CE2 3.14Å; L482-F487 HydrophobicContact CD2-CB 3.75Å; L482-F487 HydrophobicContact CD2-CG 4.33Å; R485-F487 HydrophobicContact CB-CD2 3.91Å; R485-F487 HydrophobicContact CB-CE2 3.7Å; R485-F487 HydrophobicContact CB-CZ 4.25Å; R485-F487 HydrophobicContact CG-CE2 4.27Å; R485-F487 PolarHBondContact O-N 2.98Å; F487-L493 HydrophobicContact CB-CD1 4.24Å
488	I	96.8	Very high	96.4	Very high	49 Å²	49	56.6 Å²	56.6	25%	0.251	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	124.9	173.5	-57.9	166.9	0	0	0	108.2	F360 L364 L482 T486 T492 L493	F360-I488 HydrophobicContact CD1-CD1 3.57Å; F360-I488 HydrophobicContact CD1-CG1 4.04Å; F360-I488 HydrophobicContact CE1-CD1 4.05Å; L364-I488 HydrophobicContact CD1-CD1 3.89Å; L482-I488 HydrophobicContact CD1-CD1 4.18Å; T486-I488 VanDerWaalsContact C-N 3.33Å; I488-T492 WeakPolarHBondContact CA-O 3.29Å; I488-L493 HydrophobicContact CG1-CD1 4.23Å
489	K	96.1	Very high	96.3	Very high	79 Å²	79	53.8 Å²	53.8	34%	0.343	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	133.8	174.1	-177.2	177.6	178.4	172.5	0	108	Q437 E439 T486 D491 T492	Q437-K489 HydrophobicContact CB-CB 4.02Å; Q437-K489 HydrophobicContact CB-CD 4.32Å; E439-K489 IonicContact OE1-NZ 2.69Å; T486-K489 HydrophobicContact CG2-CB 4.29Å; K489-D491 PolarHBondContact O-N 3.2Å; K489-T492 PolarHBondContact N-O 3.21Å; K489-T492 VanDerWaalsContact N-O 3.14Å; K489-T492 WeakPolarHBondContact O-CA 3.47Å; K489-T492 VanDerWaalsContact O-CB 3.31Å; K489-T492 WeakPolarHBondContact O-CB 3.27Å; K489-T492 PolarHBondContact O-N 2.73Å
490	D	96.3	Very high	96.2	Very high	139 Å²	139	56 Å²	56	74%	0.743	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	47.7	-177.7	-51.7	-40.7	0	0	0	112.2	T492	D490-T492 PolarHBondContact O-N 3Å; D490-T492 PolarHBondContact O-OG1 3.15Å; D490-T492 VanDerWaalsContact O-OG1 3.05Å
491	D	97.4	Very high	95.9	Very high	67 Å²	67	53.8 Å²	53.8	36%	0.358	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	26.8	-175.6	-156.3	19.8	0	0	0	115.3	G358 N359 F360 G361 K489	G358-D491 CarbonylContact C-O 3.55Å; N359-D491 VanDerWaalsContact CA-OD2 3.24Å; N359-D491 WeakPolarHBondContact CA-OD2 3.38Å; N359-D491 PolarHBondContact N-O 3.3Å; F360-D491 PolarHBondContact N-O 3.35Å; F360-D491 PolarHBondContact N-OD1 2.75Å; G361-D491 WeakPolarHBondContact CA-OD1 3.44Å; G361-D491 PolarHBondContact N-OD1 3.49Å; K489-D491 PolarHBondContact O-N 3.2Å
492	T	98.3	Very high	95.2	Very high	32 Å²	32	59.9 Å²	59.9	20%	0.196	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.1	-175.3	-58.6	0	0	0	0	111.6	K356 I357 Q437 I488 K489 D490 L494	K356-T492 HydrophobicContact CB-CG2 4.3Å; I357-T492 CarbonylContact O-C 3.59Å; I357-T492 VanDerWaalsContact O-CA 3.28Å; I357-T492 WeakPolarHBondContact O-CA 3.28Å; Q437-T492 PolarHBondContact NE2-O 3.4Å; I488-T492 WeakPolarHBondContact CA-O 3.29Å; K489-T492 PolarHBondContact N-O 3.21Å; K489-T492 VanDerWaalsContact N-O 3.14Å; K489-T492 WeakPolarHBondContact O-CA 3.47Å; K489-T492 VanDerWaalsContact O-CB 3.31Å; K489-T492 WeakPolarHBondContact O-CB 3.27Å; K489-T492 PolarHBondContact O-N 2.73Å; D490-T492 PolarHBondContact O-N 3Å; D490-T492 PolarHBondContact O-OG1 3.15Å; D490-T492 VanDerWaalsContact O-OG1 3.05Å; T492-L494 HydrophobicContact CG2-CD2 4.03Å
493	L	98.3	Very high	94	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	137.1	167.6	-173.1	76.1	0	0	0	109.8	I357 F360 L393 I434 L482 F487 I488 V495	I357-L493 HydrophobicContact CB-CB 4.37Å; I357-L493 HydrophobicContact CD1-CD2 4.41Å; I357-L493 PolarHBondContact N-O 2.94Å; I357-L493 PolarHBondContact O-N 2.98Å; F360-L493 HydrophobicContact CB-CB 4.44Å; F360-L493 HydrophobicContact CD1-CB 4.34Å; F360-L493 HydrophobicContact CD2-CB 3.66Å; F360-L493 HydrophobicContact CD2-CD2 4.14Å; F360-L493 HydrophobicContact CE1-CD2 4.25Å; F360-L493 HydrophobicContact CE2-CB 3.94Å; F360-L493 HydrophobicContact CE2-CD2 3.49Å; F360-L493 VanDerWaalsContact CE2-CD2 3.49Å; F360-L493 HydrophobicContact CE2-CG 4.31Å; F360-L493 HydrophobicContact CG-CB 3.88Å; F360-L493 HydrophobicContact CZ-CB 4.38Å; F360-L493 HydrophobicContact CZ-CD2 3.55Å; F360-L493 HydrophobicContact CZ-CG 4.45Å; L393-L493 HydrophobicContact CD1-CD2 4.09Å; I434-L493 HydrophobicContact CG2-CD1 3.75Å; I434-L493 HydrophobicContact CG2-CG 4.45Å; L482-L493 HydrophobicContact CD2-CD1 3.94Å; F487-L493 HydrophobicContact CB-CD1 4.24Å; I488-L493 HydrophobicContact CG1-CD1 4.23Å; L493-V495 HydrophobicContact CD2-CG2 4.03Å; L493-V495 HydrophobicContact CG-CG2 4.37Å
494	L	98.3	Very high	92.1	Very high	29 Å²	29	62.1 Å²	62.1	15%	0.152	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	120.5	175.2	-61	-175.2	0	0	0	111.4	I354 K356 L435 Q437 T492	I354-L494 HydrophobicContact CG2-CD2 4.39Å; K356-L494 HydrophobicContact CB-CD2 4.06Å; K356-L494 HydrophobicContact CD-CD2 4.45Å; K356-L494 HydrophobicContact CG-CD2 3.62Å; L435-L494 HydrophobicContact CB-CB 4.09Å; L435-L494 HydrophobicContact CD1-CB 4Å; L435-L494 HydrophobicContact CD1-CD1 4.35Å; L435-L494 HydrophobicContact CG-CB 4.34Å; L435-L494 PolarHBondContact N-O 2.81Å; Q437-L494 HydrophobicContact CG-CD1 3.99Å; Q437-L494 HydrophobicContact CG-CG 4.31Å; T492-L494 HydrophobicContact CG2-CD2 4.03Å
495	V	98.5	Very high	90	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	117.8	176.5	-173.1	0	0	0	0	109.4	W355 I357 M391 L393 L409 T433 I434 L493	W355-V495 HydrophobicContact CB-CB 4.42Å; W355-V495 HydrophobicContact CE3-CB 4.3Å; W355-V495 PolarHBondContact N-O 3.02Å; W355-V495 PolarHBondContact O-N 3.3Å; I357-V495 HydrophobicContact CD1-CG2 3.77Å; M391-V495 HydrophobicContact CE-CG1 4.46Å; M391-V495 HydrophobicContact SD-CG1 3.74Å; L393-V495 HydrophobicContact CD1-CG2 4.4Å; L409-V495 HydrophobicContact CD1-CG1 4.01Å; L409-V495 HydrophobicContact CD2-CG1 3.52Å; L409-V495 HydrophobicContact CG-CG1 4.42Å; T433-V495 CarbonylContact O-C 3.34Å; T433-V495 WeakPolarHBondContact O-CA 3.23Å; I434-V495 HydrophobicContact CG1-CG2 4.35Å; L493-V495 HydrophobicContact CD2-CG2 4.03Å; L493-V495 HydrophobicContact CG-CG2 4.37Å
496	R	98	Very high	87.5	Confident	47 Å²	47	59.3 Å²	59.3	18%	0.177	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	131.2	177.5	178.5	179	-178.3	-84.4	-0.3	110.3	I352 Y353 I354 T433 L435 E498	I352-R496 HydrophobicContact CG2-CG 4.43Å; Y353-R496 CarbonylContact O-C 3.57Å; Y353-R496 WeakPolarHBondContact O-CA 3.43Å; I354-R496 HydrophobicContact CG1-CB 4.35Å; I354-R496 HydrophobicContact CG1-CG 4.24Å; T433-R496 PolarHBondContact N-O 2.85Å; T433-R496 PolarHBondContact O-N 2.85Å; L435-R496 HydrophobicContact CD1-CB 4.21Å; L435-R496 HydrophobicContact CD2-CB 4.16Å; L435-R496 HydrophobicContact CG-CB 4.21Å; R496-E498 IonicContact CZ-OE2 3.81Å; R496-E498 IonicContact NH1-OE2 3.55Å; R496-E498 PolarHBondContact NH1-OE2 3.43Å; R496-E498 IonicContact NH2-OE1 3.59Å; R496-E498 IonicContact NH2-OE2 2.78Å; R496-E498 PolarHBondContact NH2-OE2 3.32Å
497	C	98	Very high	85.1	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126	168	-176.2	0	0	0	0	108.9	I352 Y353 F380 M391 R431 L432	I352-C497 WeakPolarHBondContact CA-O 3.48Å; Y353-C497 PolarHBondContact N-O 3.5Å; Y353-C497 PolarHBondContact O-N 2.94Å; F380-C497 HydrophobicContact CE2-CB 4.5Å; F380-C497 HydrophobicContact CZ-CB 3.97Å; M391-C497 HydrophobicContact CE-CB 4Å; M391-C497 HydrophobicContact CG-CB 4.28Å; M391-C497 HydrophobicContact SD-CB 3.58Å; M391-C497 VanDerWaalsContact SD-CB 3.58Å; R431-C497 CarbonylContact O-C 3.37Å; R431-C497 WeakPolarHBondContact O-CA 3.39Å; L432-C497 HydrophobicContact CD2-CB 3.95Å
498	E	97.4	Very high	82.4	Confident	49 Å²	49	66.3 Å²	66.3	23%	0.229	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.1	173.8	169.7	175	-159.2	0	0	109.9	G351 I352 I430 R431 R496	G351-E498 CarbonylContact O-C 3.59Å; G351-E498 VanDerWaalsContact O-CA 3.28Å; G351-E498 WeakPolarHBondContact O-CA 3.23Å; I352-E498 HydrophobicContact CG1-CB 4.29Å; I352-E498 HydrophobicContact CG1-CG 4.03Å; I430-E498 CarbonylContact C-O 3.55Å; I430-E498 WeakPolarHBondContact CA-O 3.14Å; R431-E498 HydrophobicContact CB-CB 4.21Å; R431-E498 WeakPolarHBondContact CD-OE2 3.21Å; R431-E498 PolarHBondContact N-O 3.29Å; R431-E498 IonicContact NE-OE2 2.75Å; R431-E498 PolarHBondContact NE-OE2 3.25Å; R431-E498 PolarHBondContact O-N 3.46Å; R496-E498 IonicContact CZ-OE2 3.81Å; R496-E498 IonicContact NH1-OE2 3.55Å; R496-E498 PolarHBondContact NH1-OE2 3.43Å; R496-E498 IonicContact NH2-OE1 3.59Å; R496-E498 IonicContact NH2-OE2 2.78Å; R496-E498 PolarHBondContact NH2-OE2 3.32Å
499	V	95.7	Very high	79.6	Confident	10 Å²	10	74.6 Å²	74.6	6%	0.061	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	117.6	-174.1	-173.7	0	0	0	0	109.7	G351 T382 L389 F426 T429 I430	G351-V499 PolarHBondContact O-N 3.24Å; T382-V499 HydrophobicContact CG2-CB 3.96Å; T382-V499 HydrophobicContact CG2-CG1 3.73Å; T382-V499 HydrophobicContact CG2-CG2 4.38Å; L389-V499 HydrophobicContact CD1-CG1 4.37Å; L389-V499 HydrophobicContact CD1-CG2 3.79Å; F426-V499 HydrophobicContact CE2-CG1 4.03Å; F426-V499 HydrophobicContact CZ-CG1 3.55Å; T429-V499 WeakPolarHBondContact O-CA 3.31Å; I430-V499 HydrophobicContact CG1-CG1 4.3Å; I430-V499 HydrophobicContact CG1-CG2 4.28Å; I430-V499 HydrophobicContact CG2-CG2 4.43Å
500	S	93.7	Very high	76.9	Confident	67 Å²	67	81.5 Å²	81.5	47%	0.469	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	107.8	171.9	-64.9	0	0	0	0	109.4	G428 T429	G428-S500 CarbonylContact C-O 3.35Å; G428-S500 WeakPolarHBondContact CA-O 3.07Å; T429-S500 PolarHBondContact N-O 2.92Å; T429-S500 PolarHBondContact O-N 2.68Å
501	T	90	Very high	74	Confident	39 Å²	39	83.2 Å²	83.2	24%	0.239	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	134.7	176.4	47.1	0	0	0	0	110.7	Y387 F426 F503	Y387-T501 HydrophobicContact CD2-CG2 3.92Å; Y387-T501 HydrophobicContact CE2-CG2 3.82Å; F426-T501 HydrophobicContact CE2-CG2 3.91Å; T501-F503 PolarHBondContact O-N 2.86Å; T501-F503 WeakPolarHBondContact OG1-CE2 3.49Å
502	R	82.4	Confident	71.1	Confident	144 Å²	144	82.6 Å²	82.6	54%	0.543	42%	0.42	S	S	.	.			trans	-92	90.5	170.8	-67.9	-178.6	-168.8	173.1	8.6	107.9	Q427 T429 D451 D504	Q427-R502 PolarHBondContact O-N 3.16Å; Q427-R502 VanDerWaalsContact O-N 3.08Å; T429-R502 PolarHBondContact OG1-NH2 3.01Å; T429-R502 VanDerWaalsContact OG1-NH2 3.14Å; D451-R502 VanDerWaalsContact CG-NH2 3.28Å; D451-R502 IonicContact OD1-CZ 3.94Å; D451-R502 IonicContact OD1-NH2 2.98Å; D451-R502 PolarHBondContact OD1-NH2 2.91Å; D451-R502 IonicContact OD2-CZ 3.98Å; D451-R502 IonicContact OD2-NH2 3.06Å; D451-R502 PolarHBondContact OD2-NH2 3.22Å; R502-D504 PolarHBondContact O-N 3.31Å
503	F	69.5	Low	68	Low	108 Å²	108	90.7 Å²	90.7	47%	0.474	45%	0.452	S	S	.	.			trans	-77.1	102.3	168	-66.8	-72.4	0	0	0	108.4	T501 M505	T501-F503 PolarHBondContact O-N 2.86Å; T501-F503 WeakPolarHBondContact OG1-CE2 3.49Å; F503-M505 PolarHBondContact O-N 3.07Å
504	D	52.4	Low	64.8	Low	129 Å²	129	99 Å²	99	69%	0.69	49%	0.491	S	S	*	.			trans	-73.3	83.2	168.8	-152.1	-6.4	0	0	0	108.6	R502 G506 S507	R502-D504 PolarHBondContact O-N 3.31Å; D504-G506 PolarHBondContact O-N 3.11Å; D504-S507 PolarHBondContact O-N 3.37Å
505	M	47.2	Very low	61.8	Low	131 Å²	131	103.1 Å²	103.1	65%	0.645	52%	0.52	S	S	*	.	H	α-helix	trans	-59.6	-4.6	176.5	-85.5	-81.7	-84.8	0	0	112.8	F503	F503-M505 PolarHBondContact O-N 3.07Å
506	G	41.2	Very low	58.8	Low	56 Å²	56	114.4 Å²	114.4	58%	0.577	56%	0.562	S	S	*	*	H	α-helix	trans	-69.5	-28.8	171.4	0	0	0	0	0	114.8	D504	D504-G506 PolarHBondContact O-N 3.11Å
507	S	43.4	Very low	55.9	Low	90 Å²	90	117.1 Å²	117.1	63%	0.629	59%	0.588	S	S	*	*	H	α-helix	trans	-93.3	-29.8	-175.3	-168.5	0	0	0	0	114.1	D504 R509 R510	D504-S507 PolarHBondContact O-N 3.37Å; S507-R509 PolarHBondContact O-N 3.13Å; S507-R510 PolarHBondContact O-N 2.94Å; S507-R510 VanDerWaalsContact O-N 3.1Å
508	L	41.8	Very low	53.1	Low	127 Å²	127	123 Å²	123	67%	0.665	62%	0.624	S	S	*	*	H	α-helix	trans	-71.8	-16.9	178.3	-79.7	163.1	0	0	0	113.1	R510	L508-R510 VanDerWaalsContact C-N 3.33Å
509	R	38.1	Very low	50.3	Low	223 Å²	223	128.1 Å²	128.1	84%	0.842	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-3.2	170	-78	-161.4	173.5	-170	0.1	114.4	S507	S507-R509 PolarHBondContact O-N 3.13Å
510	R	38.5	Very low	47.5	Very low	224 Å²	224	132.9 Å²	132.9	85%	0.845	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	-5.4	-177.9	-153	-178.6	-86.9	-169	-3.6	115.1	S507 L508 G512	S507-R510 PolarHBondContact O-N 2.94Å; S507-R510 VanDerWaalsContact O-N 3.1Å; L508-R510 VanDerWaalsContact C-N 3.33Å; R510-G512 PolarHBondContact O-N 3.38Å
511	E	37.1	Very low	45.1	Very low	176 Å²	176	132.6 Å²	132.6	82%	0.822	69%	0.694	S	S	*	*	S	Bend	trans	-76	70.8	148.2	-79.3	-174	168.3	0	0	107.5	F513	E511-F513 PolarHBondContact O-N 3.08Å
512	G	35.9	Very low	42.7	Very low	54 Å²	54	141.3 Å²	141.3	56%	0.557	75%	0.747	S	S	*	*			trans	-54.1	107.4	166.5	0	0	0	0	0	106.5	R510 Q514	R510-G512 PolarHBondContact O-N 3.38Å; G512-Q514 PolarHBondContact O-N 3.24Å
513	F	32.7	Very low	40.7	Very low	201 Å²	201	141.2 Å²	141.2	88%	0.882	76%	0.757	S	S	*	*			trans	-43.1	98.2	149.8	-122.5	-99.8	0	0	0	105.7	E511 P515	E511-F513 PolarHBondContact O-N 3.08Å; F513-P515 WeakPolarHBondContact O-CD 3.49Å; F513-P515 VanDerWaalsContact O-N 3.13Å
514	Q	31.6	Very low	39.2	Very low	174 Å²	174	142.9 Å²	142.9	81%	0.813	77%	0.772	S	S	*	*			trans	-60.7	113.9	159.6	-79.2	-174	-39.7	0	0	103.7	G512 R516	G512-Q514 PolarHBondContact O-N 3.24Å; Q514-R516 PolarHBondContact O-N 2.83Å
515	P	35.6	Very low	38.5	Very low	116 Å²	116	143.7 Å²	143.7	75%	0.753	78%	0.777	S	S	*	*			trans	-61.9	111.6	166.9	-1.6	17	0	0	0	104	F513 S517	F513-P515 WeakPolarHBondContact O-CD 3.49Å; F513-P515 VanDerWaalsContact O-N 3.13Å; P515-S517 VanDerWaalsContact C-N 3.3Å; P515-S517 PolarHBondContact O-N 3.14Å
516	R	35.4	Very low	38	Very low	238 Å²	238	144.4 Å²	144.4	90%	0.898	79%	0.785	S	S	*	*			trans	-57.2	108.8	161.4	-90.3	-175.7	171.4	170.8	-2	105.2	Q514 T518	Q514-R516 PolarHBondContact O-N 2.83Å; R516-T518 PolarHBondContact O-N 2.79Å; R516-T518 VanDerWaalsContact O-N 3.14Å
517	S	36.7	Very low	37.8	Very low	103 Å²	103	149.9 Å²	149.9	72%	0.72	80%	0.798	S	S	*	*			trans	-39.2	116	169	45.4	0	0	0	0	109.4	P515 D519	P515-S517 VanDerWaalsContact C-N 3.3Å; P515-S517 PolarHBondContact O-N 3.14Å; S517-D519 PolarHBondContact O-N 3.06Å
518	T	39.1	Very low	37.4	Very low	124 Å²	124	153.9 Å²	153.9	76%	0.761	81%	0.809	S	S	*	*			trans	-67.4	91.9	156.8	46.8	0	0	0	0	106.2	R516 S520	R516-T518 PolarHBondContact O-N 2.79Å; R516-T518 VanDerWaalsContact O-N 3.14Å; T518-S520 PolarHBondContact O-N 3.11Å; T518-S520 PolarHBondContact O-OG 3.34Å
519	D	39.1	Very low	37.1	Very low	157 Å²	157	155.9 Å²	155.9	84%	0.84	82%	0.819	S	S	*	*			trans	-60.5	105.5	168.4	-143.2	-7.1	0	0	0	106.9	S517	S517-D519 PolarHBondContact O-N 3.06Å
520	S	35.9	Very low	37	Very low	110 Å²	110	150.7 Å²	150.7	77%	0.769	82%	0.817	S	S	*	*			trans	-115.4	84.6	175.2	-43.6	0	0	0	0	104.3	T518	T518-S520 PolarHBondContact O-N 3.11Å; T518-S520 PolarHBondContact O-OG 3.34Å
521	G	42.8	Very low	36.9	Very low	60 Å²	60	144.6 Å²	144.6	62%	0.619	82%	0.815	S	S	*	*			trans	-143.2	90.9	-179.2	0	0	0	0	0	109.7
522	V	41.2	Very low	36.9	Very low	222 Å²	222	141.7 Å²	141.7	100%	1.345	81%	0.814	S	S	*	*			trans	40.1	0	151.4	-169.6	0	0	0	0	118

Retrieved 522 of 522 residues in 114.2 ms (Link to these results)

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