A0A2K5MHI2_CERAT Loading...

E3 ubiquitin-protein ligase TRAF7

AlphaFold DB , UniProt , Accession A0A2K5MHI2, Species CERAT (Cercocebus atys, Sooty mangabey), Gene TRAF7, Length 670 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	33.4	Very low	30.2	Very low	242 Å²	242	160.5 Å²	160.5	100%	1.192	85%	0.846	S	S	*	*				0	160.4	0	-78.7	163.3	147.7	0	0	109.2
2	S	33.9	Very low	29.8	Very low	110 Å²	110	161.8 Å²	161.8	77%	0.769	84%	0.84	S	S	*	*			trans	-33.8	157.7	163.8	43.1	0	0	0	0	115.7
3	S	34.9	Very low	29.6	Very low	123 Å²	123	158.6 Å²	158.6	86%	0.86	84%	0.84	S	S	*	*			cis	-177.1	161.6	-1.7	40.1	0	0	0	0	108
4	G	33	Very low	29.5	Very low	69 Å²	69	152.7 Å²	152.7	71%	0.711	84%	0.836	S	S	*	*			cis	170.9	152	-5.9	0	0	0	0	0	110.8
5	K	34.1	Very low	29.6	Very low	211 Å²	211	147.9 Å²	147.9	92%	0.917	84%	0.836	S	S	*	*			trans	26	135.7	158.4	-64.6	-178.7	-178.4	-179.1	0	119.9
6	S	30.6	Very low	29.8	Very low	121 Å²	121	146.5 Å²	146.5	85%	0.846	83%	0.834	S	S	*	*			cis	-160.7	144.2	7.8	-172.2	0	0	0	0	111.3
7	A	25.3	Very low	29.6	Very low	88 Å²	88	144.2 Å²	144.2	73%	0.727	83%	0.829	S	S	*	*			trans	-160.4	163.5	169.6	0	0	0	0	0	112.2
8	R	28.5	Very low	29.5	Very low	235 Å²	235	145.4 Å²	145.4	89%	0.887	83%	0.833	S	S	*	*			trans	78.9	102.3	169.2	-58.6	-176.1	175.5	-179.2	-1.5	119.1
9	Y	25.2	Very low	29.4	Very low	223 Å²	223	146.1 Å²	146.1	88%	0.875	83%	0.832	S	S	*	*				10	127.4	116.4	-85.6	-92.3	0	0	0	119.3
10	N	27.2	Very low	29.5	Very low	144 Å²	144	144.4 Å²	144.4	77%	0.77	83%	0.827	S	S	*	*			trans	-159.5	131.6	131.2	-97.9	-39.9	0	0	0	107.7
11	R	26.5	Very low	29.3	Very low	199 Å²	199	143.3 Å²	143.3	75%	0.751	82%	0.824	S	S	*	*				49.4	118.4	92.9	-77.5	-176	171.8	-169.6	-1.3	111.9
12	F	25.6	Very low	28.9	Very low	177 Å²	177	137.5 Å²	137.5	78%	0.776	80%	0.804	S	S	*	*			cis	-162.9	172.9	45.5	-112.3	-73.9	0	0	0	113.9
13	S	26.8	Very low	28.4	Very low	120 Å²	120	139.3 Å²	139.3	84%	0.839	81%	0.805	S	S	*	*			trans	75.6	152.9	156.7	76.3	0	0	0	0	119.1
14	G	27.6	Very low	27.8	Very low	76 Å²	76	139.7 Å²	139.7	78%	0.784	80%	0.802	S	S	*	*			trans	105.2	90.5	179.3	0	0	0	0	0	114.1
15	G	31.6	Very low	27.3	Very low	81 Å²	81	142.4 Å²	142.4	84%	0.835	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-89.9	124.1	167.2	0	0	0	0	0	110.5
16	P	31.8	Very low	26.8	Very low	125 Å²	125	138.4 Å²	138.4	81%	0.812	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-86.3	147.3	-175.2	32.8	-34.1	0	0	0	113.3
17	S	27.2	Very low	26.4	Very low	107 Å²	107	136.2 Å²	136.2	75%	0.748	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-75.9	138	170.1	49.9	0	0	0	0	112.3
18	N	27.3	Very low	26.3	Very low	166 Å²	166	137.1 Å²	137.1	89%	0.888	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-82.4	120.8	168.2	-77.2	-24.5	0	0	0	111.2
19	L	28.3	Very low	26.5	Very low	158 Å²	158	131.3 Å²	131.3	83%	0.827	77%	0.769	S	S	*	*			trans	-156.6	157.3	168.5	-103.2	171.1	0	0	0	107.7
20	P	31.3	Very low	26.8	Very low	112 Å²	112	124.5 Å²	124.5	73%	0.727	75%	0.746	S	S	*	*	P	Polyproline II helix		-103.9	163.1	-93.6	36.8	-35.4	0	0	0	114.1
21	T	25.6	Very low	27.1	Very low	123 Å²	123	119.2 Å²	119.2	76%	0.755	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-69.1	144.1	166.3	44.9	0	0	0	0	111.4
22	P	25.5	Very low	27.2	Very low	120 Å²	120	110.6 Å²	110.6	78%	0.779	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-73.7	126.4	173.6	30.2	-33.2	0	0	0	111.1	V24	P22-V24 PolarHBondContact O-N 2.7Å
23	D	22.5	Very low	27.6	Very low	148 Å²	148	102.2 Å²	102.2	79%	0.791	65%	0.65	S	S	*	*			trans	-67.5	115.2	172.9	-85.2	-47.6	0	0	0	111	T25	D23-T25 PolarHBondContact O-N 3.06Å
24	V	23.2	Very low	28.2	Very low	130 Å²	130	96.8 Å²	96.8	79%	0.788	61%	0.611	S	S	*	*			trans	-78.7	88.5	170.1	-179.9	0	0	0	0	108.3	P22 T26	P22-V24 PolarHBondContact O-N 2.7Å; V24-T26 PolarHBondContact O-N 3.28Å
25	T	22.2	Very low	28.2	Very low	127 Å²	127	93.5 Å²	93.5	78%	0.779	58%	0.577	S	S	*	*			trans	-67.6	102.4	177.4	42.5	0	0	0	0	110.9	D23 G27	D23-T25 PolarHBondContact O-N 3.06Å; T25-G27 VanDerWaalsContact C-N 3.32Å; T25-G27 PolarHBondContact O-N 3.39Å
26	T	22.8	Very low	28	Very low	126 Å²	126	90.1 Å²	90.1	77%	0.773	54%	0.541	S	S	*	.			trans	-70.6	86.3	175.1	37.9	0	0	0	0	110.6	V24 T28	V24-T26 PolarHBondContact O-N 3.28Å; T26-T28 PolarHBondContact O-N 3.47Å
27	G	22.3	Very low	27.6	Very low	75 Å²	75	85.1 Å²	85.1	77%	0.773	51%	0.51	S	S	*	.			trans	-53.3	108.2	-178.4	0	0	0	0	0	112.6	T25 R29	T25-G27 VanDerWaalsContact C-N 3.32Å; T25-G27 PolarHBondContact O-N 3.39Å; G27-R29 PolarHBondContact O-N 2.95Å; G27-R29 VanDerWaalsContact O-N 3.16Å
28	T	24	Very low	27.6	Very low	107 Å²	107	89.6 Å²	89.6	66%	0.656	52%	0.516	S	S	*	.			trans	-73	107.7	176.3	-59.2	0	0	0	0	108.9	T26 M30	T26-T28 PolarHBondContact O-N 3.47Å; T28-M30 PolarHBondContact O-N 2.81Å
29	R	32.8	Very low	27.5	Very low	114 Å²	114	86.2 Å²	86.2	43%	0.43	51%	0.506	S	S	.	.			trans	-62.2	118	-178.9	-164.9	179.7	-163.5	102.1	16.1	109.8	G27 V607 S609	G27-R29 PolarHBondContact O-N 2.95Å; G27-R29 VanDerWaalsContact O-N 3.16Å; R29-V607 VanDerWaalsContact CZ-O 3.25Å; R29-V607 PolarHBondContact NE-O 2.79Å; R29-V607 PolarHBondContact NH2-O 3.39Å; R29-S609 PolarHBondContact NH1-O 3.31Å; R29-S609 PolarHBondContact NH2-OG 2.87Å; R29-S609 VanDerWaalsContact NH2-OG 3.12Å
30	M	30.9	Very low	27.2	Very low	79 Å²	79	83 Å²	83	39%	0.389	50%	0.502	S	S	.	.			trans	-76.5	136.2	177.1	-69.1	174.4	176.3	0	0	110.6	T28 S487 A528	T28-M30 PolarHBondContact O-N 2.81Å; M30-S487 WeakPolarHBondContact CE-O 3.41Å; M30-A528 HydrophobicContact SD-CB 3.91Å
31	E	32.6	Very low	26.8	Very low	33 Å²	33	84 Å²	84	15%	0.154	51%	0.506	C	S	.	.			trans	-106	146.8	-176.3	-66.5	-179.1	-165.5	0	0	111.9	V404	E31-V404 WeakPolarHBondContact OE1-CB 3.45Å; E31-V404 WeakPolarHBondContact OE2-CB 3.43Å; E31-V404 WeakPolarHBondContact OE2-CG2 3.46Å; E31-V404 PolarHBondContact OE2-N 3.46Å
32	T	30.1	Very low	26.8	Very low	18 Å²	18	83.8 Å²	83.8	11%	0.11	51%	0.505	C	S	.	.			trans	-103.1	86.3	-164.4	32.6	0	0	0	0	112.8	F34 V527 L605	T32-F34 VanDerWaalsContact C-CD2 3.49Å; T32-F34 HydrophobicContact CG2-CE2 4.17Å; T32-F34 WeakPolarHBondContact O-CD2 3.5Å; T32-F34 PolarHBondContact O-N 3.43Å; T32-V527 HydrophobicContact CG2-CG2 3.8Å; T32-L605 VanDerWaalsContact CB-O 3.31Å; T32-L605 WeakPolarHBondContact CB-O 2.84Å; T32-L605 PolarHBondContact OG1-O 3.11Å
33	T	32.9	Very low	26.7	Very low	2 Å²	2	84.7 Å²	84.7	1%	0.012	51%	0.508	C	S	.	.			trans	-90.2	102.3	-169.8	-38.3	0	0	0	0	113.8	C401 L402 C403 L445	T33-C401 HydrophobicContact CG2-CB 3.48Å; T33-C401 VanDerWaalsContact CG2-CB 3.48Å; T33-L402 VanDerWaalsContact CG2-N 3.27Å; T33-L402 WeakPolarHBondContact CG2-O 3.22Å; T33-L402 PolarHBondContact OG1-O 2.83Å; T33-C403 HydrophobicContact CG2-CB 4.34Å; T33-L445 WeakPolarHBondContact CB-O 3.31Å; T33-L445 HydrophobicContact CG2-CB 3.68Å; T33-L445 HydrophobicContact CG2-CG 4.39Å; T33-L445 WeakPolarHBondContact CG2-O 3.26Å; T33-L445 PolarHBondContact OG1-O 3.29Å
34	F	39.1	Very low	26.9	Very low	5 Å²	5	85 Å²	85	2%	0.022	51%	0.508	C	S	.	.			trans	-139.5	140.3	-171.2	-70	-76.4	0	0	0	115.9	T32 W400 T484 R524 L526 T647 A648	T32-F34 VanDerWaalsContact C-CD2 3.49Å; T32-F34 HydrophobicContact CG2-CE2 4.17Å; T32-F34 WeakPolarHBondContact O-CD2 3.5Å; T32-F34 PolarHBondContact O-N 3.43Å; F34-W400 CarbonylContact C-O 3.54Å; F34-T484 VanDerWaalsContact CE1-CB 3.48Å; F34-T484 HydrophobicContact CE1-CG2 4.44Å; F34-T484 WeakPolarHBondContact CE1-OG1 3.45Å; F34-T484 WeakPolarHBondContact CZ-OG1 3.4Å; F34-R524 WeakPolarHBondContact CD1-O 3.47Å; F34-R524 WeakPolarHBondContact CE1-O 3.44Å; F34-L526 VanDerWaalsContact CZ-N 3.33Å; F34-L526 WeakPolarHBondContact CZ-O 3.19Å; F34-T647 CarbonylContact O-C 3.57Å; F34-A648 WeakPolarHBondContact O-CA 3.44Å; F34-A648 WeakPolarHBondContact O-CB 3.37Å
35	G	28.3	Very low	27.1	Very low	7 Å²	7	85.4 Å²	85.4	7%	0.072	51%	0.511	C	S	.	.			trans	-154.5	143	169.1	0	0	0	0	0	114.2	W400	G35-W400 WeakPolarHBondContact CA-O 3.45Å; G35-W400 PolarHBondContact N-O 2.95Å; G35-W400 VanDerWaalsContact N-O 3.09Å
36	P	27	Very low	27.4	Very low	10 Å²	10	89 Å²	89	7%	0.065	52%	0.516	C	S	.	.			trans	-56	154	174	-30.7	32.1	0	0	0	117.5	W400 L443 Y563 Y603	P36-W400 HydrophobicContact CB-CE3 4.22Å; P36-W400 HydrophobicContact CB-CH2 4.17Å; P36-W400 HydrophobicContact CB-CZ3 3.61Å; P36-W400 VanDerWaalsContact CD-CZ3 3.46Å; P36-W400 HydrophobicContact CG-CE3 4.29Å; P36-W400 HydrophobicContact CG-CZ3 3.72Å; P36-L443 VanDerWaalsContact O-CD2 3.25Å; P36-L443 WeakPolarHBondContact O-CD2 3.23Å; P36-Y563 HydrophobicContact CB-CE1 4.31Å; P36-Y563 HydrophobicContact CG-CD1 4.38Å; P36-Y563 HydrophobicContact CG-CE1 4.06Å; P36-Y603 HydrophobicContact CB-CE1 4.33Å; P36-Y603 HydrophobicContact CG-CD1 3.24Å; P36-Y603 HydrophobicContact CG-CD2 4.19Å; P36-Y603 HydrophobicContact CG-CE1 3.22Å; P36-Y603 HydrophobicContact CG-CE2 4.14Å; P36-Y603 HydrophobicContact CG-CG 3.77Å
37	A	24.7	Very low	27.5	Very low	21 Å²	21	87.6 Å²	87.6	17%	0.174	52%	0.517	C	S	.	.			trans	-119.1	139.3	161	0	0	0	0	0	109	L443	A37-L443 HydrophobicContact CB-CD1 4.03Å; A37-L443 HydrophobicContact CB-CD2 4.2Å
38	F	26.1	Very low	27.7	Very low	200 Å²	200	92.1 Å²	92.1	88%	0.877	52%	0.523	S	S	*	.			trans	-101.7	156.6	-172.2	-151.5	-94.5	0	0	0	112.5
39	S	24.9	Very low	27.9	Very low	95 Å²	95	90.3 Å²	90.3	66%	0.664	53%	0.526	S	S	*	.			trans	-110.8	134.6	173.8	-175.8	0	0	0	0	110.1
40	A	23.1	Very low	27.6	Very low	91 Å²	91	91.7 Å²	91.7	75%	0.752	55%	0.547	S	S	*	.			trans	-65.7	148.8	173.1	0	0	0	0	0	111.2
41	V	22.7	Very low	27.3	Very low	134 Å²	134	92.7 Å²	92.7	81%	0.812	56%	0.562	S	S	*	*			trans	-116.1	119.8	171.8	175.8	0	0	0	0	107.7
42	T	24.8	Very low	27.1	Very low	118 Å²	118	96.5 Å²	96.5	72%	0.724	59%	0.588	S	S	*	*			trans	-96.7	130.2	175.7	-53.8	0	0	0	0	109.7
43	T	24.3	Very low	26.9	Very low	138 Å²	138	105 Å²	105	85%	0.847	62%	0.619	S	S	*	*			trans	-74.5	129.3	172	34.1	0	0	0	0	111.1
44	I	26.5	Very low	26.7	Very low	155 Å²	155	112.5 Å²	112.5	80%	0.795	65%	0.652	S	S	*	*			trans	-131.8	131.2	166.8	-63.4	-178.1	0	0	0	108.1
45	T	27.9	Very low	26.2	Very low	138 Å²	138	118.7 Å²	118.7	85%	0.847	68%	0.681	S	S	*	*			trans	-87.5	160.5	177.2	39	0	0	0	0	112.1
46	K	26.9	Very low	26.2	Very low	204 Å²	204	125.4 Å²	125.4	89%	0.887	71%	0.71	S	S	*	*			trans	-68.5	149	-172	-54.9	174.5	178.9	-179.6	0	114
47	A	26	Very low	26.1	Very low	96 Å²	96	130 Å²	130	79%	0.793	74%	0.741	S	S	*	*				-160.2	152.4	129.5	0	0	0	0	0	110.7
48	D	26.2	Very low	26.1	Very low	169 Å²	169	140.7 Å²	140.7	90%	0.904	78%	0.777	S	S	*	*			trans	-86.6	172.6	-171.9	-48.5	-82.9	0	0	0	114
49	G	27.7	Very low	26.1	Very low	69 Å²	69	137.5 Å²	137.5	71%	0.711	77%	0.774	S	S	*	*			trans	148	82.5	158.8	0	0	0	0	0	119.2
50	T	27.8	Very low	26.8	Very low	144 Å²	144	138.5 Å²	138.5	88%	0.883	78%	0.778	S	S	*	*			trans	24.2	129.1	146.1	53.8	0	0	0	0	122.2
51	S	24.6	Very low	26.9	Very low	100 Å²	100	139 Å²	139	70%	0.699	78%	0.776	S	S	*	*			trans	-88.8	167.8	145.4	79.5	0	0	0	0	109.7
52	T	27.9	Very low	27.1	Very low	113 Å²	113	137.9 Å²	137.9	69%	0.693	78%	0.775	S	S	*	*			cis	-156.2	-174.1	21.1	7.4	0	0	0	0	110.6
53	Y	26.1	Very low	27.1	Very low	195 Å²	195	137 Å²	137	77%	0.765	77%	0.773	S	S	*	*			trans	108.3	105.5	148	-90.2	-84.3	0	0	0	122.3
54	K	28.6	Very low	27.2	Very low	161 Å²	161	134.9 Å²	134.9	70%	0.7	76%	0.764	S	S	*	*			trans	71.3	116.7	135.3	-90	-176.7	175.1	-178.8	0	124.7
55	Q	27.7	Very low	27.3	Very low	135 Å²	135	132.8 Å²	132.8	63%	0.631	76%	0.759	S	S	*	*				86.1	136.1	123.4	-88.7	175.9	-82.9	0	0	123.8
56	H	27.9	Very low	27.2	Very low	148 Å²	148	134 Å²	134	69%	0.685	76%	0.759	S	S	*	*			trans	75.5	104.6	149.1	-74.1	-57.6	0	0	0	123.4
57	C	24.8	Very low	27.1	Very low	107 Å²	107	127.9 Å²	127.9	72%	0.723	75%	0.747	S	S	*	*				84	138.9	121.1	-71.7	0	0	0	0	122.5
58	R	25.9	Very low	27	Very low	244 Å²	244	133.8 Å²	133.8	92%	0.921	75%	0.75	S	S	*	*			trans	81	117.2	159.7	-68.1	177.7	-179.2	-178.4	0.3	119.2
59	T	26.6	Very low	27.1	Very low	133 Å²	133	130.8 Å²	130.8	82%	0.816	74%	0.742	S	S	*	*			trans	-69.1	174.1	147.8	46.5	0	0	0	0	110.6
60	P	38.3	Very low	28.3	Very low	117 Å²	117	132.8 Å²	132.8	76%	0.76	74%	0.743	S	S	*	*			cis	-117.4	-163.5	8.1	29	-4	0	0	0	111.3
61	S	25.2	Very low	28.3	Very low	101 Å²	101	136.3 Å²	136.3	71%	0.706	74%	0.74	S	S	*	*			cis	-159.2	178.1	25.1	-41	0	0	0	0	114.2
62	S	27.3	Very low	28.6	Very low	111 Å²	111	137.4 Å²	137.4	78%	0.776	74%	0.738	S	S	*	*			trans	-37.2	161.4	155.8	54.7	0	0	0	0	115.4
63	S	25.3	Very low	28.7	Very low	100 Å²	100	140.6 Å²	140.6	70%	0.699	75%	0.745	S	S	*	*			cis	-160.4	170.3	27.4	-155.5	0	0	0	0	114.7
64	S	27	Very low	28.9	Very low	92 Å²	92	139.3 Å²	139.3	64%	0.643	75%	0.746	S	S	*	*			trans	9.7	154.5	144.7	65.4	0	0	0	0	121
65	T	26.6	Very low	28.9	Very low	112 Å²	112	139.4 Å²	139.4	69%	0.687	75%	0.754	S	S	*	*			cis	-169.2	153.6	44.5	-28	0	0	0	0	112.8
66	L	26.7	Very low	28.9	Very low	162 Å²	162	138 Å²	138	85%	0.848	76%	0.759	S	S	*	*			trans	16.2	151.8	143.8	-67.4	169.5	0	0	0	121.5
67	A	25.6	Very low	29.1	Very low	77 Å²	77	139.1 Å²	139.1	64%	0.636	77%	0.767	S	S	*	*			cis	-158.9	163.4	0.9	0	0	0	0	0	109.9
68	Y	22.9	Very low	29.8	Very low	220 Å²	220	140 Å²	140	86%	0.863	77%	0.771	S	S	*	*				23.1	136.4	95.2	-82.5	-105.8	0	0	0	115.7
69	S	28.9	Very low	31.3	Very low	105 Å²	105	133.4 Å²	133.4	73%	0.734	76%	0.76	S	S	*	*			cis	-153.4	177.1	32	-116.5	0	0	0	0	113.5
70	P	52.8	Low	31.3	Very low	112 Å²	112	135.3 Å²	135.3	73%	0.727	76%	0.763	S	S	*	*			trans	-102.1	-168.7	-169	42.3	-38.1	0	0	0	115
71	R	28.6	Very low	30.6	Very low	218 Å²	218	134.5 Å²	134.5	82%	0.823	76%	0.761	S	S	*	*			trans	144.9	152.9	155.9	-81.6	-169.4	137.5	160.2	1.9	110.9
72	D	29.4	Very low	31	Very low	122 Å²	122	135.7 Å²	135.7	65%	0.652	76%	0.764	S	S	*	*			cis	-156.2	-173.5	-13.9	-101	-14.1	0	0	0	109.1
73	E	30.2	Very low	31.3	Very low	181 Å²	181	136.5 Å²	136.5	85%	0.846	77%	0.767	S	S	*	*			trans	-72.9	-177.2	179.5	-56.7	162.8	138.3	0	0	112.1
74	E	29.8	Very low	31.3	Very low	167 Å²	167	143.1 Å²	143.1	78%	0.78	78%	0.776	S	S	*	*			cis	-165.1	158.2	15.6	-165.6	178.8	-152.3	0	0	108.7
75	D	28.8	Very low	31.3	Very low	163 Å²	163	149.8 Å²	149.8	87%	0.872	79%	0.787	S	S	*	*			trans	-174.8	168.6	137.8	-131.9	-38.9	0	0	0	114.8
76	S	27.7	Very low	31.3	Very low	107 Å²	107	148.3 Å²	148.3	75%	0.748	78%	0.781	S	S	*	*			trans	-120.8	167.4	-158.6	-77.2	0	0	0	0	119.5
77	M	32.6	Very low	31.2	Very low	170 Å²	170	147.3 Å²	147.3	84%	0.837	78%	0.777	S	S	*	*			trans	-79.7	163.5	179.6	-128	-172.2	-155.8	0	0	113.7
78	P	40.5	Very low	31.3	Very low	125 Å²	125	148.8 Å²	148.8	81%	0.812	78%	0.783	S	S	*	*				-157.9	-180	81.1	40.9	-19.6	0	0	0	118.2
79	P	55.7	Low	31.4	Very low	107 Å²	107	142.4 Å²	142.4	70%	0.695	78%	0.775	S	S	*	*			trans	-120.5	169.8	-178	42.5	-32.4	0	0	0	116.8
80	I	27.8	Very low	31.2	Very low	172 Å²	172	145.2 Å²	145.2	88%	0.882	78%	0.78	S	S	*	*			trans	-173.8	152.1	167.2	-110.1	158.2	0	0	0	108.9
81	S	24.3	Very low	29.9	Very low	101 Å²	101	145.3 Å²	145.3	71%	0.706	78%	0.784	S	S	*	*			cis	-159.1	-157.9	-13.4	66.1	0	0	0	0	110.5
82	T	33.4	Very low	29.8	Very low	125 Å²	125	141.3 Å²	141.3	77%	0.767	78%	0.783	S	S	*	*			trans	-134.1	177.4	166.8	59.7	0	0	0	0	111.5
83	P	32.9	Very low	29.6	Very low	129 Å²	129	146.1 Å²	146.1	84%	0.838	79%	0.792	S	S	*	*				-146.1	176	114.7	38.5	-23.3	0	0	0	116.5
84	R	25.6	Very low	29.4	Very low	239 Å²	239	142.4 Å²	142.4	90%	0.902	79%	0.786	S	S	*	*			trans	-125.1	152.4	176.4	-72.9	176.3	165.2	-168.9	-2.7	111.9
85	R	26.7	Very low	29.2	Very low	231 Å²	231	142 Å²	142	87%	0.872	79%	0.788	S	S	*	*				167.9	132.6	123.8	-91.9	178	-171.3	-141.5	2.1	109.4
86	S	27.2	Very low	29.1	Very low	81 Å²	81	142.8 Å²	142.8	57%	0.566	79%	0.786	S	S	*	*				73.3	140.8	70.8	105.1	0	0	0	0	111.6
87	D	24.7	Very low	29.1	Very low	142 Å²	142	143 Å²	143	76%	0.759	79%	0.788	S	S	*	*			cis	-151.3	165.3	8.4	-87.1	-55.9	0	0	0	108.4
88	S	27.4	Very low	28.7	Very low	108 Å²	108	143.3 Å²	143.3	76%	0.755	79%	0.787	S	S	*	*			cis	-173.3	-168.3	-13.5	64	0	0	0	0	106.2
89	A	23.6	Very low	28.2	Very low	85 Å²	85	143.3 Å²	143.3	70%	0.702	79%	0.79	S	S	*	*			cis	-167	152.6	-10.3	0	0	0	0	0	108.1
90	I	24.8	Very low	26.8	Very low	165 Å²	165	143.3 Å²	143.3	85%	0.846	79%	0.793	S	S	*	*			trans	-169.7	153.8	153.8	-101.8	156	0	0	0	109.2
91	S	26.4	Very low	26.7	Very low	114 Å²	114	143.7 Å²	143.7	80%	0.797	79%	0.793	S	S	*	*			trans	-49.5	134.8	-171.5	-168.9	0	0	0	0	116.8
92	V	26	Very low	26.7	Very low	133 Å²	133	144.1 Å²	144.1	81%	0.806	80%	0.796	S	S	*	*			trans	-137.1	136.1	171.1	-179.3	0	0	0	0	110.1
93	R	26.2	Very low	26.3	Very low	224 Å²	224	145.6 Å²	145.6	85%	0.845	80%	0.798	S	S	*	*			trans	-80.4	144.5	174	-70.6	174.4	171.4	155.7	-4.6	110.6	L95	R93-L95 PolarHBondContact O-N 2.79Å
94	S	24.8	Very low	25.8	Very low	103 Å²	103	149.4 Å²	149.4	72%	0.72	80%	0.796	S	S	*	*			trans	-63.6	123.4	176.1	-170.7	0	0	0	0	111.4
95	L	27	Very low	25.7	Very low	157 Å²	157	143 Å²	143	82%	0.822	79%	0.787	S	S	*	*			trans	-134	95.2	173.2	-83.6	169.6	0	0	0	108.1	R93 S97	R93-L95 PolarHBondContact O-N 2.79Å; L95-S97 PolarHBondContact O-N 2.89Å
96	H	26.7	Very low	25.6	Very low	180 Å²	180	137 Å²	137	83%	0.833	78%	0.777	S	S	*	*			trans	-83.3	90.7	165.9	-80	-77.8	0	0	0	109.1	E98	H96-E98 PolarHBondContact O-N 3.32Å
97	S	26.6	Very low	25.4	Very low	111 Å²	111	141.2 Å²	141.2	78%	0.776	79%	0.785	S	S	*	*			trans	-88.6	93.4	171.6	58.3	0	0	0	0	110.2	L95	L95-S97 PolarHBondContact O-N 2.89Å
98	E	25.1	Very low	25.6	Very low	178 Å²	178	139.9 Å²	139.9	83%	0.832	79%	0.787	S	S	*	*			trans	-74.2	151.1	167.1	-69.6	-159.2	142.8	0	0	111.5	H96 S100	H96-E98 PolarHBondContact O-N 3.32Å; E98-S100 PolarHBondContact O-N 3.01Å
99	S	29	Very low	25.3	Very low	124 Å²	124	140.8 Å²	140.8	87%	0.867	78%	0.783	S	S	*	*			trans	-76.4	89.4	-161.5	54.5	0	0	0	0	113.6
100	S	26.3	Very low	25.3	Very low	107 Å²	107	141.8 Å²	141.8	75%	0.748	78%	0.782	S	S	*	*			trans	-109.9	85.2	159.1	48.9	0	0	0	0	109.7	E98 S102	E98-S100 PolarHBondContact O-N 3.01Å; S100-S102 PolarHBondContact O-N 3.36Å
101	M	25.4	Very low	25.6	Very low	181 Å²	181	143 Å²	143	89%	0.892	78%	0.784	S	S	*	*			trans	-70	79.3	176.3	-92	-91.6	156.5	0	0	110.6	L103	M101-L103 VanDerWaalsContact C-N 3.33Å; M101-L103 PolarHBondContact O-N 2.93Å
102	S	24.7	Very low	25.6	Very low	109 Å²	109	145.5 Å²	145.5	76%	0.762	78%	0.784	S	S	*	*			trans	-68.5	89.1	171.1	-174.9	0	0	0	0	109.9	S100 R104	S100-S102 PolarHBondContact O-N 3.36Å; S102-R104 VanDerWaalsContact C-N 3.31Å; S102-R104 PolarHBondContact O-N 2.72Å
103	L	25.1	Very low	26	Very low	157 Å²	157	145.9 Å²	145.9	82%	0.822	78%	0.776	S	S	*	*			trans	-68.3	93.8	164.7	-75.2	177.4	0	0	0	108.8	M101 S105	M101-L103 VanDerWaalsContact C-N 3.33Å; M101-L103 PolarHBondContact O-N 2.93Å; L103-S105 PolarHBondContact O-N 2.94Å
104	R	23.3	Very low	26.6	Very low	208 Å²	208	142.1 Å²	142.1	79%	0.785	77%	0.768	S	S	*	*			trans	-54.1	106	155.1	-87.5	-176.4	170.7	179.1	-2.2	108.4	S102 T106	S102-R104 VanDerWaalsContact C-N 3.31Å; S102-R104 PolarHBondContact O-N 2.72Å; R104-T106 HydrophobicContact CB-CG2 4.26Å; R104-T106 PolarHBondContact O-N 2.94Å
105	S	22.8	Very low	27.7	Very low	104 Å²	104	145.7 Å²	145.7	73%	0.727	77%	0.774	S	S	*	*			trans	-72.8	80	152.7	-171.1	0	0	0	0	108.1	L103 F107	L103-S105 PolarHBondContact O-N 2.94Å; S105-F107 PolarHBondContact O-N 3.15Å; S105-F107 VanDerWaalsContact O-N 3.07Å
106	T	24.5	Very low	29.2	Very low	106 Å²	106	141.2 Å²	141.2	65%	0.65	75%	0.754	S	S	*	*			trans	-79.1	63	159.6	44.3	0	0	0	0	109.1	R104	R104-T106 HydrophobicContact CB-CG2 4.26Å; R104-T106 PolarHBondContact O-N 2.94Å
107	F	22.6	Very low	31	Very low	169 Å²	169	138.4 Å²	138.4	74%	0.741	74%	0.741	S	S	*	*			trans	-88.1	91.2	148.8	-100.4	-84.9	0	0	0	107.8	S105 L109	S105-F107 PolarHBondContact O-N 3.15Å; S105-F107 VanDerWaalsContact O-N 3.07Å; F107-L109 PolarHBondContact O-N 2.81Å
108	S	28.4	Very low	33.2	Very low	115 Å²	115	134.1 Å²	134.1	80%	0.804	71%	0.711	S	S	*	*			trans	-64.8	81.8	150.8	-60.5	0	0	0	0	107.3
109	L	21.5	Very low	35.8	Very low	127 Å²	127	128.5 Å²	128.5	67%	0.665	69%	0.686	S	S	*	*			trans	-55.1	147	151.5	-66.5	175.7	0	0	0	107.1	F107	F107-L109 PolarHBondContact O-N 2.81Å
110	P	24	Very low	38.5	Very low	106 Å²	106	123.8 Å²	123.8	69%	0.688	65%	0.652	S	S	*	*			trans	-51.4	158.7	164.4	-22.8	34	0	0	0	110.2	E112	P110-E112 PolarHBondContact O-N 3.29Å
111	E	32.3	Very low	41.3	Very low	190 Å²	190	121 Å²	121	89%	0.888	63%	0.627	S	S	*	*			trans	-62.9	93.3	154.6	-69.1	-177.6	129.3	0	0	106.6	E113	E111-E113 PolarHBondContact O-N 3.01Å
112	E	26.4	Very low	44.1	Very low	167 Å²	167	114.4 Å²	114.4	78%	0.78	60%	0.601	S	S	*	*			trans	-56.7	110.7	155.6	-72	-171.5	163.6	0	0	105.2	P110 E114	P110-E112 PolarHBondContact O-N 3.29Å; E112-E114 PolarHBondContact O-N 3.21Å
113	E	33.9	Very low	46.8	Very low	140 Å²	140	116.7 Å²	116.7	65%	0.654	60%	0.6	S	S	*	*			trans	-57	102.6	172.4	-68	-179.8	118.8	0	0	106.7	E111 E115 K199	E111-E113 PolarHBondContact O-N 3.01Å; E113-E115 PolarHBondContact O-N 2.77Å; E113-K199 IonicContact OE1-NZ 3.63Å; E113-K199 PolarHBondContact OE1-NZ 2.9Å; E113-K199 IonicContact OE2-NZ 3.63Å; E113-K199 PolarHBondContact OE2-NZ 2.85Å
114	E	38.7	Very low	49.3	Very low	145 Å²	145	118.3 Å²	118.3	68%	0.678	60%	0.603	S	S	*	*			trans	-49.6	103.7	173.5	-70.9	-175.3	103.6	0	0	106.8	E112 P116 R153	E112-E114 PolarHBondContact O-N 3.21Å; E114-P116 WeakPolarHBondContact O-CA 3.42Å; E114-P116 WeakPolarHBondContact O-CD 3.44Å; E114-R153 IonicContact OE2-CZ 3.1Å; E114-R153 IonicContact OE2-NH1 3.35Å; E114-R153 PolarHBondContact OE2-NH1 2.93Å; E114-R153 IonicContact OE2-NH2 2.9Å; E114-R153 PolarHBondContact OE2-NH2 2.82Å
115	E	48.1	Very low	52	Low	179 Å²	179	109.6 Å²	109.6	84%	0.836	57%	0.573	S	S	*	*			trans	-53.7	114.4	-174.6	-84	-158.8	149.4	0	0	107.4	E113 E117	E113-E115 PolarHBondContact O-N 2.77Å; E115-E117 PolarHBondContact O-N 3.08Å
116	P	57.6	Low	54.7	Low	62 Å²	62	107.9 Å²	107.9	40%	0.403	56%	0.561	S	S	.	*			trans	-65.4	112.2	-156.4	18.5	-30.5	0	0	0	109.4	E114 P201 F203	E114-P116 WeakPolarHBondContact O-CA 3.42Å; E114-P116 WeakPolarHBondContact O-CD 3.44Å; P116-P201 HydrophobicContact CG-CG 3.7Å; P116-F203 WeakPolarHBondContact O-CE2 3.21Å; P116-F203 VanDerWaalsContact O-CZ 3.24Å; P116-F203 WeakPolarHBondContact O-CZ 3.01Å
117	E	65.2	Low	57.3	Low	122 Å²	122	108.2 Å²	108.2	57%	0.57	56%	0.563	S	S	*	*			trans	-53.4	135.3	-170.9	-66	-168	149.4	0	0	111.2	E115 L119 R219	E115-E117 PolarHBondContact O-N 3.08Å; E117-L119 PolarHBondContact O-N 3.29Å; E117-R219 IonicContact OE2-CZ 2.72Å; E117-R219 IonicContact OE2-NH1 2.87Å; E117-R219 PolarHBondContact OE2-NH1 2.89Å
118	P	72.6	Confident	60	Low	20 Å²	20	109 Å²	109	13%	0.13	57%	0.566	C	S	.	*			trans	-58.7	115.8	174.1	23.8	-33.6	0	0	0	109.6	R189 C192 F203 R219	P118-R189 HydrophobicContact CG-CB 3.68Å; P118-C192 HydrophobicContact CB-CB 3.75Å; P118-C192 HydrophobicContact CG-CB 4.47Å; P118-F203 HydrophobicContact CB-CB 4.27Å; P118-F203 HydrophobicContact CB-CD1 3.67Å; P118-F203 HydrophobicContact CB-CD2 4.24Å; P118-F203 HydrophobicContact CB-CE1 3.97Å; P118-F203 HydrophobicContact CB-CE2 4.49Å; P118-F203 HydrophobicContact CB-CG 3.8Å; P118-F203 HydrophobicContact CB-CZ 4.36Å; P118-R219 PolarHBondContact O-NH2 2.85Å
119	L	80.3	Confident	62.6	Low	60 Å²	60	104.3 Å²	104.3	31%	0.314	53%	0.532	S	S	.	.			trans	-128.4	77.7	179.6	-173.3	68.9	0	0	0	108.8	E117 F121 I186 L216	E117-L119 PolarHBondContact O-N 3.29Å; L119-F121 HydrophobicContact CD1-CZ 4.36Å; L119-F121 HydrophobicContact CD2-CE2 3.91Å; L119-F121 HydrophobicContact CD2-CZ 3.95Å; L119-F121 HydrophobicContact CG-CE2 3.89Å; L119-F121 HydrophobicContact CG-CZ 4.07Å; L119-I186 HydrophobicContact CD1-CD1 4.4Å; L119-I186 HydrophobicContact CD1-CG2 3.9Å; L119-L216 HydrophobicContact CD1-CD1 3.98Å
120	V	84.4	Confident	65.7	Low	26 Å²	26	99.3 Å²	99.3	16%	0.158	51%	0.507	C	S	.	.			trans	-97.6	111.9	176.8	-173.4	0	0	0	0	107.7	I186 H187 C192 F203 V205	V120-I186 CarbonylContact O-C 3.48Å; V120-I186 VanDerWaalsContact O-CA 3.3Å; V120-I186 WeakPolarHBondContact O-CA 3.48Å; V120-H187 HydrophobicContact CB-CB 4.48Å; V120-H187 PolarHBondContact O-N 2.66Å; V120-C192 HydrophobicContact CG2-CB 4.44Å; V120-F203 HydrophobicContact CG2-CB 3.66Å; V120-F203 WeakPolarHBondContact CG2-O 3.3Å; V120-V205 HydrophobicContact CG1-CG2 4.23Å
121	F	85.6	Confident	68.6	Low	48 Å²	48	94.3 Å²	94.3	21%	0.211	48%	0.475	C	S	.	.	B	Isolated β-bridge	trans	-75.5	142	175	-66.8	-87.1	0	0	0	110.7	L119 E123 P125 V137 L184 I186	L119-F121 HydrophobicContact CD1-CZ 4.36Å; L119-F121 HydrophobicContact CD2-CE2 3.91Å; L119-F121 HydrophobicContact CD2-CZ 3.95Å; L119-F121 HydrophobicContact CG-CE2 3.89Å; L119-F121 HydrophobicContact CG-CZ 4.07Å; F121-E123 WeakPolarHBondContact CB-O 3.46Å; F121-P125 HydrophobicContact CD2-CG 4.23Å; F121-P125 HydrophobicContact CE2-CG 4.33Å; F121-P125 HydrophobicContact CG-CG 4.32Å; F121-V137 HydrophobicContact CE2-CG2 4.14Å; F121-V137 HydrophobicContact CZ-CB 4.29Å; F121-V137 HydrophobicContact CZ-CG1 4.45Å; F121-V137 HydrophobicContact CZ-CG2 3.87Å; F121-L184 HydrophobicContact CD1-CB 4.25Å; F121-L184 HydrophobicContact CD1-CD1 4.49Å; F121-L184 HydrophobicContact CE1-CB 4.08Å; F121-L184 HydrophobicContact CE1-CD1 3.85Å; F121-I186 HydrophobicContact CD1-CG2 3.57Å; F121-I186 HydrophobicContact CE1-CG2 3.8Å; F121-I186 HydrophobicContact CG-CG2 4.16Å
122	A	83.9	Confident	71.1	Confident	42 Å²	42	91.3 Å²	91.3	35%	0.347	46%	0.461	S	S	.	.	S	Bend	trans	-76.3	-30.4	176.5	0	0	0	0	0	112.2	F185 T213	A122-F185 HydrophobicContact CB-CB 4.01Å; A122-F185 PolarHBondContact N-O 3.06Å; A122-T213 HydrophobicContact CB-CG2 3.64Å
123	E	81.5	Confident	73.9	Confident	158 Å²	158	85.9 Å²	85.9	74%	0.738	44%	0.437	S	S	*	.	S	Bend	trans	-130	146.4	172.6	-65.2	-175	172.5	0	0	109.2	F121 P125	F121-E123 WeakPolarHBondContact CB-O 3.46Å; E123-P125 WeakPolarHBondContact O-CD 3.43Å
124	Q	78	Confident	76.3	Confident	190 Å²	190	81.6 Å²	81.6	89%	0.888	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-69.4	121.2	-176	-167.4	174.1	15.9	0	0	110.9
125	P	79.8	Confident	78.5	Confident	26 Å²	26	80.1 Å²	80.1	17%	0.169	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-67.1	143.6	-174.3	26.2	-34.5	0	0	0	112	F121 E123 V127 V137 L184	F121-P125 HydrophobicContact CD2-CG 4.23Å; F121-P125 HydrophobicContact CE2-CG 4.33Å; F121-P125 HydrophobicContact CG-CG 4.32Å; E123-P125 WeakPolarHBondContact O-CD 3.43Å; P125-V127 PolarHBondContact O-N 3.35Å; P125-V137 HydrophobicContact CB-CG2 3.79Å; P125-V137 HydrophobicContact CG-CG2 3.46Å; P125-V137 VanDerWaalsContact CG-CG2 3.46Å; P125-L184 HydrophobicContact CB-CD1 4.02Å; P125-L184 HydrophobicContact CB-CD2 4.33Å
126	S	79.3	Confident	80.3	Confident	67 Å²	67	74.7 Å²	74.7	47%	0.469	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-60	136	179.9	-172.4	0	0	0	0	111.7	K128 L129	S126-K128 PolarHBondContact O-N 3.39Å; S126-L129 PolarHBondContact O-N 2.97Å
127	V	79.4	Confident	81.7	Confident	114 Å²	114	72.7 Å²	72.7	69%	0.691	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-55.7	-18.8	176.2	-65.9	0	0	0	0	114.2	P125 L129 C130	P125-V127 PolarHBondContact O-N 3.35Å; V127-L129 VanDerWaalsContact C-N 3.28Å; V127-L129 PolarHBondContact O-N 3.36Å; V127-C130 PolarHBondContact O-N 2.74Å
128	K	79	Confident	82.7	Confident	184 Å²	184	67.8 Å²	67.8	80%	0.8	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-70.4	-20.7	172.9	-65.5	-175.6	178.6	-179.1	0	113.7	S126	S126-K128 PolarHBondContact O-N 3.39Å
129	L	83.1	Confident	83.4	Confident	18 Å²	18	74 Å²	74	9%	0.094	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-95	8.1	175.4	-58.5	178.9	0	0	0	112.5	S126 V127 V137 F138 V177 Q180 I181 L184	S126-L129 PolarHBondContact O-N 2.97Å; V127-L129 VanDerWaalsContact C-N 3.28Å; V127-L129 PolarHBondContact O-N 3.36Å; L129-V137 WeakPolarHBondContact O-CA 3.3Å; L129-F138 VanDerWaalsContact C-CD2 3.43Å; L129-F138 VanDerWaalsContact C-CE2 3.5Å; L129-F138 WeakPolarHBondContact O-CD2 3.31Å; L129-F138 PolarHBondContact O-N 2.85Å; L129-V177 HydrophobicContact CD2-CG1 4.48Å; L129-Q180 HydrophobicContact CD2-CB 4.05Å; L129-I181 HydrophobicContact CB-CD1 4.48Å; L129-I181 HydrophobicContact CB-CG1 4.19Å; L129-I181 HydrophobicContact CD1-CG1 4.27Å; L129-I181 HydrophobicContact CD2-CG1 4.28Å; L129-I181 HydrophobicContact CG-CG1 4.48Å; L129-L184 HydrophobicContact CD1-CD1 4.16Å; L129-L184 HydrophobicContact CD1-CD2 4.12Å; L129-L184 HydrophobicContact CD1-CG 4.41Å
130	C	86.5	Confident	83.6	Confident	22 Å²	22	76.2 Å²	76.2	15%	0.149	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	138.3	178.8	-66.1	0	0	0	0	112.5	V127 S136 F138	V127-C130 PolarHBondContact O-N 2.74Å; C130-S136 CarbonylContact C-O 3.53Å; C130-S136 VanDerWaalsContact CA-O 3.32Å; C130-S136 WeakPolarHBondContact CA-O 3.39Å; C130-F138 WeakPolarHBondContact O-CZ 3.4Å
131	C	85.9	Confident	83.7	Confident	1 Å²	1	75.5 Å²	75.5	1%	0.007	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	124.1	178.1	-173.2	0	0	0	0	112	L133 C134 C135 S136 F138 C151	C131-L133 PolarHBondContact O-N 2.93Å; C131-C134 PolarHBondContact O-N 2.77Å; C131-C135 WeakPolarHBondContact O-CA 3.47Å; C131-C135 PolarHBondContact O-N 3.42Å; C131-S136 PolarHBondContact N-O 3.18Å; C131-F138 HydrophobicContact CB-CD1 3.47Å; C131-F138 VanDerWaalsContact CB-CD1 3.47Å; C131-F138 HydrophobicContact CB-CE1 3.51Å; C131-F138 HydrophobicContact CB-CG 4.35Å; C131-F138 HydrophobicContact CB-CZ 4.42Å; C131-C151 WeakPolarHBondContact CB-SG 3.1Å; C131-C151 PolarHBondContact SG-N 2.93Å; C131-C151 VanDerWaalsContact SG-N 3.4Å
132	Q	84.3	Confident	83.7	Confident	127 Å²	127	73.2 Å²	73.2	59%	0.593	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-9.1	179.8	-55.9	-57.8	-43.4	0	0	114.5	P162	Q132-P162 HydrophobicContact CB-CG 4.44Å
133	L	84.2	Confident	83.8	Confident	53 Å²	53	73.6 Å²	73.6	28%	0.277	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-18.9	176	-75.1	173.3	0	0	0	114.3	C131 F150 C154 P162 L168	C131-L133 PolarHBondContact O-N 2.93Å; L133-F150 HydrophobicContact CD1-CB 4.36Å; L133-F150 HydrophobicContact CD1-CD1 3.63Å; L133-F150 HydrophobicContact CD1-CE1 4.14Å; L133-F150 HydrophobicContact CD1-CG 4.01Å; L133-F150 HydrophobicContact CG-CD1 3.85Å; L133-F150 HydrophobicContact CG-CE1 4.09Å; L133-C154 HydrophobicContact CB-CB 3.89Å; L133-C154 HydrophobicContact CD1-CB 3.93Å; L133-P162 HydrophobicContact CD2-CB 4.36Å; L133-P162 HydrophobicContact CD2-CG 3.84Å; L133-P162 HydrophobicContact CG-CG 4.11Å; L133-L168 HydrophobicContact CD1-CD1 4.08Å
134	C	85.4	Confident	83.9	Confident	50 Å²	50	66.2 Å²	66.2	34%	0.338	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.4	12.4	-178.8	69.2	0	0	0	0	113.9	C131 S136 C154	C131-C134 PolarHBondContact O-N 2.77Å; C134-S136 WeakPolarHBondContact O-CB 3.27Å; C134-S136 PolarHBondContact O-N 2.94Å; C134-S136 PolarHBondContact O-OG 2.95Å; C134-C154 VanDerWaalsContact SG-SG 3.68Å
135	C	84.6	Confident	83.9	Confident	113 Å²	113	60.8 Å²	60.8	76%	0.764	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	23.2	176.5	-57.7	0	0	0	0	115.8	C131	C131-C135 WeakPolarHBondContact O-CA 3.47Å; C131-C135 PolarHBondContact O-N 3.42Å
136	S	84.9	Confident	84	Confident	65 Å²	65	61.1 Å²	61.1	46%	0.455	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	157.5	-172.6	-56.8	0	0	0	0	110.2	C130 C131 C134 F138	C130-S136 CarbonylContact C-O 3.53Å; C130-S136 VanDerWaalsContact CA-O 3.32Å; C130-S136 WeakPolarHBondContact CA-O 3.39Å; C131-S136 PolarHBondContact N-O 3.18Å; C134-S136 WeakPolarHBondContact O-CB 3.27Å; C134-S136 PolarHBondContact O-N 2.94Å; C134-S136 PolarHBondContact O-OG 2.95Å; S136-F138 PolarHBondContact O-N 2.57Å
137	V	87.2	Confident	83.9	Confident	20 Å²	20	60.4 Å²	60.4	12%	0.121	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51	137.5	173	-178.8	0	0	0	0	110.4	F121 P125 L129 K139 I181 L184	F121-V137 HydrophobicContact CE2-CG2 4.14Å; F121-V137 HydrophobicContact CZ-CB 4.29Å; F121-V137 HydrophobicContact CZ-CG1 4.45Å; F121-V137 HydrophobicContact CZ-CG2 3.87Å; P125-V137 HydrophobicContact CB-CG2 3.79Å; P125-V137 HydrophobicContact CG-CG2 3.46Å; P125-V137 VanDerWaalsContact CG-CG2 3.46Å; L129-V137 WeakPolarHBondContact O-CA 3.3Å; V137-K139 PolarHBondContact O-N 3.04Å; V137-I181 HydrophobicContact CG1-CD1 3.86Å; V137-I181 HydrophobicContact CG1-CG1 3.92Å; V137-I181 HydrophobicContact CG1-CG2 3.89Å; V137-L184 HydrophobicContact CG1-CD1 4.16Å
138	F	87	Confident	84.2	Confident	19 Å²	19	58.4 Å²	58.4	8%	0.083	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-59	124.4	-173.4	-62.7	-81.8	0	0	0	112.4	L129 C130 C131 S136 P141 T149 V177 I181	L129-F138 VanDerWaalsContact C-CD2 3.43Å; L129-F138 VanDerWaalsContact C-CE2 3.5Å; L129-F138 WeakPolarHBondContact O-CD2 3.31Å; L129-F138 PolarHBondContact O-N 2.85Å; C130-F138 WeakPolarHBondContact O-CZ 3.4Å; C131-F138 HydrophobicContact CB-CD1 3.47Å; C131-F138 VanDerWaalsContact CB-CD1 3.47Å; C131-F138 HydrophobicContact CB-CE1 3.51Å; C131-F138 HydrophobicContact CB-CG 4.35Å; C131-F138 HydrophobicContact CB-CZ 4.42Å; S136-F138 PolarHBondContact O-N 2.57Å; F138-P141 HydrophobicContact CB-CB 3.79Å; F138-P141 HydrophobicContact CB-CG 4.31Å; F138-P141 HydrophobicContact CD1-CB 4.46Å; F138-P141 HydrophobicContact CG-CB 4.11Å; F138-T149 HydrophobicContact CD1-CG2 4.36Å; F138-T149 HydrophobicContact CE1-CG2 4.02Å; F138-T149 VanDerWaalsContact CE1-O 3.26Å; F138-T149 WeakPolarHBondContact CE1-O 3.39Å; F138-T149 HydrophobicContact CZ-CG2 4.13Å; F138-V177 HydrophobicContact CD2-CG1 3.65Å; F138-V177 HydrophobicContact CE2-CG1 4.1Å; F138-V177 HydrophobicContact CG-CG1 4.38Å; F138-I181 HydrophobicContact CB-CD1 3.62Å; F138-I181 HydrophobicContact CD2-CD1 4Å; F138-I181 HydrophobicContact CG-CD1 4.32Å
139	K	86.3	Confident	84.5	Confident	152 Å²	152	51.1 Å²	51.1	66%	0.661	30%	0.295	S	S	*	.	S	Bend	trans	-99.3	121.4	163.9	-64.8	-170	176.8	-170.5	0	108.3	V137 C151	V137-K139 PolarHBondContact O-N 3.04Å; K139-C151 PolarHBondContact N-SG 2.88Å; K139-C151 VanDerWaalsContact N-SG 3.35Å; K139-C151 VanDerWaalsContact O-CA 3.25Å; K139-C151 WeakPolarHBondContact O-CA 3.4Å; K139-C151 WeakPolarHBondContact O-CB 3.32Å
140	D	85.1	Confident	84.8	Confident	106 Å²	106	50.4 Å²	50.4	57%	0.567	29%	0.292	S	S	*	.	S	Bend	trans	48.2	69.8	-170.5	-56.9	-33.1	0	0	0	112.9	V142 R152	D140-V142 PolarHBondContact O-N 2.82Å; D140-R152 HydrophobicContact CB-CB 3.7Å; D140-R152 WeakPolarHBondContact O-CB 3.38Å; D140-R152 PolarHBondContact O-N 3.43Å
141	P	87.9	Confident	84.9	Confident	10 Å²	10	49.6 Å²	49.6	7%	0.065	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	127.2	-179.8	26.6	-34	0	0	0	111.3	F138 T149 F150 N174 V177 A178	F138-P141 HydrophobicContact CB-CB 3.79Å; F138-P141 HydrophobicContact CB-CG 4.31Å; F138-P141 HydrophobicContact CD1-CB 4.46Å; F138-P141 HydrophobicContact CG-CB 4.11Å; P141-T149 HydrophobicContact CB-CG2 3.9Å; P141-F150 WeakPolarHBondContact CA-O 3.49Å; P141-N174 HydrophobicContact CB-CB 4.24Å; P141-N174 PolarHBondContact O-N 3.13Å; P141-V177 HydrophobicContact CB-CB 4.22Å; P141-V177 HydrophobicContact CB-CG1 3.84Å; P141-V177 HydrophobicContact CG-CB 4.28Å; P141-V177 HydrophobicContact CG-CG1 4.06Å; P141-A178 HydrophobicContact CG-CB 3.84Å
142	V	85.4	Confident	85	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	144	177.1	-66.9	0	0	0	0	111.1	D140 T149 F150 R152 A155 V170 V172	D140-V142 PolarHBondContact O-N 2.82Å; V142-T149 VanDerWaalsContact O-CA 3.29Å; V142-T149 WeakPolarHBondContact O-CA 3.38Å; V142-F150 WeakPolarHBondContact CG2-O 3.39Å; V142-F150 PolarHBondContact N-O 2.93Å; V142-F150 PolarHBondContact O-N 3.41Å; V142-R152 HydrophobicContact CG1-CB 4.04Å; V142-R152 HydrophobicContact CG1-CG 4.43Å; V142-R152 HydrophobicContact CG2-CB 4.36Å; V142-A155 HydrophobicContact CG2-CB 4.11Å; V142-V170 HydrophobicContact CB-CG1 3.88Å; V142-V170 HydrophobicContact CG1-CG1 3.98Å; V142-V170 HydrophobicContact CG2-CG1 3.98Å; V142-V170 HydrophobicContact CG2-CG2 4.13Å; V142-V172 CarbonylContact C-O 3.56Å; V142-V172 VanDerWaalsContact CA-O 3.31Å; V142-V172 WeakPolarHBondContact CA-O 3.24Å; V142-V172 WeakPolarHBondContact CB-O 2.97Å
143	I	84.8	Confident	85.2	Confident	50 Å²	50	56.3 Å²	56.3	26%	0.256	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	130.4	169.8	-46.7	-175.2	0	0	0	107.9	V171 V172 N174	I143-V171 PolarHBondContact O-N 2.91Å; I143-V172 HydrophobicContact CB-CG2 3.92Å; I143-V172 HydrophobicContact CD1-CG2 4.06Å; I143-V172 HydrophobicContact CG1-CG2 4.12Å; I143-V172 PolarHBondContact N-O 3.45Å; I143-V172 PolarHBondContact O-N 2.85Å; I143-N174 HydrophobicContact CD1-CB 4.3Å; I143-N174 HydrophobicContact CG1-CB 3.71Å
144	T	84.2	Confident	85.3	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.018	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	170.5	177.6	57.8	0	0	0	0	111.4	C146 G147 H148 F150 A155 L168 T169	T144-C146 PolarHBondContact O-N 2.83Å; T144-G147 PolarHBondContact O-N 3.08Å; T144-H148 PolarHBondContact N-O 3.22Å; T144-H148 PolarHBondContact OG1-O 2.84Å; T144-F150 HydrophobicContact CG2-CD2 3.88Å; T144-A155 HydrophobicContact CG2-CB 3.91Å; T144-L168 HydrophobicContact CG2-CD2 4.13Å; T144-T169 CarbonylContact C-O 3.58Å; T144-T169 VanDerWaalsContact CA-O 3.24Å; T144-T169 WeakPolarHBondContact CA-O 3.21Å; T144-T169 WeakPolarHBondContact CB-O 3.21Å
145	T	78.8	Confident	85.3	Confident	77 Å²	77	52.7 Å²	52.7	47%	0.472	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-24	-175.2	25.7	0	0	0	0	115.6	G147 K167 T169 V171	T145-G147 VanDerWaalsContact C-N 3.33Å; T145-K167 PolarHBondContact OG1-O 3.05Å; T145-T169 WeakPolarHBondContact CG2-OG1 3.14Å; T145-T169 PolarHBondContact N-O 3.34Å; T145-T169 PolarHBondContact OG1-N 3.42Å; T145-T169 PolarHBondContact OG1-O 3.13Å; T145-T169 PolarHBondContact OG1-OG1 3.07Å; T145-V171 HydrophobicContact CG2-CG2 3.67Å
146	C	80	Confident	85.3	Confident	32 Å²	32	53.3 Å²	53.3	22%	0.216	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	10	173.8	58.1	0	0	0	0	114.3	T144 H148 C161 D164 V166	T144-C146 PolarHBondContact O-N 2.83Å; C146-H148 PolarHBondContact O-N 2.81Å; C146-C161 VanDerWaalsContact SG-SG 3.66Å; C146-D164 WeakPolarHBondContact CB-OD2 3.38Å; C146-D164 PolarHBondContact SG-OD2 2.9Å; C146-V166 HydrophobicContact CB-CB 4.13Å; C146-V166 HydrophobicContact CB-CG1 4.38Å; C146-V166 HydrophobicContact CB-CG2 4.45Å
147	G	78.1	Confident	85.3	Confident	52 Å²	52	59.2 Å²	59.2	54%	0.536	30%	0.298	S	S	.	.	S	Bend	trans	79.3	-15.9	-179.1	0	0	0	0	0	114.8	T144 T145	T144-G147 PolarHBondContact O-N 3.08Å; T145-G147 VanDerWaalsContact C-N 3.33Å
148	H	84.8	Confident	85	Confident	72 Å²	72	60.1 Å²	60.1	33%	0.333	31%	0.305	S	S	.	.			trans	-71.7	146.1	176.7	-67.3	110.9	0	0	0	112.7	T144 C146 F150 D164	T144-H148 PolarHBondContact N-O 3.22Å; T144-H148 PolarHBondContact OG1-O 2.84Å; C146-H148 PolarHBondContact O-N 2.81Å; H148-F150 HydrophobicContact CB-CD2 4.45Å; H148-F150 HydrophobicContact CB-CE2 3.51Å; H148-F150 HydrophobicContact CB-CZ 3.71Å; H148-D164 IonicContact CE1-OD2 3.77Å; H148-D164 PolarHBondContact CE1-OD2 3.1Å; H148-D164 VanDerWaalsContact CE1-OD2 3.22Å; H148-D164 IonicContact ND1-OD2 3.63Å; H148-D164 PolarHBondContact ND1-OD2 2.83Å
149	T	85.4	Confident	84.5	Confident	32 Å²	32	66.6 Å²	66.6	20%	0.196	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	133.5	-179	-63.4	0	0	0	0	111.2	F138 P141 V142 N174	F138-T149 HydrophobicContact CD1-CG2 4.36Å; F138-T149 HydrophobicContact CE1-CG2 4.02Å; F138-T149 VanDerWaalsContact CE1-O 3.26Å; F138-T149 WeakPolarHBondContact CE1-O 3.39Å; F138-T149 HydrophobicContact CZ-CG2 4.13Å; P141-T149 HydrophobicContact CB-CG2 3.9Å; V142-T149 VanDerWaalsContact O-CA 3.29Å; V142-T149 WeakPolarHBondContact O-CA 3.38Å; T149-N174 HydrophobicContact CG2-CB 4.08Å; T149-N174 PolarHBondContact OG1-ND2 3.26Å
150	F	89.2	Confident	84.4	Confident	3 Å²	3	64.5 Å²	64.5	1%	0.013	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	162.3	179.8	-60.1	-73.8	0	0	0	111	L133 P141 V142 T144 H148 A155 P162 L168	L133-F150 HydrophobicContact CD1-CB 4.36Å; L133-F150 HydrophobicContact CD1-CD1 3.63Å; L133-F150 HydrophobicContact CD1-CE1 4.14Å; L133-F150 HydrophobicContact CD1-CG 4.01Å; L133-F150 HydrophobicContact CG-CD1 3.85Å; L133-F150 HydrophobicContact CG-CE1 4.09Å; P141-F150 WeakPolarHBondContact CA-O 3.49Å; V142-F150 WeakPolarHBondContact CG2-O 3.39Å; V142-F150 PolarHBondContact N-O 2.93Å; V142-F150 PolarHBondContact O-N 3.41Å; T144-F150 HydrophobicContact CG2-CD2 3.88Å; H148-F150 HydrophobicContact CB-CD2 4.45Å; H148-F150 HydrophobicContact CB-CE2 3.51Å; H148-F150 HydrophobicContact CB-CZ 3.71Å; F150-A155 HydrophobicContact CB-CB 4.13Å; F150-P162 HydrophobicContact CE1-CG 3.83Å; F150-P162 HydrophobicContact CZ-CG 4.15Å; F150-L168 HydrophobicContact CD2-CD2 4.06Å; F150-L168 HydrophobicContact CE2-CD2 3.71Å
151	C	90.6	Very high	84.3	Confident	5 Å²	5	59.6 Å²	59.6	3%	0.034	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	138.6	166.7	-57.3	0	0	0	0	109.6	C131 K139 R153 C154 A155	C131-C151 WeakPolarHBondContact CB-SG 3.1Å; C131-C151 PolarHBondContact SG-N 2.93Å; C131-C151 VanDerWaalsContact SG-N 3.4Å; K139-C151 PolarHBondContact N-SG 2.88Å; K139-C151 VanDerWaalsContact N-SG 3.35Å; K139-C151 VanDerWaalsContact O-CA 3.25Å; K139-C151 WeakPolarHBondContact O-CA 3.4Å; K139-C151 WeakPolarHBondContact O-CB 3.32Å; C151-R153 VanDerWaalsContact C-N 3.34Å; C151-R153 PolarHBondContact O-N 3.29Å; C151-C154 HydrophobicContact CB-CB 3.99Å; C151-C154 WeakPolarHBondContact O-CA 3.49Å; C151-C154 WeakPolarHBondContact O-CB 3.33Å; C151-C154 PolarHBondContact O-N 2.8Å; C151-A155 PolarHBondContact O-N 2.68Å
152	R	87.1	Confident	84	Confident	91 Å²	91	62.6 Å²	62.6	34%	0.343	32%	0.32	S	S	.	.	H	α-helix	trans	-52.8	-47.5	177.9	-179	173.7	-78.3	-83.6	0.6	112.7	D140 V142 C154 A155 L156 N173	D140-R152 HydrophobicContact CB-CB 3.7Å; D140-R152 WeakPolarHBondContact O-CB 3.38Å; D140-R152 PolarHBondContact O-N 3.43Å; V142-R152 HydrophobicContact CG1-CB 4.04Å; V142-R152 HydrophobicContact CG1-CG 4.43Å; V142-R152 HydrophobicContact CG2-CB 4.36Å; R152-C154 PolarHBondContact O-N 2.82Å; R152-A155 PolarHBondContact O-N 3.32Å; R152-L156 HydrophobicContact CG-CD1 4.09Å; R152-L156 VanDerWaalsContact O-CG 3.31Å; R152-L156 WeakPolarHBondContact O-CG 3.26Å; R152-L156 PolarHBondContact O-N 2.67Å; R152-N173 PolarHBondContact NH2-OD1 3.21Å
153	R	88.1	Confident	83.8	Confident	177 Å²	177	66.8 Å²	66.8	67%	0.668	35%	0.346	S	S	*	.	H	α-helix	trans	-62.1	-26.4	175.7	-81.4	179.9	168.1	172.9	-3.9	113	E114 C151 K157	E114-R153 IonicContact OE2-CZ 3.1Å; E114-R153 IonicContact OE2-NH1 3.35Å; E114-R153 PolarHBondContact OE2-NH1 2.93Å; E114-R153 IonicContact OE2-NH2 2.9Å; E114-R153 PolarHBondContact OE2-NH2 2.82Å; C151-R153 VanDerWaalsContact C-N 3.34Å; C151-R153 PolarHBondContact O-N 3.29Å; R153-K157 WeakPolarHBondContact O-CG 3.5Å
154	C	87.4	Confident	83.8	Confident	24 Å²	24	67.1 Å²	67.1	16%	0.162	35%	0.348	C	S	.	.	H	α-helix	trans	-86.1	-42.2	178.3	-60.5	0	0	0	0	112.5	L133 C134 C151 R152 L156 K157 S158	L133-C154 HydrophobicContact CB-CB 3.89Å; L133-C154 HydrophobicContact CD1-CB 3.93Å; C134-C154 VanDerWaalsContact SG-SG 3.68Å; C151-C154 HydrophobicContact CB-CB 3.99Å; C151-C154 WeakPolarHBondContact O-CA 3.49Å; C151-C154 WeakPolarHBondContact O-CB 3.33Å; C151-C154 PolarHBondContact O-N 2.8Å; R152-C154 PolarHBondContact O-N 2.82Å; C154-L156 PolarHBondContact O-N 2.83Å; C154-K157 PolarHBondContact O-N 2.88Å; C154-S158 PolarHBondContact O-N 3.3Å
155	A	84.7	Confident	83.6	Confident	4 Å²	4	72.2 Å²	72.2	3%	0.033	38%	0.375	C	S	.	.	H	α-helix	trans	-63.3	-23.1	175.7	0	0	0	0	0	113.4	V142 T144 F150 C151 R152 V170	V142-A155 HydrophobicContact CG2-CB 4.11Å; T144-A155 HydrophobicContact CG2-CB 3.91Å; F150-A155 HydrophobicContact CB-CB 4.13Å; C151-A155 PolarHBondContact O-N 2.68Å; R152-A155 PolarHBondContact O-N 3.32Å; A155-V170 HydrophobicContact CB-CG2 3.75Å
156	L	83.9	Confident	83.8	Confident	125 Å²	125	72 Å²	72	65%	0.654	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-15.2	174.3	-67.2	170.9	0	0	0	113.8	R152 C154 V170	R152-L156 HydrophobicContact CG-CD1 4.09Å; R152-L156 VanDerWaalsContact O-CG 3.31Å; R152-L156 WeakPolarHBondContact O-CG 3.26Å; R152-L156 PolarHBondContact O-N 2.67Å; C154-L156 PolarHBondContact O-N 2.83Å; L156-V170 HydrophobicContact CD2-CG2 4.24Å; L156-V170 HydrophobicContact CG-CG2 4.45Å
157	K	85.4	Confident	83.9	Confident	189 Å²	189	77.9 Å²	77.9	82%	0.822	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-23.8	178.6	-78.2	-169.7	174.9	-169.5	0	113.8	R153 C154	R153-K157 WeakPolarHBondContact O-CG 3.5Å; C154-K157 PolarHBondContact O-N 2.88Å
158	S	80.3	Confident	83.9	Confident	40 Å²	40	76 Å²	76	28%	0.28	37%	0.373	S	S	.	.			trans	-97.5	128	173.1	-173.6	0	0	0	0	110.6	C154 K160	C154-S158 PolarHBondContact O-N 3.3Å; S158-K160 VanDerWaalsContact C-N 3.29Å; S158-K160 PolarHBondContact O-N 3.14Å; S158-K160 PolarHBondContact OG-O 3.03Å
159	E	77.9	Confident	83.5	Confident	154 Å²	154	75.9 Å²	75.9	72%	0.72	38%	0.377	S	S	*	.	S	Bend	trans	-70.4	-25.6	175.7	-61.4	-166.8	144.6	0	0	113.1	K167 L168	E159-K167 WeakPolarHBondContact O-CA 3.14Å; E159-L168 PolarHBondContact O-N 2.85Å
160	K	84	Confident	83.1	Confident	109 Å²	109	76.4 Å²	76.4	47%	0.474	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-134.3	152.8	-171	-57.5	-170.2	-171.4	-180	0	112.9	S158 N165 V166 L168	S158-K160 VanDerWaalsContact C-N 3.29Å; S158-K160 PolarHBondContact O-N 3.14Å; S158-K160 PolarHBondContact OG-O 3.03Å; K160-N165 WeakPolarHBondContact CD-OD1 3.41Å; K160-V166 CarbonylContact C-O 3.48Å; K160-V166 WeakPolarHBondContact CA-O 3.48Å; K160-L168 WeakPolarHBondContact O-CD1 3.38Å
161	C	82.7	Confident	82.4	Confident	3 Å²	3	80.4 Å²	80.4	2%	0.02	41%	0.405	C	S	.	.			trans	-74.4	131.5	176.9	-177.8	0	0	0	0	110.8	C146 V163 D164 N165 V166 L168	C146-C161 VanDerWaalsContact SG-SG 3.66Å; C161-V163 PolarHBondContact O-N 3.2Å; C161-V163 PolarHBondContact SG-N 2.62Å; C161-V163 VanDerWaalsContact SG-N 3.39Å; C161-D164 WeakPolarHBondContact CB-OD1 3.45Å; C161-D164 PolarHBondContact SG-OD1 2.91Å; C161-D164 VanDerWaalsContact SG-OD1 3.4Å; C161-D164 PolarHBondContact SG-OD2 3.09Å; C161-N165 WeakPolarHBondContact O-CA 3.27Å; C161-N165 PolarHBondContact O-N 2.74Å; C161-V166 PolarHBondContact N-O 3.27Å; C161-L168 HydrophobicContact CB-CD2 3.68Å; C161-L168 HydrophobicContact CB-CG 4.29Å
162	P	82.4	Confident	82.1	Confident	73 Å²	73	83.9 Å²	83.9	47%	0.474	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-9.2	176.7	31.2	-36.2	0	0	0	113.8	Q132 L133 F150	Q132-P162 HydrophobicContact CB-CG 4.44Å; L133-P162 HydrophobicContact CD2-CB 4.36Å; L133-P162 HydrophobicContact CD2-CG 3.84Å; L133-P162 HydrophobicContact CG-CG 4.11Å; F150-P162 HydrophobicContact CE1-CG 3.83Å; F150-P162 HydrophobicContact CZ-CG 4.15Å
163	V	79.9	Confident	81.9	Confident	88 Å²	88	84.1 Å²	84.1	53%	0.533	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-41.9	-177.3	-169.1	0	0	0	0	112.2	C161	C161-V163 PolarHBondContact O-N 3.2Å; C161-V163 PolarHBondContact SG-N 2.62Å; C161-V163 VanDerWaalsContact SG-N 3.39Å
164	D	84.4	Confident	81.7	Confident	56 Å²	56	76.8 Å²	76.8	30%	0.299	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.8	-1.2	-170.2	56	53.5	0	0	0	113.9	C146 H148 C161 V166	C146-D164 WeakPolarHBondContact CB-OD2 3.38Å; C146-D164 PolarHBondContact SG-OD2 2.9Å; H148-D164 IonicContact CE1-OD2 3.77Å; H148-D164 PolarHBondContact CE1-OD2 3.1Å; H148-D164 VanDerWaalsContact CE1-OD2 3.22Å; H148-D164 IonicContact ND1-OD2 3.63Å; H148-D164 PolarHBondContact ND1-OD2 2.83Å; C161-D164 WeakPolarHBondContact CB-OD1 3.45Å; C161-D164 PolarHBondContact SG-OD1 2.91Å; C161-D164 VanDerWaalsContact SG-OD1 3.4Å; C161-D164 PolarHBondContact SG-OD2 3.09Å; D164-V166 HydrophobicContact CB-CG2 4.31Å; D164-V166 PolarHBondContact O-N 3.18Å; D164-V166 VanDerWaalsContact O-N 3.1Å; D164-V166 WeakPolarHBondContact OD1-CB 3.43Å; D164-V166 VanDerWaalsContact OD1-CG2 3.24Å; D164-V166 WeakPolarHBondContact OD1-CG2 3.26Å; D164-V166 PolarHBondContact OD1-N 3.22Å
165	N	81.2	Confident	81	Confident	111 Å²	111	80.9 Å²	80.9	59%	0.594	43%	0.427	S	S	*	.			trans	61.7	8.7	179.9	-148.6	7.9	0	0	0	115.3	K160 C161	K160-N165 WeakPolarHBondContact CD-OD1 3.41Å; C161-N165 WeakPolarHBondContact O-CA 3.27Å; C161-N165 PolarHBondContact O-N 2.74Å
166	V	82.3	Confident	80.3	Confident	73 Å²	73	83.2 Å²	83.2	44%	0.442	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-69.4	148.1	174.9	179.9	0	0	0	0	110	C146 K160 C161 D164 L168	C146-V166 HydrophobicContact CB-CB 4.13Å; C146-V166 HydrophobicContact CB-CG1 4.38Å; C146-V166 HydrophobicContact CB-CG2 4.45Å; K160-V166 CarbonylContact C-O 3.48Å; K160-V166 WeakPolarHBondContact CA-O 3.48Å; C161-V166 PolarHBondContact N-O 3.27Å; D164-V166 HydrophobicContact CB-CG2 4.31Å; D164-V166 PolarHBondContact O-N 3.18Å; D164-V166 VanDerWaalsContact O-N 3.1Å; D164-V166 WeakPolarHBondContact OD1-CB 3.43Å; D164-V166 VanDerWaalsContact OD1-CG2 3.24Å; D164-V166 WeakPolarHBondContact OD1-CG2 3.26Å; D164-V166 PolarHBondContact OD1-N 3.22Å; V166-L168 PolarHBondContact O-N 3.46Å
167	K	81.8	Confident	80.1	Confident	154 Å²	154	78.3 Å²	78.3	67%	0.67	42%	0.421	S	S	*	.	B	Isolated β-bridge	trans	-61	124.7	176.1	-173.6	177.2	-177.5	176.4	0	110.4	T145 E159 T169	T145-K167 PolarHBondContact OG1-O 3.05Å; E159-K167 WeakPolarHBondContact O-CA 3.14Å; K167-T169 PolarHBondContact O-N 3.15Å
168	L	78.5	Confident	79.8	Confident	12 Å²	12	71.4 Å²	71.4	6%	0.063	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-75.3	120.9	178.6	-67.6	177.7	0	0	0	110.3	L133 T144 F150 E159 K160 C161 V166	L133-L168 HydrophobicContact CD1-CD1 4.08Å; T144-L168 HydrophobicContact CG2-CD2 4.13Å; F150-L168 HydrophobicContact CD2-CD2 4.06Å; F150-L168 HydrophobicContact CE2-CD2 3.71Å; E159-L168 PolarHBondContact O-N 2.85Å; K160-L168 WeakPolarHBondContact O-CD1 3.38Å; C161-L168 HydrophobicContact CB-CD2 3.68Å; C161-L168 HydrophobicContact CB-CG 4.29Å; V166-L168 PolarHBondContact O-N 3.46Å
169	T	76.2	Confident	79.6	Confident	70 Å²	70	75.6 Å²	75.6	43%	0.429	42%	0.415	S	S	.	.			trans	-130.5	137.2	161.9	42.9	0	0	0	0	108.9	T144 T145 K167	T144-T169 CarbonylContact C-O 3.58Å; T144-T169 VanDerWaalsContact CA-O 3.24Å; T144-T169 WeakPolarHBondContact CA-O 3.21Å; T144-T169 WeakPolarHBondContact CB-O 3.21Å; T145-T169 WeakPolarHBondContact CG2-OG1 3.14Å; T145-T169 PolarHBondContact N-O 3.34Å; T145-T169 PolarHBondContact OG1-N 3.42Å; T145-T169 PolarHBondContact OG1-O 3.13Å; T145-T169 PolarHBondContact OG1-OG1 3.07Å; K167-T169 PolarHBondContact O-N 3.15Å
170	V	76.8	Confident	79.7	Confident	44 Å²	44	73.6 Å²	73.6	27%	0.267	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	126.2	-174.7	175.3	0	0	0	0	109.5	V142 A155 L156	V142-V170 HydrophobicContact CB-CG1 3.88Å; V142-V170 HydrophobicContact CG1-CG1 3.98Å; V142-V170 HydrophobicContact CG2-CG1 3.98Å; V142-V170 HydrophobicContact CG2-CG2 4.13Å; A155-V170 HydrophobicContact CB-CG2 3.75Å; L156-V170 HydrophobicContact CD2-CG2 4.24Å; L156-V170 HydrophobicContact CG-CG2 4.45Å
171	V	75.5	Confident	79.7	Confident	87 Å²	87	69 Å²	69	53%	0.527	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-56.4	-174.1	-172.7	0	0	0	0	111.4	I143 T145	I143-V171 PolarHBondContact O-N 2.91Å; T145-V171 HydrophobicContact CG2-CG2 3.67Å
172	V	83.8	Confident	79.7	Confident	78 Å²	78	69.4 Å²	69.4	47%	0.473	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	160.2	-177.9	-73	0	0	0	0	112.4	V142 I143	V142-V172 CarbonylContact C-O 3.56Å; V142-V172 VanDerWaalsContact CA-O 3.31Å; V142-V172 WeakPolarHBondContact CA-O 3.24Å; V142-V172 WeakPolarHBondContact CB-O 2.97Å; I143-V172 HydrophobicContact CB-CG2 3.92Å; I143-V172 HydrophobicContact CD1-CG2 4.06Å; I143-V172 HydrophobicContact CG1-CG2 4.12Å; I143-V172 PolarHBondContact N-O 3.45Å; I143-V172 PolarHBondContact O-N 2.85Å
173	N	83.4	Confident	79.7	Confident	95 Å²	95	70.7 Å²	70.7	51%	0.508	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	135.4	167.3	-69.3	-20.5	0	0	0	110.1	R152 I175	R152-N173 PolarHBondContact NH2-OD1 3.21Å; N173-I175 HydrophobicContact CB-CG1 4.32Å; N173-I175 PolarHBondContact O-N 2.9Å
174	N	83.3	Confident	80	Confident	24 Å²	24	68 Å²	68	13%	0.128	37%	0.373	C	S	.	.			trans	-87.9	81.6	171.2	-167.4	-23.9	0	0	0	109.6	P141 I143 T149 A176 V177 A178	P141-N174 HydrophobicContact CB-CB 4.24Å; P141-N174 PolarHBondContact O-N 3.13Å; I143-N174 HydrophobicContact CD1-CB 4.3Å; I143-N174 HydrophobicContact CG1-CB 3.71Å; T149-N174 HydrophobicContact CG2-CB 4.08Å; T149-N174 PolarHBondContact OG1-ND2 3.26Å; N174-A176 VanDerWaalsContact C-N 3.32Å; N174-A176 PolarHBondContact O-N 3.15Å; N174-V177 HydrophobicContact CB-CB 4.27Å; N174-V177 VanDerWaalsContact ND2-CG2 3.32Å; N174-V177 WeakPolarHBondContact ND2-CG2 3.47Å; N174-V177 PolarHBondContact O-N 3.41Å; N174-V177 WeakPolarHBondContact OD1-CG2 3.44Å; N174-V177 PolarHBondContact OD1-N 3.34Å; N174-A178 PolarHBondContact O-N 2.83Å
175	I	73	Confident	80.3	Confident	110 Å²	110	69.9 Å²	69.9	56%	0.564	38%	0.379	S	S	*	.	H	α-helix	trans	-58.9	-43	-175.4	-59.1	173.9	0	0	0	111.1	N173 V177 A178 E179	N173-I175 HydrophobicContact CB-CG1 4.32Å; N173-I175 PolarHBondContact O-N 2.9Å; I175-V177 VanDerWaalsContact C-N 3.34Å; I175-V177 PolarHBondContact O-N 3.36Å; I175-A178 WeakPolarHBondContact O-CA 3.35Å; I175-A178 WeakPolarHBondContact O-CB 3.33Å; I175-A178 PolarHBondContact O-N 2.93Å; I175-E179 HydrophobicContact CG2-CG 4.33Å; I175-E179 WeakPolarHBondContact CG2-OE1 3.17Å; I175-E179 WeakPolarHBondContact O-CG 3.35Å; I175-E179 PolarHBondContact O-N 3.1Å
176	A	70.1	Confident	80.7	Confident	52 Å²	52	64.6 Å²	64.6	43%	0.43	35%	0.35	S	S	.	.	H	α-helix	trans	-62.1	-37.4	180	0	0	0	0	0	113.3	N174 Q180	N174-A176 VanDerWaalsContact C-N 3.32Å; N174-A176 PolarHBondContact O-N 3.15Å; A176-Q180 VanDerWaalsContact O-CG 3.3Å; A176-Q180 WeakPolarHBondContact O-CG 3.49Å; A176-Q180 PolarHBondContact O-N 3.06Å; A176-Q180 VanDerWaalsContact O-N 3.1Å
177	V	79.4	Confident	81	Confident	22 Å²	22	62.8 Å²	62.8	13%	0.133	34%	0.337	C	S	.	.	H	α-helix	trans	-73.6	-32.9	174.1	173.2	0	0	0	0	111.4	L129 F138 P141 N174 I175 I181	L129-V177 HydrophobicContact CD2-CG1 4.48Å; F138-V177 HydrophobicContact CD2-CG1 3.65Å; F138-V177 HydrophobicContact CE2-CG1 4.1Å; F138-V177 HydrophobicContact CG-CG1 4.38Å; P141-V177 HydrophobicContact CB-CB 4.22Å; P141-V177 HydrophobicContact CB-CG1 3.84Å; P141-V177 HydrophobicContact CG-CB 4.28Å; P141-V177 HydrophobicContact CG-CG1 4.06Å; N174-V177 HydrophobicContact CB-CB 4.27Å; N174-V177 VanDerWaalsContact ND2-CG2 3.32Å; N174-V177 WeakPolarHBondContact ND2-CG2 3.47Å; N174-V177 PolarHBondContact O-N 3.41Å; N174-V177 WeakPolarHBondContact OD1-CG2 3.44Å; N174-V177 PolarHBondContact OD1-N 3.34Å; I175-V177 VanDerWaalsContact C-N 3.34Å; I175-V177 PolarHBondContact O-N 3.36Å; V177-I181 HydrophobicContact CG1-CD1 3.91Å; V177-I181 WeakPolarHBondContact O-CB 3.4Å; V177-I181 WeakPolarHBondContact O-CD1 3.36Å; V177-I181 VanDerWaalsContact O-CG1 3.3Å; V177-I181 WeakPolarHBondContact O-CG1 3.13Å; V177-I181 PolarHBondContact O-N 2.9Å; V177-I181 VanDerWaalsContact O-N 3.1Å
178	A	79	Confident	81.2	Confident	45 Å²	45	55.5 Å²	55.5	37%	0.372	31%	0.305	S	S	.	.	H	α-helix	trans	-65.4	-41.3	173.3	0	0	0	0	0	112.1	P141 N174 I175 I181 G182	P141-A178 HydrophobicContact CG-CB 3.84Å; N174-A178 PolarHBondContact O-N 2.83Å; I175-A178 WeakPolarHBondContact O-CA 3.35Å; I175-A178 WeakPolarHBondContact O-CB 3.33Å; I175-A178 PolarHBondContact O-N 2.93Å; A178-I181 PolarHBondContact O-N 3.47Å; A178-G182 PolarHBondContact O-N 2.98Å
179	E	76.6	Confident	81.6	Confident	127 Å²	127	60.4 Å²	60.4	59%	0.593	32%	0.323	S	S	*	.	H	α-helix	trans	-63.4	-47.1	175	-72.5	170.3	175.8	0	0	111.6	I175 I181 G182 E183	I175-E179 HydrophobicContact CG2-CG 4.33Å; I175-E179 WeakPolarHBondContact CG2-OE1 3.17Å; I175-E179 WeakPolarHBondContact O-CG 3.35Å; I175-E179 PolarHBondContact O-N 3.1Å; E179-I181 PolarHBondContact O-N 2.79Å; E179-G182 PolarHBondContact O-N 3.17Å; E179-E183 PolarHBondContact O-N 3.41Å; E179-E183 VanDerWaalsContact O-N 3.1Å
180	Q	79.9	Confident	82	Confident	112 Å²	112	59 Å²	59	52%	0.523	31%	0.311	S	S	.	.	H	α-helix	trans	-59.7	-30.6	175.4	-73.8	174.2	9.3	0	0	113.3	L129 A176	L129-Q180 HydrophobicContact CD2-CB 4.05Å; A176-Q180 VanDerWaalsContact O-CG 3.3Å; A176-Q180 WeakPolarHBondContact O-CG 3.49Å; A176-Q180 PolarHBondContact O-N 3.06Å; A176-Q180 VanDerWaalsContact O-N 3.1Å
181	I	84	Confident	82.4	Confident	13 Å²	13	56.9 Å²	56.9	7%	0.067	30%	0.299	C	S	.	.	H	α-helix	trans	-79.2	-35.7	174.7	-73.3	168.6	0	0	0	111.5	L129 V137 F138 V177 A178 E179 E183 L184 L216	L129-I181 HydrophobicContact CB-CD1 4.48Å; L129-I181 HydrophobicContact CB-CG1 4.19Å; L129-I181 HydrophobicContact CD1-CG1 4.27Å; L129-I181 HydrophobicContact CD2-CG1 4.28Å; L129-I181 HydrophobicContact CG-CG1 4.48Å; V137-I181 HydrophobicContact CG1-CD1 3.86Å; V137-I181 HydrophobicContact CG1-CG1 3.92Å; V137-I181 HydrophobicContact CG1-CG2 3.89Å; F138-I181 HydrophobicContact CB-CD1 3.62Å; F138-I181 HydrophobicContact CD2-CD1 4Å; F138-I181 HydrophobicContact CG-CD1 4.32Å; V177-I181 HydrophobicContact CG1-CD1 3.91Å; V177-I181 WeakPolarHBondContact O-CB 3.4Å; V177-I181 WeakPolarHBondContact O-CD1 3.36Å; V177-I181 VanDerWaalsContact O-CG1 3.3Å; V177-I181 WeakPolarHBondContact O-CG1 3.13Å; V177-I181 PolarHBondContact O-N 2.9Å; V177-I181 VanDerWaalsContact O-N 3.1Å; A178-I181 PolarHBondContact O-N 3.47Å; E179-I181 PolarHBondContact O-N 2.79Å; I181-E183 PolarHBondContact O-N 3.45Å; I181-L184 HydrophobicContact CB-CD1 4.44Å; I181-L184 HydrophobicContact CG1-CD1 4.37Å; I181-L184 HydrophobicContact CG2-CD1 4.36Å; I181-L184 WeakPolarHBondContact O-CB 3.23Å; I181-L184 WeakPolarHBondContact O-CG 3.45Å; I181-L184 PolarHBondContact O-N 3.07Å; I181-L184 VanDerWaalsContact O-N 3.16Å; I181-L216 HydrophobicContact CG2-CD2 3.78Å
182	G	81.9	Confident	82.9	Confident	11 Å²	11	53.7 Å²	53.7	11%	0.113	28%	0.28	C	S	.	.	H	α-helix	trans	-60.6	-31.9	173.5	0	0	0	0	0	113.4	A178 E179 L184 L216 S217	A178-G182 PolarHBondContact O-N 2.98Å; E179-G182 PolarHBondContact O-N 3.17Å; G182-L184 VanDerWaalsContact C-N 3.28Å; G182-L184 PolarHBondContact O-N 3.42Å; G182-L216 PolarHBondContact O-N 2.91Å; G182-L216 VanDerWaalsContact O-N 3.12Å; G182-S217 WeakPolarHBondContact O-CB 3.33Å; G182-S217 PolarHBondContact O-N 3.45Å; G182-S217 PolarHBondContact O-OG 2.69Å; G182-S217 VanDerWaalsContact O-OG 3.1Å
183	E	83.2	Confident	82.9	Confident	101 Å²	101	55.3 Å²	55.3	47%	0.472	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-10.2	176.9	-71	-69.4	97.2	0	0	114.5	E179 I181 K215	E179-E183 PolarHBondContact O-N 3.41Å; E179-E183 VanDerWaalsContact O-N 3.1Å; I181-E183 PolarHBondContact O-N 3.45Å; E183-K215 WeakPolarHBondContact OE1-CD 3.23Å; E183-K215 WeakPolarHBondContact OE1-CE 3.5Å; E183-K215 IonicContact OE1-NZ 3.35Å; E183-K215 PolarHBondContact OE1-NZ 2.68Å; E183-K215 WeakPolarHBondContact OE2-CE 3.2Å; E183-K215 IonicContact OE2-NZ 3.01Å; E183-K215 PolarHBondContact OE2-NZ 3.07Å
184	L	86.8	Confident	82.8	Confident	32 Å²	32	53.7 Å²	53.7	17%	0.168	28%	0.278	C	S	.	.	S	Bend	trans	-68.5	137.1	177.5	-63.8	171.8	0	0	0	111.5	F121 P125 L129 V137 I181 G182 L216	F121-L184 HydrophobicContact CD1-CB 4.25Å; F121-L184 HydrophobicContact CD1-CD1 4.49Å; F121-L184 HydrophobicContact CE1-CB 4.08Å; F121-L184 HydrophobicContact CE1-CD1 3.85Å; P125-L184 HydrophobicContact CB-CD1 4.02Å; P125-L184 HydrophobicContact CB-CD2 4.33Å; L129-L184 HydrophobicContact CD1-CD1 4.16Å; L129-L184 HydrophobicContact CD1-CD2 4.12Å; L129-L184 HydrophobicContact CD1-CG 4.41Å; V137-L184 HydrophobicContact CG1-CD1 4.16Å; I181-L184 HydrophobicContact CB-CD1 4.44Å; I181-L184 HydrophobicContact CG1-CD1 4.37Å; I181-L184 HydrophobicContact CG2-CD1 4.36Å; I181-L184 WeakPolarHBondContact O-CB 3.23Å; I181-L184 WeakPolarHBondContact O-CG 3.45Å; I181-L184 PolarHBondContact O-N 3.07Å; I181-L184 VanDerWaalsContact O-N 3.16Å; G182-L184 VanDerWaalsContact C-N 3.28Å; G182-L184 PolarHBondContact O-N 3.42Å; L184-L216 PolarHBondContact O-N 2.93Å
185	F	89.5	Confident	82.2	Confident	94 Å²	94	54.1 Å²	54.1	41%	0.412	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	131.2	176.6	-72.2	-89.8	0	0	0	112.1	A122 I214 K215	A122-F185 HydrophobicContact CB-CB 4.01Å; A122-F185 PolarHBondContact N-O 3.06Å; F185-I214 CarbonylContact C-O 3.41Å; F185-I214 WeakPolarHBondContact CA-O 3.27Å; F185-K215 HydrophobicContact CD1-CG 4.33Å; F185-K215 HydrophobicContact CE1-CG 3.87Å; F185-K215 HydrophobicContact CE2-CG 4.42Å; F185-K215 HydrophobicContact CZ-CG 3.92Å
186	I	90.1	Very high	82	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	159.2	174.9	57.5	154.8	0	0	0	110.5	L119 V120 F121 T213 I214 L216 R219	L119-I186 HydrophobicContact CD1-CD1 4.4Å; L119-I186 HydrophobicContact CD1-CG2 3.9Å; V120-I186 CarbonylContact O-C 3.48Å; V120-I186 VanDerWaalsContact O-CA 3.3Å; V120-I186 WeakPolarHBondContact O-CA 3.48Å; F121-I186 HydrophobicContact CD1-CG2 3.57Å; F121-I186 HydrophobicContact CE1-CG2 3.8Å; F121-I186 HydrophobicContact CG-CG2 4.16Å; I186-T213 CarbonylContact O-C 3.56Å; I186-T213 VanDerWaalsContact O-CA 3.3Å; I186-T213 WeakPolarHBondContact O-CA 3.43Å; I186-I214 HydrophobicContact CD1-CG1 4.39Å; I186-I214 HydrophobicContact CG1-CG1 3.96Å; I186-I214 WeakPolarHBondContact CG1-O 3.39Å; I186-I214 PolarHBondContact N-O 2.82Å; I186-I214 PolarHBondContact O-N 2.92Å; I186-L216 HydrophobicContact CD1-CD1 3.8Å; I186-L216 HydrophobicContact CG1-CD1 4.43Å; I186-L216 HydrophobicContact CG2-CD1 4.45Å; I186-R219 HydrophobicContact CD1-CB 4.29Å; I186-R219 HydrophobicContact CD1-CG 3.97Å
187	H	88.1	Confident	81.4	Confident	36 Å²	36	53.4 Å²	53.4	17%	0.167	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	140	164.9	-66	-90.5	0	0	0	110.1	V120 V205 T213	V120-H187 HydrophobicContact CB-CB 4.48Å; V120-H187 PolarHBondContact O-N 2.66Å; H187-V205 HydrophobicContact CB-CG2 4.5Å; H187-T213 VanDerWaalsContact CE1-CG2 3.47Å; H187-T213 WeakPolarHBondContact CE1-CG2 3.46Å
188	C	87.1	Confident	80.4	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	32%	0.324	C	S	.	.			trans	-55.7	141.9	173.2	173	0	0	0	0	111.2	H190 G191 C210 F212 I214 H222	C188-H190 PolarHBondContact O-N 3.3Å; C188-G191 WeakPolarHBondContact O-CA 3.43Å; C188-G191 PolarHBondContact O-N 2.91Å; C188-C210 HydrophobicContact CB-CB 4Å; C188-F212 PolarHBondContact N-O 2.87Å; C188-I214 HydrophobicContact CB-CD1 4.21Å; C188-H222 VanDerWaalsContact SG-CD2 3.51Å
189	R	85.7	Confident	79.4	Confident	115 Å²	115	60 Å²	60	43%	0.434	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-52.4	-31.1	177.7	68.5	-173.4	-76.5	173.9	0.5	114.3	P118 G191 C192 E223	P118-R189 HydrophobicContact CG-CB 3.68Å; R189-G191 PolarHBondContact O-N 2.79Å; R189-C192 PolarHBondContact O-N 3.22Å; R189-E223 VanDerWaalsContact CB-OE1 3.22Å; R189-E223 WeakPolarHBondContact CB-OE1 3.4Å; R189-E223 WeakPolarHBondContact CD-OE2 3.33Å; R189-E223 VanDerWaalsContact CG-CD 3.4Å; R189-E223 HydrophobicContact CG-CG 3.9Å; R189-E223 VanDerWaalsContact CG-OE1 3.31Å; R189-E223 WeakPolarHBondContact CG-OE1 3.44Å; R189-E223 PolarHBondContact N-OE1 3.02Å
190	H	85.4	Confident	78.5	Confident	41 Å²	41	59 Å²	59	19%	0.19	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-81.9	-1.9	179.5	-59.7	-58.4	0	0	0	112.9	C188 G209 C210	C188-H190 PolarHBondContact O-N 3.3Å; H190-G209 CarbonylContact O-C 3.58Å; H190-G209 WeakPolarHBondContact O-CA 3.47Å; H190-C210 HydrophobicContact CB-CB 4.21Å; H190-C210 PolarHBondContact O-N 3.04Å
191	G	84.7	Confident	77.9	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-101.9	6.2	167.3	0	0	0	0	0	113.8	C188 R189 V205 D206 C210	C188-G191 WeakPolarHBondContact O-CA 3.43Å; C188-G191 PolarHBondContact O-N 2.91Å; R189-G191 PolarHBondContact O-N 2.79Å; G191-V205 CarbonylContact O-C 3.52Å; G191-V205 WeakPolarHBondContact O-CA 3.48Å; G191-V205 WeakPolarHBondContact O-CG1 3.33Å; G191-D206 PolarHBondContact O-N 3.36Å; G191-C210 VanDerWaalsContact CA-O 3.3Å; G191-C210 WeakPolarHBondContact CA-O 3.48Å
192	C	85.8	Confident	77.5	Confident	20 Å²	20	60.7 Å²	60.7	14%	0.135	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	147.6	-174.2	-63.7	0	0	0	0	112.3	P118 V120 R189 E204	P118-C192 HydrophobicContact CB-CB 3.75Å; P118-C192 HydrophobicContact CG-CB 4.47Å; V120-C192 HydrophobicContact CG2-CB 4.44Å; R189-C192 PolarHBondContact O-N 3.22Å; C192-E204 CarbonylContact C-O 3.47Å; C192-E204 VanDerWaalsContact CA-O 3.25Å; C192-E204 WeakPolarHBondContact CA-O 3.19Å
193	R	84.1	Confident	77.5	Confident	111 Å²	111	62.7 Å²	62.7	42%	0.419	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	155.2	175.7	63.6	177.4	-165.4	176.6	7	110.9	F203 E204 D206	R193-F203 VanDerWaalsContact O-CA 3.32Å; R193-F203 WeakPolarHBondContact O-CA 3.21Å; R193-E204 HydrophobicContact CG-CB 4.38Å; R193-E204 IonicContact CZ-OE2 3.55Å; R193-E204 PolarHBondContact N-O 2.75Å; R193-E204 IonicContact NE-OE2 3.93Å; R193-E204 IonicContact NH2-OE2 2.82Å; R193-E204 PolarHBondContact NH2-OE2 2.96Å; R193-E204 PolarHBondContact O-N 3.3Å; R193-D206 HydrophobicContact CB-CB 4.07Å; R193-D206 WeakPolarHBondContact CD-OD2 3.46Å; R193-D206 HydrophobicContact CG-CB 3.96Å
194	A	80.8	Confident	77.5	Confident	62 Å²	62	62.1 Å²	62.1	51%	0.512	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	134	174.1	0	0	0	0	0	111.5	I202 F203	A194-I202 WeakPolarHBondContact CA-O 3.44Å; A194-F203 HydrophobicContact CB-CD1 4.28Å; A194-F203 HydrophobicContact CB-CE1 4.07Å
195	A	72.1	Confident	77.4	Confident	32 Å²	32	63.5 Å²	63.5	26%	0.264	37%	0.371	S	S	.	.			trans	-105.1	75.1	-178.1	0	0	0	0	0	110.9	I202 E204	A195-I202 HydrophobicContact CB-CG2 4.49Å; A195-I202 PolarHBondContact N-O 2.8Å; A195-E204 HydrophobicContact CB-CB 4.33Å; A195-E204 HydrophobicContact CB-CG 3.67Å
196	G	67	Low	77.1	Confident	54 Å²	54	60 Å²	60	56%	0.557	36%	0.357	S	S	*	.	S	Bend	trans	88.6	157.5	176	0	0	0	0	0	115.2	G198	G196-G198 PolarHBondContact O-N 2.68Å
197	G	58	Low	76.6	Confident	94 Å²	94	65.9 Å²	65.9	97%	0.969	39%	0.394	S	S	*	.	S	Bend	trans	-80.2	42.5	-170.3	0	0	0	0	0	115.9
198	G	58.7	Low	76.2	Confident	43 Å²	43	73.5 Å²	73.5	44%	0.443	42%	0.422	S	S	.	.			trans	-77.7	151.2	169.9	0	0	0	0	0	112.1	G196 P200 P201	G196-G198 PolarHBondContact O-N 2.68Å; G198-P200 CarbonylContact C-O 3.6Å; G198-P200 CarbonylContact O-C 3.2Å; G198-P201 VanDerWaalsContact O-CA 3.31Å; G198-P201 WeakPolarHBondContact O-CA 3.34Å; G198-P201 VanDerWaalsContact O-N 3.08Å
199	K	58.4	Low	76	Confident	163 Å²	163	74.2 Å²	74.2	71%	0.709	43%	0.429	S	S	*	.	S	Bend	trans	-110.2	118.5	159.4	-90.3	-164.4	167.5	-166.8	0	108.6	E113	E113-K199 IonicContact OE1-NZ 3.63Å; E113-K199 PolarHBondContact OE1-NZ 2.9Å; E113-K199 IonicContact OE2-NZ 3.63Å; E113-K199 PolarHBondContact OE2-NZ 2.85Å
200	P	57.3	Low	76	Confident	106 Å²	106	68.8 Å²	68.8	69%	0.688	41%	0.408	S	S	*	.	S	Bend	cis	-69.1	152.6	-7.3	31.7	-35.8	0	0	0	112.3	G198	G198-P200 CarbonylContact C-O 3.6Å; G198-P200 CarbonylContact O-C 3.2Å
201	P	66.4	Low	75.9	Confident	38 Å²	38	71 Å²	71	25%	0.247	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-70.1	138.8	175.1	29.1	-34.6	0	0	0	110.8	P116 G198 F203	P116-P201 HydrophobicContact CG-CG 3.7Å; G198-P201 VanDerWaalsContact O-CA 3.31Å; G198-P201 WeakPolarHBondContact O-CA 3.34Å; G198-P201 VanDerWaalsContact O-N 3.08Å; P201-F203 HydrophobicContact CB-CE2 4.38Å; P201-F203 HydrophobicContact CB-CZ 4.43Å; P201-F203 HydrophobicContact CG-CE2 3.91Å; P201-F203 HydrophobicContact CG-CZ 3.98Å
202	I	76.2	Confident	75.9	Confident	121 Å²	121	76.7 Å²	76.7	62%	0.621	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-84.4	144.5	169.3	-60.8	174.5	0	0	0	107.6	A194 A195	A194-I202 WeakPolarHBondContact CA-O 3.44Å; A195-I202 HydrophobicContact CB-CG2 4.49Å; A195-I202 PolarHBondContact N-O 2.8Å
203	F	81.9	Confident	76	Confident	54 Å²	54	79 Å²	79	24%	0.237	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.6	177.3	-67	-86.2	0	0	0	111.6	P116 P118 V120 R193 A194 P201	P116-F203 WeakPolarHBondContact O-CE2 3.21Å; P116-F203 VanDerWaalsContact O-CZ 3.24Å; P116-F203 WeakPolarHBondContact O-CZ 3.01Å; P118-F203 HydrophobicContact CB-CB 4.27Å; P118-F203 HydrophobicContact CB-CD1 3.67Å; P118-F203 HydrophobicContact CB-CD2 4.24Å; P118-F203 HydrophobicContact CB-CE1 3.97Å; P118-F203 HydrophobicContact CB-CE2 4.49Å; P118-F203 HydrophobicContact CB-CG 3.8Å; P118-F203 HydrophobicContact CB-CZ 4.36Å; V120-F203 HydrophobicContact CG2-CB 3.66Å; V120-F203 WeakPolarHBondContact CG2-O 3.3Å; R193-F203 VanDerWaalsContact O-CA 3.32Å; R193-F203 WeakPolarHBondContact O-CA 3.21Å; A194-F203 HydrophobicContact CB-CD1 4.28Å; A194-F203 HydrophobicContact CB-CE1 4.07Å; P201-F203 HydrophobicContact CB-CE2 4.38Å; P201-F203 HydrophobicContact CB-CZ 4.43Å; P201-F203 HydrophobicContact CG-CE2 3.91Å; P201-F203 HydrophobicContact CG-CZ 3.98Å
204	E	83.6	Confident	76.3	Confident	89 Å²	89	74.5 Å²	74.5	42%	0.416	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	161.6	174.4	-77.8	173.5	-175.3	0	0	109.9	C192 R193 A195	C192-E204 CarbonylContact C-O 3.47Å; C192-E204 VanDerWaalsContact CA-O 3.25Å; C192-E204 WeakPolarHBondContact CA-O 3.19Å; R193-E204 HydrophobicContact CG-CB 4.38Å; R193-E204 IonicContact CZ-OE2 3.55Å; R193-E204 PolarHBondContact N-O 2.75Å; R193-E204 IonicContact NE-OE2 3.93Å; R193-E204 IonicContact NH2-OE2 2.82Å; R193-E204 PolarHBondContact NH2-OE2 2.96Å; R193-E204 PolarHBondContact O-N 3.3Å; A195-E204 HydrophobicContact CB-CB 4.33Å; A195-E204 HydrophobicContact CB-CG 3.67Å
205	V	85.3	Confident	76.7	Confident	60 Å²	60	74.8 Å²	74.8	36%	0.364	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	130.1	168.9	-174.5	0	0	0	0	109.5	V120 H187 G191	V120-V205 HydrophobicContact CG1-CG2 4.23Å; H187-V205 HydrophobicContact CB-CG2 4.5Å; G191-V205 CarbonylContact O-C 3.52Å; G191-V205 WeakPolarHBondContact O-CA 3.48Å; G191-V205 WeakPolarHBondContact O-CG1 3.33Å
206	D	83.6	Confident	77.3	Confident	22 Å²	22	75.2 Å²	75.2	12%	0.118	44%	0.436	C	S	.	.			trans	-91.8	118.5	169.4	-165.9	-43.9	0	0	0	109.4	G191 R193 R208 G209	G191-D206 PolarHBondContact O-N 3.36Å; R193-D206 HydrophobicContact CB-CB 4.07Å; R193-D206 WeakPolarHBondContact CD-OD2 3.46Å; R193-D206 HydrophobicContact CG-CB 3.96Å; D206-R208 PolarHBondContact O-N 3.24Å; D206-R208 WeakPolarHBondContact OD1-CB 3.38Å; D206-R208 IonicContact OD1-CZ 3.19Å; D206-R208 PolarHBondContact OD1-N 2.97Å; D206-R208 IonicContact OD1-NE 2.78Å; D206-R208 PolarHBondContact OD1-NE 2.78Å; D206-R208 IonicContact OD1-NH2 3.03Å; D206-R208 IonicContact OD2-CZ 3.01Å; D206-R208 IonicContact OD2-NE 3.5Å; D206-R208 IonicContact OD2-NH2 3.61Å; D206-R208 PolarHBondContact OD2-NH2 2.65Å; D206-G209 PolarHBondContact O-N 2.84Å
207	P	78.8	Confident	78.2	Confident	122 Å²	122	76.2 Å²	76.2	79%	0.792	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-8.6	178	-25.5	35.6	0	0	0	115.7
208	R	79.1	Confident	79.5	Confident	197 Å²	197	73.5 Å²	73.5	74%	0.743	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-2.4	177.9	-54.5	166.1	-62.5	165.4	9.1	113.2	D206	D206-R208 PolarHBondContact O-N 3.24Å; D206-R208 WeakPolarHBondContact OD1-CB 3.38Å; D206-R208 IonicContact OD1-CZ 3.19Å; D206-R208 PolarHBondContact OD1-N 2.97Å; D206-R208 IonicContact OD1-NE 2.78Å; D206-R208 PolarHBondContact OD1-NE 2.78Å; D206-R208 IonicContact OD1-NH2 3.03Å; D206-R208 IonicContact OD2-CZ 3.01Å; D206-R208 IonicContact OD2-NE 3.5Å; D206-R208 IonicContact OD2-NH2 3.61Å; D206-R208 PolarHBondContact OD2-NH2 2.65Å
209	G	82.4	Confident	80.8	Confident	14 Å²	14	72.3 Å²	72.3	14%	0.144	39%	0.385	C	S	.	.	S	Bend	trans	-93.3	-164.5	178.9	0	0	0	0	0	113.5	H190 D206 P211 Y228	H190-G209 CarbonylContact O-C 3.58Å; H190-G209 WeakPolarHBondContact O-CA 3.47Å; D206-G209 PolarHBondContact O-N 2.84Å; G209-P211 WeakPolarHBondContact O-CD 3.19Å; G209-Y228 WeakPolarHBondContact O-CE1 3.24Å
210	C	86.4	Confident	81.9	Confident	1 Å²	1	72.9 Å²	72.9	1%	0.007	39%	0.388	C	S	.	.			trans	-60.3	121.1	175.9	-175.2	0	0	0	0	111.6	C188 H190 G191 F212 H222 Y228	C188-C210 HydrophobicContact CB-CB 4Å; H190-C210 HydrophobicContact CB-CB 4.21Å; H190-C210 PolarHBondContact O-N 3.04Å; G191-C210 VanDerWaalsContact CA-O 3.3Å; G191-C210 WeakPolarHBondContact CA-O 3.48Å; C210-F212 VanDerWaalsContact C-N 3.31Å; C210-F212 PolarHBondContact O-N 2.81Å; C210-H222 PolarHBondContact SG-NE2 2.97Å; C210-H222 VanDerWaalsContact SG-NE2 3.43Å; C210-Y228 HydrophobicContact CB-CD2 4.08Å; C210-Y228 HydrophobicContact CB-CG 4.16Å
211	P	83.4	Confident	83.2	Confident	88 Å²	88	73.6 Å²	73.6	57%	0.571	39%	0.386	S	S	*	.			trans	-79.4	-10.2	-177.9	32.5	-36.6	0	0	0	114	G209	G209-P211 WeakPolarHBondContact O-CD 3.19Å
212	F	85	Confident	84.1	Confident	120 Å²	120	73.6 Å²	73.6	53%	0.526	38%	0.383	S	S	.	.			trans	-77.7	129.8	-171.7	-67	-70.9	0	0	0	113.3	C188 C210 I214 H222	C188-F212 PolarHBondContact N-O 2.87Å; C210-F212 VanDerWaalsContact C-N 3.31Å; C210-F212 PolarHBondContact O-N 2.81Å; F212-I214 HydrophobicContact CB-CG2 4.3Å; F212-H222 AromaticContact CD2-CE1 3.87Å
213	T	87.8	Confident	84.5	Confident	67 Å²	67	68.7 Å²	68.7	41%	0.411	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	138	158.3	50.4	0	0	0	0	109.6	A122 I186 H187	A122-T213 HydrophobicContact CB-CG2 3.64Å; I186-T213 CarbonylContact O-C 3.56Å; I186-T213 VanDerWaalsContact O-CA 3.3Å; I186-T213 WeakPolarHBondContact O-CA 3.43Å; H187-T213 VanDerWaalsContact CE1-CG2 3.47Å; H187-T213 WeakPolarHBondContact CE1-CG2 3.46Å
214	I	89.8	Confident	84.4	Confident	17 Å²	17	67.9 Å²	67.9	9%	0.087	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	151	-171.9	61.5	-178.4	0	0	0	110.2	F185 I186 C188 F212 H222	F185-I214 CarbonylContact C-O 3.41Å; F185-I214 WeakPolarHBondContact CA-O 3.27Å; I186-I214 HydrophobicContact CD1-CG1 4.39Å; I186-I214 HydrophobicContact CG1-CG1 3.96Å; I186-I214 WeakPolarHBondContact CG1-O 3.39Å; I186-I214 PolarHBondContact N-O 2.82Å; I186-I214 PolarHBondContact O-N 2.92Å; C188-I214 HydrophobicContact CB-CD1 4.21Å; F212-I214 HydrophobicContact CB-CG2 4.3Å; I214-H222 HydrophobicContact CD1-CB 3.87Å; I214-H222 HydrophobicContact CG2-CB 4.13Å
215	K	88.9	Confident	84.4	Confident	69 Å²	69	66.6 Å²	66.6	30%	0.3	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	139.1	170.2	-70.9	-179.6	165.2	-167.3	0	110.3	E183 F185 S217 A218 R219	E183-K215 WeakPolarHBondContact OE1-CD 3.23Å; E183-K215 WeakPolarHBondContact OE1-CE 3.5Å; E183-K215 IonicContact OE1-NZ 3.35Å; E183-K215 PolarHBondContact OE1-NZ 2.68Å; E183-K215 WeakPolarHBondContact OE2-CE 3.2Å; E183-K215 IonicContact OE2-NZ 3.01Å; E183-K215 PolarHBondContact OE2-NZ 3.07Å; F185-K215 HydrophobicContact CD1-CG 4.33Å; F185-K215 HydrophobicContact CE1-CG 3.87Å; F185-K215 HydrophobicContact CE2-CG 4.42Å; F185-K215 HydrophobicContact CZ-CG 3.92Å; K215-S217 PolarHBondContact O-N 3.21Å; K215-A218 HydrophobicContact CB-CB 4.39Å; K215-A218 CarbonylContact O-C 3.55Å; K215-A218 PolarHBondContact O-N 3.35Å; K215-R219 PolarHBondContact O-N 3.19Å
216	L	85.9	Confident	84.4	Confident	40 Å²	40	63.9 Å²	63.9	21%	0.209	35%	0.348	C	S	.	.	S	Bend	trans	-60	-30.2	179	-178.3	58.6	0	0	0	112.5	L119 I181 G182 L184 I186 R219	L119-L216 HydrophobicContact CD1-CD1 3.98Å; I181-L216 HydrophobicContact CG2-CD2 3.78Å; G182-L216 PolarHBondContact O-N 2.91Å; G182-L216 VanDerWaalsContact O-N 3.12Å; L184-L216 PolarHBondContact O-N 2.93Å; I186-L216 HydrophobicContact CD1-CD1 3.8Å; I186-L216 HydrophobicContact CG1-CD1 4.43Å; I186-L216 HydrophobicContact CG2-CD1 4.45Å; L216-R219 VanDerWaalsContact O-CB 3.25Å; L216-R219 WeakPolarHBondContact O-CB 3.46Å; L216-R219 PolarHBondContact O-N 3.21Å
217	S	84.9	Confident	84.4	Confident	75 Å²	75	66.1 Å²	66.1	52%	0.524	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-43.6	171.1	54.2	0	0	0	0	112.9	G182 K215 R219	G182-S217 WeakPolarHBondContact O-CB 3.33Å; G182-S217 PolarHBondContact O-N 3.45Å; G182-S217 PolarHBondContact O-OG 2.69Å; G182-S217 VanDerWaalsContact O-OG 3.1Å; K215-S217 PolarHBondContact O-N 3.21Å; S217-R219 VanDerWaalsContact C-N 3.26Å; S217-R219 PolarHBondContact O-N 2.89Å
218	A	85.2	Confident	84.7	Confident	38 Å²	38	64 Å²	64	31%	0.314	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	5.8	179.9	0	0	0	0	0	113.7	K215 K220 D221 H222	K215-A218 HydrophobicContact CB-CB 4.39Å; K215-A218 CarbonylContact O-C 3.55Å; K215-A218 PolarHBondContact O-N 3.35Å; A218-K220 PolarHBondContact O-N 3.03Å; A218-D221 PolarHBondContact O-N 2.81Å; A218-H222 PolarHBondContact O-N 3.48Å; A218-H222 VanDerWaalsContact O-N 3.17Å
219	R	85.8	Confident	85	Confident	17 Å²	17	59.8 Å²	59.8	6%	0.064	32%	0.321	C	S	.	.	H	α-helix	trans	-51.4	-51.3	-174.9	-177.8	-175.9	-177.6	145	43.7	112.1	E117 P118 I186 K215 L216 S217 D221 E223	E117-R219 IonicContact OE2-CZ 2.72Å; E117-R219 IonicContact OE2-NH1 2.87Å; E117-R219 PolarHBondContact OE2-NH1 2.89Å; P118-R219 PolarHBondContact O-NH2 2.85Å; I186-R219 HydrophobicContact CD1-CB 4.29Å; I186-R219 HydrophobicContact CD1-CG 3.97Å; K215-R219 PolarHBondContact O-N 3.19Å; L216-R219 VanDerWaalsContact O-CB 3.25Å; L216-R219 WeakPolarHBondContact O-CB 3.46Å; L216-R219 PolarHBondContact O-N 3.21Å; S217-R219 VanDerWaalsContact C-N 3.26Å; S217-R219 PolarHBondContact O-N 2.89Å; R219-D221 PolarHBondContact O-N 2.84Å; R219-E223 HydrophobicContact CG-CG 4.21Å; R219-E223 IonicContact CZ-OE1 2.75Å; R219-E223 IonicContact CZ-OE2 2.63Å; R219-E223 VanDerWaalsContact NE-CD 3.26Å; R219-E223 IonicContact NE-OE1 2.77Å; R219-E223 PolarHBondContact NE-OE1 3.04Å; R219-E223 IonicContact NE-OE2 2.7Å; R219-E223 PolarHBondContact NE-OE2 3.42Å; R219-E223 VanDerWaalsContact NE-OE2 3.1Å; R219-E223 IonicContact NH2-OE1 3.22Å; R219-E223 PolarHBondContact NH2-OE1 3.4Å; R219-E223 IonicContact NH2-OE2 2.62Å; R219-E223 VanDerWaalsContact O-CB 3.28Å; R219-E223 WeakPolarHBondContact O-CB 3.38Å; R219-E223 VanDerWaalsContact O-CG 3.28Å; R219-E223 WeakPolarHBondContact O-CG 3.41Å; R219-E223 PolarHBondContact O-N 2.76Å
220	K	83.3	Confident	85	Confident	175 Å²	175	63 Å²	63	76%	0.761	34%	0.34	S	S	*	.	H	α-helix	trans	-67	-37.1	-173.5	-69.7	-172.7	176.4	-177.1	0	112.8	A218 G224	A218-K220 PolarHBondContact O-N 3.03Å; K220-G224 PolarHBondContact O-N 2.78Å
221	D	83.3	Confident	84.7	Confident	121 Å²	121	64.5 Å²	64.5	65%	0.647	35%	0.348	S	S	*	.	H	α-helix	trans	-72.8	-42.8	-177.2	-52.7	-36.5	0	0	0	110.9	A218 R219 S225	A218-D221 PolarHBondContact O-N 2.81Å; R219-D221 PolarHBondContact O-N 2.84Å; D221-S225 WeakPolarHBondContact O-CB 3.11Å; D221-S225 PolarHBondContact O-N 2.85Å; D221-S225 VanDerWaalsContact O-N 3.12Å; D221-S225 PolarHBondContact O-OG 2.78Å
222	H	85.1	Confident	84.5	Confident	39 Å²	39	69.2 Å²	69.2	18%	0.181	36%	0.355	C	S	.	.	H	α-helix	trans	-67.7	-48.7	172.8	179.1	87.1	0	0	0	111.8	C188 C210 F212 I214 A218 G224 S225 C226	C188-H222 VanDerWaalsContact SG-CD2 3.51Å; C210-H222 PolarHBondContact SG-NE2 2.97Å; C210-H222 VanDerWaalsContact SG-NE2 3.43Å; F212-H222 AromaticContact CD2-CE1 3.87Å; I214-H222 HydrophobicContact CD1-CB 3.87Å; I214-H222 HydrophobicContact CG2-CB 4.13Å; A218-H222 PolarHBondContact O-N 3.48Å; A218-H222 VanDerWaalsContact O-N 3.17Å; H222-G224 PolarHBondContact O-N 3.1Å; H222-S225 CarbonylContact O-C 3.51Å; H222-S225 PolarHBondContact O-N 2.77Å; H222-S225 PolarHBondContact O-OG 3.24Å; H222-C226 WeakPolarHBondContact O-CA 3.29Å; H222-C226 VanDerWaalsContact O-CB 3.25Å; H222-C226 WeakPolarHBondContact O-CB 3.44Å; H222-C226 PolarHBondContact O-N 3.44Å
223	E	84.6	Confident	84.2	Confident	18 Å²	18	63.7 Å²	63.7	8%	0.084	33%	0.331	C	S	.	.	H	α-helix	trans	-64.2	-30	179.3	-70.4	-178	170.8	0	0	112	R189 R219 R229	R189-E223 VanDerWaalsContact CB-OE1 3.22Å; R189-E223 WeakPolarHBondContact CB-OE1 3.4Å; R189-E223 WeakPolarHBondContact CD-OE2 3.33Å; R189-E223 VanDerWaalsContact CG-CD 3.4Å; R189-E223 HydrophobicContact CG-CG 3.9Å; R189-E223 VanDerWaalsContact CG-OE1 3.31Å; R189-E223 WeakPolarHBondContact CG-OE1 3.44Å; R189-E223 PolarHBondContact N-OE1 3.02Å; R219-E223 HydrophobicContact CG-CG 4.21Å; R219-E223 IonicContact CZ-OE1 2.75Å; R219-E223 IonicContact CZ-OE2 2.63Å; R219-E223 VanDerWaalsContact NE-CD 3.26Å; R219-E223 IonicContact NE-OE1 2.77Å; R219-E223 PolarHBondContact NE-OE1 3.04Å; R219-E223 IonicContact NE-OE2 2.7Å; R219-E223 PolarHBondContact NE-OE2 3.42Å; R219-E223 VanDerWaalsContact NE-OE2 3.1Å; R219-E223 IonicContact NH2-OE1 3.22Å; R219-E223 PolarHBondContact NH2-OE1 3.4Å; R219-E223 IonicContact NH2-OE2 2.62Å; R219-E223 VanDerWaalsContact O-CB 3.28Å; R219-E223 WeakPolarHBondContact O-CB 3.38Å; R219-E223 VanDerWaalsContact O-CG 3.28Å; R219-E223 WeakPolarHBondContact O-CG 3.41Å; R219-E223 PolarHBondContact O-N 2.76Å; E223-R229 WeakPolarHBondContact O-CD 3.38Å
224	G	81.4	Confident	83.6	Confident	36 Å²	36	64.9 Å²	64.9	37%	0.371	34%	0.34	S	S	.	.	H	α-helix	trans	-63.6	-41.4	170	0	0	0	0	0	113.2	K220 H222 R229	K220-G224 PolarHBondContact O-N 2.78Å; H222-G224 PolarHBondContact O-N 3.1Å; G224-R229 PolarHBondContact O-NH1 3.22Å
225	S	82.1	Confident	82.8	Confident	63 Å²	63	65.4 Å²	65.4	44%	0.441	34%	0.343	S	S	.	.	H	α-helix	trans	-97	-10.1	-174.4	56.9	0	0	0	0	115.6	D221 H222 K244	D221-S225 WeakPolarHBondContact O-CB 3.11Å; D221-S225 PolarHBondContact O-N 2.85Å; D221-S225 VanDerWaalsContact O-N 3.12Å; D221-S225 PolarHBondContact O-OG 2.78Å; H222-S225 CarbonylContact O-C 3.51Å; H222-S225 PolarHBondContact O-N 2.77Å; H222-S225 PolarHBondContact O-OG 3.24Å; S225-K244 WeakPolarHBondContact O-CE 3.42Å; S225-K244 PolarHBondContact O-NZ 3.04Å
226	C	85.9	Confident	82.2	Confident	3 Å²	3	63.7 Å²	63.7	2%	0.02	34%	0.337	C	S	.	.			trans	-57.8	131.9	-170.4	-176.3	0	0	0	0	114	H222 Y228 R229	H222-C226 WeakPolarHBondContact O-CA 3.29Å; H222-C226 VanDerWaalsContact O-CB 3.25Å; H222-C226 WeakPolarHBondContact O-CB 3.44Å; H222-C226 PolarHBondContact O-N 3.44Å; C226-Y228 VanDerWaalsContact C-N 3.29Å; C226-Y228 PolarHBondContact O-N 3.1Å; C226-R229 HydrophobicContact CB-CB 4.37Å; C226-R229 WeakPolarHBondContact O-CB 3.24Å; C226-R229 PolarHBondContact O-N 3.08Å
227	D	83.6	Confident	81.5	Confident	69 Å²	69	65.7 Å²	65.7	37%	0.369	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-21.6	-176.6	-56.2	-54.6	0	0	0	113.8	R229 K244 M245	D227-R229 VanDerWaalsContact C-N 3.29Å; D227-K244 PolarHBondContact O-N 3.01Å; D227-K244 IonicContact OD1-NZ 2.69Å; D227-K244 PolarHBondContact OD1-NZ 2.92Å; D227-M245 HydrophobicContact CB-CB 4.01Å; D227-M245 HydrophobicContact CB-CG 4.36Å; D227-M245 PolarHBondContact O-N 3.42Å
228	Y	85.9	Confident	81	Confident	78 Å²	78	67.1 Å²	67.1	31%	0.306	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	3.3	171.8	-65.2	-100.2	0	0	0	112.9	G209 C210 C226 P230 L243	G209-Y228 WeakPolarHBondContact O-CE1 3.24Å; C210-Y228 HydrophobicContact CB-CD2 4.08Å; C210-Y228 HydrophobicContact CB-CG 4.16Å; C226-Y228 VanDerWaalsContact C-N 3.29Å; C226-Y228 PolarHBondContact O-N 3.1Å; Y228-P230 WeakPolarHBondContact O-CD 3.45Å; Y228-L243 HydrophobicContact CD1-CD1 4.46Å
229	R	84.5	Confident	80.5	Confident	108 Å²	108	66.4 Å²	66.4	41%	0.408	36%	0.355	S	S	.	.	S	Bend	trans	-66.7	130.1	172.7	179.8	176.8	172.9	-176.6	1.2	109.9	E223 G224 C226 D227 V231 K244	E223-R229 WeakPolarHBondContact O-CD 3.38Å; G224-R229 PolarHBondContact O-NH1 3.22Å; C226-R229 HydrophobicContact CB-CB 4.37Å; C226-R229 WeakPolarHBondContact O-CB 3.24Å; C226-R229 PolarHBondContact O-N 3.08Å; D227-R229 VanDerWaalsContact C-N 3.29Å; R229-V231 PolarHBondContact O-N 2.86Å; R229-K244 PolarHBondContact O-N 3.03Å
230	P	81.6	Confident	80	Confident	82 Å²	82	69.9 Å²	69.9	53%	0.532	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	129.3	168.4	-23.1	34.7	0	0	0	111.4	Y228 L242	Y228-P230 WeakPolarHBondContact O-CD 3.45Å; P230-L242 CarbonylContact C-O 3.54Å; P230-L242 WeakPolarHBondContact CA-O 3.25Å
231	V	81.6	Confident	79.7	Confident	31 Å²	31	67.6 Å²	67.6	19%	0.188	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	156.5	175.4	-61.1	0	0	0	0	109.8	R229 L242 K244 L247	R229-V231 PolarHBondContact O-N 2.86Å; V231-L242 HydrophobicContact CG2-CB 4Å; V231-L242 PolarHBondContact N-O 2.88Å; V231-L242 PolarHBondContact O-N 3.2Å; V231-K244 HydrophobicContact CG1-CB 3.97Å; V231-L247 HydrophobicContact CG2-CB 4.32Å; V231-L247 HydrophobicContact CG2-CD1 4.39Å; V231-L247 HydrophobicContact CG2-CD2 4.31Å
232	R	79.3	Confident	79.7	Confident	187 Å²	187	63 Å²	63	71%	0.706	36%	0.358	S	S	*	.			trans	-104.1	155.3	168.4	-62.4	-169.8	-173.9	-170.8	3.7	109.1	P234	R232-P234 WeakPolarHBondContact O-CD 3.36Å
233	C	78.3	Confident	79.8	Confident	4 Å²	4	64.2 Å²	64.2	3%	0.027	37%	0.365	C	S	.	.			trans	-63.2	127.9	173.7	-173.7	0	0	0	0	110.5	N235 N236 C239 L242 H250 C254	C233-N235 PolarHBondContact O-N 2.83Å; C233-N236 CarbonylContact O-C 3.54Å; C233-C239 HydrophobicContact CB-CB 3.64Å; C233-L242 HydrophobicContact CB-CD1 4.46Å; C233-H250 WeakPolarHBondContact CB-NE2 3.44Å; C233-H250 VanDerWaalsContact SG-CD2 3.53Å; C233-H250 PolarHBondContact SG-NE2 2.95Å; C233-C254 VanDerWaalsContact SG-SG 3.61Å
234	P	74	Confident	79.7	Confident	93 Å²	93	67 Å²	67	60%	0.604	38%	0.378	S	S	*	.	S	Bend	trans	-57.9	-31.8	175.1	-26.5	34.6	0	0	0	113.8	R232	R232-P234 WeakPolarHBondContact O-CD 3.36Å
235	N	73.8	Confident	79.6	Confident	28 Å²	28	71 Å²	71	15%	0.15	39%	0.388	C	S	.	.	S	Bend	trans	-74.7	-44.7	-174.1	-66.6	-18	0	0	0	112.2	C233 C254 H256 K258	C233-N235 PolarHBondContact O-N 2.83Å; N235-C254 PolarHBondContact ND2-SG 3.25Å; N235-H256 HydrophobicContact CB-CB 4.21Å; N235-H256 WeakPolarHBondContact CB-O 3.23Å; N235-K258 VanDerWaalsContact O-CE 3.23Å; N235-K258 WeakPolarHBondContact O-CE 3.25Å; N235-K258 PolarHBondContact O-NZ 2.77Å; N235-K258 VanDerWaalsContact O-NZ 3.15Å
236	N	76.3	Confident	79.6	Confident	33 Å²	33	71.6 Å²	71.6	18%	0.176	39%	0.386	C	S	.	.			trans	-142.5	118.8	176.4	-175.4	0.2	0	0	0	112.2	C233 S238 C239 H256	C233-N236 CarbonylContact O-C 3.54Å; N236-S238 PolarHBondContact O-N 3.16Å; N236-S238 VanDerWaalsContact O-N 3.08Å; N236-S238 WeakPolarHBondContact OD1-CB 3.18Å; N236-S238 PolarHBondContact OD1-N 3.01Å; N236-C239 PolarHBondContact O-N 2.89Å; N236-C239 VanDerWaalsContact O-N 3.16Å; N236-C239 PolarHBondContact O-SG 2.87Å; N236-H256 HydrophobicContact CB-CB 3.76Å; N236-H256 PolarHBondContact ND2-CD2 2.75Å; N236-H256 PolarHBondContact ND2-NE2 3.27Å
237	P	71.4	Confident	79.3	Confident	81 Å²	81	73.1 Å²	73.1	53%	0.526	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-13.7	174.3	-25.1	35.3	0	0	0	116
238	S	74.1	Confident	79	Confident	106 Å²	106	77 Å²	77	74%	0.741	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-2.4	177.3	-59.3	0	0	0	0	114.5	N236	N236-S238 PolarHBondContact O-N 3.16Å; N236-S238 VanDerWaalsContact O-N 3.08Å; N236-S238 WeakPolarHBondContact OD1-CB 3.18Å; N236-S238 PolarHBondContact OD1-N 3.01Å
239	C	74.8	Confident	78.7	Confident	23 Å²	23	76.2 Å²	76.2	16%	0.155	42%	0.419	C	S	.	.	S	Bend	trans	-63	158.6	170.3	-68.3	0	0	0	0	111.5	C233 N236	C233-C239 HydrophobicContact CB-CB 3.64Å; N236-C239 PolarHBondContact O-N 2.89Å; N236-C239 VanDerWaalsContact O-N 3.16Å; N236-C239 PolarHBondContact O-SG 2.87Å
240	P	76	Confident	78.5	Confident	89 Å²	89	72.7 Å²	72.7	58%	0.578	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-53	152.3	176.9	-26.9	35.6	0	0	0	113.4	L242	P240-L242 PolarHBondContact O-N 3.21Å
241	P	77.4	Confident	78.2	Confident	127 Å²	127	71.5 Å²	71.5	83%	0.825	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-65	126.8	174.6	27.6	-33.8	0	0	0	110.3
242	L	83.2	Confident	77.9	Confident	26 Å²	26	77.9 Å²	77.9	14%	0.136	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	155.5	-175.9	-69.2	155.4	0	0	0	110.4	P230 V231 C233 P240 N246 L247 H250	P230-L242 CarbonylContact C-O 3.54Å; P230-L242 WeakPolarHBondContact CA-O 3.25Å; V231-L242 HydrophobicContact CG2-CB 4Å; V231-L242 PolarHBondContact N-O 2.88Å; V231-L242 PolarHBondContact O-N 3.2Å; C233-L242 HydrophobicContact CB-CD1 4.46Å; P240-L242 PolarHBondContact O-N 3.21Å; L242-N246 HydrophobicContact CD2-CB 4.39Å; L242-L247 HydrophobicContact CD1-CD1 4.31Å; L242-H250 HydrophobicContact CD1-CB 3.85Å; L242-H250 WeakPolarHBondContact CD1-CD2 3.49Å; L242-H250 HydrophobicContact CD2-CB 3.93Å
243	L	85.2	Confident	77.6	Confident	63 Å²	63	76.6 Å²	76.6	33%	0.33	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	149.1	160	-57.6	-175.4	0	0	0	108.7	Y228 M245 N246 L247	Y228-L243 HydrophobicContact CD1-CD1 4.46Å; L243-M245 PolarHBondContact O-N 3.37Å; L243-M245 VanDerWaalsContact O-N 3.16Å; L243-N246 PolarHBondContact O-N 2.96Å; L243-L247 PolarHBondContact O-N 3.17Å
244	K	83.2	Confident	77.5	Confident	78 Å²	78	76.6 Å²	76.6	34%	0.339	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-51.7	-39.3	179.7	173.3	178.2	169.8	-99	0	112.3	S225 D227 R229 V231 N246 L247	S225-K244 WeakPolarHBondContact O-CE 3.42Å; S225-K244 PolarHBondContact O-NZ 3.04Å; D227-K244 PolarHBondContact O-N 3.01Å; D227-K244 IonicContact OD1-NZ 2.69Å; D227-K244 PolarHBondContact OD1-NZ 2.92Å; R229-K244 PolarHBondContact O-N 3.03Å; V231-K244 HydrophobicContact CG1-CB 3.97Å; K244-N246 PolarHBondContact O-N 2.74Å; K244-L247 WeakPolarHBondContact O-CB 3.45Å; K244-L247 PolarHBondContact O-N 2.93Å
245	M	80.2	Confident	77.6	Confident	120 Å²	120	79 Å²	79	59%	0.591	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-56.5	-30.5	176.2	-155.7	174.9	70	0	0	114.1	D227 L243	D227-M245 HydrophobicContact CB-CB 4.01Å; D227-M245 HydrophobicContact CB-CG 4.36Å; D227-M245 PolarHBondContact O-N 3.42Å; L243-M245 PolarHBondContact O-N 3.37Å; L243-M245 VanDerWaalsContact O-N 3.16Å
246	N	82	Confident	77.9	Confident	74 Å²	74	80.8 Å²	80.8	40%	0.396	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-96.2	-1.7	-174.9	-60.4	-7.2	0	0	0	112.6	L242 L243 K244 A249 H250	L242-N246 HydrophobicContact CD2-CB 4.39Å; L243-N246 PolarHBondContact O-N 2.96Å; K244-N246 PolarHBondContact O-N 2.74Å; N246-A249 PolarHBondContact O-N 3.24Å; N246-H250 PolarHBondContact O-N 3.24Å
247	L	79	Confident	78	Confident	35 Å²	35	79.9 Å²	79.9	18%	0.183	43%	0.429	C	S	.	.	H	α-helix	trans	-67.5	-41.2	-172.7	-178.5	60.8	0	0	0	112.6	V231 L242 L243 K244 A249 H250 L251	V231-L247 HydrophobicContact CG2-CB 4.32Å; V231-L247 HydrophobicContact CG2-CD1 4.39Å; V231-L247 HydrophobicContact CG2-CD2 4.31Å; L242-L247 HydrophobicContact CD1-CD1 4.31Å; L243-L247 PolarHBondContact O-N 3.17Å; K244-L247 WeakPolarHBondContact O-CB 3.45Å; K244-L247 PolarHBondContact O-N 2.93Å; L247-A249 VanDerWaalsContact C-N 3.31Å; L247-A249 PolarHBondContact O-N 3Å; L247-H250 PolarHBondContact O-N 2.91Å; L247-L251 HydrophobicContact CD1-CD1 4.27Å; L247-L251 HydrophobicContact CD1-CG 4.13Å; L247-L251 HydrophobicContact CG-CD1 3.96Å; L247-L251 HydrophobicContact CG-CG 4.3Å; L247-L251 WeakPolarHBondContact O-CB 3.39Å; L247-L251 WeakPolarHBondContact O-CG 3.49Å; L247-L251 PolarHBondContact O-N 3.03Å
248	E	77.8	Confident	78.4	Confident	152 Å²	152	80.2 Å²	80.2	71%	0.71	42%	0.422	S	S	*	.	H	α-helix	trans	-67	-30.8	-179.4	-66	-172.9	-177.7	0	0	113.4
249	A	79	Confident	78.7	Confident	60 Å²	60	75.2 Å²	75.2	50%	0.496	39%	0.387	S	S	.	.	H	α-helix	trans	-69.2	-51.6	172	0	0	0	0	0	110.2	N246 L247 L251 K252	N246-A249 PolarHBondContact O-N 3.24Å; L247-A249 VanDerWaalsContact C-N 3.31Å; L247-A249 PolarHBondContact O-N 3Å; A249-L251 VanDerWaalsContact C-N 3.3Å; A249-L251 PolarHBondContact O-N 2.95Å; A249-K252 PolarHBondContact O-N 2.84Å
250	H	80.4	Confident	78.7	Confident	34 Å²	34	77.2 Å²	77.2	16%	0.157	40%	0.399	C	S	.	.	H	α-helix	trans	-59.5	-37	179.3	176.5	66.2	0	0	0	113.5	C233 L242 N246 L247 K252 E253 C254	C233-H250 WeakPolarHBondContact CB-NE2 3.44Å; C233-H250 VanDerWaalsContact SG-CD2 3.53Å; C233-H250 PolarHBondContact SG-NE2 2.95Å; L242-H250 HydrophobicContact CD1-CB 3.85Å; L242-H250 WeakPolarHBondContact CD1-CD2 3.49Å; L242-H250 HydrophobicContact CD2-CB 3.93Å; N246-H250 PolarHBondContact O-N 3.24Å; L247-H250 PolarHBondContact O-N 2.91Å; H250-K252 VanDerWaalsContact C-N 3.25Å; H250-K252 PolarHBondContact O-N 3.16Å; H250-E253 CarbonylContact O-C 3.54Å; H250-E253 PolarHBondContact O-N 2.89Å; H250-E253 VanDerWaalsContact O-N 3.15Å; H250-C254 WeakPolarHBondContact O-CB 3.4Å; H250-C254 PolarHBondContact O-N 3.14Å; H250-C254 VanDerWaalsContact O-N 3.11Å
251	L	75.4	Confident	78.8	Confident	57 Å²	57	73.5 Å²	73.5	30%	0.298	37%	0.374	S	S	.	.	H	α-helix	trans	-62.3	-30.7	180	-79.8	171.5	0	0	0	113.2	L247 A249 E253	L247-L251 HydrophobicContact CD1-CD1 4.27Å; L247-L251 HydrophobicContact CD1-CG 4.13Å; L247-L251 HydrophobicContact CG-CD1 3.96Å; L247-L251 HydrophobicContact CG-CG 4.3Å; L247-L251 WeakPolarHBondContact O-CB 3.39Å; L247-L251 WeakPolarHBondContact O-CG 3.49Å; L247-L251 PolarHBondContact O-N 3.03Å; A249-L251 VanDerWaalsContact C-N 3.3Å; A249-L251 PolarHBondContact O-N 2.95Å; L251-E253 VanDerWaalsContact C-N 3.35Å
252	K	74.9	Confident	78.7	Confident	166 Å²	166	69.9 Å²	69.9	72%	0.722	35%	0.352	S	S	*	.	H	α-helix	trans	-74.1	-26.3	176.7	-65.7	172.1	-175.5	175.6	0	113	A249 H250	A249-K252 PolarHBondContact O-N 2.84Å; H250-K252 VanDerWaalsContact C-N 3.25Å; H250-K252 PolarHBondContact O-N 3.16Å
253	E	73.1	Confident	78.3	Confident	160 Å²	160	74.6 Å²	74.6	75%	0.748	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	9.3	-179.3	-62.6	175.6	177.6	0	0	112.1	H250 L251 E255	H250-E253 CarbonylContact O-C 3.54Å; H250-E253 PolarHBondContact O-N 2.89Å; H250-E253 VanDerWaalsContact O-N 3.15Å; L251-E253 VanDerWaalsContact C-N 3.35Å; E253-E255 PolarHBondContact O-N 3.24Å
254	C	76.9	Confident	77.7	Confident	4 Å²	4	74.6 Å²	74.6	3%	0.027	37%	0.368	C	S	.	.			trans	-84.2	114	-171.8	-168	0	0	0	0	112.1	C233 N235 H250 H256 I257	C233-C254 VanDerWaalsContact SG-SG 3.61Å; N235-C254 PolarHBondContact ND2-SG 3.25Å; H250-C254 WeakPolarHBondContact O-CB 3.4Å; H250-C254 PolarHBondContact O-N 3.14Å; H250-C254 VanDerWaalsContact O-N 3.11Å; C254-H256 PolarHBondContact O-N 2.71Å; C254-H256 VanDerWaalsContact O-N 3.11Å; C254-I257 VanDerWaalsContact O-CG1 3.29Å; C254-I257 WeakPolarHBondContact O-CG1 3.46Å
255	E	75.9	Confident	77.3	Confident	143 Å²	143	73.4 Å²	73.4	67%	0.668	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	7	178.5	-56.2	-178.9	134.5	0	0	115	E253 G270	E253-E255 PolarHBondContact O-N 3.24Å; E255-G270 CarbonylContact C-O 3.56Å; E255-G270 CarbonylContact O-C 3.59Å; E255-G270 VanDerWaalsContact O-C 3.29Å
256	H	79.1	Confident	77.3	Confident	66 Å²	66	68.5 Å²	68.5	31%	0.306	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.3	17.7	-167.8	-68.5	74.5	0	0	0	114.3	N235 N236 C254 K258 I269 G270	N235-H256 HydrophobicContact CB-CB 4.21Å; N235-H256 WeakPolarHBondContact CB-O 3.23Å; N236-H256 HydrophobicContact CB-CB 3.76Å; N236-H256 PolarHBondContact ND2-CD2 2.75Å; N236-H256 PolarHBondContact ND2-NE2 3.27Å; C254-H256 PolarHBondContact O-N 2.71Å; C254-H256 VanDerWaalsContact O-N 3.11Å; H256-K258 PolarHBondContact O-N 3.29Å; H256-I269 HydrophobicContact CB-CG2 4.29Å; H256-G270 CarbonylContact C-O 3.59Å; H256-G270 PolarHBondContact N-O 2.62Å
257	I	78.9	Confident	77.3	Confident	14 Å²	14	71.6 Å²	71.6	7%	0.072	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	128.2	-180	-43.2	-173.7	0	0	0	109.7	C254 I269 G270 Q272 Y275	C254-I257 VanDerWaalsContact O-CG1 3.29Å; C254-I257 WeakPolarHBondContact O-CG1 3.46Å; I257-I269 CarbonylContact O-C 3.5Å; I257-I269 WeakPolarHBondContact O-CA 3.43Å; I257-G270 WeakPolarHBondContact CA-O 3.27Å; I257-G270 WeakPolarHBondContact CB-O 3.44Å; I257-G270 PolarHBondContact N-O 3.12Å; I257-G270 PolarHBondContact O-N 3.03Å; I257-Q272 HydrophobicContact CD1-CB 4.18Å; I257-Q272 VanDerWaalsContact CD1-OE1 3.23Å; I257-Y275 HydrophobicContact CB-CD2 4.19Å; I257-Y275 HydrophobicContact CB-CG 4.46Å; I257-Y275 HydrophobicContact CG2-CD2 3.49Å; I257-Y275 VanDerWaalsContact CG2-CD2 3.49Å; I257-Y275 HydrophobicContact CG2-CE2 3.74Å; I257-Y275 HydrophobicContact CG2-CG 3.92Å
258	K	80.3	Confident	77.4	Confident	88 Å²	88	72 Å²	72	38%	0.383	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	146.3	-179.5	-57.8	-177	179.9	158.4	0	110.1	N235 H256 F268 I269 Y275	N235-K258 VanDerWaalsContact O-CE 3.23Å; N235-K258 WeakPolarHBondContact O-CE 3.25Å; N235-K258 PolarHBondContact O-NZ 2.77Å; N235-K258 VanDerWaalsContact O-NZ 3.15Å; H256-K258 PolarHBondContact O-N 3.29Å; K258-F268 WeakPolarHBondContact CA-O 3.03Å; K258-I269 HydrophobicContact CG-CG1 4.25Å; K258-Y275 WeakPolarHBondContact O-CE2 3.37Å
259	C	79.4	Confident	77.6	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-54.6	139.5	171.6	-175.7	0	0	0	0	110.7	H261 S262 C266 F268 H278 C282	C259-H261 PolarHBondContact O-N 2.71Å; C259-H261 VanDerWaalsContact O-N 3.14Å; C259-S262 WeakPolarHBondContact O-CB 3.46Å; C259-S262 PolarHBondContact O-N 3.05Å; C259-S262 PolarHBondContact O-OG 3.3Å; C259-C266 HydrophobicContact CB-CB 4.04Å; C259-F268 HydrophobicContact CB-CB 4.16Å; C259-F268 HydrophobicContact CB-CD1 4.45Å; C259-F268 PolarHBondContact N-O 3.46Å; C259-H278 WeakPolarHBondContact CB-NE2 3.49Å; C259-H278 PolarHBondContact SG-NE2 2.61Å; C259-H278 VanDerWaalsContact SG-NE2 3.39Å; C259-C282 VanDerWaalsContact SG-SG 3.62Å
260	P	74.6	Confident	77.7	Confident	65 Å²	65	67 Å²	67	42%	0.422	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-59.5	-27	177	-24	35.9	0	0	0	112.7	S262 Y275 L279	P260-S262 PolarHBondContact O-N 3.13Å; P260-Y275 HydrophobicContact CG-CE2 4.5Å; P260-Y275 VanDerWaalsContact CG-OH 3.32Å; P260-Y275 WeakPolarHBondContact CG-OH 3.32Å; P260-L279 HydrophobicContact CG-CD2 4.44Å
261	H	78.3	Confident	77.7	Confident	12 Å²	12	68.2 Å²	68.2	6%	0.056	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-81.5	8.9	175.9	-54.3	-62.2	0	0	0	113.9	C259 K263 Y264 G265 C266 F284 E285	C259-H261 PolarHBondContact O-N 2.71Å; C259-H261 VanDerWaalsContact O-N 3.14Å; H261-K263 PolarHBondContact O-N 3.44Å; H261-Y264 HydrophobicContact CB-CD2 4.23Å; H261-Y264 AromaticContact ND1-CD2 3.9Å; H261-Y264 CarbonylContact O-C 3.51Å; H261-Y264 WeakPolarHBondContact O-CA 3.08Å; H261-Y264 PolarHBondContact O-N 3.01Å; H261-G265 PolarHBondContact O-N 3.33Å; H261-C266 HydrophobicContact CB-CB 4.15Å; H261-C266 WeakPolarHBondContact O-CB 3.49Å; H261-C266 PolarHBondContact O-N 3.02Å; H261-F284 HydrophobicContact CB-CB 3.43Å; H261-F284 VanDerWaalsContact CB-CB 3.43Å; H261-F284 HydrophobicContact CB-CD2 4.1Å; H261-F284 HydrophobicContact CB-CG 3.84Å; H261-E285 IonicContact CD2-OE2 2.68Å; H261-E285 IonicContact CE1-OE2 3.3Å; H261-E285 IonicContact NE2-OE2 3.22Å; H261-E285 PolarHBondContact NE2-OE2 3.29Å
262	S	76.8	Confident	77.8	Confident	51 Å²	51	69 Å²	69	36%	0.357	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-61.5	-30.9	174.9	53.3	0	0	0	0	112.7	C259 P260 Y264 G265 C266	C259-S262 WeakPolarHBondContact O-CB 3.46Å; C259-S262 PolarHBondContact O-N 3.05Å; C259-S262 PolarHBondContact O-OG 3.3Å; P260-S262 PolarHBondContact O-N 3.13Å; S262-Y264 PolarHBondContact O-N 3.33Å; S262-G265 PolarHBondContact O-N 2.64Å; S262-C266 VanDerWaalsContact CA-O 3.26Å; S262-C266 WeakPolarHBondContact CA-O 3.36Å; S262-C266 VanDerWaalsContact CB-O 3.28Å; S262-C266 WeakPolarHBondContact CB-O 3.33Å
263	K	74	Confident	77.8	Confident	125 Å²	125	66.5 Å²	66.5	54%	0.543	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-59.1	-21.3	168.4	57.2	169.6	170	168.1	0	114.4	H261 D295	H261-K263 PolarHBondContact O-N 3.44Å; K263-D295 IonicContact NZ-OD2 3.93Å; K263-D295 PolarHBondContact NZ-OD2 3.19Å
264	Y	72.9	Confident	78.2	Confident	63 Å²	63	61.9 Å²	61.9	25%	0.247	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-104.9	7.5	177.3	-50.6	-54.4	0	0	0	113.1	H261 S262 F284 L291 D295	H261-Y264 HydrophobicContact CB-CD2 4.23Å; H261-Y264 AromaticContact ND1-CD2 3.9Å; H261-Y264 CarbonylContact O-C 3.51Å; H261-Y264 WeakPolarHBondContact O-CA 3.08Å; H261-Y264 PolarHBondContact O-N 3.01Å; S262-Y264 PolarHBondContact O-N 3.33Å; Y264-F284 VanDerWaalsContact O-CE1 3.25Å; Y264-F284 WeakPolarHBondContact O-CE1 3.49Å; Y264-F284 VanDerWaalsContact O-CZ 3.26Å; Y264-F284 WeakPolarHBondContact O-CZ 3.19Å; Y264-L291 HydrophobicContact CD1-CD2 4.12Å; Y264-L291 HydrophobicContact CD2-CD1 3.72Å; Y264-L291 HydrophobicContact CD2-CD2 4.29Å; Y264-L291 HydrophobicContact CD2-CG 4.39Å; Y264-L291 HydrophobicContact CE1-CD2 4.05Å; Y264-L291 HydrophobicContact CE2-CB 3.81Å; Y264-L291 HydrophobicContact CE2-CD1 3.87Å; Y264-L291 HydrophobicContact CE2-CD2 4.2Å; Y264-L291 HydrophobicContact CE2-CG 4.17Å; Y264-L291 HydrophobicContact CG-CD1 4.27Å; Y264-L291 HydrophobicContact CG-CD2 4.24Å; Y264-D295 PolarHBondContact OH-OD1 2.86Å; Y264-D295 PolarHBondContact OH-OD2 2.96Å; Y264-D295 VanDerWaalsContact OH-OD2 3.06Å
265	G	74.7	Confident	78.3	Confident	53 Å²	53	63.7 Å²	63.7	55%	0.546	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	105.3	9.7	175.7	0	0	0	0	0	115.9	H261 S262 T267	H261-G265 PolarHBondContact O-N 3.33Å; S262-G265 PolarHBondContact O-N 2.64Å; G265-T267 PolarHBondContact O-N 3.21Å
266	C	79.8	Confident	78.4	Confident	17 Å²	17	61.9 Å²	61.9	12%	0.115	33%	0.333	C	S	.	.			trans	-70.9	123.1	169.9	-167.6	0	0	0	0	111.6	C259 H261 S262 H278 F284	C259-C266 HydrophobicContact CB-CB 4.04Å; H261-C266 HydrophobicContact CB-CB 4.15Å; H261-C266 WeakPolarHBondContact O-CB 3.49Å; H261-C266 PolarHBondContact O-N 3.02Å; S262-C266 VanDerWaalsContact CA-O 3.26Å; S262-C266 WeakPolarHBondContact CA-O 3.36Å; S262-C266 VanDerWaalsContact CB-O 3.28Å; S262-C266 WeakPolarHBondContact CB-O 3.33Å; C266-H278 PolarHBondContact SG-NE2 3.09Å; C266-H278 VanDerWaalsContact SG-NE2 3.42Å; C266-F284 HydrophobicContact CB-CD2 3.86Å; C266-F284 HydrophobicContact CB-CE2 3.89Å
267	T	81.1	Confident	78.5	Confident	138 Å²	138	62.9 Å²	62.9	85%	0.847	34%	0.344	S	S	*	.			trans	-92.1	7	-175.4	56.2	0	0	0	0	114.5	G265	G265-T267 PolarHBondContact O-N 3.21Å
268	F	82.4	Confident	78.7	Confident	43 Å²	43	63.7 Å²	63.7	19%	0.189	35%	0.347	C	S	.	.			trans	-68.7	135.3	-177.5	176.3	-87.8	0	0	0	112.7	K258 C259 T274 Y275 H278	K258-F268 WeakPolarHBondContact CA-O 3.03Å; C259-F268 HydrophobicContact CB-CB 4.16Å; C259-F268 HydrophobicContact CB-CD1 4.45Å; C259-F268 PolarHBondContact N-O 3.46Å; F268-T274 VanDerWaalsContact CZ-O 3.28Å; F268-T274 WeakPolarHBondContact CZ-O 3.43Å; F268-Y275 HydrophobicContact CE1-CD2 4.23Å; F268-H278 WeakPolarHBondContact CB-NE2 3.38Å; F268-H278 HydrophobicContact CD1-CB 4.24Å; F268-H278 AromaticContact CD1-CD2 3.51Å; F268-H278 AromaticContact CD1-CG 3.88Å; F268-H278 HydrophobicContact CD2-CB 3.74Å; F268-H278 AromaticContact CD2-CD2 3.87Å; F268-H278 AromaticContact CD2-CG 3.45Å; F268-H278 VanDerWaalsContact CD2-CG 3.45Å; F268-H278 AromaticContact CD2-ND1 3.78Å; F268-H278 HydrophobicContact CE1-CB 4.19Å; F268-H278 HydrophobicContact CE2-CB 3.65Å; F268-H278 AromaticContact CE2-CG 3.92Å; F268-H278 HydrophobicContact CG-CB 4.05Å; F268-H278 AromaticContact CG-CD2 3.32Å; F268-H278 WeakPolarHBondContact CG-CD2 3.34Å; F268-H278 AromaticContact CG-CG 3.43Å; F268-H278 VanDerWaalsContact CG-CG 3.43Å; F268-H278 AromaticContact CG-ND1 3.9Å; F268-H278 AromaticContact CG-NE2 3.75Å; F268-H278 HydrophobicContact CZ-CB 3.9Å
269	I	80.7	Confident	78.6	Confident	97 Å²	97	61.4 Å²	61.4	50%	0.497	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	132.2	172	-48.8	-174.3	0	0	0	107.4	H256 I257 K258	H256-I269 HydrophobicContact CB-CG2 4.29Å; I257-I269 CarbonylContact O-C 3.5Å; I257-I269 WeakPolarHBondContact O-CA 3.43Å; K258-I269 HydrophobicContact CG-CG1 4.25Å
270	G	81.8	Confident	78.5	Confident	10 Å²	10	69.7 Å²	69.7	10%	0.103	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	-170.5	178	0	0	0	0	0	114.4	E255 H256 I257	E255-G270 CarbonylContact C-O 3.56Å; E255-G270 CarbonylContact O-C 3.59Å; E255-G270 VanDerWaalsContact O-C 3.29Å; H256-G270 CarbonylContact C-O 3.59Å; H256-G270 PolarHBondContact N-O 2.62Å; I257-G270 WeakPolarHBondContact CA-O 3.27Å; I257-G270 WeakPolarHBondContact CB-O 3.44Å; I257-G270 PolarHBondContact N-O 3.12Å; I257-G270 PolarHBondContact O-N 3.03Å
271	N	81.4	Confident	78.8	Confident	61 Å²	61	71.9 Å²	71.9	33%	0.326	39%	0.39	S	S	.	.			trans	-85.7	178.6	171.1	72.5	-3.4	0	0	0	111.4	D273 T274 Y275	N271-D273 PolarHBondContact O-N 3.41Å; N271-T274 PolarHBondContact N-OG1 2.77Å; N271-T274 VanDerWaalsContact N-OG1 3.07Å; N271-T274 PolarHBondContact O-N 2.87Å; N271-T274 PolarHBondContact O-OG1 2.99Å; N271-T274 WeakPolarHBondContact OD1-CB 3.37Å; N271-T274 WeakPolarHBondContact OD1-CG2 3.42Å; N271-T274 PolarHBondContact OD1-N 2.86Å; N271-T274 PolarHBondContact OD1-OG1 3.09Å; N271-Y275 WeakPolarHBondContact O-CB 3.48Å; N271-Y275 PolarHBondContact O-N 2.89Å
272	Q	76.5	Confident	78.8	Confident	72 Å²	72	71.8 Å²	71.8	34%	0.336	39%	0.391	S	S	.	.	H	α-helix	trans	-56	-49	-176.8	-171.2	65.3	26.7	0	0	113.4	I257 T274 Y275 E276	I257-Q272 HydrophobicContact CD1-CB 4.18Å; I257-Q272 VanDerWaalsContact CD1-OE1 3.23Å; Q272-T274 PolarHBondContact O-N 2.9Å; Q272-Y275 WeakPolarHBondContact O-CB 3.49Å; Q272-Y275 PolarHBondContact O-N 2.89Å; Q272-E276 PolarHBondContact NE2-OE1 2.88Å; Q272-E276 PolarHBondContact O-N 2.89Å
273	D	75.8	Confident	78.8	Confident	115 Å²	115	80 Å²	80	62%	0.615	41%	0.414	S	S	*	.	H	α-helix	trans	-65.8	-39.5	-176.2	-46.4	-31.9	0	0	0	112.5	N271 T277	N271-D273 PolarHBondContact O-N 3.41Å; D273-T277 PolarHBondContact O-N 2.86Å; D273-T277 PolarHBondContact O-OG1 2.75Å
274	T	80.5	Confident	78.9	Confident	62 Å²	62	76.3 Å²	76.3	38%	0.38	40%	0.398	S	S	.	.	H	α-helix	trans	-74.9	-26.6	175.6	55.4	0	0	0	0	112.4	F268 N271 Q272 T277 H278	F268-T274 VanDerWaalsContact CZ-O 3.28Å; F268-T274 WeakPolarHBondContact CZ-O 3.43Å; N271-T274 PolarHBondContact N-OG1 2.77Å; N271-T274 VanDerWaalsContact N-OG1 3.07Å; N271-T274 PolarHBondContact O-N 2.87Å; N271-T274 PolarHBondContact O-OG1 2.99Å; N271-T274 WeakPolarHBondContact OD1-CB 3.37Å; N271-T274 WeakPolarHBondContact OD1-CG2 3.42Å; N271-T274 PolarHBondContact OD1-N 2.86Å; N271-T274 PolarHBondContact OD1-OG1 3.09Å; Q272-T274 PolarHBondContact O-N 2.9Å; T274-T277 WeakPolarHBondContact CA-OG1 3.43Å; T274-T277 PolarHBondContact O-OG1 3.33Å; T274-H278 WeakPolarHBondContact O-CB 3.46Å; T274-H278 PolarHBondContact O-N 2.86Å
275	Y	79.8	Confident	79.1	Confident	42 Å²	42	76.2 Å²	76.2	17%	0.165	40%	0.4	C	S	.	.	H	α-helix	trans	-70.1	-44.7	173.9	167.5	-89.4	0	0	0	111.7	I257 K258 P260 F268 N271 Q272 H278 L279	I257-Y275 HydrophobicContact CB-CD2 4.19Å; I257-Y275 HydrophobicContact CB-CG 4.46Å; I257-Y275 HydrophobicContact CG2-CD2 3.49Å; I257-Y275 VanDerWaalsContact CG2-CD2 3.49Å; I257-Y275 HydrophobicContact CG2-CE2 3.74Å; I257-Y275 HydrophobicContact CG2-CG 3.92Å; K258-Y275 WeakPolarHBondContact O-CE2 3.37Å; P260-Y275 HydrophobicContact CG-CE2 4.5Å; P260-Y275 VanDerWaalsContact CG-OH 3.32Å; P260-Y275 WeakPolarHBondContact CG-OH 3.32Å; F268-Y275 HydrophobicContact CE1-CD2 4.23Å; N271-Y275 WeakPolarHBondContact O-CB 3.48Å; N271-Y275 PolarHBondContact O-N 2.89Å; Q272-Y275 WeakPolarHBondContact O-CB 3.49Å; Q272-Y275 PolarHBondContact O-N 2.89Å; Y275-H278 WeakPolarHBondContact O-CB 3.47Å; Y275-H278 PolarHBondContact O-N 2.9Å; Y275-L279 HydrophobicContact CD1-CD1 4.28Å; Y275-L279 HydrophobicContact CE1-CD1 3.61Å; Y275-L279 HydrophobicContact CE1-CG 4.24Å; Y275-L279 PolarHBondContact O-N 2.96Å
276	E	78.4	Confident	78.9	Confident	105 Å²	105	77.3 Å²	77.3	49%	0.491	41%	0.412	S	S	.	.	H	α-helix	trans	-63.7	-46.9	179.2	-72.3	178.8	-166.9	0	0	111.4	Q272 H278 L279	Q272-E276 PolarHBondContact NE2-OE1 2.88Å; Q272-E276 PolarHBondContact O-N 2.89Å; E276-H278 VanDerWaalsContact C-N 3.28Å; E276-H278 PolarHBondContact O-N 3.27Å; E276-L279 PolarHBondContact O-N 2.85Å
277	T	80.6	Confident	78.8	Confident	87 Å²	87	80.9 Å²	80.9	53%	0.534	43%	0.429	S	S	.	.	H	α-helix	trans	-66.5	-26.3	174.7	49.1	0	0	0	0	113.6	D273 T274 T281	D273-T277 PolarHBondContact O-N 2.86Å; D273-T277 PolarHBondContact O-OG1 2.75Å; T274-T277 WeakPolarHBondContact CA-OG1 3.43Å; T274-T277 PolarHBondContact O-OG1 3.33Å; T277-T281 PolarHBondContact O-OG1 3.11Å
278	H	82.6	Confident	78.7	Confident	31 Å²	31	79.2 Å²	79.2	14%	0.144	41%	0.41	C	S	.	.	H	α-helix	trans	-71.1	-37.2	171.2	169.9	59.7	0	0	0	113	C259 C266 F268 T274 Y275 E276 E280 T281 C282	C259-H278 WeakPolarHBondContact CB-NE2 3.49Å; C259-H278 PolarHBondContact SG-NE2 2.61Å; C259-H278 VanDerWaalsContact SG-NE2 3.39Å; C266-H278 PolarHBondContact SG-NE2 3.09Å; C266-H278 VanDerWaalsContact SG-NE2 3.42Å; F268-H278 WeakPolarHBondContact CB-NE2 3.38Å; F268-H278 HydrophobicContact CD1-CB 4.24Å; F268-H278 AromaticContact CD1-CD2 3.51Å; F268-H278 AromaticContact CD1-CG 3.88Å; F268-H278 HydrophobicContact CD2-CB 3.74Å; F268-H278 AromaticContact CD2-CD2 3.87Å; F268-H278 AromaticContact CD2-CG 3.45Å; F268-H278 VanDerWaalsContact CD2-CG 3.45Å; F268-H278 AromaticContact CD2-ND1 3.78Å; F268-H278 HydrophobicContact CE1-CB 4.19Å; F268-H278 HydrophobicContact CE2-CB 3.65Å; F268-H278 AromaticContact CE2-CG 3.92Å; F268-H278 HydrophobicContact CG-CB 4.05Å; F268-H278 AromaticContact CG-CD2 3.32Å; F268-H278 WeakPolarHBondContact CG-CD2 3.34Å; F268-H278 AromaticContact CG-CG 3.43Å; F268-H278 VanDerWaalsContact CG-CG 3.43Å; F268-H278 AromaticContact CG-ND1 3.9Å; F268-H278 AromaticContact CG-NE2 3.75Å; F268-H278 HydrophobicContact CZ-CB 3.9Å; T274-H278 WeakPolarHBondContact O-CB 3.46Å; T274-H278 PolarHBondContact O-N 2.86Å; Y275-H278 WeakPolarHBondContact O-CB 3.47Å; Y275-H278 PolarHBondContact O-N 2.9Å; E276-H278 VanDerWaalsContact C-N 3.28Å; E276-H278 PolarHBondContact O-N 3.27Å; H278-E280 VanDerWaalsContact C-N 3.32Å; H278-E280 PolarHBondContact O-N 3.43Å; H278-T281 CarbonylContact O-C 3.56Å; H278-T281 PolarHBondContact O-N 2.88Å; H278-T281 VanDerWaalsContact O-N 3.11Å; H278-T281 PolarHBondContact O-OG1 3.15Å; H278-C282 WeakPolarHBondContact O-CB 3.15Å; H278-C282 PolarHBondContact O-N 3.2Å
279	L	77.9	Confident	78.5	Confident	41 Å²	41	85.3 Å²	85.3	22%	0.215	44%	0.439	C	S	.	.	H	α-helix	trans	-59.4	-42.6	-179.4	-73.6	177.5	0	0	0	112.1	P260 Y275 E276 T281 C282	P260-L279 HydrophobicContact CG-CD2 4.44Å; Y275-L279 HydrophobicContact CD1-CD1 4.28Å; Y275-L279 HydrophobicContact CE1-CD1 3.61Å; Y275-L279 HydrophobicContact CE1-CG 4.24Å; Y275-L279 PolarHBondContact O-N 2.96Å; E276-L279 PolarHBondContact O-N 2.85Å; L279-T281 PolarHBondContact O-N 2.83Å; L279-T281 VanDerWaalsContact O-N 3.14Å; L279-C282 PolarHBondContact O-N 3.22Å
280	E	79	Confident	78.6	Confident	174 Å²	174	86.9 Å²	86.9	81%	0.813	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-23.9	178	-60.2	-170.7	148.4	0	0	113.7	H278	H278-E280 VanDerWaalsContact C-N 3.32Å; H278-E280 PolarHBondContact O-N 3.43Å
281	T	79.1	Confident	78.5	Confident	111 Å²	111	87.8 Å²	87.8	68%	0.681	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.2	2.6	-176.8	55.9	0	0	0	0	113.5	T277 H278 L279 R283	T277-T281 PolarHBondContact O-OG1 3.11Å; H278-T281 CarbonylContact O-C 3.56Å; H278-T281 PolarHBondContact O-N 2.88Å; H278-T281 VanDerWaalsContact O-N 3.11Å; H278-T281 PolarHBondContact O-OG1 3.15Å; L279-T281 PolarHBondContact O-N 2.83Å; L279-T281 VanDerWaalsContact O-N 3.14Å; T281-R283 PolarHBondContact O-N 3.26Å
282	C	79.6	Confident	78.6	Confident	10 Å²	10	89.4 Å²	89.4	7%	0.068	45%	0.45	C	S	.	.			trans	-75.7	119.9	-173.3	-173.1	0	0	0	0	112.2	C259 H278 L279 F284 E285	C259-C282 VanDerWaalsContact SG-SG 3.62Å; H278-C282 WeakPolarHBondContact O-CB 3.15Å; H278-C282 PolarHBondContact O-N 3.2Å; L279-C282 PolarHBondContact O-N 3.22Å; C282-F284 PolarHBondContact O-N 3.4Å; C282-E285 HydrophobicContact CB-CB 4.41Å; C282-E285 WeakPolarHBondContact O-CB 3.31Å; C282-E285 PolarHBondContact O-N 2.97Å
283	R	76.8	Confident	78.9	Confident	223 Å²	223	92.4 Å²	92.4	84%	0.842	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-28.3	178.6	-176.7	178.3	178.1	-165.7	-0.9	114.5	T281	T281-R283 PolarHBondContact O-N 3.26Å
284	F	75.1	Confident	79.3	Confident	47 Å²	47	89.2 Å²	89.2	21%	0.206	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-16.7	-178.9	-64.1	-84.9	0	0	0	113.6	H261 Y264 C266 C282 G286 L287 K288	H261-F284 HydrophobicContact CB-CB 3.43Å; H261-F284 VanDerWaalsContact CB-CB 3.43Å; H261-F284 HydrophobicContact CB-CD2 4.1Å; H261-F284 HydrophobicContact CB-CG 3.84Å; Y264-F284 VanDerWaalsContact O-CE1 3.25Å; Y264-F284 WeakPolarHBondContact O-CE1 3.49Å; Y264-F284 VanDerWaalsContact O-CZ 3.26Å; Y264-F284 WeakPolarHBondContact O-CZ 3.19Å; C266-F284 HydrophobicContact CB-CD2 3.86Å; C266-F284 HydrophobicContact CB-CE2 3.89Å; C282-F284 PolarHBondContact O-N 3.4Å; F284-G286 VanDerWaalsContact C-N 3.29Å; F284-G286 PolarHBondContact O-N 3.48Å; F284-L287 CarbonylContact O-C 3.54Å; F284-L287 WeakPolarHBondContact O-CA 3.47Å; F284-L287 PolarHBondContact O-N 3.45Å; F284-K288 PolarHBondContact O-N 2.9Å
285	E	77.6	Confident	79.5	Confident	61 Å²	61	88.9 Å²	88.9	29%	0.285	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-64.5	-35.8	179.2	-166.1	66.8	-175.4	0	0	111.2	H261 C282 L287 K288	H261-E285 IonicContact CD2-OE2 2.68Å; H261-E285 IonicContact CE1-OE2 3.3Å; H261-E285 IonicContact NE2-OE2 3.22Å; H261-E285 PolarHBondContact NE2-OE2 3.29Å; C282-E285 HydrophobicContact CB-CB 4.41Å; C282-E285 WeakPolarHBondContact O-CB 3.31Å; C282-E285 PolarHBondContact O-N 2.97Å; E285-L287 PolarHBondContact O-N 2.83Å; E285-K288 WeakPolarHBondContact O-CB 3.41Å; E285-K288 PolarHBondContact O-N 3.28Å; E285-K288 WeakPolarHBondContact OE1-CD 3.15Å; E285-K288 IonicContact OE1-NZ 2.89Å; E285-K288 PolarHBondContact OE1-NZ 2.84Å; E285-K288 IonicContact OE2-NZ 3.11Å
286	G	71.4	Confident	79.9	Confident	77 Å²	77	90.6 Å²	90.6	79%	0.794	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-70.5	-3.8	171.2	0	0	0	0	0	115.6	F284	F284-G286 VanDerWaalsContact C-N 3.29Å; F284-G286 PolarHBondContact O-N 3.48Å
287	L	77	Confident	80.5	Confident	91 Å²	91	94.6 Å²	94.6	48%	0.476	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-114.2	2.3	173.8	-71.2	170.6	0	0	0	112.5	F284 E285 E289 F290 L291	F284-L287 CarbonylContact O-C 3.54Å; F284-L287 WeakPolarHBondContact O-CA 3.47Å; F284-L287 PolarHBondContact O-N 3.45Å; E285-L287 PolarHBondContact O-N 2.83Å; L287-E289 PolarHBondContact O-N 2.89Å; L287-F290 PolarHBondContact O-N 2.95Å; L287-L291 HydrophobicContact CB-CD1 3.75Å; L287-L291 HydrophobicContact CB-CG 4.27Å; L287-L291 WeakPolarHBondContact O-CG 3.44Å; L287-L291 PolarHBondContact O-N 2.96Å
288	K	78.3	Confident	80.8	Confident	103 Å²	103	95.6 Å²	95.6	45%	0.448	47%	0.465	S	S	.	.	H	α-helix	trans	-54.1	-45.2	-171.6	-179.6	178.9	-172.9	173.6	0	113.7	F284 E285 L291 Q292	F284-K288 PolarHBondContact O-N 2.9Å; E285-K288 WeakPolarHBondContact O-CB 3.41Å; E285-K288 PolarHBondContact O-N 3.28Å; E285-K288 WeakPolarHBondContact OE1-CD 3.15Å; E285-K288 IonicContact OE1-NZ 2.89Å; E285-K288 PolarHBondContact OE1-NZ 2.84Å; E285-K288 IonicContact OE2-NZ 3.11Å; K288-L291 PolarHBondContact O-N 2.81Å; K288-Q292 WeakPolarHBondContact O-CB 3.23Å; K288-Q292 PolarHBondContact O-N 2.91Å
289	E	78.4	Confident	81.2	Confident	172 Å²	172	100.2 Å²	100.2	80%	0.804	49%	0.486	S	S	*	.	H	α-helix	trans	-64.4	-43.3	-179.3	-62.6	-174.5	161.9	0	0	112.3	L287 Q293	L287-E289 PolarHBondContact O-N 2.89Å; E289-Q293 VanDerWaalsContact O-CB 3.31Å; E289-Q293 WeakPolarHBondContact O-CB 3.29Å; E289-Q293 PolarHBondContact O-N 2.91Å
290	F	83.5	Confident	81.9	Confident	130 Å²	130	104.8 Å²	104.8	57%	0.57	51%	0.507	S	S	*	.	H	α-helix	trans	-67.1	-42.4	177.4	175.3	-96.3	0	0	0	112	L287 T294	L287-F290 PolarHBondContact O-N 2.95Å; F290-T294 WeakPolarHBondContact O-CB 3.46Å; F290-T294 PolarHBondContact O-N 2.88Å; F290-T294 PolarHBondContact O-OG1 3.12Å
291	L	80.3	Confident	82.5	Confident	29 Å²	29	101.9 Å²	101.9	15%	0.152	49%	0.494	C	S	.	.	H	α-helix	trans	-66.5	-41.9	177.9	-69.3	165.9	0	0	0	111.2	Y264 L287 K288 T294 D295	Y264-L291 HydrophobicContact CD1-CD2 4.12Å; Y264-L291 HydrophobicContact CD2-CD1 3.72Å; Y264-L291 HydrophobicContact CD2-CD2 4.29Å; Y264-L291 HydrophobicContact CD2-CG 4.39Å; Y264-L291 HydrophobicContact CE1-CD2 4.05Å; Y264-L291 HydrophobicContact CE2-CB 3.81Å; Y264-L291 HydrophobicContact CE2-CD1 3.87Å; Y264-L291 HydrophobicContact CE2-CD2 4.2Å; Y264-L291 HydrophobicContact CE2-CG 4.17Å; Y264-L291 HydrophobicContact CG-CD1 4.27Å; Y264-L291 HydrophobicContact CG-CD2 4.24Å; L287-L291 HydrophobicContact CB-CD1 3.75Å; L287-L291 HydrophobicContact CB-CG 4.27Å; L287-L291 WeakPolarHBondContact O-CG 3.44Å; L287-L291 PolarHBondContact O-N 2.96Å; K288-L291 PolarHBondContact O-N 2.81Å; L291-T294 PolarHBondContact O-N 3.43Å; L291-D295 PolarHBondContact O-N 3.26Å
292	Q	81.8	Confident	83.1	Confident	94 Å²	94	102.2 Å²	102.2	44%	0.439	49%	0.488	S	S	.	.	H	α-helix	trans	-63	-50.3	174.5	-171.7	62.4	51.1	0	0	111.3	K288 T294 D295 D296	K288-Q292 WeakPolarHBondContact O-CB 3.23Å; K288-Q292 PolarHBondContact O-N 2.91Å; Q292-T294 PolarHBondContact O-N 3.5Å; Q292-D295 PolarHBondContact O-N 2.88Å; Q292-D295 VanDerWaalsContact O-N 3.13Å; Q292-D296 PolarHBondContact NE2-OD1 3.02Å; Q292-D296 WeakPolarHBondContact O-CB 3.23Å; Q292-D296 PolarHBondContact O-N 3.27Å
293	Q	84.7	Confident	83.8	Confident	135 Å²	135	105.6 Å²	105.6	63%	0.631	51%	0.508	S	S	*	.	H	α-helix	trans	-59.5	-30.7	177.2	-173.9	178.8	50	0	0	112.6	E289 R297	E289-Q293 VanDerWaalsContact O-CB 3.31Å; E289-Q293 WeakPolarHBondContact O-CB 3.29Å; E289-Q293 PolarHBondContact O-N 2.91Å; Q293-R297 WeakPolarHBondContact O-CB 3.41Å; Q293-R297 PolarHBondContact O-N 2.87Å; Q293-R297 VanDerWaalsContact O-N 3.16Å
294	T	84.1	Confident	84.6	Confident	48 Å²	48	97.3 Å²	97.3	29%	0.294	49%	0.488	S	S	.	.	H	α-helix	trans	-72.3	-48.5	175	-56.5	0	0	0	0	111.2	F290 L291 Q292 R297 F298	F290-T294 WeakPolarHBondContact O-CB 3.46Å; F290-T294 PolarHBondContact O-N 2.88Å; F290-T294 PolarHBondContact O-OG1 3.12Å; L291-T294 PolarHBondContact O-N 3.43Å; Q292-T294 PolarHBondContact O-N 3.5Å; T294-R297 PolarHBondContact O-N 2.81Å; T294-F298 HydrophobicContact CG2-CD2 3.99Å; T294-F298 HydrophobicContact CG2-CE2 3.94Å; T294-F298 VanDerWaalsContact O-CD2 3.31Å; T294-F298 WeakPolarHBondContact O-CD2 3.13Å; T294-F298 PolarHBondContact O-N 2.89Å
295	D	84.7	Confident	85.5	Confident	56 Å²	56	99.8 Å²	99.8	30%	0.299	50%	0.502	S	S	.	.	H	α-helix	trans	-59.6	-43.8	174.8	-87.5	34.2	0	0	0	111.8	K263 Y264 L291 Q292 R297 F298 H299	K263-D295 IonicContact NZ-OD2 3.93Å; K263-D295 PolarHBondContact NZ-OD2 3.19Å; Y264-D295 PolarHBondContact OH-OD1 2.86Å; Y264-D295 PolarHBondContact OH-OD2 2.96Å; Y264-D295 VanDerWaalsContact OH-OD2 3.06Å; L291-D295 PolarHBondContact O-N 3.26Å; Q292-D295 PolarHBondContact O-N 2.88Å; Q292-D295 VanDerWaalsContact O-N 3.13Å; D295-R297 PolarHBondContact O-N 2.84Å; D295-F298 WeakPolarHBondContact O-CB 3.05Å; D295-F298 PolarHBondContact O-N 2.86Å; D295-H299 PolarHBondContact O-N 2.88Å
296	D	87.9	Confident	86.2	Confident	78 Å²	78	99.8 Å²	99.8	42%	0.417	51%	0.512	S	S	.	.	H	α-helix	trans	-59.4	-45.8	177.5	-66.3	-24.2	0	0	0	110.7	Q292 F298 H299 E300	Q292-D296 PolarHBondContact NE2-OD1 3.02Å; Q292-D296 WeakPolarHBondContact O-CB 3.23Å; Q292-D296 PolarHBondContact O-N 3.27Å; D296-F298 PolarHBondContact O-N 3.47Å; D296-H299 WeakPolarHBondContact O-CA 2.94Å; D296-H299 WeakPolarHBondContact O-CB 3.05Å; D296-H299 PolarHBondContact O-N 3.24Å; D296-H299 VanDerWaalsContact O-N 3.1Å; D296-E300 PolarHBondContact O-N 2.91Å
297	R	89.7	Confident	87.2	Confident	188 Å²	188	101.3 Å²	101.3	71%	0.709	50%	0.499	S	S	*	.	H	α-helix	trans	-66.9	-34.2	177	-172.2	178.1	-179.9	-172.1	0.3	112.8	Q293 T294 D295 H299 M301	Q293-R297 WeakPolarHBondContact O-CB 3.41Å; Q293-R297 PolarHBondContact O-N 2.87Å; Q293-R297 VanDerWaalsContact O-N 3.16Å; T294-R297 PolarHBondContact O-N 2.81Å; D295-R297 PolarHBondContact O-N 2.84Å; R297-H299 VanDerWaalsContact C-N 3.35Å; R297-M301 WeakPolarHBondContact O-CB 3.31Å; R297-M301 PolarHBondContact O-N 2.9Å; R297-M301 VanDerWaalsContact O-N 3.09Å
298	F	87.6	Confident	88	Confident	109 Å²	109	102 Å²	102	48%	0.478	50%	0.498	S	S	.	.	H	α-helix	trans	-65.9	-38.8	169.6	-90.3	-72.6	0	0	0	111.3	T294 D295 D296 M301 H302	T294-F298 HydrophobicContact CG2-CD2 3.99Å; T294-F298 HydrophobicContact CG2-CE2 3.94Å; T294-F298 VanDerWaalsContact O-CD2 3.31Å; T294-F298 WeakPolarHBondContact O-CD2 3.13Å; T294-F298 PolarHBondContact O-N 2.89Å; D295-F298 WeakPolarHBondContact O-CB 3.05Å; D295-F298 PolarHBondContact O-N 2.86Å; D296-F298 PolarHBondContact O-N 3.47Å; F298-M301 HydrophobicContact CD1-CE 3.57Å; F298-M301 HydrophobicContact CE1-CE 3.74Å; F298-M301 PolarHBondContact O-N 2.95Å; F298-H302 PolarHBondContact O-CD2 3.46Å; F298-H302 PolarHBondContact O-N 2.93Å
299	H	90.9	Very high	88.6	Confident	128 Å²	128	101.7 Å²	101.7	59%	0.593	50%	0.501	S	S	*	.	H	α-helix	trans	-65.4	-47.6	176.6	-171.2	75.1	0	0	0	112	D295 D296 R297 M301 H302 V303	D295-H299 PolarHBondContact O-N 2.88Å; D296-H299 WeakPolarHBondContact O-CA 2.94Å; D296-H299 WeakPolarHBondContact O-CB 3.05Å; D296-H299 PolarHBondContact O-N 3.24Å; D296-H299 VanDerWaalsContact O-N 3.1Å; R297-H299 VanDerWaalsContact C-N 3.35Å; H299-M301 VanDerWaalsContact C-N 3.3Å; H299-M301 PolarHBondContact O-N 2.99Å; H299-H302 PolarHBondContact O-N 2.86Å; H299-H302 VanDerWaalsContact O-N 3.13Å; H299-V303 WeakPolarHBondContact O-CG2 3.4Å; H299-V303 PolarHBondContact O-N 3.39Å
300	E	92.9	Very high	89.4	Confident	137 Å²	137	100.4 Å²	100.4	64%	0.64	50%	0.495	S	S	*	.	H	α-helix	trans	-53.5	-46.6	172.1	-73	-176.9	157.6	0	0	111.6	D296 H302 V303 A304	D296-E300 PolarHBondContact O-N 2.91Å; E300-H302 PolarHBondContact O-N 2.69Å; E300-V303 PolarHBondContact O-N 2.81Å; E300-A304 WeakPolarHBondContact O-CB 3.27Å; E300-A304 PolarHBondContact O-N 3.27Å
301	M	92.1	Very high	89.8	Confident	112 Å²	112	97.8 Å²	97.8	55%	0.552	49%	0.485	S	S	*	.	H	α-helix	trans	-64.2	-38.5	178	-174.2	174.6	64.1	0	0	112.4	R297 F298 H299 L305	R297-M301 WeakPolarHBondContact O-CB 3.31Å; R297-M301 PolarHBondContact O-N 2.9Å; R297-M301 VanDerWaalsContact O-N 3.09Å; F298-M301 HydrophobicContact CD1-CE 3.57Å; F298-M301 HydrophobicContact CE1-CE 3.74Å; F298-M301 PolarHBondContact O-N 2.95Å; H299-M301 VanDerWaalsContact C-N 3.3Å; H299-M301 PolarHBondContact O-N 2.99Å; M301-L305 WeakPolarHBondContact O-CB 3.3Å; M301-L305 PolarHBondContact O-N 3.05Å
302	H	92.1	Very high	90.4	Very high	118 Å²	118	99.6 Å²	99.6	55%	0.546	49%	0.494	S	S	.	.	H	α-helix	trans	-68	-39.6	175.1	-86	-64.7	0	0	0	112.9	F298 H299 E300 L305 A306	F298-H302 PolarHBondContact O-CD2 3.46Å; F298-H302 PolarHBondContact O-N 2.93Å; H299-H302 PolarHBondContact O-N 2.86Å; H299-H302 VanDerWaalsContact O-N 3.13Å; E300-H302 PolarHBondContact O-N 2.69Å; H302-L305 PolarHBondContact O-N 2.97Å; H302-A306 WeakPolarHBondContact O-CB 3.43Å; H302-A306 PolarHBondContact O-N 2.83Å
303	V	94.1	Very high	90.8	Very high	81 Å²	81	97.8 Å²	97.8	49%	0.491	50%	0.495	S	S	.	.	H	α-helix	trans	-64.9	-44.4	174.6	172.5	0	0	0	0	110.5	H299 E300 L305 A306 Q307	H299-V303 WeakPolarHBondContact O-CG2 3.4Å; H299-V303 PolarHBondContact O-N 3.39Å; E300-V303 PolarHBondContact O-N 2.81Å; V303-L305 VanDerWaalsContact C-N 3.35Å; V303-L305 PolarHBondContact O-N 2.79Å; V303-A306 PolarHBondContact O-N 2.77Å; V303-Q307 PolarHBondContact O-N 2.79Å
304	A	93.7	Very high	91.2	Very high	50 Å²	50	97.5 Å²	97.5	41%	0.413	49%	0.492	S	S	.	.	H	α-helix	trans	-62.5	-39.5	175.2	0	0	0	0	0	112.4	E300 Q307 K308	E300-A304 WeakPolarHBondContact O-CB 3.27Å; E300-A304 PolarHBondContact O-N 3.27Å; A304-Q307 PolarHBondContact O-N 2.84Å; A304-K308 WeakPolarHBondContact O-CG 3.38Å; A304-K308 PolarHBondContact O-N 3Å
305	L	93.4	Very high	91.6	Very high	99 Å²	99	100.1 Å²	100.1	52%	0.518	50%	0.504	S	S	.	.	H	α-helix	trans	-62.4	-48.6	174.9	-169	78	0	0	0	111.2	M301 H302 V303 Q307 K308 D309	M301-L305 WeakPolarHBondContact O-CB 3.3Å; M301-L305 PolarHBondContact O-N 3.05Å; H302-L305 PolarHBondContact O-N 2.97Å; V303-L305 VanDerWaalsContact C-N 3.35Å; V303-L305 PolarHBondContact O-N 2.79Å; L305-Q307 VanDerWaalsContact C-N 3.31Å; L305-Q307 PolarHBondContact O-N 3.18Å; L305-K308 CarbonylContact O-C 3.59Å; L305-K308 WeakPolarHBondContact O-CA 3.38Å; L305-K308 PolarHBondContact O-N 2.81Å; L305-D309 PolarHBondContact O-N 2.97Å
306	A	91.9	Very high	91.9	Very high	60 Å²	60	106 Å²	106	50%	0.496	52%	0.522	S	S	.	.	H	α-helix	trans	-61.3	-38.1	178.5	0	0	0	0	0	112.5	H302 V303 K308 D309 Q310	H302-A306 WeakPolarHBondContact O-CB 3.43Å; H302-A306 PolarHBondContact O-N 2.83Å; V303-A306 PolarHBondContact O-N 2.77Å; A306-K308 VanDerWaalsContact C-N 3.35Å; A306-D309 PolarHBondContact O-N 3.29Å; A306-Q310 PolarHBondContact O-N 3.16Å
307	Q	93.4	Very high	92	Very high	110 Å²	110	105.1 Å²	105.1	51%	0.514	52%	0.522	S	S	.	.	H	α-helix	trans	-63.2	-40	172.2	-174.6	177.7	-0.8	0	0	111.7	V303 A304 L305 Q310 E311	V303-Q307 PolarHBondContact O-N 2.79Å; A304-Q307 PolarHBondContact O-N 2.84Å; L305-Q307 VanDerWaalsContact C-N 3.31Å; L305-Q307 PolarHBondContact O-N 3.18Å; Q307-Q310 WeakPolarHBondContact O-CB 3.3Å; Q307-Q310 PolarHBondContact O-N 3.14Å; Q307-E311 PolarHBondContact O-N 3.49Å
308	K	92	Very high	92.1	Very high	106 Å²	106	99.7 Å²	99.7	46%	0.461	51%	0.505	S	S	.	.	H	α-helix	trans	-69.7	-35.6	176.3	-68.4	-66.4	166.5	-147.2	0	113	A304 L305 A306 Q310 E311 I312	A304-K308 WeakPolarHBondContact O-CG 3.38Å; A304-K308 PolarHBondContact O-N 3Å; L305-K308 CarbonylContact O-C 3.59Å; L305-K308 WeakPolarHBondContact O-CA 3.38Å; L305-K308 PolarHBondContact O-N 2.81Å; A306-K308 VanDerWaalsContact C-N 3.35Å; K308-Q310 VanDerWaalsContact C-N 3.31Å; K308-Q310 PolarHBondContact O-N 2.92Å; K308-E311 WeakPolarHBondContact CD-OE2 3.35Å; K308-E311 IonicContact NZ-OE1 4Å; K308-E311 PolarHBondContact NZ-OE1 3.33Å; K308-E311 IonicContact NZ-OE2 3.69Å; K308-E311 PolarHBondContact NZ-OE2 2.8Å; K308-E311 PolarHBondContact O-N 3.38Å; K308-I312 WeakPolarHBondContact O-CB 3.44Å; K308-I312 WeakPolarHBondContact O-CD1 3.34Å; K308-I312 VanDerWaalsContact O-CG1 3.23Å; K308-I312 WeakPolarHBondContact O-CG1 3.3Å; K308-I312 PolarHBondContact O-N 3.15Å
309	D	92.4	Very high	92.3	Very high	95 Å²	95	100.3 Å²	100.3	51%	0.508	51%	0.513	S	S	.	.	H	α-helix	trans	-63.6	-36.8	170.7	-79.4	-39.5	0	0	0	112	L305 A306 I312 A313	L305-D309 PolarHBondContact O-N 2.97Å; A306-D309 PolarHBondContact O-N 3.29Å; D309-I312 PolarHBondContact O-N 3.45Å; D309-A313 WeakPolarHBondContact O-CB 3.28Å; D309-A313 PolarHBondContact O-N 3.31Å
310	Q	93.8	Very high	92.3	Very high	145 Å²	145	96.1 Å²	96.1	68%	0.678	51%	0.505	S	S	*	.	H	α-helix	trans	-66.2	-42.1	173.2	-168.3	179.2	10.6	0	0	112.3	A306 Q307 K308 A313 F314	A306-Q310 PolarHBondContact O-N 3.16Å; Q307-Q310 WeakPolarHBondContact O-CB 3.3Å; Q307-Q310 PolarHBondContact O-N 3.14Å; K308-Q310 VanDerWaalsContact C-N 3.31Å; K308-Q310 PolarHBondContact O-N 2.92Å; Q310-A313 PolarHBondContact O-N 2.93Å; Q310-F314 PolarHBondContact O-N 2.97Å
311	E	93.1	Very high	92.2	Very high	75 Å²	75	95.7 Å²	95.7	35%	0.35	50%	0.501	S	S	.	.	H	α-helix	trans	-60	-44.9	171.8	-74.2	174.3	-149.4	0	0	111.6	Q307 K308 A313 F314 L315	Q307-E311 PolarHBondContact O-N 3.49Å; K308-E311 WeakPolarHBondContact CD-OE2 3.35Å; K308-E311 IonicContact NZ-OE1 4Å; K308-E311 PolarHBondContact NZ-OE1 3.33Å; K308-E311 IonicContact NZ-OE2 3.69Å; K308-E311 PolarHBondContact NZ-OE2 2.8Å; K308-E311 PolarHBondContact O-N 3.38Å; E311-A313 PolarHBondContact O-N 2.89Å; E311-F314 PolarHBondContact O-N 3.38Å; E311-L315 WeakPolarHBondContact O-CB 3.35Å; E311-L315 VanDerWaalsContact O-CG 3.31Å; E311-L315 WeakPolarHBondContact O-CG 3.39Å; E311-L315 PolarHBondContact O-N 2.92Å
312	I	92.7	Very high	92.1	Very high	67 Å²	67	95.2 Å²	95.2	34%	0.344	50%	0.5	S	S	.	.	H	α-helix	trans	-62.9	-40.7	177.4	-70.8	164.8	0	0	0	111	K308 D309 L315 R316	K308-I312 WeakPolarHBondContact O-CB 3.44Å; K308-I312 WeakPolarHBondContact O-CD1 3.34Å; K308-I312 VanDerWaalsContact O-CG1 3.23Å; K308-I312 WeakPolarHBondContact O-CG1 3.3Å; K308-I312 PolarHBondContact O-N 3.15Å; D309-I312 PolarHBondContact O-N 3.45Å; I312-L315 PolarHBondContact O-N 3.35Å; I312-R316 VanDerWaalsContact CG2-CZ 3.46Å; I312-R316 WeakPolarHBondContact O-CB 3.31Å; I312-R316 VanDerWaalsContact O-CG 3.26Å; I312-R316 WeakPolarHBondContact O-CG 3.43Å; I312-R316 PolarHBondContact O-N 3.02Å
313	A	90.9	Very high	92	Very high	56 Å²	56	92.5 Å²	92.5	46%	0.463	49%	0.494	S	S	.	.	H	α-helix	trans	-63.5	-41.2	174.8	0	0	0	0	0	112.1	D309 Q310 E311 R316 S317	D309-A313 WeakPolarHBondContact O-CB 3.28Å; D309-A313 PolarHBondContact O-N 3.31Å; Q310-A313 PolarHBondContact O-N 2.93Å; E311-A313 PolarHBondContact O-N 2.89Å; A313-R316 PolarHBondContact O-N 2.85Å; A313-S317 PolarHBondContact O-N 2.84Å
314	F	92.3	Very high	92	Very high	129 Å²	129	94 Å²	94	57%	0.566	50%	0.496	S	S	*	.	H	α-helix	trans	-64.9	-45.1	174.8	178.9	-105	0	0	0	112.3	Q310 E311 R316 S317 M318	Q310-F314 PolarHBondContact O-N 2.97Å; E311-F314 PolarHBondContact O-N 3.38Å; F314-R316 PolarHBondContact O-N 2.88Å; F314-S317 WeakPolarHBondContact O-CB 3.47Å; F314-S317 PolarHBondContact O-N 3.12Å; F314-S317 VanDerWaalsContact O-N 3.15Å; F314-M318 HydrophobicContact CD1-CE 3.86Å; F314-M318 HydrophobicContact CD1-SD 4.37Å; F314-M318 HydrophobicContact CE1-CE 3.41Å; F314-M318 VanDerWaalsContact CE1-CE 3.41Å; F314-M318 HydrophobicContact CE1-CG 4.16Å; F314-M318 HydrophobicContact CE1-SD 3.54Å; F314-M318 VanDerWaalsContact CE1-SD 3.54Å; F314-M318 HydrophobicContact CE2-CG 4.44Å; F314-M318 HydrophobicContact CZ-CE 4.15Å; F314-M318 HydrophobicContact CZ-CG 4.08Å; F314-M318 HydrophobicContact CZ-SD 3.62Å; F314-M318 PolarHBondContact O-N 2.9Å
315	L	92.4	Very high	91.9	Very high	103 Å²	103	97.8 Å²	97.8	54%	0.539	50%	0.503	S	S	.	.	H	α-helix	trans	-60.5	-42.9	175.4	-71.3	170.3	0	0	0	111.9	E311 I312 S317 M318 L319	E311-L315 WeakPolarHBondContact O-CB 3.35Å; E311-L315 VanDerWaalsContact O-CG 3.31Å; E311-L315 WeakPolarHBondContact O-CG 3.39Å; E311-L315 PolarHBondContact O-N 2.92Å; I312-L315 PolarHBondContact O-N 3.35Å; L315-S317 VanDerWaalsContact C-N 3.34Å; L315-S317 PolarHBondContact O-N 2.79Å; L315-M318 HydrophobicContact CD2-CE 3.84Å; L315-M318 PolarHBondContact O-N 3.02Å; L315-L319 WeakPolarHBondContact O-CB 3.23Å; L315-L319 PolarHBondContact O-N 2.92Å
316	R	90.3	Very high	91.9	Very high	179 Å²	179	98 Å²	98	68%	0.675	50%	0.504	S	S	*	.	H	α-helix	trans	-61	-40	173.3	-74.4	169.7	177.1	162.6	1.4	112.1	I312 A313 F314 L319 G320	I312-R316 VanDerWaalsContact CG2-CZ 3.46Å; I312-R316 WeakPolarHBondContact O-CB 3.31Å; I312-R316 VanDerWaalsContact O-CG 3.26Å; I312-R316 WeakPolarHBondContact O-CG 3.43Å; I312-R316 PolarHBondContact O-N 3.02Å; A313-R316 PolarHBondContact O-N 2.85Å; F314-R316 PolarHBondContact O-N 2.88Å; R316-L319 PolarHBondContact O-N 2.95Å; R316-G320 PolarHBondContact O-N 3.49Å
317	S	90.8	Very high	91.9	Very high	60 Å²	60	98.3 Å²	98.3	42%	0.42	50%	0.497	S	S	.	.	H	α-helix	trans	-64.3	-42	175.2	-172.5	0	0	0	0	112.5	A313 F314 L315 G320 K321	A313-S317 PolarHBondContact O-N 2.84Å; F314-S317 WeakPolarHBondContact O-CB 3.47Å; F314-S317 PolarHBondContact O-N 3.12Å; F314-S317 VanDerWaalsContact O-N 3.15Å; L315-S317 VanDerWaalsContact C-N 3.34Å; L315-S317 PolarHBondContact O-N 2.79Å; S317-G320 PolarHBondContact O-N 2.84Å; S317-K321 WeakPolarHBondContact O-CG 3.32Å; S317-K321 PolarHBondContact O-N 3.41Å
318	M	91.8	Very high	91.9	Very high	75 Å²	75	98.2 Å²	98.2	37%	0.369	50%	0.496	S	S	.	.	H	α-helix	trans	-66.9	-39.3	174.6	-68.6	-161.1	-61.2	0	0	112.4	F314 L315 G320 K321 L322	F314-M318 HydrophobicContact CD1-CE 3.86Å; F314-M318 HydrophobicContact CD1-SD 4.37Å; F314-M318 HydrophobicContact CE1-CE 3.41Å; F314-M318 VanDerWaalsContact CE1-CE 3.41Å; F314-M318 HydrophobicContact CE1-CG 4.16Å; F314-M318 HydrophobicContact CE1-SD 3.54Å; F314-M318 VanDerWaalsContact CE1-SD 3.54Å; F314-M318 HydrophobicContact CE2-CG 4.44Å; F314-M318 HydrophobicContact CZ-CE 4.15Å; F314-M318 HydrophobicContact CZ-CG 4.08Å; F314-M318 HydrophobicContact CZ-SD 3.62Å; F314-M318 PolarHBondContact O-N 2.9Å; L315-M318 HydrophobicContact CD2-CE 3.84Å; L315-M318 PolarHBondContact O-N 3.02Å; M318-G320 VanDerWaalsContact C-N 3.34Å; M318-G320 PolarHBondContact O-N 2.89Å; M318-K321 PolarHBondContact O-N 3.05Å; M318-L322 WeakPolarHBondContact O-CG 3.15Å; M318-L322 PolarHBondContact O-N 2.95Å
319	L	91.4	Very high	91.9	Very high	121 Å²	121	99 Å²	99	63%	0.634	51%	0.505	S	S	*	.	H	α-helix	trans	-61.2	-42	175.8	-175.4	63	0	0	0	111.6	L315 R316 K321 L322 S323	L315-L319 WeakPolarHBondContact O-CB 3.23Å; L315-L319 PolarHBondContact O-N 2.92Å; R316-L319 PolarHBondContact O-N 2.95Å; L319-K321 PolarHBondContact O-N 2.87Å; L319-L322 PolarHBondContact O-N 2.9Å; L319-L322 VanDerWaalsContact O-N 3.17Å; L319-S323 PolarHBondContact O-N 2.8Å
320	G	91.6	Very high	91.9	Very high	41 Å²	41	100 Å²	100	42%	0.423	51%	0.507	S	S	.	.	H	α-helix	trans	-58.4	-46.3	173.1	0	0	0	0	0	112.9	R316 S317 M318 L322 S323 E324	R316-G320 PolarHBondContact O-N 3.49Å; S317-G320 PolarHBondContact O-N 2.84Å; M318-G320 VanDerWaalsContact C-N 3.34Å; M318-G320 PolarHBondContact O-N 2.89Å; G320-L322 VanDerWaalsContact C-N 3.26Å; G320-L322 PolarHBondContact O-N 2.86Å; G320-S323 WeakPolarHBondContact O-CB 3.34Å; G320-S323 PolarHBondContact O-N 3.39Å; G320-E324 PolarHBondContact O-N 2.8Å
321	K	90.6	Very high	91.9	Very high	127 Å²	127	98.7 Å²	98.7	55%	0.552	50%	0.499	S	S	*	.	H	α-helix	trans	-65.7	-25	175.9	-68	174.8	-177	178.3	0	113.8	S317 M318 L319 K325	S317-K321 WeakPolarHBondContact O-CG 3.32Å; S317-K321 PolarHBondContact O-N 3.41Å; M318-K321 PolarHBondContact O-N 3.05Å; L319-K321 PolarHBondContact O-N 2.87Å; K321-K325 WeakPolarHBondContact O-CG 3.32Å; K321-K325 PolarHBondContact O-N 3.42Å
322	L	89	Confident	91.9	Very high	102 Å²	102	97.3 Å²	97.3	53%	0.534	50%	0.498	S	S	.	.	H	α-helix	trans	-79.3	-39.8	173.2	-72.2	170.1	0	0	0	111.2	M318 L319 G320 K325 I326	M318-L322 WeakPolarHBondContact O-CG 3.15Å; M318-L322 PolarHBondContact O-N 2.95Å; L319-L322 PolarHBondContact O-N 2.9Å; L319-L322 VanDerWaalsContact O-N 3.17Å; G320-L322 VanDerWaalsContact C-N 3.26Å; G320-L322 PolarHBondContact O-N 2.86Å; L322-K325 PolarHBondContact O-N 2.99Å; L322-I326 WeakPolarHBondContact O-CG1 3.47Å; L322-I326 PolarHBondContact O-N 3.09Å
323	S	90.7	Very high	91.9	Very high	62 Å²	62	98.8 Å²	98.8	43%	0.434	51%	0.505	S	S	.	.	H	α-helix	trans	-58.8	-50.1	171.7	-159.1	0	0	0	0	110.9	L319 G320 K325 I326 D327	L319-S323 PolarHBondContact O-N 2.8Å; G320-S323 WeakPolarHBondContact O-CB 3.34Å; G320-S323 PolarHBondContact O-N 3.39Å; S323-K325 PolarHBondContact O-N 3.5Å; S323-K325 VanDerWaalsContact O-N 3.15Å; S323-I326 WeakPolarHBondContact O-CA 3.33Å; S323-I326 WeakPolarHBondContact O-CB 3.4Å; S323-I326 PolarHBondContact O-N 2.8Å; S323-D327 PolarHBondContact O-N 2.76Å
324	E	94	Very high	92	Very high	113 Å²	113	101.2 Å²	101.2	53%	0.528	51%	0.507	S	S	.	.	H	α-helix	trans	-56.7	-35.6	178.7	-165.4	-168.5	165.8	0	0	112.5	G320 Q328	G320-E324 PolarHBondContact O-N 2.8Å; E324-Q328 WeakPolarHBondContact O-CB 3.46Å; E324-Q328 WeakPolarHBondContact O-CG 3.39Å; E324-Q328 PolarHBondContact O-N 3.44Å; E324-Q328 PolarHBondContact OE1-NE2 2.78Å
325	K	92.2	Very high	92	Very high	128 Å²	128	100.5 Å²	100.5	56%	0.557	51%	0.509	S	S	*	.	H	α-helix	trans	-71.4	-32.5	173.7	-77.4	-178.7	175.7	-171.5	0	113.5	K321 L322 S323 L329	K321-K325 WeakPolarHBondContact O-CG 3.32Å; K321-K325 PolarHBondContact O-N 3.42Å; L322-K325 PolarHBondContact O-N 2.99Å; S323-K325 PolarHBondContact O-N 3.5Å; S323-K325 VanDerWaalsContact O-N 3.15Å; K325-L329 WeakPolarHBondContact O-CB 3.24Å; K325-L329 VanDerWaalsContact O-CG 3.24Å; K325-L329 WeakPolarHBondContact O-CG 3.22Å; K325-L329 PolarHBondContact O-N 3.44Å
326	I	92.9	Very high	92	Very high	105 Å²	105	101.3 Å²	101.3	54%	0.538	51%	0.508	S	S	.	.	H	α-helix	trans	-67.1	-50.2	173.6	-68.5	163.2	0	0	0	108.9	L322 S323 Q328 L329 E330	L322-I326 WeakPolarHBondContact O-CG1 3.47Å; L322-I326 PolarHBondContact O-N 3.09Å; S323-I326 WeakPolarHBondContact O-CA 3.33Å; S323-I326 WeakPolarHBondContact O-CB 3.4Å; S323-I326 PolarHBondContact O-N 2.8Å; I326-Q328 PolarHBondContact O-N 2.58Å; I326-L329 PolarHBondContact O-N 3.01Å; I326-E330 WeakPolarHBondContact O-CB 3.45Å; I326-E330 PolarHBondContact O-N 2.78Å
327	D	92.3	Very high	92.1	Very high	65 Å²	65	99 Å²	99	35%	0.348	50%	0.503	S	S	.	.	H	α-helix	trans	-55.7	-35.6	175.8	-61.9	18.1	0	0	0	112.9	S323 K331	S323-D327 PolarHBondContact O-N 2.76Å; D327-K331 VanDerWaalsContact O-CD 3.29Å; D327-K331 WeakPolarHBondContact O-CD 3.49Å; D327-K331 WeakPolarHBondContact O-CG 3.44Å; D327-K331 PolarHBondContact O-N 2.83Å
328	Q	92	Very high	92.2	Very high	108 Å²	108	100.8 Å²	100.8	51%	0.505	51%	0.508	S	S	.	.	H	α-helix	trans	-73.3	-38.6	175.9	-74.7	169.4	16.9	0	0	112.4	E324 I326 S332	E324-Q328 WeakPolarHBondContact O-CB 3.46Å; E324-Q328 WeakPolarHBondContact O-CG 3.39Å; E324-Q328 PolarHBondContact O-N 3.44Å; E324-Q328 PolarHBondContact OE1-NE2 2.78Å; I326-Q328 PolarHBondContact O-N 2.58Å; Q328-S332 WeakPolarHBondContact O-CB 3.35Å; Q328-S332 PolarHBondContact O-N 2.79Å; Q328-S332 VanDerWaalsContact O-N 3.12Å
329	L	92	Very high	92.3	Very high	124 Å²	124	100.7 Å²	100.7	65%	0.649	51%	0.511	S	S	*	.	H	α-helix	trans	-72	-36.9	177.4	-75.1	169.2	0	0	0	112.1	K325 I326 S332 L333	K325-L329 WeakPolarHBondContact O-CB 3.24Å; K325-L329 VanDerWaalsContact O-CG 3.24Å; K325-L329 WeakPolarHBondContact O-CG 3.22Å; K325-L329 PolarHBondContact O-N 3.44Å; I326-L329 PolarHBondContact O-N 3.01Å; L329-S332 CarbonylContact O-C 3.54Å; L329-S332 PolarHBondContact O-N 3.39Å; L329-L333 WeakPolarHBondContact O-CB 3.48Å; L329-L333 PolarHBondContact O-N 3.27Å
330	E	93	Very high	92.2	Very high	115 Å²	115	100.1 Å²	100.1	54%	0.537	51%	0.508	S	S	.	.	H	α-helix	trans	-62.1	-50.5	175.8	-172.4	164.5	-137.7	0	0	110.9	I326 S332 L333 E334	I326-E330 WeakPolarHBondContact O-CB 3.45Å; I326-E330 PolarHBondContact O-N 2.78Å; E330-S332 VanDerWaalsContact C-N 3.27Å; E330-S332 PolarHBondContact O-N 3.19Å; E330-L333 CarbonylContact O-C 3.53Å; E330-L333 WeakPolarHBondContact O-CA 3.26Å; E330-L333 VanDerWaalsContact O-CB 3.25Å; E330-L333 WeakPolarHBondContact O-CB 3.44Å; E330-L333 PolarHBondContact O-N 2.84Å; E330-E334 PolarHBondContact O-N 3.48Å
331	K	93.7	Very high	92.2	Very high	118 Å²	118	102.8 Å²	102.8	51%	0.513	51%	0.513	S	S	.	.	H	α-helix	trans	-60.6	-34.1	173.2	-68.9	163.3	-169.4	144.5	0	113	D327 L333 L335	D327-K331 VanDerWaalsContact O-CD 3.29Å; D327-K331 WeakPolarHBondContact O-CD 3.49Å; D327-K331 WeakPolarHBondContact O-CG 3.44Å; D327-K331 PolarHBondContact O-N 2.83Å; K331-L333 PolarHBondContact O-N 3.41Å; K331-L335 WeakPolarHBondContact O-CB 3.15Å; K331-L335 WeakPolarHBondContact O-CD1 3.36Å; K331-L335 WeakPolarHBondContact O-CG 3.45Å; K331-L335 PolarHBondContact O-N 2.96Å
332	S	94	Very high	92.2	Very high	46 Å²	46	103.1 Å²	103.1	32%	0.322	52%	0.516	S	S	.	.	H	α-helix	trans	-73.2	-14.2	172.9	-170.8	0	0	0	0	113.7	Q328 L329 E330 K336	Q328-S332 WeakPolarHBondContact O-CB 3.35Å; Q328-S332 PolarHBondContact O-N 2.79Å; Q328-S332 VanDerWaalsContact O-N 3.12Å; L329-S332 CarbonylContact O-C 3.54Å; L329-S332 PolarHBondContact O-N 3.39Å; E330-S332 VanDerWaalsContact C-N 3.27Å; E330-S332 PolarHBondContact O-N 3.19Å; S332-K336 WeakPolarHBondContact O-CD 3.38Å; S332-K336 WeakPolarHBondContact O-CE 3.44Å; S332-K336 VanDerWaalsContact O-CG 3.29Å; S332-K336 WeakPolarHBondContact O-CG 3.47Å; S332-K336 PolarHBondContact O-NZ 2.89Å; S332-K336 PolarHBondContact OG-NZ 2.73Å; S332-K336 VanDerWaalsContact OG-NZ 3.12Å
333	L	91.7	Very high	92.3	Very high	97 Å²	97	102.8 Å²	102.8	51%	0.508	52%	0.515	S	S	.	.	H	α-helix	trans	-90.8	-45	174.9	-165.4	74.3	0	0	0	110.5	L329 E330 K331 K336 F337	L329-L333 WeakPolarHBondContact O-CB 3.48Å; L329-L333 PolarHBondContact O-N 3.27Å; E330-L333 CarbonylContact O-C 3.53Å; E330-L333 WeakPolarHBondContact O-CA 3.26Å; E330-L333 VanDerWaalsContact O-CB 3.25Å; E330-L333 WeakPolarHBondContact O-CB 3.44Å; E330-L333 PolarHBondContact O-N 2.84Å; K331-L333 PolarHBondContact O-N 3.41Å; L333-K336 WeakPolarHBondContact O-CA 3.42Å; L333-K336 WeakPolarHBondContact O-CB 3.24Å; L333-K336 PolarHBondContact O-N 3.2Å; L333-F337 HydrophobicContact CD1-CE2 4.4Å; L333-F337 HydrophobicContact CD2-CE2 3.87Å; L333-F337 HydrophobicContact CG-CD2 4.12Å; L333-F337 HydrophobicContact CG-CE2 3.68Å; L333-F337 WeakPolarHBondContact O-CD2 3.45Å; L333-F337 PolarHBondContact O-N 2.81Å
334	E	92.6	Very high	92.3	Very high	108 Å²	108	106.1 Å²	106.1	51%	0.505	52%	0.524	S	S	.	.	H	α-helix	trans	-52.4	-55.8	172.3	-67.5	176.4	136.8	0	0	110.9	E330 K336 F337 D338	E330-E334 PolarHBondContact O-N 3.48Å; E334-K336 PolarHBondContact O-N 2.78Å; E334-F337 WeakPolarHBondContact O-CA 3.31Å; E334-F337 WeakPolarHBondContact O-CB 3.48Å; E334-F337 PolarHBondContact O-N 3.2Å; E334-D338 PolarHBondContact O-N 3.32Å
335	L	93.3	Very high	92.1	Very high	113 Å²	113	103.5 Å²	103.5	59%	0.592	52%	0.518	S	S	*	.	H	α-helix	trans	-58.2	-21	176.9	-72	169.5	0	0	0	114.3	K331 V339	K331-L335 WeakPolarHBondContact O-CB 3.15Å; K331-L335 WeakPolarHBondContact O-CD1 3.36Å; K331-L335 WeakPolarHBondContact O-CG 3.45Å; K331-L335 PolarHBondContact O-N 2.96Å; L335-V339 VanDerWaalsContact O-CG2 3.29Å; L335-V339 WeakPolarHBondContact O-CG2 3.21Å
336	K	92.5	Very high	92.1	Very high	121 Å²	121	103.3 Å²	103.3	53%	0.526	52%	0.517	S	S	.	.	H	α-helix	trans	-88.2	-28.2	174	-74.8	172.6	-171.5	138.8	0	112.5	S332 L333 E334 L340	S332-K336 WeakPolarHBondContact O-CD 3.38Å; S332-K336 WeakPolarHBondContact O-CE 3.44Å; S332-K336 VanDerWaalsContact O-CG 3.29Å; S332-K336 WeakPolarHBondContact O-CG 3.47Å; S332-K336 PolarHBondContact O-NZ 2.89Å; S332-K336 PolarHBondContact OG-NZ 2.73Å; S332-K336 VanDerWaalsContact OG-NZ 3.12Å; L333-K336 WeakPolarHBondContact O-CA 3.42Å; L333-K336 WeakPolarHBondContact O-CB 3.24Å; L333-K336 PolarHBondContact O-N 3.2Å; E334-K336 PolarHBondContact O-N 2.78Å; K336-L340 VanDerWaalsContact O-CB 3.31Å; K336-L340 WeakPolarHBondContact O-CB 3.46Å; K336-L340 WeakPolarHBondContact O-CD1 3.14Å; K336-L340 WeakPolarHBondContact O-CG 2.78Å; K336-L340 PolarHBondContact O-N 2.85Å
337	F	92.6	Very high	92	Very high	130 Å²	130	103.7 Å²	103.7	57%	0.57	52%	0.52	S	S	*	.	H	α-helix	trans	-68.9	-43.2	170.3	-78.5	-61.5	0	0	0	111.1	L333 E334 V339 L340 D341	L333-F337 HydrophobicContact CD1-CE2 4.4Å; L333-F337 HydrophobicContact CD2-CE2 3.87Å; L333-F337 HydrophobicContact CG-CD2 4.12Å; L333-F337 HydrophobicContact CG-CE2 3.68Å; L333-F337 WeakPolarHBondContact O-CD2 3.45Å; L333-F337 PolarHBondContact O-N 2.81Å; E334-F337 WeakPolarHBondContact O-CA 3.31Å; E334-F337 WeakPolarHBondContact O-CB 3.48Å; E334-F337 PolarHBondContact O-N 3.2Å; F337-V339 PolarHBondContact O-N 3.47Å; F337-L340 WeakPolarHBondContact O-CB 3.37Å; F337-L340 PolarHBondContact O-N 2.83Å; F337-L340 VanDerWaalsContact O-N 3.08Å; F337-D341 PolarHBondContact O-N 2.95Å
338	D	92.6	Very high	91.9	Very high	98 Å²	98	103.5 Å²	103.5	52%	0.524	52%	0.524	S	S	.	.	H	α-helix	trans	-56.3	-52	175.6	-60.5	-28.4	0	0	0	110.9	E334 L340 D341 E342	E334-D338 PolarHBondContact O-N 3.32Å; D338-L340 VanDerWaalsContact C-N 3.27Å; D338-L340 PolarHBondContact O-N 2.91Å; D338-D341 PolarHBondContact O-N 2.95Å; D338-D341 VanDerWaalsContact O-N 3.13Å; D338-E342 PolarHBondContact O-N 3.39Å
339	V	93.3	Very high	91.9	Very high	73 Å²	73	104.9 Å²	104.9	44%	0.442	53%	0.53	S	S	.	.	H	α-helix	trans	-62.8	-31.5	176.6	170.5	0	0	0	0	112.2	L335 F337 N343	L335-V339 VanDerWaalsContact O-CG2 3.29Å; L335-V339 WeakPolarHBondContact O-CG2 3.21Å; F337-V339 PolarHBondContact O-N 3.47Å; V339-N343 WeakPolarHBondContact O-CB 3.31Å; V339-N343 PolarHBondContact O-N 3.2Å; V339-N343 PolarHBondContact O-ND2 3.28Å
340	L	90.5	Very high	91.9	Very high	108 Å²	108	101.8 Å²	101.8	57%	0.565	51%	0.514	S	S	*	.	H	α-helix	trans	-71	-35.8	174.6	-81.3	168.8	0	0	0	112.3	K336 F337 D338 N343 Q344	K336-L340 VanDerWaalsContact O-CB 3.31Å; K336-L340 WeakPolarHBondContact O-CB 3.46Å; K336-L340 WeakPolarHBondContact O-CD1 3.14Å; K336-L340 WeakPolarHBondContact O-CG 2.78Å; K336-L340 PolarHBondContact O-N 2.85Å; F337-L340 WeakPolarHBondContact O-CB 3.37Å; F337-L340 PolarHBondContact O-N 2.83Å; F337-L340 VanDerWaalsContact O-N 3.08Å; D338-L340 VanDerWaalsContact C-N 3.27Å; D338-L340 PolarHBondContact O-N 2.91Å; L340-N343 PolarHBondContact O-N 3.1Å; L340-Q344 VanDerWaalsContact O-CB 3.26Å; L340-Q344 WeakPolarHBondContact O-CB 3.4Å; L340-Q344 PolarHBondContact O-N 3.1Å
341	D	90.1	Very high	91.7	Very high	98 Å²	98	100.5 Å²	100.5	52%	0.524	51%	0.51	S	S	.	.	H	α-helix	trans	-75.2	-35.8	177.4	-158.1	49.8	0	0	0	112	F337 D338 N343 Q344 S345	F337-D341 PolarHBondContact O-N 2.95Å; D338-D341 PolarHBondContact O-N 2.95Å; D338-D341 VanDerWaalsContact O-N 3.13Å; D341-N343 PolarHBondContact O-N 2.8Å; D341-Q344 PolarHBondContact O-N 2.9Å; D341-Q344 PolarHBondContact OD1-NE2 3.39Å; D341-S345 WeakPolarHBondContact O-CB 3.4Å; D341-S345 PolarHBondContact O-N 3.4Å; D341-S345 PolarHBondContact O-OG 2.89Å
342	E	92	Very high	91.3	Very high	133 Å²	133	99.6 Å²	99.6	62%	0.621	51%	0.509	S	S	*	.	H	α-helix	trans	-58.4	-44.6	166.8	-73.3	-172.4	162.3	0	0	111.8	D338 S345 K346	D338-E342 PolarHBondContact O-N 3.39Å; E342-S345 WeakPolarHBondContact CA-OG 3.24Å; E342-S345 PolarHBondContact O-OG 3.49Å; E342-K346 WeakPolarHBondContact O-CB 3.43Å; E342-K346 PolarHBondContact O-N 3.22Å
343	N	90.6	Very high	91.1	Very high	95 Å²	95	102.5 Å²	102.5	51%	0.508	52%	0.518	S	S	.	.	H	α-helix	trans	-70.7	-33.4	176.8	-80.7	-75.2	0	0	0	112.5	V339 L340 D341 L347	V339-N343 WeakPolarHBondContact O-CB 3.31Å; V339-N343 PolarHBondContact O-N 3.2Å; V339-N343 PolarHBondContact O-ND2 3.28Å; L340-N343 PolarHBondContact O-N 3.1Å; D341-N343 PolarHBondContact O-N 2.8Å; N343-L347 WeakPolarHBondContact O-CB 3.12Å; N343-L347 PolarHBondContact O-N 2.85Å
344	Q	90.7	Very high	90.9	Very high	132 Å²	132	105 Å²	105	62%	0.617	53%	0.525	S	S	*	.	H	α-helix	trans	-70.8	-44.1	177.7	-178.2	177.2	-94.2	0	0	111.8	L340 D341 L347 S348	L340-Q344 VanDerWaalsContact O-CB 3.26Å; L340-Q344 WeakPolarHBondContact O-CB 3.4Å; L340-Q344 PolarHBondContact O-N 3.1Å; D341-Q344 PolarHBondContact O-N 2.9Å; D341-Q344 PolarHBondContact OD1-NE2 3.39Å; Q344-L347 PolarHBondContact O-N 3.37Å; Q344-S348 WeakPolarHBondContact O-CB 3.47Å; Q344-S348 PolarHBondContact O-N 3.26Å
345	S	89.8	Confident	90.5	Very high	59 Å²	59	108.3 Å²	108.3	41%	0.413	53%	0.533	S	S	.	.	H	α-helix	trans	-63.1	-47.9	175.6	50.4	0	0	0	0	110.8	D341 E342 L347 S348 E349	D341-S345 WeakPolarHBondContact O-CB 3.4Å; D341-S345 PolarHBondContact O-N 3.4Å; D341-S345 PolarHBondContact O-OG 2.89Å; E342-S345 WeakPolarHBondContact CA-OG 3.24Å; E342-S345 PolarHBondContact O-OG 3.49Å; S345-L347 PolarHBondContact O-N 3.17Å; S345-S348 WeakPolarHBondContact O-CA 3.33Å; S345-S348 VanDerWaalsContact O-CB 3.27Å; S345-S348 WeakPolarHBondContact O-CB 3.24Å; S345-S348 PolarHBondContact O-N 2.9Å; S345-S348 VanDerWaalsContact O-N 3.09Å; S345-E349 PolarHBondContact O-N 3.15Å
346	K	92	Very high	90.3	Very high	123 Å²	123	109.7 Å²	109.7	54%	0.535	53%	0.53	S	S	.	.	H	α-helix	trans	-58.1	-47.8	173.9	-177.3	172.2	179.7	175.4	0	113	E342 S348 E349 D350	E342-K346 WeakPolarHBondContact O-CB 3.43Å; E342-K346 PolarHBondContact O-N 3.22Å; K346-S348 PolarHBondContact O-N 3.1Å; K346-E349 PolarHBondContact O-N 3.05Å; K346-D350 PolarHBondContact O-N 3.22Å
347	L	90.4	Very high	90.1	Very high	113 Å²	113	108 Å²	108	59%	0.592	53%	0.527	S	S	*	.	H	α-helix	trans	-62.3	-28.9	177.6	-177.9	62.6	0	0	0	112.3	N343 Q344 S345 L351	N343-L347 WeakPolarHBondContact O-CB 3.12Å; N343-L347 PolarHBondContact O-N 2.85Å; Q344-L347 PolarHBondContact O-N 3.37Å; S345-L347 PolarHBondContact O-N 3.17Å; L347-L351 WeakPolarHBondContact O-CB 3.4Å; L347-L351 PolarHBondContact O-N 3.3Å
348	S	89.8	Confident	89.5	Confident	61 Å²	61	104.6 Å²	104.6	43%	0.427	52%	0.523	S	S	.	.	H	α-helix	trans	-70.4	-40.2	172.1	-171.6	0	0	0	0	111.9	Q344 S345 K346 L351 M352	Q344-S348 WeakPolarHBondContact O-CB 3.47Å; Q344-S348 PolarHBondContact O-N 3.26Å; S345-S348 WeakPolarHBondContact O-CA 3.33Å; S345-S348 VanDerWaalsContact O-CB 3.27Å; S345-S348 WeakPolarHBondContact O-CB 3.24Å; S345-S348 PolarHBondContact O-N 2.9Å; S345-S348 VanDerWaalsContact O-N 3.09Å; K346-S348 PolarHBondContact O-N 3.1Å; S348-L351 PolarHBondContact O-N 3.45Å; S348-M352 WeakPolarHBondContact O-CG 3.25Å; S348-M352 PolarHBondContact O-N 2.9Å
349	E	92.9	Very high	89.1	Confident	137 Å²	137	102.9 Å²	102.9	64%	0.64	52%	0.518	S	S	*	.	H	α-helix	trans	-65.5	-50.7	174.4	-67.9	-173.3	154	0	0	111.7	S345 K346 L351 M352 E353	S345-E349 PolarHBondContact O-N 3.15Å; K346-E349 PolarHBondContact O-N 3.05Å; E349-L351 PolarHBondContact O-N 3.14Å; E349-M352 WeakPolarHBondContact O-CA 3.42Å; E349-M352 WeakPolarHBondContact O-CB 3.1Å; E349-M352 PolarHBondContact O-N 3.21Å; E349-E353 PolarHBondContact O-N 2.72Å
350	D	91.4	Very high	88.6	Confident	60 Å²	60	105.7 Å²	105.7	32%	0.321	53%	0.528	S	S	.	.	H	α-helix	trans	-52	-45	173.8	-64.9	-16	0	0	0	110.2	K346 M352 E353 F354	K346-D350 PolarHBondContact O-N 3.22Å; D350-M352 PolarHBondContact O-N 3.41Å; D350-E353 PolarHBondContact O-N 3.3Å; D350-F354 WeakPolarHBondContact O-CD2 3.5Å; D350-F354 PolarHBondContact O-N 2.99Å
351	L	88.4	Confident	88.2	Confident	87 Å²	87	105.7 Å²	105.7	46%	0.455	53%	0.528	S	S	.	.	H	α-helix	trans	-74	-22.2	-179.7	-171	149.1	0	0	0	113.5	L347 S348 E349 R355	L347-L351 WeakPolarHBondContact O-CB 3.4Å; L347-L351 PolarHBondContact O-N 3.3Å; S348-L351 PolarHBondContact O-N 3.45Å; E349-L351 PolarHBondContact O-N 3.14Å; L351-R355 VanDerWaalsContact O-CG 3.28Å; L351-R355 WeakPolarHBondContact O-CG 3.29Å; L351-R355 PolarHBondContact O-N 2.71Å
352	M	86.7	Confident	87.6	Confident	99 Å²	99	105.5 Å²	105.5	49%	0.488	53%	0.527	S	S	.	.	H	α-helix	trans	-75.5	-36.4	166.2	-72	-162.5	-155.8	0	0	111.8	S348 E349 D350 R355 R356	S348-M352 WeakPolarHBondContact O-CG 3.25Å; S348-M352 PolarHBondContact O-N 2.9Å; E349-M352 WeakPolarHBondContact O-CA 3.42Å; E349-M352 WeakPolarHBondContact O-CB 3.1Å; E349-M352 PolarHBondContact O-N 3.21Å; D350-M352 PolarHBondContact O-N 3.41Å; M352-R355 PolarHBondContact O-N 2.74Å; M352-R356 WeakPolarHBondContact O-CG 3.36Å; M352-R356 PolarHBondContact O-N 3.36Å; M352-R356 VanDerWaalsContact O-N 3.14Å
353	E	89.8	Confident	87.1	Confident	108 Å²	108	102.8 Å²	102.8	51%	0.505	52%	0.517	S	S	.	.	H	α-helix	trans	-65.2	-52.7	175.5	-170.2	161.3	-134.6	0	0	111.2	E349 D350 R355 R356 D357	E349-E353 PolarHBondContact O-N 2.72Å; D350-E353 PolarHBondContact O-N 3.3Å; E353-R355 PolarHBondContact O-N 2.98Å; E353-R356 WeakPolarHBondContact O-CA 3.22Å; E353-R356 WeakPolarHBondContact O-CB 3.39Å; E353-R356 PolarHBondContact O-N 3.09Å; E353-D357 PolarHBondContact O-N 2.99Å
354	F	87.4	Confident	86.7	Confident	148 Å²	148	104.2 Å²	104.2	65%	0.649	52%	0.52	S	S	*	.	H	α-helix	trans	-54.7	-27.8	173	-78.7	-61.2	0	0	0	113.8	D350 A358	D350-F354 WeakPolarHBondContact O-CD2 3.5Å; D350-F354 PolarHBondContact O-N 2.99Å; F354-A358 WeakPolarHBondContact O-CB 3.49Å; F354-A358 PolarHBondContact O-N 3.44Å
355	R	83.6	Confident	85.7	Confident	179 Å²	179	101.8 Å²	101.8	68%	0.675	51%	0.512	S	S	*	.	H	α-helix	trans	-75.2	-35.1	173.3	-81.6	177.6	178.9	-175.8	7.9	113.5	L351 M352 E353 S359	L351-R355 VanDerWaalsContact O-CG 3.28Å; L351-R355 WeakPolarHBondContact O-CG 3.29Å; L351-R355 PolarHBondContact O-N 2.71Å; M352-R355 PolarHBondContact O-N 2.74Å; E353-R355 PolarHBondContact O-N 2.98Å; R355-S359 WeakPolarHBondContact O-CB 3.17Å; R355-S359 PolarHBondContact O-N 3.34Å; R355-S359 VanDerWaalsContact O-N 3.08Å
356	R	89.1	Confident	84.9	Confident	142 Å²	142	101.7 Å²	101.7	54%	0.536	51%	0.511	S	S	.	.	H	α-helix	trans	-67	-46.7	172.7	-64	176.7	-155.4	110.3	4.1	109.6	M352 E353 A358 S359 M360	M352-R356 WeakPolarHBondContact O-CG 3.36Å; M352-R356 PolarHBondContact O-N 3.36Å; M352-R356 VanDerWaalsContact O-N 3.14Å; E353-R356 WeakPolarHBondContact O-CA 3.22Å; E353-R356 WeakPolarHBondContact O-CB 3.39Å; E353-R356 PolarHBondContact O-N 3.09Å; R356-A358 PolarHBondContact O-N 2.96Å; R356-S359 WeakPolarHBondContact O-CB 3.47Å; R356-S359 PolarHBondContact O-N 3.2Å; R356-S359 VanDerWaalsContact O-N 3.1Å; R356-M360 VanDerWaalsContact O-CG 3.29Å; R356-M360 WeakPolarHBondContact O-CG 3.43Å; R356-M360 PolarHBondContact O-N 3.21Å
357	D	87.6	Confident	84.1	Confident	85 Å²	85	102 Å²	102	46%	0.455	51%	0.514	S	S	.	.	H	α-helix	trans	-62.8	-44.4	179.2	-66.7	-6.4	0	0	0	111.7	E353 S359 M360 L361	E353-D357 PolarHBondContact O-N 2.99Å; D357-S359 VanDerWaalsContact C-N 3.29Å; D357-S359 PolarHBondContact O-N 3.3Å; D357-M360 PolarHBondContact O-N 3.18Å; D357-L361 VanDerWaalsContact O-CB 3.31Å; D357-L361 WeakPolarHBondContact O-CB 3.44Å; D357-L361 PolarHBondContact O-N 3.31Å
358	A	80.6	Confident	83.1	Confident	59 Å²	59	100.7 Å²	100.7	49%	0.488	51%	0.506	S	S	.	.	H	α-helix	trans	-64.4	-31.7	174.4	0	0	0	0	0	112.8	F354 R356 N362	F354-A358 WeakPolarHBondContact O-CB 3.49Å; F354-A358 PolarHBondContact O-N 3.44Å; R356-A358 PolarHBondContact O-N 2.96Å; A358-N362 WeakPolarHBondContact O-CB 3.2Å; A358-N362 PolarHBondContact O-N 2.9Å
359	S	84	Confident	81.6	Confident	61 Å²	61	101.9 Å²	101.9	43%	0.427	51%	0.508	S	S	.	.	H	α-helix	trans	-68	-49.3	172	-163.5	0	0	0	0	110.9	R355 R356 D357 L361 N362 D363	R355-S359 WeakPolarHBondContact O-CB 3.17Å; R355-S359 PolarHBondContact O-N 3.34Å; R355-S359 VanDerWaalsContact O-N 3.08Å; R356-S359 WeakPolarHBondContact O-CB 3.47Å; R356-S359 PolarHBondContact O-N 3.2Å; R356-S359 VanDerWaalsContact O-N 3.1Å; D357-S359 VanDerWaalsContact C-N 3.29Å; D357-S359 PolarHBondContact O-N 3.3Å; S359-L361 VanDerWaalsContact C-N 3.34Å; S359-L361 PolarHBondContact O-N 2.74Å; S359-N362 WeakPolarHBondContact O-CB 3.34Å; S359-N362 PolarHBondContact O-N 3.16Å; S359-N362 VanDerWaalsContact O-N 3.12Å; S359-D363 PolarHBondContact O-N 2.99Å
360	M	83.8	Confident	80.2	Confident	132 Å²	132	98.6 Å²	98.6	65%	0.65	50%	0.504	S	S	*	.	H	α-helix	trans	-60.1	-44.1	178.6	-63	-120.5	-63.4	0	0	111.6	R356 D357 N362 D363 E364	R356-M360 VanDerWaalsContact O-CG 3.29Å; R356-M360 WeakPolarHBondContact O-CG 3.43Å; R356-M360 PolarHBondContact O-N 3.21Å; D357-M360 PolarHBondContact O-N 3.18Å; M360-N362 VanDerWaalsContact C-N 3.33Å; M360-N362 PolarHBondContact O-N 3.21Å; M360-D363 PolarHBondContact O-N 3.26Å; M360-E364 PolarHBondContact O-N 3.36Å
361	L	80.6	Confident	78.9	Confident	108 Å²	108	106.2 Å²	106.2	57%	0.565	53%	0.528	S	S	*	.	H	α-helix	trans	-64.1	-37.3	175.9	-163.5	85.2	0	0	0	111.8	D357 S359 L365	D357-L361 VanDerWaalsContact O-CB 3.31Å; D357-L361 WeakPolarHBondContact O-CB 3.44Å; D357-L361 PolarHBondContact O-N 3.31Å; S359-L361 VanDerWaalsContact C-N 3.34Å; S359-L361 PolarHBondContact O-N 2.74Å; L361-L365 HydrophobicContact CD2-CD1 4.45Å; L361-L365 HydrophobicContact CG-CD1 4.37Å; L361-L365 VanDerWaalsContact O-CB 3.26Å; L361-L365 WeakPolarHBondContact O-CB 3.42Å; L361-L365 WeakPolarHBondContact O-CD1 3.47Å; L361-L365 VanDerWaalsContact O-CG 3.24Å; L361-L365 WeakPolarHBondContact O-CG 3.35Å; L361-L365 PolarHBondContact O-N 3.37Å
362	N	78.6	Confident	77.2	Confident	95 Å²	95	107.8 Å²	107.8	51%	0.508	54%	0.537	S	S	.	.	H	α-helix	trans	-67.1	-38.2	174.2	177.4	89	0	0	0	111.9	A358 S359 M360 L365 S366	A358-N362 WeakPolarHBondContact O-CB 3.2Å; A358-N362 PolarHBondContact O-N 2.9Å; S359-N362 WeakPolarHBondContact O-CB 3.34Å; S359-N362 PolarHBondContact O-N 3.16Å; S359-N362 VanDerWaalsContact O-N 3.12Å; M360-N362 VanDerWaalsContact C-N 3.33Å; M360-N362 PolarHBondContact O-N 3.21Å; N362-L365 PolarHBondContact O-N 2.88Å; N362-S366 WeakPolarHBondContact O-CB 3.19Å; N362-S366 PolarHBondContact O-N 3.28Å
363	D	81.5	Confident	75.3	Confident	75 Å²	75	109.5 Å²	109.5	40%	0.401	55%	0.548	S	S	.	.	H	α-helix	trans	-69.9	-41.9	177.3	-63.9	-26.8	0	0	0	110.8	S359 M360 S366 H367	S359-D363 PolarHBondContact O-N 2.99Å; M360-D363 PolarHBondContact O-N 3.26Å; D363-S366 WeakPolarHBondContact O-CB 3.22Å; D363-S366 PolarHBondContact O-N 3.46Å; D363-S366 VanDerWaalsContact O-N 3.16Å; D363-S366 PolarHBondContact O-OG 3.36Å; D363-H367 PolarHBondContact O-CD2 2.78Å; D363-H367 VanDerWaalsContact O-CD2 3.23Å; D363-H367 PolarHBondContact O-N 3.21Å
364	E	81.3	Confident	73.1	Confident	125 Å²	125	113.3 Å²	113.3	58%	0.584	57%	0.568	S	S	*	*	H	α-helix	trans	-61.1	-44.1	169.1	-73.3	-160.6	155.7	0	0	112.3	M360 S366 H367 I368	M360-E364 PolarHBondContact O-N 3.36Å; E364-S366 VanDerWaalsContact C-N 3.25Å; E364-S366 PolarHBondContact O-N 3.3Å; E364-H367 CarbonylContact O-C 3.55Å; E364-H367 PolarHBondContact O-N 3.22Å; E364-H367 VanDerWaalsContact O-N 3.14Å; E364-I368 WeakPolarHBondContact O-CB 3.36Å; E364-I368 VanDerWaalsContact O-CG1 3.29Å; E364-I368 WeakPolarHBondContact O-CG1 3.4Å; E364-I368 PolarHBondContact O-N 2.95Å
365	L	71.5	Confident	70.8	Confident	82 Å²	82	109.1 Å²	109.1	43%	0.429	57%	0.567	S	S	.	*	H	α-helix	trans	-60.3	-35.3	173	-81.7	164.1	0	0	0	111.7	L361 N362 I368 N369	L361-L365 HydrophobicContact CD2-CD1 4.45Å; L361-L365 HydrophobicContact CG-CD1 4.37Å; L361-L365 VanDerWaalsContact O-CB 3.26Å; L361-L365 WeakPolarHBondContact O-CB 3.42Å; L361-L365 WeakPolarHBondContact O-CD1 3.47Å; L361-L365 VanDerWaalsContact O-CG 3.24Å; L361-L365 WeakPolarHBondContact O-CG 3.35Å; L361-L365 PolarHBondContact O-N 3.37Å; N362-L365 PolarHBondContact O-N 2.88Å; L365-I368 PolarHBondContact O-N 3.41Å; L365-N369 VanDerWaalsContact O-CB 3.29Å; L365-N369 WeakPolarHBondContact O-CB 3.45Å; L365-N369 VanDerWaalsContact O-CG 3.22Å; L365-N369 PolarHBondContact O-N 3.05Å; L365-N369 PolarHBondContact O-ND2 3.2Å
366	S	73	Confident	68.7	Low	56 Å²	56	108.3 Å²	108.3	39%	0.392	57%	0.574	S	S	.	*	H	α-helix	trans	-65.8	-41.9	174.3	89.4	0	0	0	0	111.5	N362 D363 E364 N369 A370	N362-S366 WeakPolarHBondContact O-CB 3.19Å; N362-S366 PolarHBondContact O-N 3.28Å; D363-S366 WeakPolarHBondContact O-CB 3.22Å; D363-S366 PolarHBondContact O-N 3.46Å; D363-S366 VanDerWaalsContact O-N 3.16Å; D363-S366 PolarHBondContact O-OG 3.36Å; E364-S366 VanDerWaalsContact C-N 3.25Å; E364-S366 PolarHBondContact O-N 3.3Å; S366-N369 PolarHBondContact O-N 3.36Å; S366-A370 VanDerWaalsContact O-CB 3.32Å; S366-A370 WeakPolarHBondContact O-CB 3.41Å; S366-A370 PolarHBondContact O-N 3.47Å
367	H	75.1	Confident	66.1	Low	131 Å²	131	109.9 Å²	109.9	61%	0.606	59%	0.592	S	S	*	*	H	α-helix	trans	-67.9	-35.9	174.9	-73.7	-55.7	0	0	0	112.6	D363 E364 R371	D363-H367 PolarHBondContact O-CD2 2.78Å; D363-H367 VanDerWaalsContact O-CD2 3.23Å; D363-H367 PolarHBondContact O-N 3.21Å; E364-H367 CarbonylContact O-C 3.55Å; E364-H367 PolarHBondContact O-N 3.22Å; E364-H367 VanDerWaalsContact O-N 3.14Å; H367-R371 VanDerWaalsContact O-CG 3.26Å; H367-R371 WeakPolarHBondContact O-CG 3.25Å; H367-R371 PolarHBondContact O-N 3.13Å
368	I	68.6	Low	63.6	Low	84 Å²	84	108.9 Å²	108.9	43%	0.431	60%	0.602	S	S	.	*	H	α-helix	trans	-67.1	-49.1	173.9	-70.2	164.2	0	0	0	109.9	E364 L365 A370 R371 L372	E364-I368 WeakPolarHBondContact O-CB 3.36Å; E364-I368 VanDerWaalsContact O-CG1 3.29Å; E364-I368 WeakPolarHBondContact O-CG1 3.4Å; E364-I368 PolarHBondContact O-N 2.95Å; L365-I368 PolarHBondContact O-N 3.41Å; I368-A370 VanDerWaalsContact C-N 3.32Å; I368-A370 PolarHBondContact O-N 2.92Å; I368-R371 CarbonylContact O-C 3.56Å; I368-R371 WeakPolarHBondContact O-CA 3.43Å; I368-R371 PolarHBondContact O-N 3.48Å; I368-L372 HydrophobicContact CG2-CD1 3.67Å; I368-L372 HydrophobicContact CG2-CG 4.17Å; I368-L372 WeakPolarHBondContact O-CG 3.4Å; I368-L372 PolarHBondContact O-N 3.39Å
369	N	58.2	Low	61.3	Low	86 Å²	86	112 Å²	112	46%	0.46	62%	0.62	S	S	.	*	H	α-helix	trans	-61.2	-37.9	176.7	-74.4	-28	0	0	0	112.5	L365 S366 R371 L372 N373	L365-N369 VanDerWaalsContact O-CB 3.29Å; L365-N369 WeakPolarHBondContact O-CB 3.45Å; L365-N369 VanDerWaalsContact O-CG 3.22Å; L365-N369 PolarHBondContact O-N 3.05Å; L365-N369 PolarHBondContact O-ND2 3.2Å; S366-N369 PolarHBondContact O-N 3.36Å; N369-R371 PolarHBondContact O-N 3.18Å; N369-L372 PolarHBondContact O-N 2.92Å; N369-N373 PolarHBondContact O-N 2.77Å; N369-N373 PolarHBondContact O-ND2 3.36Å
370	A	64.1	Low	58.9	Low	68 Å²	68	119.9 Å²	119.9	56%	0.562	64%	0.642	S	S	*	*	H	α-helix	trans	-62.2	-31.2	172.8	0	0	0	0	0	112.8	S366 I368	S366-A370 VanDerWaalsContact O-CB 3.32Å; S366-A370 WeakPolarHBondContact O-CB 3.41Å; S366-A370 PolarHBondContact O-N 3.47Å; I368-A370 VanDerWaalsContact C-N 3.32Å; I368-A370 PolarHBondContact O-N 2.92Å
371	R	64	Low	56.7	Low	220 Å²	220	118.4 Å²	118.4	83%	0.83	64%	0.637	S	S	*	*	H	α-helix	trans	-86	-24.4	176.4	-67.3	172.5	74.9	171.8	4.8	113.6	H367 I368 N369	H367-R371 VanDerWaalsContact O-CG 3.26Å; H367-R371 WeakPolarHBondContact O-CG 3.25Å; H367-R371 PolarHBondContact O-N 3.13Å; I368-R371 CarbonylContact O-C 3.56Å; I368-R371 WeakPolarHBondContact O-CA 3.43Å; I368-R371 PolarHBondContact O-N 3.48Å; N369-R371 PolarHBondContact O-N 3.18Å
372	L	52.9	Low	55.1	Low	121 Å²	121	118.5 Å²	118.5	63%	0.634	64%	0.644	S	S	*	*	H	α-helix	trans	-83.5	-7.2	176.1	-70	175.7	0	0	0	113.7	I368 N369 M374	I368-L372 HydrophobicContact CG2-CD1 3.67Å; I368-L372 HydrophobicContact CG2-CG 4.17Å; I368-L372 WeakPolarHBondContact O-CG 3.4Å; I368-L372 PolarHBondContact O-N 3.39Å; N369-L372 PolarHBondContact O-N 2.92Å; L372-M374 PolarHBondContact O-N 3.1Å
373	N	47.1	Very low	53.9	Low	134 Å²	134	121 Å²	121	72%	0.717	65%	0.653	S	S	*	*			trans	-74.2	51.6	-177.4	-101.4	-36.8	0	0	0	114.6	N369	N369-N373 PolarHBondContact O-N 2.77Å; N369-N373 PolarHBondContact O-ND2 3.36Å
374	M	42.7	Very low	53.1	Low	188 Å²	188	122 Å²	122	93%	0.926	66%	0.655	S	S	*	*	S	Bend	trans	-124.7	64.1	162.7	-87.4	-71.8	-77.8	0	0	110.1	L372	L372-M374 PolarHBondContact O-N 3.1Å
375	G	38.6	Very low	53.1	Low	61 Å²	61	119.5 Å²	119.5	63%	0.629	65%	0.645	S	S	*	*	S	Bend	trans	114.7	89.7	157.4	0	0	0	0	0	118.1
376	I	40.4	Very low	53.8	Low	161 Å²	161	116.1 Å²	116.1	83%	0.826	63%	0.627	S	S	*	*			trans	76.4	144.2	144.1	-60.9	173.6	0	0	0	118
377	L	33.8	Very low	54.5	Low	175 Å²	175	119 Å²	119	92%	0.916	63%	0.632	S	S	*	*			trans	74.5	137.8	168.1	-84.5	160.1	0	0	0	118.9
378	G	35.4	Very low	55.2	Low	64 Å²	64	114.8 Å²	114.8	66%	0.66	62%	0.617	S	S	*	*			trans	97.6	69.8	163.1	0	0	0	0	0	116.6	Y380	G378-Y380 PolarHBondContact O-N 3.18Å
379	S	32.1	Very low	56.2	Low	125 Å²	125	116.6 Å²	116.6	87%	0.874	62%	0.622	S	S	*	*			trans	-69.9	99.5	166.5	37.1	0	0	0	0	111.3	D381	S379-D381 PolarHBondContact O-N 2.84Å; S379-D381 VanDerWaalsContact O-N 3.09Å
380	Y	33.4	Very low	57.5	Low	227 Å²	227	113.8 Å²	113.8	89%	0.89	61%	0.613	S	S	*	*			trans	-66.5	101.5	167.3	-103.6	-101.1	0	0	0	110.2	G378 P382	G378-Y380 PolarHBondContact O-N 3.18Å; Y380-P382 WeakPolarHBondContact O-CD 3.37Å
381	D	37.8	Very low	58.8	Low	100 Å²	100	113.5 Å²	113.5	54%	0.535	61%	0.605	S	S	.	*			trans	-83.6	115.1	175.1	-175.2	27.3	0	0	0	110.3	S379 Q383 Q384	S379-D381 PolarHBondContact O-N 2.84Å; S379-D381 VanDerWaalsContact O-N 3.09Å; D381-Q383 PolarHBondContact O-N 2.9Å; D381-Q384 VanDerWaalsContact OD2-CG 3.23Å; D381-Q384 WeakPolarHBondContact OD2-CG 3.49Å; D381-Q384 PolarHBondContact OD2-NE2 3.47Å
382	P	46.5	Very low	60.1	Low	110 Å²	110	103.6 Å²	103.6	71%	0.714	57%	0.567	S	S	*	*			trans	-73.6	90.7	-172	29.4	-35.3	0	0	0	112.2	Y380	Y380-P382 WeakPolarHBondContact O-CD 3.37Å
383	Q	54	Low	61.9	Low	149 Å²	149	102.8 Å²	102.8	70%	0.696	57%	0.567	S	S	*	*			trans	44.4	102.3	172.9	-67.9	-169.3	1.1	0	0	115.5	D381 I385	D381-Q383 PolarHBondContact O-N 2.9Å; Q383-I385 WeakPolarHBondContact O-CG1 3.39Å; Q383-I385 PolarHBondContact O-N 3.39Å
384	Q	64	Low	63.7	Low	94 Å²	94	97.7 Å²	97.7	44%	0.439	55%	0.547	S	S	.	.			trans	-64.7	90.1	173.7	-66.9	-176.4	-0.3	0	0	112.8	D381 C670	D381-Q384 VanDerWaalsContact OD2-CG 3.23Å; D381-Q384 WeakPolarHBondContact OD2-CG 3.49Å; D381-Q384 PolarHBondContact OD2-NE2 3.47Å; Q384-C670 WeakPolarHBondContact CA-SG 3.42Å; Q384-C670 HydrophobicContact CB-CB 4.24Å; Q384-C670 VanDerWaalsContact CB-SG 3.56Å
385	I	81.9	Confident	66.3	Low	74 Å²	74	89.2 Å²	89.2	38%	0.379	51%	0.505	S	S	.	.			trans	-85.2	119.6	-179.5	-73.3	161.7	0	0	0	110	Q383 K387	Q383-I385 WeakPolarHBondContact O-CG1 3.39Å; Q383-I385 PolarHBondContact O-N 3.39Å; I385-K387 HydrophobicContact CG2-CG 4.44Å
386	F	86.9	Confident	69	Low	11 Å²	11	94 Å²	94	5%	0.048	51%	0.511	C	S	.	.			trans	-71.5	133.4	178.5	-79.7	-101.1	0	0	0	111.6	I608 K615 F617 Q637 L639 L656 W668 T669	F386-I608 HydrophobicContact CE1-CD1 4.16Å; F386-I608 HydrophobicContact CZ-CD1 3.77Å; F386-K615 HydrophobicContact CE2-CD 4.48Å; F386-F617 HydrophobicContact CD1-CE1 4.3Å; F386-F617 HydrophobicContact CD2-CE1 4Å; F386-F617 HydrophobicContact CD2-CZ 4.2Å; F386-F617 HydrophobicContact CE1-CE1 4.22Å; F386-F617 HydrophobicContact CE1-CZ 4.12Å; F386-F617 AromaticContact CE2-CE1 3.92Å; F386-F617 HydrophobicContact CE2-CE1 3.92Å; F386-F617 AromaticContact CE2-CZ 3.63Å; F386-F617 HydrophobicContact CE2-CZ 3.63Å; F386-F617 HydrophobicContact CG-CE1 4.21Å; F386-F617 HydrophobicContact CZ-CE1 4.04Å; F386-F617 AromaticContact CZ-CZ 3.6Å; F386-F617 HydrophobicContact CZ-CZ 3.6Å; F386-Q637 PolarHBondContact O-NE2 2.9Å; F386-L639 HydrophobicContact CB-CD1 4.16Å; F386-L639 HydrophobicContact CB-CD2 4.16Å; F386-L639 WeakPolarHBondContact O-CD2 3.42Å; F386-L656 HydrophobicContact CE1-CB 4.4Å; F386-W668 HydrophobicContact CD1-CB 4.13Å; F386-T669 CarbonylContact C-O 3.56Å; F386-T669 WeakPolarHBondContact CA-O 3.32Å
387	K	87.6	Confident	71.6	Confident	115 Å²	115	86.7 Å²	86.7	50%	0.5	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	136.4	179.7	-67.8	163.7	-172.1	163	0	108.7	I385 K389 W668 T669	I385-K387 HydrophobicContact CG2-CG 4.44Å; K387-K389 PolarHBondContact O-N 3.02Å; K387-W668 WeakPolarHBondContact O-CA 3.42Å; K387-T669 PolarHBondContact N-O 2.82Å; K387-T669 PolarHBondContact O-N 3.01Å
388	C	89.9	Confident	74.7	Confident	43 Å²	43	79.8 Å²	79.8	29%	0.291	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	119.7	172.5	-176	0	0	0	0	108.5	G390 R641 V667 W668	C388-G390 PolarHBondContact SG-O 3.35Å; C388-R641 HydrophobicContact CB-CG 4.1Å; C388-V667 CarbonylContact C-O 3.57Å; C388-V667 WeakPolarHBondContact CA-O 3.32Å; C388-W668 HydrophobicContact CB-CD2 4.18Å; C388-W668 HydrophobicContact CB-CE3 3.67Å; C388-W668 HydrophobicContact CB-CH2 4.3Å; C388-W668 HydrophobicContact CB-CZ3 3.73Å
389	K	88.2	Confident	77.7	Confident	122 Å²	122	76.8 Å²	76.8	53%	0.53	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-20.7	178.8	-54.4	-67.2	-168.9	-179.2	0	112.5	K387 V667 T669 C670	K387-K389 PolarHBondContact O-N 3.02Å; K389-V667 PolarHBondContact N-O 3.45Å; K389-T669 WeakPolarHBondContact CE-OG1 3.48Å; K389-T669 HydrophobicContact CG-CG2 4.18Å; K389-C670 WeakPolarHBondContact CE-O 3.35Å; K389-C670 PolarHBondContact NZ-O 2.69Å; K389-C670 PolarHBondContact NZ-OXT 2.69Å
390	G	86.2	Confident	80.8	Confident	27 Å²	27	72.4 Å²	72.4	28%	0.278	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	166.4	-176.4	0	0	0	0	0	113.9	C388 V667	C388-G390 PolarHBondContact SG-O 3.35Å; G390-V667 PolarHBondContact O-N 2.83Å
391	T	91.4	Very high	83.9	Confident	63 Å²	63	61.6 Å²	61.6	39%	0.387	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	123	174.6	-64.6	0	0	0	0	109.2	V393 T664 V665 K666	T391-V393 HydrophobicContact CG2-CG2 3.85Å; T391-T664 HydrophobicContact CG2-CG2 4.02Å; T391-V665 CarbonylContact C-O 3.56Å; T391-V665 WeakPolarHBondContact CA-O 3.47Å; T391-K666 HydrophobicContact CG2-CG 4.18Å; T391-K666 VanDerWaalsContact CG2-NZ 3.31Å; T391-K666 PolarHBondContact OG1-NZ 2.9Å
392	F	90.6	Very high	86.8	Confident	11 Å²	11	56.8 Å²	56.8	5%	0.048	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	135.7	166.3	-57	-53.8	0	0	0	109.7	L411 W423 Y429 F657 T664 V665 V667	F392-L411 HydrophobicContact CD2-CD2 4.24Å; F392-L411 HydrophobicContact CE2-CD2 4Å; F392-W423 HydrophobicContact CB-CD2 3.89Å; F392-W423 HydrophobicContact CB-CE3 3.63Å; F392-W423 HydrophobicContact CB-CH2 4.04Å; F392-W423 HydrophobicContact CB-CZ2 4.25Å; F392-W423 HydrophobicContact CB-CZ3 3.71Å; F392-W423 HydrophobicContact CD1-CD2 4.33Å; F392-W423 AromaticContact CD1-CE3 3.8Å; F392-W423 HydrophobicContact CD1-CE3 3.8Å; F392-W423 HydrophobicContact CD1-CZ3 4.42Å; F392-W423 HydrophobicContact CD2-CB 4.37Å; F392-W423 HydrophobicContact CD2-CD2 4.31Å; F392-W423 HydrophobicContact CD2-CG 4.22Å; F392-W423 HydrophobicContact CE2-CB 4.23Å; F392-W423 AromaticContact CG-CD2 3.95Å; F392-W423 HydrophobicContact CG-CD2 3.95Å; F392-W423 AromaticContact CG-CE3 3.76Å; F392-W423 HydrophobicContact CG-CE3 3.76Å; F392-W423 HydrophobicContact CG-CG 4.3Å; F392-W423 HydrophobicContact CG-CZ3 4.32Å; F392-W423 HydrophobicContact CZ-CB 4.3Å; F392-Y429 HydrophobicContact CE1-CD1 4.16Å; F392-Y429 HydrophobicContact CZ-CD1 4.22Å; F392-F657 HydrophobicContact CE2-CD1 4.28Å; F392-F657 HydrophobicContact CE2-CE1 4.21Å; F392-T664 WeakPolarHBondContact O-CA 3.35Å; F392-V665 HydrophobicContact CB-CB 4.22Å; F392-V665 HydrophobicContact CD2-CB 4.16Å; F392-V665 HydrophobicContact CD2-CG1 4.19Å; F392-V665 PolarHBondContact N-O 2.97Å; F392-V665 PolarHBondContact O-N 2.91Å; F392-V667 HydrophobicContact CD2-CG2 4.19Å; F392-V667 HydrophobicContact CE2-CG2 3.65Å; F392-V667 HydrophobicContact CZ-CG2 3.97Å
393	V	90.8	Very high	89.1	Confident	104 Å²	104	51.9 Å²	51.9	63%	0.63	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135	139.6	-178.1	-175	0	0	0	0	108.3	T391 W423 T664	T391-V393 HydrophobicContact CG2-CG2 3.85Å; V393-W423 WeakPolarHBondContact O-CH2 3.38Å; V393-T664 HydrophobicContact CG2-CG2 4.14Å
394	G	86.6	Confident	91	Very high	28 Å²	28	45.2 Å²	45.2	29%	0.289	24%	0.243	S	C	.	.			trans	153.9	-15.1	175.4	0	0	0	0	0	115.6	Q396 K421	G394-Q396 PolarHBondContact O-NE2 2.74Å; G394-K421 VanDerWaalsContact O-CE 3.29Å; G394-K421 WeakPolarHBondContact O-CE 3.36Å
395	H	95.9	Very high	92.3	Very high	10 Å²	10	42.8 Å²	42.8	5%	0.046	23%	0.231	C	C	.	.			trans	-66.6	147.1	165.5	-84.2	-66.6	0	0	0	110.9	V399 S413 S415 D417 K421	H395-V399 HydrophobicContact CB-CG2 4.2Å; H395-S413 PolarHBondContact CD2-OG 2.92Å; H395-S413 PolarHBondContact CE1-O 3.39Å; H395-S413 PolarHBondContact NE2-O 3.46Å; H395-S413 VanDerWaalsContact NE2-O 3.1Å; H395-S413 PolarHBondContact NE2-OG 3.42Å; H395-S415 VanDerWaalsContact CE1-CB 3.44Å; H395-S415 WeakPolarHBondContact CE1-CB 3.47Å; H395-S415 WeakPolarHBondContact ND1-CB 3.23Å; H395-D417 VanDerWaalsContact CA-OD2 3.24Å; H395-D417 WeakPolarHBondContact CA-OD2 3.5Å; H395-D417 WeakPolarHBondContact CB-OD2 3.24Å; H395-D417 IonicContact CE1-OD1 2.69Å; H395-D417 IonicContact CE1-OD2 3.51Å; H395-D417 IonicContact CG-OD2 2.69Å; H395-D417 IonicContact ND1-OD1 2.74Å; H395-D417 PolarHBondContact ND1-OD1 3.46Å; H395-D417 IonicContact ND1-OD2 3.91Å; H395-D417 PolarHBondContact ND1-OD2 2.82Å; H395-K421 WeakPolarHBondContact ND1-CE 3.49Å
396	Q	95.4	Very high	92.1	Very high	162 Å²	162	41.5 Å²	41.5	76%	0.757	23%	0.228	S	C	*	.	S	Bend	trans	-99	10.3	179.7	-55.2	-54.8	-61.5	0	0	112.6	G394 D417	G394-Q396 PolarHBondContact O-NE2 2.74Å; Q396-D417 HydrophobicContact CB-CB 4.02Å; Q396-D417 PolarHBondContact N-OD2 3.21Å
397	G	96	Very high	91.7	Very high	7 Å²	7	47.9 Å²	47.9	7%	0.072	26%	0.26	C	S	.	.	S	Bend	trans	-167.9	172.7	173.4	0	0	0	0	0	112.4	V399 S415 S663	G397-V399 PolarHBondContact O-N 3.06Å; G397-S415 PolarHBondContact O-OG 2.85Å; G397-S663 VanDerWaalsContact CA-OG 3.23Å; G397-S663 WeakPolarHBondContact CA-OG 3.34Å; G397-S663 WeakPolarHBondContact O-CB 3.3Å; G397-S663 PolarHBondContact O-OG 2.85Å
398	P	98.2	Very high	90.9	Very high	30 Å²	30	44.1 Å²	44.1	20%	0.195	25%	0.254	C	S	.	.			trans	-33.9	123.3	177	-37.6	35.7	0	0	0	114.8	W400 S415 S416 V661	P398-W400 HydrophobicContact CB-CD2 4.37Å; P398-W400 HydrophobicContact CB-CZ2 3.85Å; P398-W400 HydrophobicContact CG-CZ2 4.42Å; P398-W400 VanDerWaalsContact O-CD1 3.28Å; P398-W400 PolarHBondContact O-N 3.13Å; P398-S415 VanDerWaalsContact O-CA 3.23Å; P398-S415 WeakPolarHBondContact O-CA 3.39Å; P398-S415 WeakPolarHBondContact O-CB 3.31Å; P398-S415 PolarHBondContact O-OG 2.87Å; P398-S416 VanDerWaalsContact CD-OG 3.29Å; P398-S416 WeakPolarHBondContact CD-OG 3.34Å; P398-S416 PolarHBondContact O-N 3.16Å; P398-S416 VanDerWaalsContact O-N 3.1Å; P398-V661 HydrophobicContact CB-CG2 4.42Å; P398-V661 HydrophobicContact CG-CB 4.38Å; P398-V661 HydrophobicContact CG-CG1 4.04Å
399	V	98.5	Very high	90.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	110.8	171.8	-179.3	0	0	0	0	107.2	H395 G397 L402 G414 T647 A660 V665	H395-V399 HydrophobicContact CB-CG2 4.2Å; G397-V399 PolarHBondContact O-N 3.06Å; V399-L402 HydrophobicContact CG1-CD2 3.93Å; V399-G414 CarbonylContact C-O 3.52Å; V399-T647 PolarHBondContact O-OG1 2.62Å; V399-A660 PolarHBondContact N-O 2.81Å; V399-V665 HydrophobicContact CB-CG2 4.36Å; V399-V665 HydrophobicContact CG1-CG2 3.93Å; V399-V665 HydrophobicContact CG2-CG2 3.98Å
400	W	97.9	Very high	90.9	Very high	33 Å²	33	38.4 Å²	38.4	13%	0.125	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-21	-176.8	-69.3	108	0	0	0	113.1	F34 G35 P36 P398 G414 I441 T647 V661	F34-W400 CarbonylContact C-O 3.54Å; G35-W400 WeakPolarHBondContact CA-O 3.45Å; G35-W400 PolarHBondContact N-O 2.95Å; G35-W400 VanDerWaalsContact N-O 3.09Å; P36-W400 HydrophobicContact CB-CE3 4.22Å; P36-W400 HydrophobicContact CB-CH2 4.17Å; P36-W400 HydrophobicContact CB-CZ3 3.61Å; P36-W400 VanDerWaalsContact CD-CZ3 3.46Å; P36-W400 HydrophobicContact CG-CE3 4.29Å; P36-W400 HydrophobicContact CG-CZ3 3.72Å; P398-W400 HydrophobicContact CB-CD2 4.37Å; P398-W400 HydrophobicContact CB-CZ2 3.85Å; P398-W400 HydrophobicContact CG-CZ2 4.42Å; P398-W400 VanDerWaalsContact O-CD1 3.28Å; P398-W400 PolarHBondContact O-N 3.13Å; W400-G414 PolarHBondContact N-O 3.39Å; W400-I441 HydrophobicContact CG-CG2 3.95Å; W400-T647 HydrophobicContact CE3-CG2 3.6Å; W400-T647 HydrophobicContact CH2-CG2 4.47Å; W400-T647 HydrophobicContact CZ3-CG2 3.44Å; W400-T647 VanDerWaalsContact CZ3-CG2 3.44Å; W400-V661 HydrophobicContact CH2-CG2 4.33Å
401	C	97.8	Very high	91.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	142.2	-171.1	67.2	0	0	0	0	112.5	T33 S413 G414 V442 L443	T33-C401 HydrophobicContact CG2-CB 3.48Å; T33-C401 VanDerWaalsContact CG2-CB 3.48Å; C401-S413 CarbonylContact O-C 3.56Å; C401-S413 VanDerWaalsContact O-CA 3.25Å; C401-S413 WeakPolarHBondContact O-CA 3.11Å; C401-G414 PolarHBondContact N-O 3.1Å; C401-G414 PolarHBondContact O-N 2.85Å; C401-G414 WeakPolarHBondContact SG-CA 3.31Å; C401-V442 PolarHBondContact SG-O 2.8Å; C401-L443 WeakPolarHBondContact CB-O 3.49Å
402	L	98	Very high	91.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	135.2	-177.4	-67.4	-173	0	0	0	112.2	T33 V399 L411 F412 S413 A648 A650 F657 G659 V665	T33-L402 VanDerWaalsContact CG2-N 3.27Å; T33-L402 WeakPolarHBondContact CG2-O 3.22Å; T33-L402 PolarHBondContact OG1-O 2.83Å; V399-L402 HydrophobicContact CG1-CD2 3.93Å; L402-L411 HydrophobicContact CB-CD1 4.2Å; L402-L411 HydrophobicContact CD2-CD1 4.27Å; L402-L411 HydrophobicContact CD2-CD2 4.45Å; L402-F412 WeakPolarHBondContact CA-O 3.48Å; L402-S413 VanDerWaalsContact CD2-CB 3.41Å; L402-A648 HydrophobicContact CB-CB 4.29Å; L402-A648 HydrophobicContact CG-CB 3.93Å; L402-A650 HydrophobicContact CB-CB 3.72Å; L402-A650 HydrophobicContact CD1-CB 4.4Å; L402-F657 HydrophobicContact CD1-CB 3.93Å; L402-G659 VanDerWaalsContact CD1-N 3.35Å; L402-V665 HydrophobicContact CD1-CG1 3.93Å; L402-V665 HydrophobicContact CD2-CG1 3.95Å; L402-V665 HydrophobicContact CD2-CG2 3.85Å
403	C	96	Very high	92.1	Very high	7 Å²	7	33.7 Å²	33.7	5%	0.047	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	131	174.5	-172.8	0	0	0	0	111.1	T33 F412 L445	T33-C403 HydrophobicContact CG2-CB 4.34Å; C403-F412 PolarHBondContact N-O 3.01Å; C403-F412 PolarHBondContact O-N 3.12Å; C403-L445 HydrophobicContact CB-CB 3.87Å
404	V	92.9	Very high	92.4	Very high	8 Å²	8	28.7 Å²	28.7	5%	0.048	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	136.5	-178.7	-173.9	0	0	0	0	112.3	E31 S406 L410 L411 A650 F657	E31-V404 WeakPolarHBondContact OE1-CB 3.45Å; E31-V404 WeakPolarHBondContact OE2-CB 3.43Å; E31-V404 WeakPolarHBondContact OE2-CG2 3.46Å; E31-V404 PolarHBondContact OE2-N 3.46Å; V404-S406 PolarHBondContact O-N 2.85Å; V404-L410 CarbonylContact C-O 3.57Å; V404-L410 WeakPolarHBondContact CA-O 3.19Å; V404-L410 WeakPolarHBondContact CG1-O 3.45Å; V404-L411 HydrophobicContact CG2-CB 4.38Å; V404-L411 HydrophobicContact CG2-CD1 3.56Å; V404-A650 HydrophobicContact CG2-CB 4.09Å; V404-F657 HydrophobicContact CG2-CD2 4.01Å; V404-F657 HydrophobicContact CG2-CE2 4.12Å
405	Y	92.1	Very high	93	Very high	44 Å²	44	27.4 Å²	27.4	17%	0.173	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	90	165.3	-174.5	-126	0	0	0	110.3	M407 G408 D409 L410 I447 G449 I466	Y405-M407 HydrophobicContact CE1-CB 4.08Å; Y405-M407 HydrophobicContact CE2-CB 4.16Å; Y405-M407 PolarHBondContact O-N 3.37Å; Y405-M407 VanDerWaalsContact O-N 3.09Å; Y405-G408 PolarHBondContact O-N 3.19Å; Y405-G408 VanDerWaalsContact O-N 3.1Å; Y405-D409 PolarHBondContact O-N 3.11Å; Y405-L410 PolarHBondContact N-O 3.08Å; Y405-I447 HydrophobicContact CD2-CD1 4.44Å; Y405-I447 HydrophobicContact CD2-CG2 4.09Å; Y405-G449 WeakPolarHBondContact CE2-O 3.41Å; Y405-I466 HydrophobicContact CD1-CG2 3.7Å; Y405-I466 HydrophobicContact CD2-CD1 4.08Å; Y405-I466 HydrophobicContact CD2-CG2 4.46Å; Y405-I466 HydrophobicContact CE1-CG2 3.74Å; Y405-I466 HydrophobicContact CE2-CD1 4.3Å; Y405-I466 HydrophobicContact CE2-CG2 4.48Å; Y405-I466 HydrophobicContact CG-CD1 4.45Å; Y405-I466 HydrophobicContact CG-CG2 4.08Å
406	S	76.3	Confident	93.1	Very high	46 Å²	46	28.7 Å²	28.7	32%	0.322	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.4	-173.2	59.2	0	0	0	0	115.5	V404 R653	V404-S406 PolarHBondContact O-N 2.85Å; S406-R653 PolarHBondContact O-NH2 3.1Å
407	M	79	Confident	93.2	Very high	145 Å²	145	22.5 Å²	22.5	71%	0.714	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-30.2	176.8	-65	-63	-169.8	0	0	113.6	Y405	Y405-M407 HydrophobicContact CE1-CB 4.08Å; Y405-M407 HydrophobicContact CE2-CB 4.16Å; Y405-M407 PolarHBondContact O-N 3.37Å; Y405-M407 VanDerWaalsContact O-N 3.09Å
408	G	70.8	Confident	93.3	Very high	37 Å²	37	26.9 Å²	26.9	38%	0.381	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	4.4	-177.4	0	0	0	0	0	114.8	Y405 L410	Y405-G408 PolarHBondContact O-N 3.19Å; Y405-G408 VanDerWaalsContact O-N 3.1Å; G408-L410 PolarHBondContact O-N 2.68Å; G408-L410 VanDerWaalsContact O-N 3.14Å
409	D	85.3	Confident	93.3	Very high	26 Å²	26	26.3 Å²	26.3	14%	0.139	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	25.4	-176	-76.4	-56.8	0	0	0	115.1	Y405 T425 C426 R653 R655	Y405-D409 PolarHBondContact O-N 3.11Å; D409-T425 WeakPolarHBondContact O-CB 3.48Å; D409-T425 PolarHBondContact O-N 3.46Å; D409-T425 PolarHBondContact O-OG1 2.93Å; D409-C426 HydrophobicContact CB-CB 3.86Å; D409-C426 PolarHBondContact OD1-SG 2.9Å; D409-R653 VanDerWaalsContact CG-CZ 3.41Å; D409-R653 VanDerWaalsContact CG-NH2 3.26Å; D409-R653 IonicContact OD1-CZ 3.47Å; D409-R653 IonicContact OD1-NE 2.78Å; D409-R653 IonicContact OD1-NH1 3.99Å; D409-R653 PolarHBondContact OD1-NH1 3.14Å; D409-R653 IonicContact OD1-NH2 3.48Å; D409-R653 PolarHBondContact OD1-NH2 3.24Å; D409-R653 IonicContact OD2-CZ 2.71Å; D409-R653 IonicContact OD2-NH1 3.2Å; D409-R653 PolarHBondContact OD2-NH1 2.63Å; D409-R653 IonicContact OD2-NH2 3.84Å; D409-R653 PolarHBondContact OD2-NH2 2.76Å; D409-R655 IonicContact OD1-NH2 2.89Å; D409-R655 PolarHBondContact OD1-NH2 3.01Å
410	L	93.1	Very high	93.4	Very high	19 Å²	19	26.3 Å²	26.3	10%	0.099	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	133	176.2	-53.6	-177.7	0	0	0	110.9	V404 Y405 G408 F412 V422 W423 Q432	V404-L410 CarbonylContact C-O 3.57Å; V404-L410 WeakPolarHBondContact CA-O 3.19Å; V404-L410 WeakPolarHBondContact CG1-O 3.45Å; Y405-L410 PolarHBondContact N-O 3.08Å; G408-L410 PolarHBondContact O-N 2.68Å; G408-L410 VanDerWaalsContact O-N 3.14Å; L410-F412 HydrophobicContact CB-CE2 3.97Å; L410-F412 HydrophobicContact CB-CZ 4.37Å; L410-F412 HydrophobicContact CD1-CE2 4.49Å; L410-F412 HydrophobicContact CD1-CZ 4.17Å; L410-V422 HydrophobicContact CB-CG1 4.21Å; L410-V422 HydrophobicContact CD1-CG1 3.98Å; L410-V422 HydrophobicContact CD2-CG1 4.36Å; L410-V422 HydrophobicContact CG-CG1 4.42Å; L410-W423 CarbonylContact C-O 3.57Å; L410-W423 WeakPolarHBondContact CA-O 3.24Å; L410-Q432 VanDerWaalsContact CD2-OE1 3.23Å
411	L	96.1	Very high	93.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	130.1	164.7	170.5	69	0	0	0	109.1	F392 L402 V404 W423 T425 A650 F657 V665	F392-L411 HydrophobicContact CD2-CD2 4.24Å; F392-L411 HydrophobicContact CE2-CD2 4Å; L402-L411 HydrophobicContact CB-CD1 4.2Å; L402-L411 HydrophobicContact CD2-CD1 4.27Å; L402-L411 HydrophobicContact CD2-CD2 4.45Å; V404-L411 HydrophobicContact CG2-CB 4.38Å; V404-L411 HydrophobicContact CG2-CD1 3.56Å; L411-W423 HydrophobicContact CB-CB 4.34Å; L411-W423 PolarHBondContact N-O 2.95Å; L411-W423 PolarHBondContact O-N 3.41Å; L411-T425 HydrophobicContact CB-CG2 3.47Å; L411-T425 VanDerWaalsContact CB-CG2 3.47Å; L411-A650 HydrophobicContact CD1-CB 4.35Å; L411-F657 HydrophobicContact CD2-CB 4.12Å; L411-F657 HydrophobicContact CD2-CD1 3.66Å; L411-F657 HydrophobicContact CD2-CE1 4.27Å; L411-F657 HydrophobicContact CD2-CG 3.96Å; L411-V665 HydrophobicContact CD2-CG1 3.92Å
412	F	98.1	Very high	93.4	Very high	1 Å²	1	25.9 Å²	25.9	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	132.1	170.7	-63.9	-91.8	0	0	0	109.5	L402 C403 L410 I420 K421 V422 L435 L445 I447 L452 I466 L469	L402-F412 WeakPolarHBondContact CA-O 3.48Å; C403-F412 PolarHBondContact N-O 3.01Å; C403-F412 PolarHBondContact O-N 3.12Å; L410-F412 HydrophobicContact CB-CE2 3.97Å; L410-F412 HydrophobicContact CB-CZ 4.37Å; L410-F412 HydrophobicContact CD1-CE2 4.49Å; L410-F412 HydrophobicContact CD1-CZ 4.17Å; F412-I420 HydrophobicContact CB-CG2 4.08Å; F412-I420 HydrophobicContact CD1-CG2 4.13Å; F412-K421 WeakPolarHBondContact CA-O 3.41Å; F412-V422 HydrophobicContact CD1-CB 4.41Å; F412-V422 HydrophobicContact CD1-CG1 4.25Å; F412-V422 HydrophobicContact CD1-CG2 3.77Å; F412-V422 HydrophobicContact CE1-CB 4.23Å; F412-V422 HydrophobicContact CE1-CG1 3.76Å; F412-V422 HydrophobicContact CE1-CG2 3.56Å; F412-V422 HydrophobicContact CZ-CG1 4.03Å; F412-L435 HydrophobicContact CD1-CD1 4.43Å; F412-L435 HydrophobicContact CE1-CD1 4.34Å; F412-L445 HydrophobicContact CB-CD1 3.98Å; F412-I447 HydrophobicContact CD2-CD1 3.94Å; F412-I447 HydrophobicContact CE2-CD1 4.08Å; F412-L452 HydrophobicContact CB-CD1 4.46Å; F412-L452 HydrophobicContact CB-CD2 4.44Å; F412-L452 HydrophobicContact CD1-CD2 3.49Å; F412-L452 VanDerWaalsContact CD1-CD2 3.49Å; F412-L452 HydrophobicContact CD2-CD1 4.46Å; F412-L452 HydrophobicContact CE1-CD2 3.81Å; F412-L452 HydrophobicContact CG-CD1 4.27Å; F412-L452 HydrophobicContact CG-CD2 3.94Å; F412-I466 HydrophobicContact CZ-CG1 4.35Å; F412-I466 HydrophobicContact CZ-CG2 4.26Å; F412-L469 HydrophobicContact CE1-CD2 3.99Å; F412-L469 HydrophobicContact CZ-CD2 4.08Å
413	S	98.4	Very high	93.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	126.3	174.2	64.8	0	0	0	0	111.9	H395 C401 L402 I420 K421 W423	H395-S413 PolarHBondContact CD2-OG 2.92Å; H395-S413 PolarHBondContact CE1-O 3.39Å; H395-S413 PolarHBondContact NE2-O 3.46Å; H395-S413 VanDerWaalsContact NE2-O 3.1Å; H395-S413 PolarHBondContact NE2-OG 3.42Å; C401-S413 CarbonylContact O-C 3.56Å; C401-S413 VanDerWaalsContact O-CA 3.25Å; C401-S413 WeakPolarHBondContact O-CA 3.11Å; L402-S413 VanDerWaalsContact CD2-CB 3.41Å; S413-I420 CarbonylContact O-C 3.59Å; S413-I420 VanDerWaalsContact O-CA 3.23Å; S413-I420 WeakPolarHBondContact O-CA 3.44Å; S413-K421 PolarHBondContact N-O 3.33Å; S413-K421 PolarHBondContact O-N 2.8Å; S413-W423 PolarHBondContact OG-NE1 3.02Å
414	G	98.5	Very high	93	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	147.1	175.1	0	0	0	0	0	112	V399 W400 C401	V399-G414 CarbonylContact C-O 3.52Å; W400-G414 PolarHBondContact N-O 3.39Å; C401-G414 PolarHBondContact N-O 3.1Å; C401-G414 PolarHBondContact O-N 2.85Å; C401-G414 WeakPolarHBondContact SG-CA 3.31Å
415	S	98.6	Very high	92.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	167.6	-170.5	169.3	0	0	0	0	113.2	H395 G397 P398 D417 K418 T419 V442	H395-S415 VanDerWaalsContact CE1-CB 3.44Å; H395-S415 WeakPolarHBondContact CE1-CB 3.47Å; H395-S415 WeakPolarHBondContact ND1-CB 3.23Å; G397-S415 PolarHBondContact O-OG 2.85Å; P398-S415 VanDerWaalsContact O-CA 3.23Å; P398-S415 WeakPolarHBondContact O-CA 3.39Å; P398-S415 WeakPolarHBondContact O-CB 3.31Å; P398-S415 PolarHBondContact O-OG 2.87Å; S415-D417 WeakPolarHBondContact CB-OD1 3.21Å; S415-D417 PolarHBondContact O-N 3.22Å; S415-D417 PolarHBondContact OG-N 2.99Å; S415-D417 PolarHBondContact OG-OD1 2.84Å; S415-K418 PolarHBondContact O-N 3.14Å; S415-T419 PolarHBondContact N-O 2.99Å; S415-V442 PolarHBondContact O-N 3.4Å; S415-V442 VanDerWaalsContact O-N 3.08Å
416	S	98.3	Very high	92.2	Very high	37 Å²	37	25.8 Å²	25.8	26%	0.259	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-9.5	165.1	51	0	0	0	0	114.2	P398 K418	P398-S416 VanDerWaalsContact CD-OG 3.29Å; P398-S416 WeakPolarHBondContact CD-OG 3.34Å; P398-S416 PolarHBondContact O-N 3.16Å; P398-S416 VanDerWaalsContact O-N 3.1Å; S416-K418 PolarHBondContact O-N 3.36Å
417	D	97.9	Very high	92.4	Very high	33 Å²	33	29.1 Å²	29.1	18%	0.176	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	4.9	165.2	73	17.2	0	0	0	113.5	H395 Q396 S415 T419	H395-D417 VanDerWaalsContact CA-OD2 3.24Å; H395-D417 WeakPolarHBondContact CA-OD2 3.5Å; H395-D417 WeakPolarHBondContact CB-OD2 3.24Å; H395-D417 IonicContact CE1-OD1 2.69Å; H395-D417 IonicContact CE1-OD2 3.51Å; H395-D417 IonicContact CG-OD2 2.69Å; H395-D417 IonicContact ND1-OD1 2.74Å; H395-D417 PolarHBondContact ND1-OD1 3.46Å; H395-D417 IonicContact ND1-OD2 3.91Å; H395-D417 PolarHBondContact ND1-OD2 2.82Å; Q396-D417 HydrophobicContact CB-CB 4.02Å; Q396-D417 PolarHBondContact N-OD2 3.21Å; S415-D417 WeakPolarHBondContact CB-OD1 3.21Å; S415-D417 PolarHBondContact O-N 3.22Å; S415-D417 PolarHBondContact OG-N 2.99Å; S415-D417 PolarHBondContact OG-OD1 2.84Å; D417-T419 PolarHBondContact O-N 2.83Å; D417-T419 WeakPolarHBondContact OD1-CB 3.35Å; D417-T419 PolarHBondContact OD1-N 3.42Å; D417-T419 PolarHBondContact OD1-OG1 3.2Å
418	K	98.3	Very high	92.5	Very high	99 Å²	99	25.5 Å²	25.5	43%	0.43	15%	0.152	S	C	.	.	S	Bend	trans	68.3	1.1	179.5	-42.5	-179.7	180	-163.3	0	114.8	S415 S416 D439 G440	S415-K418 PolarHBondContact O-N 3.14Å; S416-K418 PolarHBondContact O-N 3.36Å; K418-D439 WeakPolarHBondContact CD-O 3.17Å; K418-D439 WeakPolarHBondContact CE-O 3.45Å; K418-D439 PolarHBondContact NZ-O 2.85Å; K418-G440 WeakPolarHBondContact CA-O 3.38Å; K418-G440 WeakPolarHBondContact CB-O 3.32Å; K418-G440 WeakPolarHBondContact CG-O 3.47Å
419	T	98.4	Very high	93.1	Very high	17 Å²	17	29.7 Å²	29.7	10%	0.104	16%	0.157	C	C	.	.			trans	-99.3	161.3	-179.2	77.7	0	0	0	0	112.4	S415 D417 T434 L435 E436	S415-T419 PolarHBondContact N-O 2.99Å; D417-T419 PolarHBondContact O-N 2.83Å; D417-T419 WeakPolarHBondContact OD1-CB 3.35Å; D417-T419 PolarHBondContact OD1-N 3.42Å; D417-T419 PolarHBondContact OD1-OG1 3.2Å; T419-T434 VanDerWaalsContact CB-CG2 3.45Å; T419-T434 HydrophobicContact CG2-CG2 3.74Å; T419-L435 WeakPolarHBondContact CA-O 3.37Å; T419-E436 HydrophobicContact CG2-CG 4.05Å
420	I	98.8	Very high	93.2	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	124.5	163.7	-52.2	161.7	0	0	0	107.4	F412 S413 T434 L435 V442 L445 L452 W464	F412-I420 HydrophobicContact CB-CG2 4.08Å; F412-I420 HydrophobicContact CD1-CG2 4.13Å; S413-I420 CarbonylContact O-C 3.59Å; S413-I420 VanDerWaalsContact O-CA 3.23Å; S413-I420 WeakPolarHBondContact O-CA 3.44Å; I420-T434 CarbonylContact O-C 3.52Å; I420-T434 WeakPolarHBondContact O-CA 3.5Å; I420-L435 HydrophobicContact CB-CB 4.12Å; I420-L435 HydrophobicContact CB-CD1 4.17Å; I420-L435 HydrophobicContact CB-CG 4.3Å; I420-L435 HydrophobicContact CD1-CD1 4.4Å; I420-L435 HydrophobicContact CG2-CD1 4.27Å; I420-L435 PolarHBondContact N-O 3.35Å; I420-L435 PolarHBondContact O-N 3.02Å; I420-V442 HydrophobicContact CD1-CG1 4.47Å; I420-V442 HydrophobicContact CG1-CG1 4.09Å; I420-V442 HydrophobicContact CG1-CG2 4.26Å; I420-L445 HydrophobicContact CD1-CD2 3.75Å; I420-L445 HydrophobicContact CG1-CD2 4.09Å; I420-L445 HydrophobicContact CG2-CD1 4.21Å; I420-L445 HydrophobicContact CG2-CD2 4.19Å; I420-L452 HydrophobicContact CD1-CD2 4.45Å; I420-W464 HydrophobicContact CD1-CZ2 3.87Å
421	K	98.3	Very high	93.2	Very high	24 Å²	24	36.8 Å²	36.8	10%	0.104	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	136.4	174.2	-68.7	179.9	-166.9	-70.2	0	110.6	G394 H395 F412 S413 W423 T434	G394-K421 VanDerWaalsContact O-CE 3.29Å; G394-K421 WeakPolarHBondContact O-CE 3.36Å; H395-K421 WeakPolarHBondContact ND1-CE 3.49Å; F412-K421 WeakPolarHBondContact CA-O 3.41Å; S413-K421 PolarHBondContact N-O 3.33Å; S413-K421 PolarHBondContact O-N 2.8Å; K421-W423 HydrophobicContact CB-CZ2 3.7Å; K421-W423 HydrophobicContact CD-CH2 4.3Å; K421-W423 HydrophobicContact CD-CZ2 3.87Å; K421-W423 HydrophobicContact CG-CZ2 4.38Å; K421-T434 HydrophobicContact CG-CG2 4.16Å; K421-T434 PolarHBondContact NZ-OG1 3.37Å
422	V	97.8	Very high	93.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	116.6	179.6	-167.5	0	0	0	0	107.3	L410 F412 C431 Q432 K433 L435 L469	L410-V422 HydrophobicContact CB-CG1 4.21Å; L410-V422 HydrophobicContact CD1-CG1 3.98Å; L410-V422 HydrophobicContact CD2-CG1 4.36Å; L410-V422 HydrophobicContact CG-CG1 4.42Å; F412-V422 HydrophobicContact CD1-CB 4.41Å; F412-V422 HydrophobicContact CD1-CG1 4.25Å; F412-V422 HydrophobicContact CD1-CG2 3.77Å; F412-V422 HydrophobicContact CE1-CB 4.23Å; F412-V422 HydrophobicContact CE1-CG1 3.76Å; F412-V422 HydrophobicContact CE1-CG2 3.56Å; F412-V422 HydrophobicContact CZ-CG1 4.03Å; V422-C431 CarbonylContact O-C 3.6Å; V422-C431 WeakPolarHBondContact O-CA 3.39Å; V422-Q432 PolarHBondContact O-N 3.04Å; V422-K433 HydrophobicContact CB-CB 4.17Å; V422-K433 HydrophobicContact CG2-CB 4.02Å; V422-K433 PolarHBondContact N-O 2.87Å; V422-L435 HydrophobicContact CG2-CD1 4.15Å; V422-L435 HydrophobicContact CG2-CD2 4.08Å; V422-L435 HydrophobicContact CG2-CG 3.96Å; V422-L469 HydrophobicContact CB-CD1 4.49Å; V422-L469 HydrophobicContact CG1-CD1 4.18Å; V422-L469 HydrophobicContact CG1-CD2 4.3Å; V422-L469 HydrophobicContact CG2-CD1 4.33Å; V422-L469 HydrophobicContact CG2-CD2 4.26Å
423	W	95.5	Very high	93	Very high	8 Å²	8	46 Å²	46	3%	0.03	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	133.4	-177.5	-49.3	89.1	0	0	0	110.4	F392 V393 L410 L411 S413 K421 K430 C431	F392-W423 HydrophobicContact CB-CD2 3.89Å; F392-W423 HydrophobicContact CB-CE3 3.63Å; F392-W423 HydrophobicContact CB-CH2 4.04Å; F392-W423 HydrophobicContact CB-CZ2 4.25Å; F392-W423 HydrophobicContact CB-CZ3 3.71Å; F392-W423 HydrophobicContact CD1-CD2 4.33Å; F392-W423 AromaticContact CD1-CE3 3.8Å; F392-W423 HydrophobicContact CD1-CE3 3.8Å; F392-W423 HydrophobicContact CD1-CZ3 4.42Å; F392-W423 HydrophobicContact CD2-CB 4.37Å; F392-W423 HydrophobicContact CD2-CD2 4.31Å; F392-W423 HydrophobicContact CD2-CG 4.22Å; F392-W423 HydrophobicContact CE2-CB 4.23Å; F392-W423 AromaticContact CG-CD2 3.95Å; F392-W423 HydrophobicContact CG-CD2 3.95Å; F392-W423 AromaticContact CG-CE3 3.76Å; F392-W423 HydrophobicContact CG-CE3 3.76Å; F392-W423 HydrophobicContact CG-CG 4.3Å; F392-W423 HydrophobicContact CG-CZ3 4.32Å; F392-W423 HydrophobicContact CZ-CB 4.3Å; V393-W423 WeakPolarHBondContact O-CH2 3.38Å; L410-W423 CarbonylContact C-O 3.57Å; L410-W423 WeakPolarHBondContact CA-O 3.24Å; L411-W423 HydrophobicContact CB-CB 4.34Å; L411-W423 PolarHBondContact N-O 2.95Å; L411-W423 PolarHBondContact O-N 3.41Å; S413-W423 PolarHBondContact OG-NE1 3.02Å; K421-W423 HydrophobicContact CB-CZ2 3.7Å; K421-W423 HydrophobicContact CD-CH2 4.3Å; K421-W423 HydrophobicContact CD-CZ2 3.87Å; K421-W423 HydrophobicContact CG-CZ2 4.38Å; W423-K430 WeakPolarHBondContact CA-O 3.4Å; W423-C431 HydrophobicContact CD2-CB 4.39Å; W423-C431 HydrophobicContact CE3-CB 3.74Å; W423-C431 HydrophobicContact CH2-CB 4.07Å; W423-C431 HydrophobicContact CZ3-CB 3.56Å
424	D	90.8	Very high	92.9	Very high	6 Å²	6	47.7 Å²	47.7	3%	0.032	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	125.9	162.7	-174.1	-26.9	0	0	0	109.3	C426 T427 T428 Y429 K430 Q432	D424-C426 PolarHBondContact OD1-N 3.17Å; D424-T427 PolarHBondContact OD1-N 3.24Å; D424-T427 PolarHBondContact OD2-OG1 3.47Å; D424-T428 WeakPolarHBondContact CB-OG1 3.45Å; D424-T428 VanDerWaalsContact CG-N 3.31Å; D424-T428 VanDerWaalsContact CG-OG1 3.24Å; D424-T428 WeakPolarHBondContact OD2-CB 3.3Å; D424-T428 PolarHBondContact OD2-N 2.94Å; D424-T428 PolarHBondContact OD2-OG1 3.23Å; D424-Y429 WeakPolarHBondContact O-CA 3.16Å; D424-K430 PolarHBondContact N-O 3.29Å; D424-Q432 HydrophobicContact CB-CG 4.14Å
425	T	87.6	Confident	92.9	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-101.7	-1.3	178.1	69.2	0	0	0	0	114.5	D409 L411 Y429 R655 F657	D409-T425 WeakPolarHBondContact O-CB 3.48Å; D409-T425 PolarHBondContact O-N 3.46Å; D409-T425 PolarHBondContact O-OG1 2.93Å; L411-T425 HydrophobicContact CB-CG2 3.47Å; L411-T425 VanDerWaalsContact CB-CG2 3.47Å; T425-Y429 WeakPolarHBondContact O-CE1 3.5Å; T425-Y429 VanDerWaalsContact O-CZ 3.31Å; T425-Y429 PolarHBondContact O-OH 3.28Å; T425-R655 PolarHBondContact O-NH1 3.46Å; T425-R655 PolarHBondContact OG1-NH2 3.49Å; T425-R655 VanDerWaalsContact OG1-NH2 3.07Å; T425-F657 HydrophobicContact CG2-CE1 3.8Å; T425-F657 HydrophobicContact CG2-CZ 3.75Å
426	C	81	Confident	92.9	Very high	43 Å²	43	54.6 Å²	54.6	29%	0.291	28%	0.276	S	S	.	.	S	Bend	trans	-132	-36.5	-170.4	-81.9	0	0	0	0	115.5	D409 D424 R655	D409-C426 HydrophobicContact CB-CB 3.86Å; D409-C426 PolarHBondContact OD1-SG 2.9Å; D424-C426 PolarHBondContact OD1-N 3.17Å; C426-R655 PolarHBondContact SG-NH1 3.39Å; C426-R655 PolarHBondContact SG-NH2 2.89Å; C426-R655 VanDerWaalsContact SG-NH2 3.45Å
427	T	79.4	Confident	92.8	Very high	115 Å²	115	54.7 Å²	54.7	71%	0.706	28%	0.282	S	S	*	.	S	Bend	trans	-108.9	-54.7	-171.3	86.6	0	0	0	0	112.9	D424	D424-T427 PolarHBondContact OD1-N 3.24Å; D424-T427 PolarHBondContact OD2-OG1 3.47Å
428	T	80.9	Confident	92.8	Very high	69 Å²	69	53.6 Å²	53.6	42%	0.423	28%	0.276	S	S	.	.	S	Bend	trans	-104.7	-18.6	-174.7	62.2	0	0	0	0	114.8	D424 K430	D424-T428 WeakPolarHBondContact CB-OG1 3.45Å; D424-T428 VanDerWaalsContact CG-N 3.31Å; D424-T428 VanDerWaalsContact CG-OG1 3.24Å; D424-T428 WeakPolarHBondContact OD2-CB 3.3Å; D424-T428 PolarHBondContact OD2-N 2.94Å; D424-T428 PolarHBondContact OD2-OG1 3.23Å; T428-K430 WeakPolarHBondContact O-CG 3.31Å; T428-K430 PolarHBondContact O-N 2.97Å
429	Y	84.1	Confident	92.8	Very high	126 Å²	126	55 Å²	55	49%	0.494	29%	0.289	S	S	.	.			trans	51.3	35.8	-174.6	-67.4	-87.9	0	0	0	114.1	F392 D424 T425	F392-Y429 HydrophobicContact CE1-CD1 4.16Å; F392-Y429 HydrophobicContact CZ-CD1 4.22Å; D424-Y429 WeakPolarHBondContact O-CA 3.16Å; T425-Y429 WeakPolarHBondContact O-CE1 3.5Å; T425-Y429 VanDerWaalsContact O-CZ 3.31Å; T425-Y429 PolarHBondContact O-OH 3.28Å
430	K	86.5	Confident	92.7	Very high	143 Å²	143	54.8 Å²	54.8	62%	0.622	29%	0.289	S	S	*	.	S	Bend	trans	-127.8	160.9	-174.4	-76.5	167.9	-173.3	178.1	0	112.1	W423 D424 T428 Q432	W423-K430 WeakPolarHBondContact CA-O 3.4Å; D424-K430 PolarHBondContact N-O 3.29Å; T428-K430 WeakPolarHBondContact O-CG 3.31Å; T428-K430 PolarHBondContact O-N 2.97Å; K430-Q432 PolarHBondContact O-N 3.47Å
431	C	93.4	Very high	92.7	Very high	50 Å²	50	57.1 Å²	57.1	34%	0.338	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	116.2	166.4	-172.9	0	0	0	0	108.8	V422 W423 K433	V422-C431 CarbonylContact O-C 3.6Å; V422-C431 WeakPolarHBondContact O-CA 3.39Å; W423-C431 HydrophobicContact CD2-CB 4.39Å; W423-C431 HydrophobicContact CE3-CB 3.74Å; W423-C431 HydrophobicContact CH2-CB 4.07Å; W423-C431 HydrophobicContact CZ3-CB 3.56Å; C431-K433 PolarHBondContact SG-O 3.41Å
432	Q	93.6	Very high	92.8	Very high	98 Å²	98	56 Å²	56	46%	0.458	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-36.7	174.3	-65.9	-176	-11.1	0	0	111.5	L410 V422 D424 K430	L410-Q432 VanDerWaalsContact CD2-OE1 3.23Å; V422-Q432 PolarHBondContact O-N 3.04Å; D424-Q432 HydrophobicContact CB-CG 4.14Å; K430-Q432 PolarHBondContact O-N 3.47Å
433	K	96.1	Very high	92.8	Very high	96 Å²	96	56 Å²	56	42%	0.417	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	148.3	-174.9	-168.5	64.9	179.5	-179.9	0	111.3	V422 C431 L435 L469	V422-K433 HydrophobicContact CB-CB 4.17Å; V422-K433 HydrophobicContact CG2-CB 4.02Å; V422-K433 PolarHBondContact N-O 2.87Å; C431-K433 PolarHBondContact SG-O 3.41Å; K433-L435 HydrophobicContact CG-CD2 3.76Å; K433-L469 HydrophobicContact CB-CD1 3.75Å; K433-L469 HydrophobicContact CG-CB 4.23Å; K433-L469 HydrophobicContact CG-CD1 4.16Å
434	T	98	Very high	92.9	Very high	36 Å²	36	55.6 Å²	55.6	22%	0.221	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	132.9	160.6	-58.3	0	0	0	0	107.8	T419 I420 K421 E436	T419-T434 VanDerWaalsContact CB-CG2 3.45Å; T419-T434 HydrophobicContact CG2-CG2 3.74Å; I420-T434 CarbonylContact O-C 3.52Å; I420-T434 WeakPolarHBondContact O-CA 3.5Å; K421-T434 HydrophobicContact CG-CG2 4.16Å; K421-T434 PolarHBondContact NZ-OG1 3.37Å; T434-E436 HydrophobicContact CG2-CG 4.11Å
435	L	98.3	Very high	93.2	Very high	6 Å²	6	55.3 Å²	55.3	3%	0.031	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	132.1	175	-41.7	179.1	0	0	0	108.3	F412 T419 I420 V422 K433 L452 W464 L469	F412-L435 HydrophobicContact CD1-CD1 4.43Å; F412-L435 HydrophobicContact CE1-CD1 4.34Å; T419-L435 WeakPolarHBondContact CA-O 3.37Å; I420-L435 HydrophobicContact CB-CB 4.12Å; I420-L435 HydrophobicContact CB-CD1 4.17Å; I420-L435 HydrophobicContact CB-CG 4.3Å; I420-L435 HydrophobicContact CD1-CD1 4.4Å; I420-L435 HydrophobicContact CG2-CD1 4.27Å; I420-L435 PolarHBondContact N-O 3.35Å; I420-L435 PolarHBondContact O-N 3.02Å; V422-L435 HydrophobicContact CG2-CD1 4.15Å; V422-L435 HydrophobicContact CG2-CD2 4.08Å; V422-L435 HydrophobicContact CG2-CG 3.96Å; K433-L435 HydrophobicContact CG-CD2 3.76Å; L435-L452 HydrophobicContact CD1-CD2 4.17Å; L435-W464 HydrophobicContact CB-CD2 4.46Å; L435-W464 HydrophobicContact CB-CE3 3.98Å; L435-W464 HydrophobicContact CB-CH2 3.92Å; L435-W464 HydrophobicContact CB-CZ2 4.39Å; L435-W464 HydrophobicContact CB-CZ3 3.7Å; L435-W464 HydrophobicContact CD1-CD2 4.02Å; L435-W464 HydrophobicContact CD1-CE3 4.08Å; L435-W464 HydrophobicContact CD1-CG 4.27Å; L435-W464 HydrophobicContact CG-CE3 4.47Å; L435-L469 HydrophobicContact CD2-CB 4.01Å
436	E	97.6	Very high	93.7	Very high	140 Å²	140	55.7 Å²	55.7	65%	0.654	30%	0.296	S	S	*	.			trans	-131.8	147	-171.3	-66.5	172.4	-165	0	0	109.8	T419 T434 W464	T419-E436 HydrophobicContact CG2-CG 4.05Å; T434-E436 HydrophobicContact CG2-CG 4.11Å; E436-W464 WeakPolarHBondContact O-CH2 3.33Å
437	G	96.3	Very high	94.3	Very high	38 Å²	38	55 Å²	55	39%	0.392	29%	0.289	S	S	.	.			trans	133.9	9.1	179.2	0	0	0	0	0	116.4	I462 K471	G437-I462 WeakPolarHBondContact O-CD1 3.19Å; G437-K471 PolarHBondContact O-NZ 3.24Å
438	H	98.2	Very high	94.9	Very high	10 Å²	10	52.3 Å²	52.3	5%	0.046	27%	0.268	C	S	.	.			trans	-90.2	145	158	-90.3	-59.9	0	0	0	109.8	V442 S454 S456 D458 T460 I462	H438-V442 HydrophobicContact CB-CG2 4.18Å; H438-S454 PolarHBondContact CD2-OG 2.98Å; H438-S454 WeakPolarHBondContact NE2-CB 3.34Å; H438-S454 PolarHBondContact NE2-O 2.97Å; H438-S454 PolarHBondContact NE2-OG 3.35Å; H438-S456 WeakPolarHBondContact CE1-CB 3.31Å; H438-S456 WeakPolarHBondContact ND1-CB 3.11Å; H438-D458 WeakPolarHBondContact CA-OD2 3.48Å; H438-D458 WeakPolarHBondContact CB-OD2 3.37Å; H438-D458 IonicContact CE1-OD1 2.7Å; H438-D458 IonicContact CE1-OD2 3.24Å; H438-D458 IonicContact CG-OD2 3.43Å; H438-D458 IonicContact ND1-OD1 3.93Å; H438-D458 PolarHBondContact ND1-OD1 2.88Å; H438-D458 IonicContact ND1-OD2 3.95Å; H438-D458 PolarHBondContact ND1-OD2 3.05Å; H438-T460 PolarHBondContact CE1-OG1 3.44Å; H438-T460 PolarHBondContact ND1-OG1 3.47Å; H438-I462 HydrophobicContact CB-CD1 4.33Å; H438-I462 VanDerWaalsContact CE1-CG1 3.5Å; H438-I462 WeakPolarHBondContact CE1-CG1 3.29Å; H438-I462 WeakPolarHBondContact ND1-CD1 3.4Å
439	D	97.9	Very high	95.3	Very high	130 Å²	130	51.7 Å²	51.7	70%	0.695	28%	0.276	S	S	*	.	S	Bend	trans	-96	-12.1	176.6	-73.4	-53.5	0	0	0	112.5	K418 D458	K418-D439 WeakPolarHBondContact CD-O 3.17Å; K418-D439 WeakPolarHBondContact CE-O 3.45Å; K418-D439 PolarHBondContact NZ-O 2.85Å; D439-D458 HydrophobicContact CB-CB 4.09Å; D439-D458 PolarHBondContact N-OD2 3.39Å
440	G	97.8	Very high	95.6	Very high	11 Å²	11	47.9 Å²	47.9	11%	0.113	27%	0.267	C	S	.	.	S	Bend	trans	-119.5	-178.1	178.3	0	0	0	0	0	114.1	K418 V442 S456 D458	K418-G440 WeakPolarHBondContact CA-O 3.38Å; K418-G440 WeakPolarHBondContact CB-O 3.32Å; K418-G440 WeakPolarHBondContact CG-O 3.47Å; G440-V442 PolarHBondContact O-N 2.88Å; G440-S456 VanDerWaalsContact C-OG 3.3Å; G440-S456 WeakPolarHBondContact CA-OG 3.35Å; G440-S456 PolarHBondContact O-OG 2.98Å; G440-D458 PolarHBondContact N-OD2 3.23Å
441	I	98.4	Very high	95.9	Very high	50 Å²	50	43.5 Å²	43.5	26%	0.256	25%	0.248	S	C	.	.			trans	-60.4	128.7	172.2	-58	-178.1	0	0	0	109.5	W400 L443 S456 A457	W400-I441 HydrophobicContact CG-CG2 3.95Å; I441-L443 HydrophobicContact CB-CD2 4.34Å; I441-L443 HydrophobicContact CB-CG 4.47Å; I441-L443 HydrophobicContact CG2-CD2 3.63Å; I441-L443 HydrophobicContact CG2-CG 4.1Å; I441-L443 PolarHBondContact O-N 3.47Å; I441-S456 CarbonylContact O-C 3.59Å; I441-S456 WeakPolarHBondContact O-CA 3.46Å; I441-S456 WeakPolarHBondContact O-CB 3.41Å; I441-S456 PolarHBondContact O-OG 3.06Å; I441-A457 HydrophobicContact CB-CB 4.03Å; I441-A457 PolarHBondContact O-N 3.3Å
442	V	98.7	Very high	96.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	104.8	173.1	-168.3	0	0	0	0	109.3	C401 S415 I420 H438 G440 L445	C401-V442 PolarHBondContact SG-O 2.8Å; S415-V442 PolarHBondContact O-N 3.4Å; S415-V442 VanDerWaalsContact O-N 3.08Å; I420-V442 HydrophobicContact CD1-CG1 4.47Å; I420-V442 HydrophobicContact CG1-CG1 4.09Å; I420-V442 HydrophobicContact CG1-CG2 4.26Å; H438-V442 HydrophobicContact CB-CG2 4.18Å; G440-V442 PolarHBondContact O-N 2.88Å; V442-L445 HydrophobicContact CG1-CD2 4.21Å
443	L	98.3	Very high	96.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-24.3	-172.3	-65.8	171.3	0	0	0	113.2	P36 A37 C401 I441 G455 A457 P481	P36-L443 VanDerWaalsContact O-CD2 3.25Å; P36-L443 WeakPolarHBondContact O-CD2 3.23Å; A37-L443 HydrophobicContact CB-CD1 4.03Å; A37-L443 HydrophobicContact CB-CD2 4.2Å; C401-L443 WeakPolarHBondContact CB-O 3.49Å; I441-L443 HydrophobicContact CB-CD2 4.34Å; I441-L443 HydrophobicContact CB-CG 4.47Å; I441-L443 HydrophobicContact CG2-CD2 3.63Å; I441-L443 HydrophobicContact CG2-CG 4.1Å; I441-L443 PolarHBondContact O-N 3.47Å; L443-G455 PolarHBondContact N-O 2.97Å; L443-A457 HydrophobicContact CD1-CB 4.25Å; L443-P481 HydrophobicContact CD1-CB 3.93Å
444	A	97.7	Very high	96.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	148.1	-174.9	0	0	0	0	0	112.4	S454 G455 L485	A444-S454 CarbonylContact O-C 3.48Å; A444-S454 WeakPolarHBondContact O-CA 3.42Å; A444-G455 PolarHBondContact N-O 3.39Å; A444-G455 PolarHBondContact O-N 2.89Å; A444-L485 HydrophobicContact CB-CB 4.18Å; A444-L485 HydrophobicContact CB-CD1 4.36Å; A444-L485 HydrophobicContact CB-CG 3.93Å
445	L	98.4	Very high	96.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	143.8	174.1	-64.6	168.2	0	0	0	108.6	T33 C403 F412 I420 V442 L452 Y453	T33-L445 WeakPolarHBondContact CB-O 3.31Å; T33-L445 HydrophobicContact CG2-CB 3.68Å; T33-L445 HydrophobicContact CG2-CG 4.39Å; T33-L445 WeakPolarHBondContact CG2-O 3.26Å; T33-L445 PolarHBondContact OG1-O 3.29Å; C403-L445 HydrophobicContact CB-CB 3.87Å; F412-L445 HydrophobicContact CB-CD1 3.98Å; I420-L445 HydrophobicContact CD1-CD2 3.75Å; I420-L445 HydrophobicContact CG1-CD2 4.09Å; I420-L445 HydrophobicContact CG2-CD1 4.21Å; I420-L445 HydrophobicContact CG2-CD2 4.19Å; V442-L445 HydrophobicContact CG1-CD2 4.21Å; L445-L452 HydrophobicContact CB-CD1 4.3Å; L445-L452 HydrophobicContact CD2-CD1 4.18Å; L445-L452 HydrophobicContact CD2-CD2 4.35Å; L445-L452 HydrophobicContact CD2-CG 4.44Å; L445-Y453 CarbonylContact C-O 3.51Å; L445-Y453 VanDerWaalsContact CA-O 3.3Å; L445-Y453 WeakPolarHBondContact CA-O 3.49Å
446	C	96.3	Very high	96.4	Very high	9 Å²	9	30.1 Å²	30.1	6%	0.061	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	144	176.4	179.1	0	0	0	0	109.7	Y453 L485 S487 L492	C446-Y453 PolarHBondContact N-O 3.34Å; C446-Y453 PolarHBondContact O-N 3.33Å; C446-L485 HydrophobicContact CB-CB 3.64Å; C446-S487 PolarHBondContact SG-N 2.87Å; C446-S487 PolarHBondContact SG-OG 3.15Å; C446-S487 VanDerWaalsContact SG-OG 3.41Å; C446-L492 HydrophobicContact CB-CD1 4.29Å
447	I	94.3	Very high	96.5	Very high	27 Å²	27	25.1 Å²	25.1	14%	0.138	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.3	179.8	-67.1	174.4	0	0	0	109.8	Y405 F412 K451 L452 I466 S487	Y405-I447 HydrophobicContact CD2-CD1 4.44Å; Y405-I447 HydrophobicContact CD2-CG2 4.09Å; F412-I447 HydrophobicContact CD2-CD1 3.94Å; F412-I447 HydrophobicContact CE2-CD1 4.08Å; I447-K451 WeakPolarHBondContact CA-O 3.25Å; I447-L452 HydrophobicContact CD1-CD1 4.17Å; I447-L452 HydrophobicContact CG1-CB 4.45Å; I447-L452 HydrophobicContact CG1-CD1 3.55Å; I447-I466 HydrophobicContact CB-CD1 4.48Å; I447-I466 HydrophobicContact CD1-CD1 4.12Å; I447-I466 HydrophobicContact CG1-CD1 4.08Å; I447-I466 HydrophobicContact CG2-CD1 3.69Å; I447-S487 PolarHBondContact O-OG 2.95Å
448	Q	92.1	Very high	96.6	Very high	59 Å²	59	25 Å²	25	28%	0.276	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	117	165.4	-164.3	69.7	-7.1	0	0	110.1	C450 K451 Y453 S487 H489 I505	Q448-C450 PolarHBondContact O-N 3.42Å; Q448-K451 PolarHBondContact N-O 2.92Å; Q448-K451 PolarHBondContact O-N 3.17Å; Q448-K451 VanDerWaalsContact O-N 3.08Å; Q448-Y453 HydrophobicContact CB-CE2 3.98Å; Q448-S487 PolarHBondContact OE1-OG 3.24Å; Q448-H489 PolarHBondContact NE2-O 2.86Å; Q448-I505 HydrophobicContact CB-CD1 4.11Å; Q448-I505 HydrophobicContact CG-CD1 3.75Å
449	G	89.5	Confident	96.6	Very high	56 Å²	56	25.3 Å²	25.3	58%	0.577	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.3	-121.1	-175.3	0	0	0	0	0	111.7	Y405	Y405-G449 WeakPolarHBondContact CE2-O 3.41Å
450	C	90.5	Very high	96.6	Very high	47 Å²	47	20.4 Å²	20.4	32%	0.318	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	10.5	176.3	-62.6	0	0	0	0	113.8	Q448 I466 Q467	Q448-C450 PolarHBondContact O-N 3.42Å; C450-I466 VanDerWaalsContact O-CB 3.32Å; C450-I466 WeakPolarHBondContact O-CB 3.49Å; C450-I466 WeakPolarHBondContact O-CG1 3.26Å; C450-I466 PolarHBondContact O-N 3.09Å; C450-Q467 HydrophobicContact CB-CG 4.42Å; C450-Q467 PolarHBondContact SG-NE2 3.27Å; C450-Q467 VanDerWaalsContact SG-NE2 3.43Å
451	K	93.5	Very high	96.6	Very high	51 Å²	51	20 Å²	20	22%	0.222	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134.6	178.4	-68.4	177.9	180	179	0	111.6	I447 Q448 Y453 V463 W464 G507	I447-K451 WeakPolarHBondContact CA-O 3.25Å; Q448-K451 PolarHBondContact N-O 2.92Å; Q448-K451 PolarHBondContact O-N 3.17Å; Q448-K451 VanDerWaalsContact O-N 3.08Å; K451-Y453 HydrophobicContact CB-CE2 3.87Å; K451-Y453 VanDerWaalsContact CD-OH 3.27Å; K451-Y453 WeakPolarHBondContact CD-OH 3.46Å; K451-V463 HydrophobicContact CB-CG1 4.33Å; K451-V463 HydrophobicContact CD-CG1 3.98Å; K451-V463 HydrophobicContact CG-CG1 4.24Å; K451-W464 WeakPolarHBondContact CA-O 3.29Å; K451-G507 PolarHBondContact NZ-O 3.34Å
452	L	96.6	Very high	96.6	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	138.1	164.3	175.4	74.7	0	0	0	108.6	F412 I420 L435 L445 I447 V463 W464 I466	F412-L452 HydrophobicContact CB-CD1 4.46Å; F412-L452 HydrophobicContact CB-CD2 4.44Å; F412-L452 HydrophobicContact CD1-CD2 3.49Å; F412-L452 VanDerWaalsContact CD1-CD2 3.49Å; F412-L452 HydrophobicContact CD2-CD1 4.46Å; F412-L452 HydrophobicContact CE1-CD2 3.81Å; F412-L452 HydrophobicContact CG-CD1 4.27Å; F412-L452 HydrophobicContact CG-CD2 3.94Å; I420-L452 HydrophobicContact CD1-CD2 4.45Å; L435-L452 HydrophobicContact CD1-CD2 4.17Å; L445-L452 HydrophobicContact CB-CD1 4.3Å; L445-L452 HydrophobicContact CD2-CD1 4.18Å; L445-L452 HydrophobicContact CD2-CD2 4.35Å; L445-L452 HydrophobicContact CD2-CG 4.44Å; I447-L452 HydrophobicContact CD1-CD1 4.17Å; I447-L452 HydrophobicContact CG1-CB 4.45Å; I447-L452 HydrophobicContact CG1-CD1 3.55Å; L452-V463 WeakPolarHBondContact O-CA 3.47Å; L452-W464 HydrophobicContact CB-CB 4.24Å; L452-W464 HydrophobicContact CD2-CB 4.49Å; L452-W464 HydrophobicContact CD2-CG 4.33Å; L452-W464 PolarHBondContact N-O 3.46Å; L452-W464 PolarHBondContact O-N 3Å; L452-I466 HydrophobicContact CB-CD1 4.19Å; L452-I466 HydrophobicContact CB-CG1 3.98Å
453	Y	97.7	Very high	96.5	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.016	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	130	172.9	-56.2	-89.6	0	0	0	108.2	L445 C446 Q448 K451 I461 I462 V463 L485 L492 I505 L510	L445-Y453 CarbonylContact C-O 3.51Å; L445-Y453 VanDerWaalsContact CA-O 3.3Å; L445-Y453 WeakPolarHBondContact CA-O 3.49Å; C446-Y453 PolarHBondContact N-O 3.34Å; C446-Y453 PolarHBondContact O-N 3.33Å; Q448-Y453 HydrophobicContact CB-CE2 3.98Å; K451-Y453 HydrophobicContact CB-CE2 3.87Å; K451-Y453 VanDerWaalsContact CD-OH 3.27Å; K451-Y453 WeakPolarHBondContact CD-OH 3.46Å; Y453-I461 HydrophobicContact CD1-CG2 4.46Å; Y453-I462 WeakPolarHBondContact CA-O 3.43Å; Y453-V463 HydrophobicContact CD1-CG1 4.32Å; Y453-V463 HydrophobicContact CD1-CG2 3.88Å; Y453-V463 HydrophobicContact CE1-CG1 3.99Å; Y453-V463 HydrophobicContact CE1-CG2 3.88Å; Y453-L485 WeakPolarHBondContact O-CD1 3.36Å; Y453-L492 HydrophobicContact CD1-CD2 3.67Å; Y453-L492 HydrophobicContact CD2-CD1 4.22Å; Y453-L492 HydrophobicContact CE1-CD2 4.28Å; Y453-L492 HydrophobicContact CG-CD1 4.2Å; Y453-L492 HydrophobicContact CG-CD2 3.8Å; Y453-I505 HydrophobicContact CE1-CG2 4.12Å; Y453-L510 HydrophobicContact CD1-CD1 4.19Å; Y453-L510 HydrophobicContact CD1-CD2 4.4Å; Y453-L510 HydrophobicContact CE1-CD1 4.07Å; Y453-L510 HydrophobicContact CE1-CD2 4.08Å; Y453-L510 HydrophobicContact CE1-CG 4.29Å
454	S	98.5	Very high	96.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.6	175.9	60.9	0	0	0	0	111.4	H438 A444 I461 I462 W464	H438-S454 PolarHBondContact CD2-OG 2.98Å; H438-S454 WeakPolarHBondContact NE2-CB 3.34Å; H438-S454 PolarHBondContact NE2-O 2.97Å; H438-S454 PolarHBondContact NE2-OG 3.35Å; A444-S454 CarbonylContact O-C 3.48Å; A444-S454 WeakPolarHBondContact O-CA 3.42Å; S454-I461 CarbonylContact O-C 3.56Å; S454-I461 WeakPolarHBondContact O-CA 3.33Å; S454-I462 PolarHBondContact N-O 2.75Å; S454-I462 PolarHBondContact O-N 2.96Å; S454-W464 PolarHBondContact OG-NE1 2.98Å
455	G	98.4	Very high	96.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	139.1	179.1	0	0	0	0	0	110.7	L443 A444 V482	L443-G455 PolarHBondContact N-O 2.97Å; A444-G455 PolarHBondContact N-O 3.39Å; A444-G455 PolarHBondContact O-N 2.89Å; G455-V482 CarbonylContact C-O 3.5Å
456	S	98.6	Very high	96.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	164.2	-166.9	169.7	0	0	0	0	114.2	H438 G440 I441 D458 C459 T460 V482	H438-S456 WeakPolarHBondContact CE1-CB 3.31Å; H438-S456 WeakPolarHBondContact ND1-CB 3.11Å; G440-S456 VanDerWaalsContact C-OG 3.3Å; G440-S456 WeakPolarHBondContact CA-OG 3.35Å; G440-S456 PolarHBondContact O-OG 2.98Å; I441-S456 CarbonylContact O-C 3.59Å; I441-S456 WeakPolarHBondContact O-CA 3.46Å; I441-S456 WeakPolarHBondContact O-CB 3.41Å; I441-S456 PolarHBondContact O-OG 3.06Å; S456-D458 WeakPolarHBondContact CB-OD1 3.41Å; S456-D458 WeakPolarHBondContact CB-OD2 3.35Å; S456-D458 PolarHBondContact O-N 3.39Å; S456-D458 PolarHBondContact OG-N 3.23Å; S456-D458 VanDerWaalsContact OG-N 3.13Å; S456-D458 PolarHBondContact OG-OD1 3.36Å; S456-D458 PolarHBondContact OG-OD2 3.33Å; S456-C459 PolarHBondContact O-N 3.14Å; S456-C459 VanDerWaalsContact O-N 3.1Å; S456-T460 PolarHBondContact N-O 3.14Å; S456-V482 PolarHBondContact O-N 3.43Å
457	A	98.4	Very high	95.9	Very high	35 Å²	35	26.6 Å²	26.6	29%	0.289	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-12.7	167.6	0	0	0	0	0	114.6	I441 L443 C459 P481	I441-A457 HydrophobicContact CB-CB 4.03Å; I441-A457 PolarHBondContact O-N 3.3Å; L443-A457 HydrophobicContact CD1-CB 4.25Å; A457-C459 PolarHBondContact O-N 3.34Å; A457-P481 HydrophobicContact CB-CB 4.42Å; A457-P481 HydrophobicContact CB-CG 4.42Å
458	D	98.3	Very high	95.9	Very high	34 Å²	34	30.5 Å²	30.5	18%	0.182	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	4.8	166.7	58.6	45.4	0	0	0	113.9	H438 D439 G440 S456 T460	H438-D458 WeakPolarHBondContact CA-OD2 3.48Å; H438-D458 WeakPolarHBondContact CB-OD2 3.37Å; H438-D458 IonicContact CE1-OD1 2.7Å; H438-D458 IonicContact CE1-OD2 3.24Å; H438-D458 IonicContact CG-OD2 3.43Å; H438-D458 IonicContact ND1-OD1 3.93Å; H438-D458 PolarHBondContact ND1-OD1 2.88Å; H438-D458 IonicContact ND1-OD2 3.95Å; H438-D458 PolarHBondContact ND1-OD2 3.05Å; D439-D458 HydrophobicContact CB-CB 4.09Å; D439-D458 PolarHBondContact N-OD2 3.39Å; G440-D458 PolarHBondContact N-OD2 3.23Å; S456-D458 WeakPolarHBondContact CB-OD1 3.41Å; S456-D458 WeakPolarHBondContact CB-OD2 3.35Å; S456-D458 PolarHBondContact O-N 3.39Å; S456-D458 PolarHBondContact OG-N 3.23Å; S456-D458 VanDerWaalsContact OG-N 3.13Å; S456-D458 PolarHBondContact OG-OD1 3.36Å; S456-D458 PolarHBondContact OG-OD2 3.33Å; D458-T460 PolarHBondContact O-N 3.18Å; D458-T460 VanDerWaalsContact OD1-CB 3.27Å; D458-T460 WeakPolarHBondContact OD1-CB 3.32Å; D458-T460 WeakPolarHBondContact OD1-CG2 3.36Å; D458-T460 PolarHBondContact OD1-N 2.87Å; D458-T460 PolarHBondContact OD1-OG1 3.28Å
459	C	98.3	Very high	96	Very high	18 Å²	18	29 Å²	29	12%	0.122	17%	0.17	C	C	.	.	S	Bend	trans	66.3	8.3	179.1	-43.8	0	0	0	0	114.8	S456 A457 A477 H478 N480	S456-C459 PolarHBondContact O-N 3.14Å; S456-C459 VanDerWaalsContact O-N 3.1Å; A457-C459 PolarHBondContact O-N 3.34Å; C459-A477 PolarHBondContact O-N 3.49Å; C459-A477 VanDerWaalsContact O-N 3.08Å; C459-H478 WeakPolarHBondContact CB-O 3.49Å; C459-H478 PolarHBondContact O-N 3Å; C459-N480 WeakPolarHBondContact CB-O 3.43Å; C459-N480 PolarHBondContact SG-O 2.87Å
460	T	98.4	Very high	96.3	Very high	26 Å²	26	31.4 Å²	31.4	16%	0.16	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	161.8	175.8	74.6	0	0	0	0	113.1	H438 S456 D458 T474 I475 V482	H438-T460 PolarHBondContact CE1-OG1 3.44Å; H438-T460 PolarHBondContact ND1-OG1 3.47Å; S456-T460 PolarHBondContact N-O 3.14Å; D458-T460 PolarHBondContact O-N 3.18Å; D458-T460 VanDerWaalsContact OD1-CB 3.27Å; D458-T460 WeakPolarHBondContact OD1-CB 3.32Å; D458-T460 WeakPolarHBondContact OD1-CG2 3.36Å; D458-T460 PolarHBondContact OD1-N 2.87Å; D458-T460 PolarHBondContact OD1-OG1 3.28Å; T460-T474 HydrophobicContact CG2-CG2 4.3Å; T460-I475 CarbonylContact C-O 3.59Å; T460-I475 VanDerWaalsContact CA-O 3.26Å; T460-I475 WeakPolarHBondContact CA-O 3.19Å; T460-I475 WeakPolarHBondContact CB-O 3.46Å; T460-V482 WeakPolarHBondContact O-CG2 3.41Å
461	I	98.4	Very high	96.6	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.9	157.9	-65.1	168.8	0	0	0	108.2	Y453 S454 T474 I475 A477 V482 L485 L492 L510	Y453-I461 HydrophobicContact CD1-CG2 4.46Å; S454-I461 CarbonylContact O-C 3.56Å; S454-I461 WeakPolarHBondContact O-CA 3.33Å; I461-T474 WeakPolarHBondContact O-CA 3.26Å; I461-I475 PolarHBondContact N-O 2.84Å; I461-I475 PolarHBondContact O-N 2.95Å; I461-A477 HydrophobicContact CB-CB 4.32Å; I461-A477 HydrophobicContact CD1-CB 3.57Å; I461-A477 HydrophobicContact CG1-CB 3.64Å; I461-V482 HydrophobicContact CD1-CG1 4.4Å; I461-V482 HydrophobicContact CG1-CG1 4.13Å; I461-V482 HydrophobicContact CG1-CG2 4.31Å; I461-L485 HydrophobicContact CD1-CD2 3.73Å; I461-L485 HydrophobicContact CG1-CD2 4.14Å; I461-L492 HydrophobicContact CD1-CD2 4.29Å; I461-L492 HydrophobicContact CG2-CD2 4.36Å; I461-L510 HydrophobicContact CG2-CD1 4.44Å
462	I	97.9	Very high	96.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	137.4	170.7	-57	179.6	0	0	0	109.2	G437 H438 Y453 S454 W464 K471 N473 T474	G437-I462 WeakPolarHBondContact O-CD1 3.19Å; H438-I462 HydrophobicContact CB-CD1 4.33Å; H438-I462 VanDerWaalsContact CE1-CG1 3.5Å; H438-I462 WeakPolarHBondContact CE1-CG1 3.29Å; H438-I462 WeakPolarHBondContact ND1-CD1 3.4Å; Y453-I462 WeakPolarHBondContact CA-O 3.43Å; S454-I462 PolarHBondContact N-O 2.75Å; S454-I462 PolarHBondContact O-N 2.96Å; I462-W464 HydrophobicContact CB-CZ2 3.98Å; I462-W464 HydrophobicContact CD1-CZ2 4.03Å; I462-W464 HydrophobicContact CG2-CD2 3.91Å; I462-W464 HydrophobicContact CG2-CE3 4.46Å; I462-W464 HydrophobicContact CG2-CG 4.4Å; I462-W464 HydrophobicContact CG2-CH2 4.09Å; I462-W464 HydrophobicContact CG2-CZ2 3.48Å; I462-W464 VanDerWaalsContact CG2-CZ2 3.48Å; I462-K471 HydrophobicContact CG2-CD 4.09Å; I462-K471 HydrophobicContact CG2-CG 3.97Å; I462-N473 WeakPolarHBondContact CA-O 3.24Å; I462-N473 WeakPolarHBondContact CG2-O 3.26Å; I462-T474 HydrophobicContact CG1-CG2 3.91Å; I462-T474 WeakPolarHBondContact CG1-OG1 3.34Å
463	V	97.1	Very high	96.5	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.018	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	131.3	172.4	-170.4	0	0	0	0	108.5	K451 L452 Y453 V472 N473 L510	K451-V463 HydrophobicContact CB-CG1 4.33Å; K451-V463 HydrophobicContact CD-CG1 3.98Å; K451-V463 HydrophobicContact CG-CG1 4.24Å; L452-V463 WeakPolarHBondContact O-CA 3.47Å; Y453-V463 HydrophobicContact CD1-CG1 4.32Å; Y453-V463 HydrophobicContact CD1-CG2 3.88Å; Y453-V463 HydrophobicContact CE1-CG1 3.99Å; Y453-V463 HydrophobicContact CE1-CG2 3.88Å; V463-V472 HydrophobicContact CB-CB 4.37Å; V463-V472 HydrophobicContact CG1-CB 4.31Å; V463-V472 PolarHBondContact O-N 2.9Å; V463-N473 HydrophobicContact CB-CB 4.07Å; V463-N473 HydrophobicContact CG2-CB 3.99Å; V463-N473 PolarHBondContact N-O 3.48Å; V463-N473 PolarHBondContact O-N 3.2Å; V463-L510 HydrophobicContact CG2-CD1 3.39Å
464	W	96.9	Very high	96.4	Very high	10 Å²	10	39.8 Å²	39.8	4%	0.038	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	143	176.3	-40.9	79.2	0	0	0	110.2	I420 L435 E436 K451 L452 S454 I462 Q470 K471	I420-W464 HydrophobicContact CD1-CZ2 3.87Å; L435-W464 HydrophobicContact CB-CD2 4.46Å; L435-W464 HydrophobicContact CB-CE3 3.98Å; L435-W464 HydrophobicContact CB-CH2 3.92Å; L435-W464 HydrophobicContact CB-CZ2 4.39Å; L435-W464 HydrophobicContact CB-CZ3 3.7Å; L435-W464 HydrophobicContact CD1-CD2 4.02Å; L435-W464 HydrophobicContact CD1-CE3 4.08Å; L435-W464 HydrophobicContact CD1-CG 4.27Å; L435-W464 HydrophobicContact CG-CE3 4.47Å; E436-W464 WeakPolarHBondContact O-CH2 3.33Å; K451-W464 WeakPolarHBondContact CA-O 3.29Å; L452-W464 HydrophobicContact CB-CB 4.24Å; L452-W464 HydrophobicContact CD2-CB 4.49Å; L452-W464 HydrophobicContact CD2-CG 4.33Å; L452-W464 PolarHBondContact N-O 3.46Å; L452-W464 PolarHBondContact O-N 3Å; S454-W464 PolarHBondContact OG-NE1 2.98Å; I462-W464 HydrophobicContact CB-CZ2 3.98Å; I462-W464 HydrophobicContact CD1-CZ2 4.03Å; I462-W464 HydrophobicContact CG2-CD2 3.91Å; I462-W464 HydrophobicContact CG2-CE3 4.46Å; I462-W464 HydrophobicContact CG2-CG 4.4Å; I462-W464 HydrophobicContact CG2-CH2 4.09Å; I462-W464 HydrophobicContact CG2-CZ2 3.48Å; I462-W464 VanDerWaalsContact CG2-CZ2 3.48Å; W464-Q470 CarbonylContact C-O 3.53Å; W464-Q470 WeakPolarHBondContact CA-O 3.14Å; W464-K471 HydrophobicContact CE3-CB 3.83Å; W464-K471 HydrophobicContact CZ3-CB 3.74Å; W464-K471 HydrophobicContact CZ3-CD 4.5Å
465	D	94.8	Very high	96.3	Very high	35 Å²	35	41.4 Å²	41.4	19%	0.187	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	126.8	169	178.6	-102.9	0	0	0	109.8	Q467 N468 L469 Q470 V472	D465-Q467 WeakPolarHBondContact OD1-CB 3.46Å; D465-Q467 PolarHBondContact OD1-N 2.83Å; D465-Q467 VanDerWaalsContact OD1-N 3.11Å; D465-N468 WeakPolarHBondContact OD1-CB 3.38Å; D465-N468 PolarHBondContact OD1-N 3.46Å; D465-N468 PolarHBondContact OD1-ND2 3.05Å; D465-L469 WeakPolarHBondContact O-CA 3.11Å; D465-L469 PolarHBondContact O-N 2.87Å; D465-Q470 PolarHBondContact N-O 3.03Å; D465-Q470 PolarHBondContact O-N 2.9Å; D465-V472 HydrophobicContact CB-CG2 3.72Å
466	I	94.3	Very high	96.2	Very high	8 Å²	8	49.7 Å²	49.7	4%	0.041	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-26.8	-176.3	-65.9	174.8	0	0	0	111.7	Y405 F412 I447 C450 L452 L469	Y405-I466 HydrophobicContact CD1-CG2 3.7Å; Y405-I466 HydrophobicContact CD2-CD1 4.08Å; Y405-I466 HydrophobicContact CD2-CG2 4.46Å; Y405-I466 HydrophobicContact CE1-CG2 3.74Å; Y405-I466 HydrophobicContact CE2-CD1 4.3Å; Y405-I466 HydrophobicContact CE2-CG2 4.48Å; Y405-I466 HydrophobicContact CG-CD1 4.45Å; Y405-I466 HydrophobicContact CG-CG2 4.08Å; F412-I466 HydrophobicContact CZ-CG1 4.35Å; F412-I466 HydrophobicContact CZ-CG2 4.26Å; I447-I466 HydrophobicContact CB-CD1 4.48Å; I447-I466 HydrophobicContact CD1-CD1 4.12Å; I447-I466 HydrophobicContact CG1-CD1 4.08Å; I447-I466 HydrophobicContact CG2-CD1 3.69Å; C450-I466 VanDerWaalsContact O-CB 3.32Å; C450-I466 WeakPolarHBondContact O-CB 3.49Å; C450-I466 WeakPolarHBondContact O-CG1 3.26Å; C450-I466 PolarHBondContact O-N 3.09Å; L452-I466 HydrophobicContact CB-CD1 4.19Å; L452-I466 HydrophobicContact CB-CG1 3.98Å; I466-L469 WeakPolarHBondContact O-CD2 3.28Å
467	Q	92.1	Very high	96	Very high	142 Å²	142	49.8 Å²	49.8	66%	0.664	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-39.2	-177.1	-57.8	-176.5	-1.6	0	0	111.9	C450 D465	C450-Q467 HydrophobicContact CB-CG 4.42Å; C450-Q467 PolarHBondContact SG-NE2 3.27Å; C450-Q467 VanDerWaalsContact SG-NE2 3.43Å; D465-Q467 WeakPolarHBondContact OD1-CB 3.46Å; D465-Q467 PolarHBondContact OD1-N 2.83Å; D465-Q467 VanDerWaalsContact OD1-N 3.11Å
468	N	93.3	Very high	96	Very high	109 Å²	109	48.5 Å²	48.5	58%	0.583	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.4	-8.9	-176	-60.5	-88.7	0	0	0	113.2	D465 Q470	D465-N468 WeakPolarHBondContact OD1-CB 3.38Å; D465-N468 PolarHBondContact OD1-N 3.46Å; D465-N468 PolarHBondContact OD1-ND2 3.05Å; N468-Q470 VanDerWaalsContact C-N 3.31Å; N468-Q470 HydrophobicContact CB-CG 4.09Å; N468-Q470 WeakPolarHBondContact O-CG 3.31Å; N468-Q470 PolarHBondContact O-N 2.99Å; N468-Q470 PolarHBondContact O-NE2 2.95Å
469	L	95.1	Very high	95.9	Very high	27 Å²	27	52.2 Å²	52.2	14%	0.141	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	45.2	-176.4	-58.9	179.2	0	0	0	112.5	F412 V422 K433 L435 D465 I466	F412-L469 HydrophobicContact CE1-CD2 3.99Å; F412-L469 HydrophobicContact CZ-CD2 4.08Å; V422-L469 HydrophobicContact CB-CD1 4.49Å; V422-L469 HydrophobicContact CG1-CD1 4.18Å; V422-L469 HydrophobicContact CG1-CD2 4.3Å; V422-L469 HydrophobicContact CG2-CD1 4.33Å; V422-L469 HydrophobicContact CG2-CD2 4.26Å; K433-L469 HydrophobicContact CB-CD1 3.75Å; K433-L469 HydrophobicContact CG-CB 4.23Å; K433-L469 HydrophobicContact CG-CD1 4.16Å; L435-L469 HydrophobicContact CD2-CB 4.01Å; D465-L469 WeakPolarHBondContact O-CA 3.11Å; D465-L469 PolarHBondContact O-N 2.87Å; I466-L469 WeakPolarHBondContact O-CD2 3.28Å
470	Q	95.4	Very high	95.9	Very high	108 Å²	108	54.1 Å²	54.1	51%	0.505	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	152	-178.4	-64.6	-51	-45.9	0	0	112.9	W464 D465 N468	W464-Q470 CarbonylContact C-O 3.53Å; W464-Q470 WeakPolarHBondContact CA-O 3.14Å; D465-Q470 PolarHBondContact N-O 3.03Å; D465-Q470 PolarHBondContact O-N 2.9Å; N468-Q470 VanDerWaalsContact C-N 3.31Å; N468-Q470 HydrophobicContact CB-CG 4.09Å; N468-Q470 WeakPolarHBondContact O-CG 3.31Å; N468-Q470 PolarHBondContact O-N 2.99Å; N468-Q470 PolarHBondContact O-NE2 2.95Å
471	K	96.3	Very high	95.9	Very high	99 Å²	99	54 Å²	54	43%	0.43	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	123.5	172	173.9	162.9	164.2	150.8	0	110.2	G437 I462 W464 T474	G437-K471 PolarHBondContact O-NZ 3.24Å; I462-K471 HydrophobicContact CG2-CD 4.09Å; I462-K471 HydrophobicContact CG2-CG 3.97Å; W464-K471 HydrophobicContact CE3-CB 3.83Å; W464-K471 HydrophobicContact CZ3-CB 3.74Å; W464-K471 HydrophobicContact CZ3-CD 4.5Å; K471-T474 WeakPolarHBondContact CE-OG1 3.45Å; K471-T474 PolarHBondContact NZ-OG1 2.98Å
472	V	94.4	Very high	95.9	Very high	79 Å²	79	53.9 Å²	53.9	48%	0.479	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-41.6	-177.8	179.3	0	0	0	0	111.8	V463 D465	V463-V472 HydrophobicContact CB-CB 4.37Å; V463-V472 HydrophobicContact CG1-CB 4.31Å; V463-V472 PolarHBondContact O-N 2.9Å; D465-V472 HydrophobicContact CB-CG2 3.72Å
473	N	93.8	Very high	95.9	Very high	45 Å²	45	54 Å²	54	24%	0.241	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	158.4	-175.1	-158.7	-18.6	0	0	0	110.9	I462 V463	I462-N473 WeakPolarHBondContact CA-O 3.24Å; I462-N473 WeakPolarHBondContact CG2-O 3.26Å; V463-N473 HydrophobicContact CB-CB 4.07Å; V463-N473 HydrophobicContact CG2-CB 3.99Å; V463-N473 PolarHBondContact N-O 3.48Å; V463-N473 PolarHBondContact O-N 3.2Å
474	T	96.1	Very high	95.9	Very high	56 Å²	56	53.9 Å²	53.9	34%	0.344	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	125.9	173.2	-63	0	0	0	0	110.1	T460 I461 I462 K471	T460-T474 HydrophobicContact CG2-CG2 4.3Å; I461-T474 WeakPolarHBondContact O-CA 3.26Å; I462-T474 HydrophobicContact CG1-CG2 3.91Å; I462-T474 WeakPolarHBondContact CG1-OG1 3.34Å; K471-T474 WeakPolarHBondContact CE-OG1 3.45Å; K471-T474 PolarHBondContact NZ-OG1 2.98Å
475	I	95.8	Very high	96	Very high	34 Å²	34	53.7 Å²	53.7	17%	0.174	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	130.2	-173.6	-70.5	165.5	0	0	0	108.9	T460 I461 A477 W503 L510	T460-I475 CarbonylContact C-O 3.59Å; T460-I475 VanDerWaalsContact CA-O 3.26Å; T460-I475 WeakPolarHBondContact CA-O 3.19Å; T460-I475 WeakPolarHBondContact CB-O 3.46Å; I461-I475 PolarHBondContact N-O 2.84Å; I461-I475 PolarHBondContact O-N 2.95Å; I475-A477 PolarHBondContact O-N 2.99Å; I475-W503 HydrophobicContact CG2-CH2 4.22Å; I475-W503 HydrophobicContact CG2-CZ3 4.14Å; I475-L510 HydrophobicContact CD1-CB 3.71Å; I475-L510 HydrophobicContact CD1-CD1 4Å; I475-L510 HydrophobicContact CD1-CG 4.48Å
476	R	96.3	Very high	96.1	Very high	174 Å²	174	52.4 Å²	52.4	66%	0.657	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	100.6	168.3	-176	-178	176.8	109	0.4	108.1	D479	R476-D479 IonicContact CZ-OD1 3.97Å; R476-D479 IonicContact NE-OD1 3.45Å; R476-D479 PolarHBondContact NE-OD1 3.31Å; R476-D479 IonicContact NH2-OD1 2.85Å; R476-D479 PolarHBondContact NH2-OD1 2.96Å
477	A	95.3	Very high	96.1	Very high	2 Å²	2	52.3 Å²	52.3	2%	0.017	26%	0.26	C	S	.	.			trans	-85.4	-43.5	-169.1	0	0	0	0	0	111.6	C459 I461 I475 V482 K501 W503	C459-A477 PolarHBondContact O-N 3.49Å; C459-A477 VanDerWaalsContact O-N 3.08Å; I461-A477 HydrophobicContact CB-CB 4.32Å; I461-A477 HydrophobicContact CD1-CB 3.57Å; I461-A477 HydrophobicContact CG1-CB 3.64Å; I475-A477 PolarHBondContact O-N 2.99Å; A477-V482 HydrophobicContact CB-CG2 4.18Å; A477-K501 WeakPolarHBondContact O-CD 3.25Å; A477-K501 PolarHBondContact O-NZ 3.13Å; A477-W503 HydrophobicContact CB-CH2 4.31Å; A477-W503 HydrophobicContact CB-CZ2 3.68Å
478	H	97.1	Very high	96.2	Very high	7 Å²	7	45.7 Å²	45.7	3%	0.032	23%	0.23	C	C	.	.			trans	-133.8	172	-175.7	-70.4	-92.7	0	0	0	110.3	C459 N480 S494 S496	C459-H478 WeakPolarHBondContact CB-O 3.49Å; C459-H478 PolarHBondContact O-N 3Å; H478-N480 VanDerWaalsContact CB-O 3.24Å; H478-N480 WeakPolarHBondContact CB-O 3.17Å; H478-S494 PolarHBondContact CE1-O 3.46Å; H478-S494 PolarHBondContact NE2-O 3.08Å; H478-S494 PolarHBondContact NE2-OG 2.92Å; H478-S496 WeakPolarHBondContact ND1-CB 3.26Å
479	D	97	Very high	95.9	Very high	112 Å²	112	46.5 Å²	46.5	60%	0.599	23%	0.23	S	C	*	.	S	Bend	trans	-100	2.5	170.4	-62.3	-66.9	0	0	0	112.4	R476	R476-D479 IonicContact CZ-OD1 3.97Å; R476-D479 IonicContact NE-OD1 3.45Å; R476-D479 PolarHBondContact NE-OD1 3.31Å; R476-D479 IonicContact NH2-OD1 2.85Å; R476-D479 PolarHBondContact NH2-OD1 2.96Å
480	N	98.1	Very high	95.7	Very high	59 Å²	59	50.1 Å²	50.1	32%	0.316	25%	0.249	S	C	.	.	S	Bend	trans	-131.1	161.5	173.1	-77.1	-97.3	0	0	0	108.8	C459 H478 V482 S496 L497	C459-N480 WeakPolarHBondContact CB-O 3.43Å; C459-N480 PolarHBondContact SG-O 2.87Å; H478-N480 VanDerWaalsContact CB-O 3.24Å; H478-N480 WeakPolarHBondContact CB-O 3.17Å; N480-V482 PolarHBondContact O-N 3.07Å; N480-S496 VanDerWaalsContact C-OG 3.29Å; N480-S496 VanDerWaalsContact CB-OG 3.27Å; N480-S496 WeakPolarHBondContact CB-OG 3.19Å; N480-S496 PolarHBondContact O-OG 3.49Å; N480-S496 VanDerWaalsContact O-OG 3.07Å; N480-L497 HydrophobicContact CB-CB 3.9Å; N480-L497 WeakPolarHBondContact OD1-CD2 3.38Å
481	P	98.4	Very high	95.7	Very high	23 Å²	23	45.7 Å²	45.7	15%	0.149	23%	0.229	C	C	.	.			trans	-48.6	137.6	-179.5	-34.3	38.5	0	0	0	114.3	L443 A457 C483 S496 W522	L443-P481 HydrophobicContact CD1-CB 3.93Å; A457-P481 HydrophobicContact CB-CB 4.42Å; A457-P481 HydrophobicContact CB-CG 4.42Å; P481-C483 PolarHBondContact O-N 3.29Å; P481-C483 PolarHBondContact O-SG 3.48Å; P481-C483 VanDerWaalsContact O-SG 3.37Å; P481-S496 WeakPolarHBondContact O-CB 3.39Å; P481-S496 PolarHBondContact O-OG 2.96Å; P481-W522 HydrophobicContact CB-CZ3 4.03Å; P481-W522 HydrophobicContact CG-CH2 4.05Å; P481-W522 HydrophobicContact CG-CZ3 4.08Å
482	V	98.4	Very high	95.8	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.208	C	C	.	.			trans	-81.7	97.1	174.5	-169.7	0	0	0	0	107.9	G455 S456 T460 I461 A477 N480 L485	G455-V482 CarbonylContact C-O 3.5Å; S456-V482 PolarHBondContact O-N 3.43Å; T460-V482 WeakPolarHBondContact O-CG2 3.41Å; I461-V482 HydrophobicContact CD1-CG1 4.4Å; I461-V482 HydrophobicContact CG1-CG1 4.13Å; I461-V482 HydrophobicContact CG1-CG2 4.31Å; A477-V482 HydrophobicContact CB-CG2 4.18Å; N480-V482 PolarHBondContact O-N 3.07Å; V482-L485 HydrophobicContact CG1-CD2 3.89Å; V482-L485 HydrophobicContact CG1-CG 4.34Å
483	C	97.6	Very high	95.9	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.014	19%	0.186	C	C	.	.			trans	-87.5	-13.1	-168.9	-65	0	0	0	0	113.8	P481 G495 W522 R524	P481-C483 PolarHBondContact O-N 3.29Å; P481-C483 PolarHBondContact O-SG 3.48Å; P481-C483 VanDerWaalsContact O-SG 3.37Å; C483-G495 PolarHBondContact N-O 2.84Å; C483-W522 WeakPolarHBondContact SG-CZ3 3.42Å; C483-R524 PolarHBondContact SG-NH1 2.95Å
484	T	97.6	Very high	96.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	146.8	-177.6	-178.9	0	0	0	0	111.4	F34 S494 G495 V523 L526	F34-T484 VanDerWaalsContact CE1-CB 3.48Å; F34-T484 HydrophobicContact CE1-CG2 4.44Å; F34-T484 WeakPolarHBondContact CE1-OG1 3.45Å; F34-T484 WeakPolarHBondContact CZ-OG1 3.4Å; T484-S494 WeakPolarHBondContact O-CA 3.26Å; T484-G495 PolarHBondContact O-N 3.05Å; T484-V523 HydrophobicContact CG2-CG1 4.18Å; T484-V523 WeakPolarHBondContact CG2-O 3.42Å; T484-L526 HydrophobicContact CG2-CB 3.63Å; T484-L526 HydrophobicContact CG2-CD2 3.95Å; T484-L526 HydrophobicContact CG2-CG 4.45Å; T484-L526 WeakPolarHBondContact OG1-CB 3.47Å
485	L	98.1	Very high	96.2	Very high	6 Å²	6	32.5 Å²	32.5	3%	0.031	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	135.3	174.8	-68.4	179.5	0	0	0	108.9	A444 C446 Y453 I461 V482 L492 F493	A444-L485 HydrophobicContact CB-CB 4.18Å; A444-L485 HydrophobicContact CB-CD1 4.36Å; A444-L485 HydrophobicContact CB-CG 3.93Å; C446-L485 HydrophobicContact CB-CB 3.64Å; Y453-L485 WeakPolarHBondContact O-CD1 3.36Å; I461-L485 HydrophobicContact CD1-CD2 3.73Å; I461-L485 HydrophobicContact CG1-CD2 4.14Å; V482-L485 HydrophobicContact CG1-CD2 3.89Å; V482-L485 HydrophobicContact CG1-CG 4.34Å; L485-L492 HydrophobicContact CB-CD1 4.41Å; L485-L492 HydrophobicContact CD2-CD1 4.46Å; L485-L492 HydrophobicContact CD2-CD2 4.21Å; L485-L492 HydrophobicContact CD2-CG 4.39Å; L485-F493 WeakPolarHBondContact CA-O 3.45Å
486	V	97.1	Very high	96.3	Very high	9 Å²	9	31 Å²	31	6%	0.055	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	140.2	165.7	72	0	0	0	0	110.1	F493 L526 A528 L533	V486-F493 HydrophobicContact CG1-CB 4Å; V486-F493 HydrophobicContact CG1-CD2 4.48Å; V486-F493 PolarHBondContact N-O 3.35Å; V486-F493 PolarHBondContact O-N 3.28Å; V486-L526 HydrophobicContact CG1-CD2 3.94Å; V486-L526 HydrophobicContact CG1-CG 3.78Å; V486-A528 HydrophobicContact CG1-CB 4.24Å; V486-A528 HydrophobicContact CG2-CB 4.01Å; V486-L533 HydrophobicContact CG1-CD1 3.81Å
487	S	94.8	Very high	96.4	Very high	5 Å²	5	25.4 Å²	25.4	4%	0.035	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	153.2	175.6	56	0	0	0	0	110.2	M30 C446 I447 Q448 M491	M30-S487 WeakPolarHBondContact CE-O 3.41Å; C446-S487 PolarHBondContact SG-N 2.87Å; C446-S487 PolarHBondContact SG-OG 3.15Å; C446-S487 VanDerWaalsContact SG-OG 3.41Å; I447-S487 PolarHBondContact O-OG 2.95Å; Q448-S487 PolarHBondContact OE1-OG 3.24Å; S487-M491 CarbonylContact C-O 3.47Å; S487-M491 WeakPolarHBondContact CA-O 3.5Å
488	S	93.6	Very high	96.4	Very high	4 Å²	4	30.8 Å²	30.8	3%	0.028	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	133.1	160.8	-173.4	0	0	0	0	109.8	N490 M491	S488-N490 PolarHBondContact O-N 2.91Å; S488-N490 VanDerWaalsContact O-N 3.13Å; S488-M491 PolarHBondContact N-O 3.03Å; S488-M491 PolarHBondContact O-N 3Å
489	H	87.4	Confident	96.4	Very high	126 Å²	126	31 Å²	31	58%	0.583	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	-116.7	-175.3	-55.9	71.6	0	0	0	110.9	Q448	Q448-H489 PolarHBondContact NE2-O 2.86Å
490	N	91.9	Very high	96.5	Very high	102 Å²	102	25.6 Å²	25.6	55%	0.545	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	28.3	178.7	-66.8	-5.6	0	0	0	112.7	S488 I505 V506	S488-N490 PolarHBondContact O-N 2.91Å; S488-N490 VanDerWaalsContact O-N 3.13Å; N490-I505 WeakPolarHBondContact O-CG1 3.4Å; N490-I505 PolarHBondContact O-N 3.04Å; N490-V506 HydrophobicContact CB-CG2 3.71Å
491	M	95.1	Very high	96.5	Very high	16 Å²	16	24.2 Å²	24.2	8%	0.079	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	145.6	178.6	-67	175.5	-64.6	0	0	112.4	S487 S488 F493 V502 W503 K513 I546 L549	S487-M491 CarbonylContact C-O 3.47Å; S487-M491 WeakPolarHBondContact CA-O 3.5Å; S488-M491 PolarHBondContact N-O 3.03Å; S488-M491 PolarHBondContact O-N 3Å; M491-F493 HydrophobicContact CB-CE2 3.85Å; M491-F493 HydrophobicContact CB-CZ 4.19Å; M491-F493 HydrophobicContact CE-CZ 4.14Å; M491-V502 HydrophobicContact CB-CG1 4.16Å; M491-V502 HydrophobicContact CG-CG1 4.24Å; M491-V502 HydrophobicContact SD-CG1 3.86Å; M491-W503 CarbonylContact C-O 3.53Å; M491-W503 VanDerWaalsContact CA-O 3.24Å; M491-W503 WeakPolarHBondContact CA-O 3.49Å; M491-K513 HydrophobicContact CG-CD 4.37Å; M491-K513 HydrophobicContact SD-CD 3.88Å; M491-K513 PolarHBondContact SD-NZ 3.2Å; M491-I546 HydrophobicContact CE-CG2 3.74Å; M491-I546 WeakPolarHBondContact CE-O 3.4Å; M491-L549 HydrophobicContact SD-CD1 4.4Å; M491-L549 HydrophobicContact SD-CD2 4.49Å
492	L	97.1	Very high	96.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	129.5	166.8	-178.7	73	0	0	0	108.9	C446 Y453 I461 L485 W503 I505 L510	C446-L492 HydrophobicContact CB-CD1 4.29Å; Y453-L492 HydrophobicContact CD1-CD2 3.67Å; Y453-L492 HydrophobicContact CD2-CD1 4.22Å; Y453-L492 HydrophobicContact CE1-CD2 4.28Å; Y453-L492 HydrophobicContact CG-CD1 4.2Å; Y453-L492 HydrophobicContact CG-CD2 3.8Å; I461-L492 HydrophobicContact CD1-CD2 4.29Å; I461-L492 HydrophobicContact CG2-CD2 4.36Å; L485-L492 HydrophobicContact CB-CD1 4.41Å; L485-L492 HydrophobicContact CD2-CD1 4.46Å; L485-L492 HydrophobicContact CD2-CD2 4.21Å; L485-L492 HydrophobicContact CD2-CG 4.39Å; L492-W503 HydrophobicContact CB-CB 4.38Å; L492-W503 PolarHBondContact N-O 2.84Å; L492-W503 PolarHBondContact O-N 3.07Å; L492-I505 HydrophobicContact CB-CG2 3.94Å; L492-L510 HydrophobicContact CB-CD2 4.11Å; L492-L510 HydrophobicContact CD2-CD2 3.65Å
493	F	98.1	Very high	96.4	Very high	1 Å²	1	23.9 Å²	23.9	0%	0.004	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	134.6	175.9	-60.3	-98.8	0	0	0	109	L485 V486 M491 I500 V502 L526 L533 I546 L549	L485-F493 WeakPolarHBondContact CA-O 3.45Å; V486-F493 HydrophobicContact CG1-CB 4Å; V486-F493 HydrophobicContact CG1-CD2 4.48Å; V486-F493 PolarHBondContact N-O 3.35Å; V486-F493 PolarHBondContact O-N 3.28Å; M491-F493 HydrophobicContact CB-CE2 3.85Å; M491-F493 HydrophobicContact CB-CZ 4.19Å; M491-F493 HydrophobicContact CE-CZ 4.14Å; F493-I500 HydrophobicContact CB-CG2 4.24Å; F493-I500 HydrophobicContact CD1-CG2 4.49Å; F493-V502 HydrophobicContact CD1-CB 4.37Å; F493-V502 HydrophobicContact CD1-CG1 4.05Å; F493-V502 HydrophobicContact CD1-CG2 3.74Å; F493-V502 HydrophobicContact CE1-CB 4.35Å; F493-V502 HydrophobicContact CE1-CG1 3.72Å; F493-V502 HydrophobicContact CE1-CG2 3.76Å; F493-V502 HydrophobicContact CZ-CG1 4.07Å; F493-L526 HydrophobicContact CB-CD2 3.9Å; F493-L533 HydrophobicContact CB-CD1 4.22Å; F493-L533 HydrophobicContact CD1-CD1 4Å; F493-L533 HydrophobicContact CD1-CD2 3.45Å; F493-L533 VanDerWaalsContact CD1-CD2 3.45Å; F493-L533 HydrophobicContact CD1-CG 4.35Å; F493-L533 HydrophobicContact CD2-CD1 4.19Å; F493-L533 HydrophobicContact CE1-CD1 4.42Å; F493-L533 HydrophobicContact CE1-CD2 3.79Å; F493-L533 HydrophobicContact CG-CD1 3.88Å; F493-L533 HydrophobicContact CG-CD2 4.15Å; F493-I546 HydrophobicContact CZ-CG1 4.47Å; F493-I546 HydrophobicContact CZ-CG2 4.28Å; F493-L549 HydrophobicContact CE1-CD2 3.63Å; F493-L549 HydrophobicContact CZ-CD2 3.9Å
494	S	98.3	Very high	96.2	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	117.3	-175.5	60.9	0	0	0	0	111.4	H478 T484 I500 K501 W503	H478-S494 PolarHBondContact CE1-O 3.46Å; H478-S494 PolarHBondContact NE2-O 3.08Å; H478-S494 PolarHBondContact NE2-OG 2.92Å; T484-S494 WeakPolarHBondContact O-CA 3.26Å; S494-I500 CarbonylContact O-C 3.55Å; S494-I500 VanDerWaalsContact O-CA 3.27Å; S494-I500 WeakPolarHBondContact O-CA 3.28Å; S494-K501 PolarHBondContact N-O 2.88Å; S494-K501 PolarHBondContact O-N 3.19Å; S494-K501 PolarHBondContact OG-O 3.19Å; S494-W503 PolarHBondContact OG-NE1 3.01Å
495	G	97.9	Very high	95.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	138.9	-178	0	0	0	0	0	112.7	C483 T484	C483-G495 PolarHBondContact N-O 2.84Å; T484-G495 PolarHBondContact O-N 3.05Å
496	S	97.6	Very high	95.4	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.014	16%	0.16	C	C	.	.			trans	-143.3	-154	174.9	-165.7	0	0	0	0	110.3	H478 N480 P481 K498 A499 V523	H478-S496 WeakPolarHBondContact ND1-CB 3.26Å; N480-S496 VanDerWaalsContact C-OG 3.29Å; N480-S496 VanDerWaalsContact CB-OG 3.27Å; N480-S496 WeakPolarHBondContact CB-OG 3.19Å; N480-S496 PolarHBondContact O-OG 3.49Å; N480-S496 VanDerWaalsContact O-OG 3.07Å; P481-S496 WeakPolarHBondContact O-CB 3.39Å; P481-S496 PolarHBondContact O-OG 2.96Å; S496-K498 PolarHBondContact O-N 2.75Å; S496-A499 PolarHBondContact N-O 2.88Å; S496-V523 WeakPolarHBondContact O-CG2 3.49Å; S496-V523 PolarHBondContact O-N 3.45Å
497	L	97.4	Very high	94.3	Very high	57 Å²	57	33.2 Å²	33.2	30%	0.298	18%	0.182	S	C	.	.	B	Isolated β-bridge	trans	-68.5	113.1	176.2	-178.2	59.6	0	0	0	110.9	N480 A499 W522	N480-L497 HydrophobicContact CB-CB 3.9Å; N480-L497 WeakPolarHBondContact OD1-CD2 3.38Å; L497-A499 PolarHBondContact O-N 3.01Å; L497-W522 HydrophobicContact CD1-CD2 4.28Å; L497-W522 HydrophobicContact CD1-CG 4Å
498	K	96.4	Very high	93.2	Very high	116 Å²	116	38.4 Å²	38.4	50%	0.504	21%	0.213	S	C	.	.	S	Bend	trans	60.8	3.2	174.8	-57.2	-175.2	-175.7	-176.6	0	117.4	S496 L519 N520 H521	S496-K498 PolarHBondContact O-N 2.75Å; K498-L519 WeakPolarHBondContact CB-O 3.48Å; K498-N520 VanDerWaalsContact CE-O 3.28Å; K498-N520 WeakPolarHBondContact CE-O 3.44Å; K498-H521 WeakPolarHBondContact CA-O 3.48Å; K498-H521 PolarHBondContact N-O 2.94Å
499	A	96.6	Very high	92.6	Very high	10 Å²	10	43 Å²	43	8%	0.083	23%	0.234	C	C	.	.			trans	-137	150.1	-177.7	0	0	0	0	0	112.5	S496 L497 E515	S496-A499 PolarHBondContact N-O 2.88Å; L497-A499 PolarHBondContact O-N 3.01Å; A499-E515 HydrophobicContact CB-CG 4.2Å
500	I	98.4	Very high	92.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	120.2	164.1	-55.3	162.3	0	0	0	107.7	F493 S494 L516 L519 V523 L526 S535 W544	F493-I500 HydrophobicContact CB-CG2 4.24Å; F493-I500 HydrophobicContact CD1-CG2 4.49Å; S494-I500 CarbonylContact O-C 3.55Å; S494-I500 VanDerWaalsContact O-CA 3.27Å; S494-I500 WeakPolarHBondContact O-CA 3.28Å; I500-L516 HydrophobicContact CB-CB 4.12Å; I500-L516 HydrophobicContact CB-CD1 4.22Å; I500-L516 HydrophobicContact CB-CG 4.27Å; I500-L516 HydrophobicContact CD1-CD1 4.45Å; I500-L516 HydrophobicContact CG2-CD1 4.26Å; I500-L516 PolarHBondContact N-O 3.15Å; I500-L516 PolarHBondContact O-N 2.92Å; I500-L519 HydrophobicContact CD1-CD1 3.82Å; I500-L519 HydrophobicContact CG1-CD1 3.81Å; I500-V523 HydrophobicContact CD1-CG1 4.29Å; I500-V523 HydrophobicContact CG1-CB 4.49Å; I500-V523 HydrophobicContact CG1-CG1 4.08Å; I500-V523 HydrophobicContact CG1-CG2 3.99Å; I500-L526 HydrophobicContact CD1-CD1 3.83Å; I500-L526 HydrophobicContact CG2-CD2 4.21Å; I500-S535 VanDerWaalsContact CD1-CB 3.47Å; I500-W544 HydrophobicContact CD1-CZ2 4.46Å
501	K	98.3	Very high	92.7	Very high	29 Å²	29	38.7 Å²	38.7	13%	0.126	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	128.4	173.4	-74.4	178.2	-176.5	-179.4	0	110.1	A477 S494 W503 L512 E515	A477-K501 WeakPolarHBondContact O-CD 3.25Å; A477-K501 PolarHBondContact O-NZ 3.13Å; S494-K501 PolarHBondContact N-O 2.88Å; S494-K501 PolarHBondContact O-N 3.19Å; S494-K501 PolarHBondContact OG-O 3.19Å; K501-W503 HydrophobicContact CB-CZ2 3.96Å; K501-W503 HydrophobicContact CD-CH2 4.46Å; K501-W503 HydrophobicContact CD-CZ2 3.91Å; K501-L512 HydrophobicContact CB-CD1 3.72Å; K501-L512 HydrophobicContact CD-CD1 4.05Å; K501-L512 HydrophobicContact CG-CD1 3.86Å; K501-E515 WeakPolarHBondContact CE-OE2 3.21Å; K501-E515 HydrophobicContact CG-CB 4.41Å; K501-E515 HydrophobicContact CG-CG 3.94Å
502	V	97.8	Very high	92.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	120.2	176.8	-168.4	0	0	0	0	108.1	M491 F493 K513 K514 L516 L549	M491-V502 HydrophobicContact CB-CG1 4.16Å; M491-V502 HydrophobicContact CG-CG1 4.24Å; M491-V502 HydrophobicContact SD-CG1 3.86Å; F493-V502 HydrophobicContact CD1-CB 4.37Å; F493-V502 HydrophobicContact CD1-CG1 4.05Å; F493-V502 HydrophobicContact CD1-CG2 3.74Å; F493-V502 HydrophobicContact CE1-CB 4.35Å; F493-V502 HydrophobicContact CE1-CG1 3.72Å; F493-V502 HydrophobicContact CE1-CG2 3.76Å; F493-V502 HydrophobicContact CZ-CG1 4.07Å; V502-K513 WeakPolarHBondContact O-CB 3.47Å; V502-K513 PolarHBondContact O-N 3.03Å; V502-K514 HydrophobicContact CB-CB 4.45Å; V502-K514 WeakPolarHBondContact CB-O 3.29Å; V502-K514 HydrophobicContact CG2-CB 4.42Å; V502-K514 PolarHBondContact N-O 3.34Å; V502-K514 PolarHBondContact O-N 3.46Å; V502-L516 HydrophobicContact CG2-CD1 4Å; V502-L516 HydrophobicContact CG2-CD2 3.89Å; V502-L516 HydrophobicContact CG2-CG 3.82Å; V502-L549 HydrophobicContact CB-CD1 4.45Å; V502-L549 HydrophobicContact CG1-CD1 4.07Å; V502-L549 HydrophobicContact CG1-CD2 4.26Å; V502-L549 HydrophobicContact CG2-CD1 4.35Å; V502-L549 HydrophobicContact CG2-CD2 4.31Å
503	W	96.9	Very high	92.6	Very high	16 Å²	16	47.6 Å²	47.6	6%	0.061	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.8	179.1	-50.2	87.2	0	0	0	109.7	I475 A477 M491 L492 S494 K501 L510 K511 L512	I475-W503 HydrophobicContact CG2-CH2 4.22Å; I475-W503 HydrophobicContact CG2-CZ3 4.14Å; A477-W503 HydrophobicContact CB-CH2 4.31Å; A477-W503 HydrophobicContact CB-CZ2 3.68Å; M491-W503 CarbonylContact C-O 3.53Å; M491-W503 VanDerWaalsContact CA-O 3.24Å; M491-W503 WeakPolarHBondContact CA-O 3.49Å; L492-W503 HydrophobicContact CB-CB 4.38Å; L492-W503 PolarHBondContact N-O 2.84Å; L492-W503 PolarHBondContact O-N 3.07Å; S494-W503 PolarHBondContact OG-NE1 3.01Å; K501-W503 HydrophobicContact CB-CZ2 3.96Å; K501-W503 HydrophobicContact CD-CH2 4.46Å; K501-W503 HydrophobicContact CD-CZ2 3.91Å; W503-L510 HydrophobicContact CB-CB 4.25Å; W503-L510 HydrophobicContact CB-CD2 3.52Å; W503-L510 HydrophobicContact CE3-CB 4.18Å; W503-L510 HydrophobicContact CG-CD2 3.98Å; W503-K511 CarbonylContact C-O 3.52Å; W503-K511 VanDerWaalsContact CA-O 3.3Å; W503-K511 WeakPolarHBondContact CA-O 3.47Å; W503-L512 HydrophobicContact CD2-CD1 4.43Å; W503-L512 HydrophobicContact CE3-CB 4.01Å; W503-L512 HydrophobicContact CE3-CD1 4.41Å; W503-L512 HydrophobicContact CH2-CB 4.36Å; W503-L512 HydrophobicContact CH2-CD1 4.29Å; W503-L512 HydrophobicContact CZ2-CD1 4.31Å; W503-L512 HydrophobicContact CZ3-CB 3.78Å; W503-L512 HydrophobicContact CZ3-CD1 4.35Å
504	D	94.3	Very high	92.5	Very high	46 Å²	46	50.8 Å²	50.8	25%	0.246	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	138.8	162.5	-152.6	-57.6	0	0	0	109.3	V506 L510 K511 K513	D504-V506 WeakPolarHBondContact OD1-CB 3.49Å; D504-V506 VanDerWaalsContact OD1-CG2 3.31Å; D504-V506 WeakPolarHBondContact OD1-CG2 3.32Å; D504-V506 PolarHBondContact OD1-N 3.26Å; D504-L510 WeakPolarHBondContact O-CA 3.37Å; D504-K511 PolarHBondContact N-O 3.12Å; D504-K511 PolarHBondContact O-N 3.02Å; D504-K511 VanDerWaalsContact O-N 3.15Å; D504-K513 IonicContact OD2-NZ 3.79Å
505	I	91.6	Very high	92.4	Very high	19 Å²	19	54.8 Å²	54.8	10%	0.097	28%	0.284	C	S	.	.			trans	-119.7	10.9	179.4	51.2	168.3	0	0	0	113.1	Q448 Y453 N490 L492 G507 L510	Q448-I505 HydrophobicContact CB-CD1 4.11Å; Q448-I505 HydrophobicContact CG-CD1 3.75Å; Y453-I505 HydrophobicContact CE1-CG2 4.12Å; N490-I505 WeakPolarHBondContact O-CG1 3.4Å; N490-I505 PolarHBondContact O-N 3.04Å; L492-I505 HydrophobicContact CB-CG2 3.94Å; I505-G507 PolarHBondContact O-N 3.12Å; I505-L510 HydrophobicContact CG2-CD2 3.36Å; I505-L510 HydrophobicContact CG2-CG 4.07Å
506	V	85.9	Confident	92.4	Very high	100 Å²	100	55 Å²	55	61%	0.606	29%	0.285	S	S	*	.	S	Bend	trans	-70.3	99.5	171.1	-177.5	0	0	0	0	109.8	N490 D504	N490-V506 HydrophobicContact CB-CG2 3.71Å; D504-V506 WeakPolarHBondContact OD1-CB 3.49Å; D504-V506 VanDerWaalsContact OD1-CG2 3.31Å; D504-V506 WeakPolarHBondContact OD1-CG2 3.32Å; D504-V506 PolarHBondContact OD1-N 3.26Å
507	G	75.9	Confident	92.1	Very high	49 Å²	49	59 Å²	59	51%	0.505	31%	0.31	S	S	.	.	S	Bend	trans	121.7	-147.7	174.2	0	0	0	0	0	113.9	K451 I505	K451-G507 PolarHBondContact NZ-O 3.34Å; I505-G507 PolarHBondContact O-N 3.12Å
508	T	71.1	Confident	91.7	Very high	113 Å²	113	59 Å²	59	69%	0.693	32%	0.324	S	S	*	.	S	Bend	trans	-92.6	-32.7	-177.2	45.1	0	0	0	0	113.3
509	E	81.3	Confident	91.7	Very high	101 Å²	101	53.9 Å²	53.9	47%	0.472	30%	0.302	S	S	.	.	S	Bend	trans	-102.2	140.9	-177.2	-60.2	172.5	142.5	0	0	111	K511	E509-K511 HydrophobicContact CB-CG 4.49Å; E509-K511 WeakPolarHBondContact OE2-CE 3.32Å; E509-K511 IonicContact OE2-NZ 3.48Å; E509-K511 PolarHBondContact OE2-NZ 2.97Å
510	L	88.8	Confident	91.7	Very high	15 Å²	15	57 Å²	57	8%	0.079	32%	0.317	C	S	.	.			trans	-78	131.1	162.2	-72.3	128.4	0	0	0	109	Y453 I461 V463 I475 L492 W503 D504 I505	Y453-L510 HydrophobicContact CD1-CD1 4.19Å; Y453-L510 HydrophobicContact CD1-CD2 4.4Å; Y453-L510 HydrophobicContact CE1-CD1 4.07Å; Y453-L510 HydrophobicContact CE1-CD2 4.08Å; Y453-L510 HydrophobicContact CE1-CG 4.29Å; I461-L510 HydrophobicContact CG2-CD1 4.44Å; V463-L510 HydrophobicContact CG2-CD1 3.39Å; I475-L510 HydrophobicContact CD1-CB 3.71Å; I475-L510 HydrophobicContact CD1-CD1 4Å; I475-L510 HydrophobicContact CD1-CG 4.48Å; L492-L510 HydrophobicContact CB-CD2 4.11Å; L492-L510 HydrophobicContact CD2-CD2 3.65Å; W503-L510 HydrophobicContact CB-CB 4.25Å; W503-L510 HydrophobicContact CB-CD2 3.52Å; W503-L510 HydrophobicContact CE3-CB 4.18Å; W503-L510 HydrophobicContact CG-CD2 3.98Å; D504-L510 WeakPolarHBondContact O-CA 3.37Å; I505-L510 HydrophobicContact CG2-CD2 3.36Å; I505-L510 HydrophobicContact CG2-CG 4.07Å
511	K	91.5	Very high	91.6	Very high	123 Å²	123	59.9 Å²	59.9	54%	0.535	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.6	178	-66.5	-176	178.9	176.4	0	110.7	W503 D504 E509 K513	W503-K511 CarbonylContact C-O 3.52Å; W503-K511 VanDerWaalsContact CA-O 3.3Å; W503-K511 WeakPolarHBondContact CA-O 3.47Å; D504-K511 PolarHBondContact N-O 3.12Å; D504-K511 PolarHBondContact O-N 3.02Å; D504-K511 VanDerWaalsContact O-N 3.15Å; E509-K511 HydrophobicContact CB-CG 4.49Å; E509-K511 WeakPolarHBondContact OE2-CE 3.32Å; E509-K511 IonicContact OE2-NZ 3.48Å; E509-K511 PolarHBondContact OE2-NZ 2.97Å; K511-K513 PolarHBondContact O-N 3.35Å
512	L	95.4	Very high	91.6	Very high	91 Å²	91	61.3 Å²	61.3	48%	0.476	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	122.7	179.8	-177.1	62.5	0	0	0	109.6	K501 W503	K501-L512 HydrophobicContact CB-CD1 3.72Å; K501-L512 HydrophobicContact CD-CD1 4.05Å; K501-L512 HydrophobicContact CG-CD1 3.86Å; W503-L512 HydrophobicContact CD2-CD1 4.43Å; W503-L512 HydrophobicContact CE3-CB 4.01Å; W503-L512 HydrophobicContact CE3-CD1 4.41Å; W503-L512 HydrophobicContact CH2-CB 4.36Å; W503-L512 HydrophobicContact CH2-CD1 4.29Å; W503-L512 HydrophobicContact CZ2-CD1 4.31Å; W503-L512 HydrophobicContact CZ3-CB 3.78Å; W503-L512 HydrophobicContact CZ3-CD1 4.35Å
513	K	94.7	Very high	91.6	Very high	112 Å²	112	61.3 Å²	61.3	49%	0.487	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	-43.4	-172.9	-178.7	175.7	179.8	172.2	0	113.1	M491 V502 D504 K511	M491-K513 HydrophobicContact CG-CD 4.37Å; M491-K513 HydrophobicContact SD-CD 3.88Å; M491-K513 PolarHBondContact SD-NZ 3.2Å; V502-K513 WeakPolarHBondContact O-CB 3.47Å; V502-K513 PolarHBondContact O-N 3.03Å; D504-K513 IonicContact OD2-NZ 3.79Å; K511-K513 PolarHBondContact O-N 3.35Å
514	K	96.1	Very high	91.5	Very high	67 Å²	67	61.4 Å²	61.4	29%	0.291	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	151.4	175.5	-156.4	-178.8	-173.1	-175.5	0	108.6	V502 L516 T548 L549 D550	V502-K514 HydrophobicContact CB-CB 4.45Å; V502-K514 WeakPolarHBondContact CB-O 3.29Å; V502-K514 HydrophobicContact CG2-CB 4.42Å; V502-K514 PolarHBondContact N-O 3.34Å; V502-K514 PolarHBondContact O-N 3.46Å; K514-L516 HydrophobicContact CB-CD2 4.46Å; K514-L516 HydrophobicContact CD-CD2 3.92Å; K514-L516 HydrophobicContact CG-CD2 4.22Å; K514-T548 PolarHBondContact NZ-O 3.46Å; K514-L549 HydrophobicContact CB-CD1 3.96Å; K514-L549 HydrophobicContact CD-CB 3.5Å; K514-L549 VanDerWaalsContact CD-CB 3.5Å; K514-L549 HydrophobicContact CD-CD1 3.91Å; K514-L549 HydrophobicContact CD-CG 4.37Å; K514-L549 VanDerWaalsContact NZ-C 3.29Å; K514-L549 PolarHBondContact NZ-O 3.15Å; K514-D550 IonicContact NZ-OD1 3.64Å; K514-D550 PolarHBondContact NZ-OD1 2.99Å
515	E	97	Very high	91.6	Very high	85 Å²	85	59.2 Å²	59.2	40%	0.397	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	130.4	164.4	-170	171.6	132.3	0	0	108.9	A499 K501 T517	A499-E515 HydrophobicContact CB-CG 4.2Å; K501-E515 WeakPolarHBondContact CE-OE2 3.21Å; K501-E515 HydrophobicContact CG-CB 4.41Å; K501-E515 HydrophobicContact CG-CG 3.94Å; E515-T517 HydrophobicContact CG-CG2 4.03Å
516	L	96.9	Very high	91.9	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.021	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	115.5	178.3	-39.3	-177.7	0	0	0	107.8	I500 V502 K514 L533 W544 L549	I500-L516 HydrophobicContact CB-CB 4.12Å; I500-L516 HydrophobicContact CB-CD1 4.22Å; I500-L516 HydrophobicContact CB-CG 4.27Å; I500-L516 HydrophobicContact CD1-CD1 4.45Å; I500-L516 HydrophobicContact CG2-CD1 4.26Å; I500-L516 PolarHBondContact N-O 3.15Å; I500-L516 PolarHBondContact O-N 2.92Å; V502-L516 HydrophobicContact CG2-CD1 4Å; V502-L516 HydrophobicContact CG2-CD2 3.89Å; V502-L516 HydrophobicContact CG2-CG 3.82Å; K514-L516 HydrophobicContact CB-CD2 4.46Å; K514-L516 HydrophobicContact CD-CD2 3.92Å; K514-L516 HydrophobicContact CG-CD2 4.22Å; L516-L533 HydrophobicContact CD1-CD2 3.89Å; L516-W544 HydrophobicContact CB-CE3 4.2Å; L516-W544 HydrophobicContact CB-CH2 3.81Å; L516-W544 HydrophobicContact CB-CZ2 4.31Å; L516-W544 HydrophobicContact CB-CZ3 3.75Å; L516-W544 HydrophobicContact CD1-CD2 4.09Å; L516-W544 HydrophobicContact CD1-CE3 4.09Å; L516-W544 HydrophobicContact CD1-CG 4.48Å; L516-W544 HydrophobicContact CD1-CZ3 4.49Å; L516-L549 HydrophobicContact CD2-CB 4.04Å; L516-L549 WeakPolarHBondContact CD2-O 3.47Å
517	T	91.4	Very high	92.4	Very high	87 Å²	87	54.3 Å²	54.3	53%	0.534	30%	0.295	S	S	.	.			trans	-116.5	-179.3	-170.7	61.5	0	0	0	0	111.5	E515	E515-T517 HydrophobicContact CG-CG2 4.03Å
518	G	90	Very high	93.3	Very high	57 Å²	57	52.1 Å²	52.1	59%	0.588	27%	0.272	S	S	*	.			trans	75.1	27.6	-177.3	0	0	0	0	0	113.6	K542	G518-K542 WeakPolarHBondContact O-CE 3.49Å; G518-K542 PolarHBondContact O-NZ 2.76Å
519	L	96.1	Very high	94.3	Very high	8 Å²	8	47.8 Å²	47.8	4%	0.042	25%	0.247	C	C	.	.			trans	-92.6	144.2	164.4	-66	136.1	0	0	0	108.7	K498 I500 V523 K542 W544	K498-L519 WeakPolarHBondContact CB-O 3.48Å; I500-L519 HydrophobicContact CD1-CD1 3.82Å; I500-L519 HydrophobicContact CG1-CD1 3.81Å; L519-V523 HydrophobicContact CB-CG2 4.42Å; L519-V523 HydrophobicContact CD1-CG2 3.84Å; L519-V523 HydrophobicContact CD2-CG2 4.22Å; L519-V523 HydrophobicContact CG-CG2 4.38Å; L519-K542 HydrophobicContact CD2-CD 4.15Å; L519-K542 HydrophobicContact CD2-CG 4.41Å; L519-K542 HydrophobicContact CG-CD 4.47Å; L519-W544 HydrophobicContact CD1-CZ2 4.15Å; L519-W544 HydrophobicContact CD2-CZ2 4.26Å; L519-W544 HydrophobicContact CG-CZ2 4.23Å
520	N	95.7	Very high	94.6	Very high	74 Å²	74	48.3 Å²	48.3	40%	0.396	25%	0.25	S	C	.	.			trans	-89	-17.6	-169.3	63.4	6.1	0	0	0	114.3	K498 S537 Y538	K498-N520 VanDerWaalsContact CE-O 3.28Å; K498-N520 WeakPolarHBondContact CE-O 3.44Å; N520-S537 VanDerWaalsContact OD1-CB 3.3Å; N520-S537 WeakPolarHBondContact OD1-CB 3.49Å; N520-S537 PolarHBondContact OD1-OG 3.41Å; N520-S537 VanDerWaalsContact OD1-OG 3.09Å; N520-Y538 PolarHBondContact ND2-O 2.73Å; N520-Y538 WeakPolarHBondContact OD1-CB 3.22Å; N520-Y538 PolarHBondContact OD1-N 2.95Å; N520-Y538 PolarHBondContact OD1-O 2.96Å
521	H	96.9	Very high	94.9	Very high	62 Å²	62	50.1 Å²	50.1	29%	0.287	26%	0.264	S	S	.	.	S	Bend	trans	-150.1	-169.1	-169.7	-165.3	-119	0	0	0	111.6	K498 V523 S561	K498-H521 WeakPolarHBondContact CA-O 3.48Å; K498-H521 PolarHBondContact N-O 2.94Å; H521-V523 PolarHBondContact O-N 2.74Å; H521-S561 PolarHBondContact ND1-OG 3.38Å
522	W	97.4	Very high	95.1	Very high	59 Å²	59	47.8 Å²	47.8	22%	0.223	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-56.1	128.2	169.1	-67.1	79.7	0	0	0	111.3	P481 C483 L497 R524	P481-W522 HydrophobicContact CB-CZ3 4.03Å; P481-W522 HydrophobicContact CG-CH2 4.05Å; P481-W522 HydrophobicContact CG-CZ3 4.08Å; C483-W522 WeakPolarHBondContact SG-CZ3 3.42Å; L497-W522 HydrophobicContact CD1-CD2 4.28Å; L497-W522 HydrophobicContact CD1-CG 4Å; W522-R524 HydrophobicContact CB-CG 3.89Å; W522-R524 VanDerWaalsContact CD2-NH2 3.26Å; W522-R524 VanDerWaalsContact CE3-NH2 3.31Å; W522-R524 PolarHBondContact O-N 3.07Å; W522-R524 VanDerWaalsContact O-N 3.12Å
523	V	97.8	Very high	95.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.23	C	C	.	.			trans	-80.8	88.8	168.5	-173.2	0	0	0	0	108	T484 S496 I500 L519 H521	T484-V523 HydrophobicContact CG2-CG1 4.18Å; T484-V523 WeakPolarHBondContact CG2-O 3.42Å; S496-V523 WeakPolarHBondContact O-CG2 3.49Å; S496-V523 PolarHBondContact O-N 3.45Å; I500-V523 HydrophobicContact CD1-CG1 4.29Å; I500-V523 HydrophobicContact CG1-CB 4.49Å; I500-V523 HydrophobicContact CG1-CG1 4.08Å; I500-V523 HydrophobicContact CG1-CG2 3.99Å; L519-V523 HydrophobicContact CB-CG2 4.42Å; L519-V523 HydrophobicContact CD1-CG2 3.84Å; L519-V523 HydrophobicContact CD2-CG2 4.22Å; L519-V523 HydrophobicContact CG-CG2 4.38Å; H521-V523 PolarHBondContact O-N 2.74Å
524	R	96.1	Very high	95.3	Very high	17 Å²	17	38.1 Å²	38.1	6%	0.064	21%	0.207	C	C	.	.			trans	-95.8	-6	176.9	-63.1	-157.4	-176.8	-64.6	-4.5	113.7	F34 C483 W522 Y563	F34-R524 WeakPolarHBondContact CD1-O 3.47Å; F34-R524 WeakPolarHBondContact CE1-O 3.44Å; C483-R524 PolarHBondContact SG-NH1 2.95Å; W522-R524 HydrophobicContact CB-CG 3.89Å; W522-R524 VanDerWaalsContact CD2-NH2 3.26Å; W522-R524 VanDerWaalsContact CE3-NH2 3.31Å; W522-R524 PolarHBondContact O-N 3.07Å; W522-R524 VanDerWaalsContact O-N 3.12Å; R524-Y563 HydrophobicContact CB-CD1 4.48Å
525	A	96.1	Very high	95.4	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	131.3	175.1	0	0	0	0	0	110.5	S535 G536 V562 I565	A525-S535 CarbonylContact O-C 3.58Å; A525-S535 WeakPolarHBondContact O-CA 3.27Å; A525-G536 PolarHBondContact O-N 3.05Å; A525-V562 HydrophobicContact CB-CG1 3.84Å; A525-I565 HydrophobicContact CB-CB 4.13Å; A525-I565 HydrophobicContact CB-CD1 3.8Å; A525-I565 HydrophobicContact CB-CG1 3.7Å
526	L	97.2	Very high	95.5	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.016	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	122.3	-178.7	-166.8	65.2	0	0	0	111	F34 T484 V486 F493 I500 L533 Y534	F34-L526 VanDerWaalsContact CZ-N 3.33Å; F34-L526 WeakPolarHBondContact CZ-O 3.19Å; T484-L526 HydrophobicContact CG2-CB 3.63Å; T484-L526 HydrophobicContact CG2-CD2 3.95Å; T484-L526 HydrophobicContact CG2-CG 4.45Å; T484-L526 WeakPolarHBondContact OG1-CB 3.47Å; V486-L526 HydrophobicContact CG1-CD2 3.94Å; V486-L526 HydrophobicContact CG1-CG 3.78Å; F493-L526 HydrophobicContact CB-CD2 3.9Å; I500-L526 HydrophobicContact CD1-CD1 3.83Å; I500-L526 HydrophobicContact CG2-CD2 4.21Å; L526-L533 HydrophobicContact CD1-CD1 3.88Å; L526-L533 HydrophobicContact CD1-CD2 4.02Å; L526-L533 HydrophobicContact CD1-CG 3.87Å; L526-L533 HydrophobicContact CG-CD1 4.13Å; L526-Y534 CarbonylContact C-O 3.59Å; L526-Y534 VanDerWaalsContact CA-O 3.3Å; L526-Y534 WeakPolarHBondContact CA-O 3.41Å
527	V	96.8	Very high	95.4	Very high	13 Å²	13	30.8 Å²	30.8	8%	0.079	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	135.7	179	177.4	0	0	0	0	109.3	T32 A529 L533 Y534 I565 V567	T32-V527 HydrophobicContact CG2-CG2 3.8Å; V527-A529 HydrophobicContact CG1-CB 4.35Å; V527-L533 CarbonylContact O-C 3.52Å; V527-L533 WeakPolarHBondContact O-CA 3.48Å; V527-Y534 PolarHBondContact N-O 2.91Å; V527-Y534 PolarHBondContact O-N 3.26Å; V527-I565 HydrophobicContact CB-CG2 4.18Å; V527-I565 HydrophobicContact CG2-CB 3.99Å; V527-I565 HydrophobicContact CG2-CG2 3.78Å; V527-I565 VanDerWaalsContact CG2-O 3.27Å; V527-I565 WeakPolarHBondContact CG2-O 3.47Å; V527-V567 HydrophobicContact CB-CG2 4.4Å; V527-V567 HydrophobicContact CG1-CB 4.41Å; V527-V567 HydrophobicContact CG1-CG2 3.93Å
528	A	95.3	Very high	95.7	Very high	4 Å²	4	31.3 Å²	31.3	3%	0.033	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	131.5	161.8	0	0	0	0	0	108.4	M30 V486 Y532 L533 I546	M30-A528 HydrophobicContact SD-CB 3.91Å; V486-A528 HydrophobicContact CG1-CB 4.24Å; V486-A528 HydrophobicContact CG2-CB 4.01Å; A528-Y532 WeakPolarHBondContact CA-O 3.36Å; A528-L533 HydrophobicContact CB-CD1 4.25Å; A528-I546 HydrophobicContact CB-CD1 4Å
529	A	92.8	Very high	96	Very high	21 Å²	21	32 Å²	32	17%	0.174	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	140.3	175.9	0	0	0	0	0	109.5	V527 S531 Y532 Y534 V567	V527-A529 HydrophobicContact CG1-CB 4.35Å; A529-S531 PolarHBondContact O-N 2.67Å; A529-Y532 PolarHBondContact N-O 2.94Å; A529-Y532 PolarHBondContact O-N 3.14Å; A529-Y534 HydrophobicContact CB-CE2 4.09Å; A529-V567 HydrophobicContact CB-CB 3.85Å; A529-V567 HydrophobicContact CB-CG1 3.8Å; A529-V567 HydrophobicContact CB-CG2 4.26Å
530	Q	87.3	Confident	96.1	Very high	112 Å²	112	32.3 Å²	32.3	52%	0.523	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	-124.2	-174.1	-52.3	170.3	-3.9	0	0	110.2
531	S	93.4	Very high	96.2	Very high	54 Å²	54	28.8 Å²	28.8	38%	0.378	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	6.3	175.8	-57.4	0	0	0	0	113.9	A529 I546	A529-S531 PolarHBondContact O-N 2.67Å; S531-I546 WeakPolarHBondContact O-CB 3.41Å; S531-I546 WeakPolarHBondContact O-CG1 3.45Å; S531-I546 PolarHBondContact O-N 2.96Å
532	Y	96.1	Very high	96.2	Very high	73 Å²	73	27.7 Å²	27.7	29%	0.286	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	143.6	-165.9	-57.7	-59.3	0	0	0	113.9	A528 A529 I543 W544 I546 I552	A528-Y532 WeakPolarHBondContact CA-O 3.36Å; A529-Y532 PolarHBondContact N-O 2.94Å; A529-Y532 PolarHBondContact O-N 3.14Å; Y532-I543 HydrophobicContact CD1-CG2 4.34Å; Y532-I543 HydrophobicContact CG-CG2 4.2Å; Y532-W544 VanDerWaalsContact CA-O 3.31Å; Y532-W544 WeakPolarHBondContact CA-O 3.46Å; Y532-I546 VanDerWaalsContact C-CD1 3.49Å; Y532-I546 WeakPolarHBondContact O-CD1 3.21Å; Y532-I552 HydrophobicContact CD1-CD1 3.65Å; Y532-I552 HydrophobicContact CE1-CD1 3.4Å; Y532-I552 VanDerWaalsContact CE1-CD1 3.4Å
533	L	97.6	Very high	96.3	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	137.7	166.7	-171.1	75.9	0	0	0	108.3	V486 F493 L516 L526 V527 A528 I543 W544 I546	V486-L533 HydrophobicContact CG1-CD1 3.81Å; F493-L533 HydrophobicContact CB-CD1 4.22Å; F493-L533 HydrophobicContact CD1-CD1 4Å; F493-L533 HydrophobicContact CD1-CD2 3.45Å; F493-L533 VanDerWaalsContact CD1-CD2 3.45Å; F493-L533 HydrophobicContact CD1-CG 4.35Å; F493-L533 HydrophobicContact CD2-CD1 4.19Å; F493-L533 HydrophobicContact CE1-CD1 4.42Å; F493-L533 HydrophobicContact CE1-CD2 3.79Å; F493-L533 HydrophobicContact CG-CD1 3.88Å; F493-L533 HydrophobicContact CG-CD2 4.15Å; L516-L533 HydrophobicContact CD1-CD2 3.89Å; L526-L533 HydrophobicContact CD1-CD1 3.88Å; L526-L533 HydrophobicContact CD1-CD2 4.02Å; L526-L533 HydrophobicContact CD1-CG 3.87Å; L526-L533 HydrophobicContact CG-CD1 4.13Å; V527-L533 CarbonylContact O-C 3.52Å; V527-L533 WeakPolarHBondContact O-CA 3.48Å; A528-L533 HydrophobicContact CB-CD1 4.25Å; L533-I543 CarbonylContact O-C 3.57Å; L533-I543 WeakPolarHBondContact O-CA 3.31Å; L533-W544 HydrophobicContact CB-CB 4.21Å; L533-W544 HydrophobicContact CD2-CG 4.45Å; L533-W544 PolarHBondContact N-O 3.45Å; L533-W544 PolarHBondContact O-N 3.11Å; L533-I546 HydrophobicContact CB-CG1 4.11Å
534	Y	98	Very high	96.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	118.9	179.3	-58.7	-103.1	0	0	0	108.1	L526 V527 A529 K542 I543 V567 I572	L526-Y534 CarbonylContact C-O 3.59Å; L526-Y534 VanDerWaalsContact CA-O 3.3Å; L526-Y534 WeakPolarHBondContact CA-O 3.41Å; V527-Y534 PolarHBondContact N-O 2.91Å; V527-Y534 PolarHBondContact O-N 3.26Å; A529-Y534 HydrophobicContact CB-CE2 4.09Å; Y534-K542 WeakPolarHBondContact CA-O 3.17Å; Y534-I543 HydrophobicContact CD1-CD1 4.21Å; Y534-I543 HydrophobicContact CD1-CG1 3.94Å; Y534-I543 HydrophobicContact CD1-CG2 4.2Å; Y534-I543 HydrophobicContact CE1-CD1 3.97Å; Y534-I543 HydrophobicContact CE1-CG1 4.14Å; Y534-I543 HydrophobicContact CE1-CG2 3.99Å; Y534-V567 HydrophobicContact CD1-CG2 4.3Å; Y534-V567 HydrophobicContact CD2-CG2 3.81Å; Y534-V567 HydrophobicContact CE1-CG2 4.41Å; Y534-V567 HydrophobicContact CE2-CG1 4.35Å; Y534-V567 HydrophobicContact CE2-CG2 3.94Å; Y534-V567 HydrophobicContact CG-CG2 4Å; Y534-I572 HydrophobicContact CD1-CD1 4.16Å; Y534-I572 HydrophobicContact CD1-CG1 4.38Å; Y534-I572 HydrophobicContact CD1-CG2 4.27Å; Y534-I572 HydrophobicContact CE1-CD1 3.65Å; Y534-I572 HydrophobicContact CE1-CG1 3.88Å
535	S	98.1	Very high	96.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	122.8	-176.7	65.4	0	0	0	0	112.1	I500 A525 I541 K542 W544	I500-S535 VanDerWaalsContact CD1-CB 3.47Å; A525-S535 CarbonylContact O-C 3.58Å; A525-S535 WeakPolarHBondContact O-CA 3.27Å; S535-I541 WeakPolarHBondContact O-CA 3.46Å; S535-K542 PolarHBondContact N-O 3.28Å; S535-K542 PolarHBondContact O-N 2.88Å; S535-W544 PolarHBondContact OG-NE1 3.17Å
536	G	97.4	Very high	96.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	134.1	176.1	0	0	0	0	0	112	A525 T540 I565	A525-G536 PolarHBondContact O-N 3.05Å; G536-T540 WeakPolarHBondContact CA-O 3.46Å; G536-I565 VanDerWaalsContact N-CD1 3.32Å
537	S	96.4	Very high	96.1	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.007	16%	0.158	C	C	.	.			trans	-127.7	-139.9	169.1	50.3	0	0	0	0	110.1	N520 T540 V562	N520-S537 VanDerWaalsContact OD1-CB 3.3Å; N520-S537 WeakPolarHBondContact OD1-CB 3.49Å; N520-S537 PolarHBondContact OD1-OG 3.41Å; N520-S537 VanDerWaalsContact OD1-OG 3.09Å; S537-T540 PolarHBondContact N-O 3.37Å; S537-T540 PolarHBondContact OG-OG1 3.44Å; S537-V562 PolarHBondContact O-N 3.2Å
538	Y	97.3	Very high	96	Very high	98 Å²	98	37.2 Å²	37.2	38%	0.384	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	123.2	176.3	-172.8	-93.4	0	0	0	110.2	N520 T540	N520-Y538 PolarHBondContact ND2-O 2.73Å; N520-Y538 WeakPolarHBondContact OD1-CB 3.22Å; N520-Y538 PolarHBondContact OD1-N 2.95Å; N520-Y538 PolarHBondContact OD1-O 2.96Å; Y538-T540 PolarHBondContact O-N 3.44Å; Y538-T540 PolarHBondContact O-OG1 3.07Å
539	Q	96.6	Very high	96	Very high	72 Å²	72	37.6 Å²	37.6	34%	0.336	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	51.9	19.9	177.6	-69.6	179.4	-21.9	0	0	115.4	T557 G560	Q539-T557 WeakPolarHBondContact CA-O 3.33Å; Q539-T557 WeakPolarHBondContact CA-OG1 3.36Å; Q539-T557 VanDerWaalsContact CB-O 3.25Å; Q539-T557 WeakPolarHBondContact CB-O 3.28Å; Q539-T557 PolarHBondContact O-N 2.9Å; Q539-G560 WeakPolarHBondContact CG-O 3.44Å; Q539-G560 PolarHBondContact N-O 2.84Å
540	T	97.3	Very high	96.1	Very high	15 Å²	15	40.4 Å²	40.4	9%	0.092	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	140.4	-170.9	46.4	0	0	0	0	112.3	G536 S537 Y538 V554 L555	G536-T540 WeakPolarHBondContact CA-O 3.46Å; S537-T540 PolarHBondContact N-O 3.37Å; S537-T540 PolarHBondContact OG-OG1 3.44Å; Y538-T540 PolarHBondContact O-N 3.44Å; Y538-T540 PolarHBondContact O-OG1 3.07Å; T540-V554 HydrophobicContact CG2-CG1 4.24Å; T540-L555 WeakPolarHBondContact CA-O 3.45Å
541	I	98	Very high	96.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	119.7	165	-53.9	168	0	0	0	108	S535 V554 L555 T557 V562 I565 C574 W584	S535-I541 WeakPolarHBondContact O-CA 3.46Å; I541-V554 CarbonylContact O-C 3.58Å; I541-V554 WeakPolarHBondContact O-CA 3.47Å; I541-L555 HydrophobicContact CB-CB 4.24Å; I541-L555 HydrophobicContact CB-CD1 4.39Å; I541-L555 HydrophobicContact CD1-CD1 4.39Å; I541-L555 PolarHBondContact N-O 3.15Å; I541-L555 PolarHBondContact O-N 3.36Å; I541-T557 HydrophobicContact CD1-CG2 4.04Å; I541-T557 HydrophobicContact CG1-CG2 3.86Å; I541-V562 HydrophobicContact CG1-CG2 4.35Å; I541-I565 HydrophobicContact CD1-CD1 4.42Å; I541-I565 HydrophobicContact CG1-CD1 4.15Å; I541-I565 HydrophobicContact CG2-CD1 3.75Å; I541-C574 HydrophobicContact CD1-CB 3.64Å; I541-W584 HydrophobicContact CD1-CE3 4.2Å; I541-W584 HydrophobicContact CD1-CH2 3.82Å; I541-W584 HydrophobicContact CD1-CZ3 3.55Å
542	K	98.1	Very high	96.7	Very high	38 Å²	38	39 Å²	39	17%	0.165	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	136.4	171.9	-64.6	-163.8	156.7	-166.4	0	110.6	G518 L519 Y534 S535 W544 V554	G518-K542 WeakPolarHBondContact O-CE 3.49Å; G518-K542 PolarHBondContact O-NZ 2.76Å; L519-K542 HydrophobicContact CD2-CD 4.15Å; L519-K542 HydrophobicContact CD2-CG 4.41Å; L519-K542 HydrophobicContact CG-CD 4.47Å; Y534-K542 WeakPolarHBondContact CA-O 3.17Å; S535-K542 PolarHBondContact N-O 3.28Å; S535-K542 PolarHBondContact O-N 2.88Å; K542-W544 HydrophobicContact CB-CZ2 3.85Å; K542-W544 HydrophobicContact CD-CH2 4.14Å; K542-W544 HydrophobicContact CD-CZ2 3.73Å; K542-W544 HydrophobicContact CG-CZ2 4.4Å; K542-V554 HydrophobicContact CD-CG2 4.43Å; K542-V554 HydrophobicContact CG-CG1 4.15Å; K542-V554 HydrophobicContact CG-CG2 4.1Å
543	I	97.8	Very high	96.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	131.4	173.7	-46.1	-178.6	0	0	0	107.9	Y532 L533 Y534 C551 I552 H553 L555 I572 K589	Y532-I543 HydrophobicContact CD1-CG2 4.34Å; Y532-I543 HydrophobicContact CG-CG2 4.2Å; L533-I543 CarbonylContact O-C 3.57Å; L533-I543 WeakPolarHBondContact O-CA 3.31Å; Y534-I543 HydrophobicContact CD1-CD1 4.21Å; Y534-I543 HydrophobicContact CD1-CG1 3.94Å; Y534-I543 HydrophobicContact CD1-CG2 4.2Å; Y534-I543 HydrophobicContact CE1-CD1 3.97Å; Y534-I543 HydrophobicContact CE1-CG1 4.14Å; Y534-I543 HydrophobicContact CE1-CG2 3.99Å; I543-C551 CarbonylContact O-C 3.55Å; I543-I552 HydrophobicContact CB-CG1 4.17Å; I543-I552 HydrophobicContact CG2-CD1 4.02Å; I543-I552 HydrophobicContact CG2-CG1 4.08Å; I543-I552 VanDerWaalsContact O-CG1 3.3Å; I543-I552 WeakPolarHBondContact O-CG1 3.47Å; I543-I552 PolarHBondContact O-N 3.18Å; I543-H553 HydrophobicContact CB-CB 4.2Å; I543-H553 HydrophobicContact CD1-CB 4.23Å; I543-H553 HydrophobicContact CG1-CB 4.36Å; I543-H553 PolarHBondContact N-O 3.34Å; I543-H553 PolarHBondContact O-N 3.29Å; I543-L555 HydrophobicContact CD1-CD1 4.39Å; I543-L555 HydrophobicContact CD1-CG 4.47Å; I543-I572 HydrophobicContact CD1-CD1 3.94Å; I543-K589 HydrophobicContact CD1-CD 4.37Å
544	W	97.8	Very high	96.7	Very high	13 Å²	13	41.6 Å²	41.6	5%	0.049	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	140.7	-177.3	-37.2	71.4	0	0	0	110.4	I500 L516 L519 Y532 L533 S535 K542 D550 C551	I500-W544 HydrophobicContact CD1-CZ2 4.46Å; L516-W544 HydrophobicContact CB-CE3 4.2Å; L516-W544 HydrophobicContact CB-CH2 3.81Å; L516-W544 HydrophobicContact CB-CZ2 4.31Å; L516-W544 HydrophobicContact CB-CZ3 3.75Å; L516-W544 HydrophobicContact CD1-CD2 4.09Å; L516-W544 HydrophobicContact CD1-CE3 4.09Å; L516-W544 HydrophobicContact CD1-CG 4.48Å; L516-W544 HydrophobicContact CD1-CZ3 4.49Å; L519-W544 HydrophobicContact CD1-CZ2 4.15Å; L519-W544 HydrophobicContact CD2-CZ2 4.26Å; L519-W544 HydrophobicContact CG-CZ2 4.23Å; Y532-W544 VanDerWaalsContact CA-O 3.31Å; Y532-W544 WeakPolarHBondContact CA-O 3.46Å; L533-W544 HydrophobicContact CB-CB 4.21Å; L533-W544 HydrophobicContact CD2-CG 4.45Å; L533-W544 PolarHBondContact N-O 3.45Å; L533-W544 PolarHBondContact O-N 3.11Å; S535-W544 PolarHBondContact OG-NE1 3.17Å; K542-W544 HydrophobicContact CB-CZ2 3.85Å; K542-W544 HydrophobicContact CD-CH2 4.14Å; K542-W544 HydrophobicContact CD-CZ2 3.73Å; K542-W544 HydrophobicContact CG-CZ2 4.4Å; W544-D550 WeakPolarHBondContact CA-O 3.44Å; W544-D550 WeakPolarHBondContact CB-O 3.48Å; W544-C551 HydrophobicContact CD2-CB 4.15Å; W544-C551 HydrophobicContact CE3-CB 3.62Å; W544-C551 HydrophobicContact CH2-CB 4.23Å; W544-C551 HydrophobicContact CZ3-CB 3.66Å
545	D	96.7	Very high	96.7	Very high	12 Å²	12	42 Å²	42	6%	0.064	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	128	168.7	-177.3	-71.2	0	0	0	109.5	R547 T548 L549 D550 I552	D545-R547 PolarHBondContact O-N 3.08Å; D545-R547 WeakPolarHBondContact OD1-CA 3.29Å; D545-R547 WeakPolarHBondContact OD1-CB 3.4Å; D545-R547 PolarHBondContact OD1-N 3.5Å; D545-R547 IonicContact OD1-NE 3.91Å; D545-R547 PolarHBondContact OD1-NE 3.16Å; D545-R547 IonicContact OD1-NH2 3.71Å; D545-R547 IonicContact OD2-CZ 2.93Å; D545-R547 IonicContact OD2-NE 3.39Å; D545-R547 PolarHBondContact OD2-NE 3.43Å; D545-R547 IonicContact OD2-NH2 3.69Å; D545-R547 PolarHBondContact OD2-NH2 3.08Å; D545-T548 PolarHBondContact OD1-N 3.09Å; D545-T548 VanDerWaalsContact OD1-N 3.14Å; D545-L549 WeakPolarHBondContact O-CA 3.18Å; D545-L549 PolarHBondContact O-N 2.9Å; D545-D550 PolarHBondContact N-O 3.41Å; D545-D550 VanDerWaalsContact N-O 3.16Å; D545-I552 HydrophobicContact CB-CG2 4.26Å
546	I	95.3	Very high	96.6	Very high	5 Å²	5	47.9 Å²	47.9	3%	0.026	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-22.4	-175.5	-74.1	175.7	0	0	0	112.7	M491 F493 A528 S531 Y532 L533 L549	M491-I546 HydrophobicContact CE-CG2 3.74Å; M491-I546 WeakPolarHBondContact CE-O 3.4Å; F493-I546 HydrophobicContact CZ-CG1 4.47Å; F493-I546 HydrophobicContact CZ-CG2 4.28Å; A528-I546 HydrophobicContact CB-CD1 4Å; S531-I546 WeakPolarHBondContact O-CB 3.41Å; S531-I546 WeakPolarHBondContact O-CG1 3.45Å; S531-I546 PolarHBondContact O-N 2.96Å; Y532-I546 VanDerWaalsContact C-CD1 3.49Å; Y532-I546 WeakPolarHBondContact O-CD1 3.21Å; L533-I546 HydrophobicContact CB-CG1 4.11Å; I546-L549 VanDerWaalsContact O-CD2 3.23Å; I546-L549 WeakPolarHBondContact O-CD2 3.34Å
547	R	93.3	Very high	96.4	Very high	188 Å²	188	48.5 Å²	48.5	71%	0.709	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-45.2	-175.8	-51.5	164.4	-67.4	177.3	-1	111.5	D545	D545-R547 PolarHBondContact O-N 3.08Å; D545-R547 WeakPolarHBondContact OD1-CA 3.29Å; D545-R547 WeakPolarHBondContact OD1-CB 3.4Å; D545-R547 PolarHBondContact OD1-N 3.5Å; D545-R547 IonicContact OD1-NE 3.91Å; D545-R547 PolarHBondContact OD1-NE 3.16Å; D545-R547 IonicContact OD1-NH2 3.71Å; D545-R547 IonicContact OD2-CZ 2.93Å; D545-R547 IonicContact OD2-NE 3.39Å; D545-R547 PolarHBondContact OD2-NE 3.43Å; D545-R547 IonicContact OD2-NH2 3.69Å; D545-R547 PolarHBondContact OD2-NH2 3.08Å
548	T	94.9	Very high	96.2	Very high	74 Å²	74	51.3 Å²	51.3	45%	0.454	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-23.9	177.9	85.6	0	0	0	0	112.4	K514 D545 D550	K514-T548 PolarHBondContact NZ-O 3.46Å; D545-T548 PolarHBondContact OD1-N 3.09Å; D545-T548 VanDerWaalsContact OD1-N 3.14Å; T548-D550 VanDerWaalsContact C-N 3.34Å; T548-D550 WeakPolarHBondContact CB-OD2 3.24Å; T548-D550 PolarHBondContact OG1-N 3.11Å; T548-D550 PolarHBondContact OG1-OD2 3.3Å
549	L	95.5	Very high	95.8	Very high	12 Å²	12	46.7 Å²	46.7	6%	0.063	24%	0.237	C	C	.	.			trans	63.5	34.4	-176.2	-56.5	171.7	0	0	0	113	M491 F493 V502 K514 L516 D545 I546	M491-L549 HydrophobicContact SD-CD1 4.4Å; M491-L549 HydrophobicContact SD-CD2 4.49Å; F493-L549 HydrophobicContact CE1-CD2 3.63Å; F493-L549 HydrophobicContact CZ-CD2 3.9Å; V502-L549 HydrophobicContact CB-CD1 4.45Å; V502-L549 HydrophobicContact CG1-CD1 4.07Å; V502-L549 HydrophobicContact CG1-CD2 4.26Å; V502-L549 HydrophobicContact CG2-CD1 4.35Å; V502-L549 HydrophobicContact CG2-CD2 4.31Å; K514-L549 HydrophobicContact CB-CD1 3.96Å; K514-L549 HydrophobicContact CD-CB 3.5Å; K514-L549 VanDerWaalsContact CD-CB 3.5Å; K514-L549 HydrophobicContact CD-CD1 3.91Å; K514-L549 HydrophobicContact CD-CG 4.37Å; K514-L549 VanDerWaalsContact NZ-C 3.29Å; K514-L549 PolarHBondContact NZ-O 3.15Å; L516-L549 HydrophobicContact CD2-CB 4.04Å; L516-L549 WeakPolarHBondContact CD2-O 3.47Å; D545-L549 WeakPolarHBondContact O-CA 3.18Å; D545-L549 PolarHBondContact O-N 2.9Å; I546-L549 VanDerWaalsContact O-CD2 3.23Å; I546-L549 WeakPolarHBondContact O-CD2 3.34Å
550	D	95.7	Very high	95.8	Very high	80 Å²	80	43.3 Å²	43.3	43%	0.428	22%	0.222	S	C	.	.			trans	-113.2	149	-179.5	-52.5	-54.3	0	0	0	111.8	K514 W544 D545 T548 I552	K514-D550 IonicContact NZ-OD1 3.64Å; K514-D550 PolarHBondContact NZ-OD1 2.99Å; W544-D550 WeakPolarHBondContact CA-O 3.44Å; W544-D550 WeakPolarHBondContact CB-O 3.48Å; D545-D550 PolarHBondContact N-O 3.41Å; D545-D550 VanDerWaalsContact N-O 3.16Å; T548-D550 VanDerWaalsContact C-N 3.34Å; T548-D550 WeakPolarHBondContact CB-OD2 3.24Å; T548-D550 PolarHBondContact OG1-N 3.11Å; T548-D550 PolarHBondContact OG1-OD2 3.3Å; D550-I552 PolarHBondContact O-N 3.31Å
551	C	96.8	Very high	95.7	Very high	50 Å²	50	43 Å²	43	34%	0.338	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	105.6	-178.9	-178	0	0	0	0	110.2	I543 W544	I543-C551 CarbonylContact O-C 3.55Å; W544-C551 HydrophobicContact CD2-CB 4.15Å; W544-C551 HydrophobicContact CE3-CB 3.62Å; W544-C551 HydrophobicContact CH2-CB 4.23Å; W544-C551 HydrophobicContact CZ3-CB 3.66Å
552	I	96.4	Very high	95.7	Very high	86 Å²	86	43 Å²	43	44%	0.441	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-25.1	-178.2	59.1	164.5	0	0	0	113.4	Y532 I543 D545 D550	Y532-I552 HydrophobicContact CD1-CD1 3.65Å; Y532-I552 HydrophobicContact CE1-CD1 3.4Å; Y532-I552 VanDerWaalsContact CE1-CD1 3.4Å; I543-I552 HydrophobicContact CB-CG1 4.17Å; I543-I552 HydrophobicContact CG2-CD1 4.02Å; I543-I552 HydrophobicContact CG2-CG1 4.08Å; I543-I552 VanDerWaalsContact O-CG1 3.3Å; I543-I552 WeakPolarHBondContact O-CG1 3.47Å; I543-I552 PolarHBondContact O-N 3.18Å; D545-I552 HydrophobicContact CB-CG2 4.26Å; D550-I552 PolarHBondContact O-N 3.31Å
553	H	96.5	Very high	95.7	Very high	76 Å²	76	42.8 Å²	42.8	35%	0.352	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	154.9	-176.2	-160	79	0	0	0	112.4	I543	I543-H553 HydrophobicContact CB-CB 4.2Å; I543-H553 HydrophobicContact CD1-CB 4.23Å; I543-H553 HydrophobicContact CG1-CB 4.36Å; I543-H553 PolarHBondContact N-O 3.34Å; I543-H553 PolarHBondContact O-N 3.29Å
554	V	97.5	Very high	95.7	Very high	53 Å²	53	42.8 Å²	42.8	32%	0.321	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	105.5	177.8	-170.6	0	0	0	0	110.2	T540 I541 K542	T540-V554 HydrophobicContact CG2-CG1 4.24Å; I541-V554 CarbonylContact O-C 3.58Å; I541-V554 WeakPolarHBondContact O-CA 3.47Å; K542-V554 HydrophobicContact CD-CG2 4.43Å; K542-V554 HydrophobicContact CG-CG1 4.15Å; K542-V554 HydrophobicContact CG-CG2 4.1Å
555	L	97.4	Very high	95.7	Very high	8 Å²	8	42.1 Å²	42.1	4%	0.042	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	137.3	170.7	-52.9	172.5	0	0	0	109.2	T540 I541 I543 I572 W584 K589	T540-L555 WeakPolarHBondContact CA-O 3.45Å; I541-L555 HydrophobicContact CB-CB 4.24Å; I541-L555 HydrophobicContact CB-CD1 4.39Å; I541-L555 HydrophobicContact CD1-CD1 4.39Å; I541-L555 PolarHBondContact N-O 3.15Å; I541-L555 PolarHBondContact O-N 3.36Å; I543-L555 HydrophobicContact CD1-CD1 4.39Å; I543-L555 HydrophobicContact CD1-CG 4.47Å; L555-I572 HydrophobicContact CD1-CD1 3.8Å; L555-I572 HydrophobicContact CD1-CG2 4.5Å; L555-W584 HydrophobicContact CD1-CB 4.38Å; L555-W584 HydrophobicContact CD1-CD2 4Å; L555-W584 HydrophobicContact CD1-CE3 4.35Å; L555-W584 HydrophobicContact CD1-CG 4Å; L555-W584 HydrophobicContact CD2-CG 4.48Å; L555-K589 HydrophobicContact CD2-CB 3.97Å; L555-K589 WeakPolarHBondContact CD2-O 3.4Å
556	Q	96.1	Very high	95.7	Very high	125 Å²	125	41.7 Å²	41.7	58%	0.584	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	144.6	168.6	-56.3	-54.7	-54.6	0	0	109.8	W584	Q556-W584 WeakPolarHBondContact O-CZ2 3.48Å
557	T	93.4	Very high	95.7	Very high	13 Å²	13	42.5 Å²	42.5	8%	0.08	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	154.7	178.3	90.5	0	0	0	0	109.6	Q539 I541 V562 W584	Q539-T557 WeakPolarHBondContact CA-O 3.33Å; Q539-T557 WeakPolarHBondContact CA-OG1 3.36Å; Q539-T557 VanDerWaalsContact CB-O 3.25Å; Q539-T557 WeakPolarHBondContact CB-O 3.28Å; Q539-T557 PolarHBondContact O-N 2.9Å; I541-T557 HydrophobicContact CD1-CG2 4.04Å; I541-T557 HydrophobicContact CG1-CG2 3.86Å; T557-V562 HydrophobicContact CG2-CG2 4.31Å; T557-W584 HydrophobicContact CG2-CH2 3.43Å; T557-W584 VanDerWaalsContact CG2-CH2 3.43Å; T557-W584 HydrophobicContact CG2-CZ2 3.68Å
558	S	92.6	Very high	95.7	Very high	59 Å²	59	34 Å²	34	41%	0.413	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-162.1	161.5	57.8	0	0	0	0	109.5	G560 H582	S558-G560 PolarHBondContact O-N 2.98Å; S558-H582 PolarHBondContact N-NE2 3.28Å; S558-H582 PolarHBondContact O-NE2 3.37Å; S558-H582 PolarHBondContact OG-CE1 2.86Å; S558-H582 PolarHBondContact OG-NE2 2.83Å
559	G	89.3	Confident	95.4	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	79.4	10.6	174.8	0	0	0	0	0	116.4	T576 Y577 E578	G559-T576 WeakPolarHBondContact O-CB 3.29Å; G559-Y577 WeakPolarHBondContact O-CB 3.47Å; G559-Y577 PolarHBondContact O-N 3.38Å; G559-E578 WeakPolarHBondContact CA-OE2 3.44Å; G559-E578 PolarHBondContact O-N 2.82Å
560	G	95.1	Very high	95.3	Very high	2 Å²	2	40.4 Å²	40.4	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	76.7	-128.5	178.9	0	0	0	0	0	113.7	Q539 S558 E578	Q539-G560 WeakPolarHBondContact CG-O 3.44Å; Q539-G560 PolarHBondContact N-O 2.84Å; S558-G560 PolarHBondContact O-N 2.98Å; G560-E578 PolarHBondContact N-OE2 2.74Å
561	S	96.3	Very high	95.2	Very high	7 Å²	7	38.2 Å²	38.2	5%	0.049	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	133.1	179	-161.8	0	0	0	0	111.3	H521 Y563 T576 Y577	H521-S561 PolarHBondContact ND1-OG 3.38Å; S561-Y563 WeakPolarHBondContact O-CD2 3.4Å; S561-Y563 PolarHBondContact O-N 3.35Å; S561-T576 CarbonylContact O-C 3.19Å; S561-T576 WeakPolarHBondContact O-CA 3.46Å; S561-Y577 PolarHBondContact O-N 3.19Å
562	V	97.9	Very high	95.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	125.7	166.7	-175.7	0	0	0	0	108.1	A525 S537 I541 T557 S564 I565 C574	A525-V562 HydrophobicContact CB-CG1 3.84Å; S537-V562 PolarHBondContact O-N 3.2Å; I541-V562 HydrophobicContact CG1-CG2 4.35Å; T557-V562 HydrophobicContact CG2-CG2 4.31Å; V562-S564 WeakPolarHBondContact CG1-O 3.4Å; V562-I565 HydrophobicContact CG1-CD1 4.3Å; V562-I565 HydrophobicContact CG1-CG1 3.93Å; V562-C574 HydrophobicContact CG1-CB 3.85Å
563	Y	97.5	Very high	95.3	Very high	34 Å²	34	31.7 Å²	31.7	13%	0.133	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-25	-179.9	-94.3	-91.6	0	0	0	112.9	P36 R524 S561 G575 Y577 T601 V602 Y603	P36-Y563 HydrophobicContact CB-CE1 4.31Å; P36-Y563 HydrophobicContact CG-CD1 4.38Å; P36-Y563 HydrophobicContact CG-CE1 4.06Å; R524-Y563 HydrophobicContact CB-CD1 4.48Å; S561-Y563 WeakPolarHBondContact O-CD2 3.4Å; S561-Y563 PolarHBondContact O-N 3.35Å; Y563-G575 PolarHBondContact N-O 3.48Å; Y563-Y577 AromaticContact CE2-CD2 3.74Å; Y563-Y577 HydrophobicContact CE2-CD2 3.74Å; Y563-Y577 HydrophobicContact CE2-CG 4.31Å; Y563-T601 HydrophobicContact CD1-CG2 4.05Å; Y563-T601 HydrophobicContact CD2-CG2 3.4Å; Y563-T601 HydrophobicContact CE1-CG2 4.39Å; Y563-T601 HydrophobicContact CE2-CG2 3.8Å; Y563-T601 HydrophobicContact CG-CG2 3.53Å; Y563-V602 WeakPolarHBondContact CB-O 3.4Å; Y563-Y603 AromaticContact CD1-CD1 3.78Å; Y563-Y603 HydrophobicContact CD1-CD1 3.78Å; Y563-Y603 HydrophobicContact CD1-CE1 4.19Å; Y563-Y603 HydrophobicContact CE1-CD1 4.15Å; Y563-Y603 HydrophobicContact CE1-CE1 4.11Å; Y563-Y603 HydrophobicContact CG-CD1 4.32Å
564	S	97.2	Very high	95.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	149.4	177.9	50.9	0	0	0	0	111.2	V562 C574 G575 V602 L605	V562-S564 WeakPolarHBondContact CG1-O 3.4Å; S564-C574 CarbonylContact O-C 3.49Å; S564-C574 VanDerWaalsContact O-CA 3.24Å; S564-C574 WeakPolarHBondContact O-CA 3.15Å; S564-C574 WeakPolarHBondContact O-CB 3.29Å; S564-G575 PolarHBondContact N-O 3.17Å; S564-G575 PolarHBondContact O-N 3.42Å; S564-G575 WeakPolarHBondContact OG-CA 3.33Å; S564-V602 PolarHBondContact OG-O 2.82Å; S564-L605 WeakPolarHBondContact OG-CG 3.49Å
565	I	97.9	Very high	95.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	145.7	169.8	-72.8	167	0	0	0	107.1	A525 V527 G536 I541 V562 V567 V573 C574	A525-I565 HydrophobicContact CB-CB 4.13Å; A525-I565 HydrophobicContact CB-CD1 3.8Å; A525-I565 HydrophobicContact CB-CG1 3.7Å; V527-I565 HydrophobicContact CB-CG2 4.18Å; V527-I565 HydrophobicContact CG2-CB 3.99Å; V527-I565 HydrophobicContact CG2-CG2 3.78Å; V527-I565 VanDerWaalsContact CG2-O 3.27Å; V527-I565 WeakPolarHBondContact CG2-O 3.47Å; G536-I565 VanDerWaalsContact N-CD1 3.32Å; I541-I565 HydrophobicContact CD1-CD1 4.42Å; I541-I565 HydrophobicContact CG1-CD1 4.15Å; I541-I565 HydrophobicContact CG2-CD1 3.75Å; V562-I565 HydrophobicContact CG1-CD1 4.3Å; V562-I565 HydrophobicContact CG1-CG1 3.93Å; I565-V567 HydrophobicContact CG2-CG2 4.25Å; I565-V573 CarbonylContact C-O 3.51Å; I565-V573 VanDerWaalsContact CA-O 3.31Å; I565-V573 WeakPolarHBondContact CA-O 3.33Å; I565-C574 HydrophobicContact CG1-CB 3.88Å
566	A	96.3	Very high	95.4	Very high	2 Å²	2	25.2 Å²	25.2	2%	0.017	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	148.6	164.9	0	0	0	0	0	109.2	V573 L605 V607	A566-V573 PolarHBondContact N-O 2.83Å; A566-V573 PolarHBondContact O-N 3.31Å; A566-V573 VanDerWaalsContact O-O 3.12Å; A566-L605 HydrophobicContact CB-CB 3.71Å; A566-L605 HydrophobicContact CB-CD1 4.45Å; A566-V607 HydrophobicContact CB-CG2 3.7Å
567	V	95.2	Very high	95.4	Very high	23 Å²	23	25.5 Å²	25.5	14%	0.139	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	130.2	179.5	-176.1	0	0	0	0	108.2	V527 A529 Y534 I565 I586	V527-V567 HydrophobicContact CB-CG2 4.4Å; V527-V567 HydrophobicContact CG1-CB 4.41Å; V527-V567 HydrophobicContact CG1-CG2 3.93Å; A529-V567 HydrophobicContact CB-CB 3.85Å; A529-V567 HydrophobicContact CB-CG1 3.8Å; A529-V567 HydrophobicContact CB-CG2 4.26Å; Y534-V567 HydrophobicContact CD1-CG2 4.3Å; Y534-V567 HydrophobicContact CD2-CG2 3.81Å; Y534-V567 HydrophobicContact CE1-CG2 4.41Å; Y534-V567 HydrophobicContact CE2-CG1 4.35Å; Y534-V567 HydrophobicContact CE2-CG2 3.94Å; Y534-V567 HydrophobicContact CG-CG2 4Å; I565-V567 HydrophobicContact CG2-CG2 4.25Å; V567-I586 HydrophobicContact CG1-CD1 3.82Å
568	T	93.7	Very high	95.5	Very high	8 Å²	8	30 Å²	30	5%	0.049	15%	0.148	C	C	.	.			trans	-106.5	-171.8	175.9	68.9	0	0	0	0	109.4	H570 H571 I586 V607 T614 V616	T568-H570 VanDerWaalsContact C-N 3.31Å; T568-H570 PolarHBondContact O-N 3.05Å; T568-H570 PolarHBondContact OG1-N 3.29Å; T568-H571 PolarHBondContact N-O 3.12Å; T568-H571 WeakPolarHBondContact OG1-CA 3.29Å; T568-H571 WeakPolarHBondContact OG1-CB 3.45Å; T568-H571 PolarHBondContact OG1-N 2.85Å; T568-H571 PolarHBondContact OG1-O 3.17Å; T568-I586 WeakPolarHBondContact O-CD1 3.48Å; T568-V607 HydrophobicContact CG2-CG1 3.88Å; T568-V607 HydrophobicContact CG2-CG2 4.17Å; T568-T614 HydrophobicContact CG2-CG2 3.9Å; T568-V616 HydrophobicContact CG2-CG2 4.06Å
569	N	89.8	Confident	95.5	Very high	109 Å²	109	29.8 Å²	29.8	58%	0.583	14%	0.142	S	C	*	.	S	Bend	trans	-66.9	-32.1	176.1	-67.5	-2.4	0	0	0	113.1
570	H	91.7	Very high	95.8	Very high	112 Å²	112	31.6 Å²	31.6	52%	0.519	15%	0.151	S	C	.	.	S	Bend	trans	-122.9	-18.2	-173	-55.3	-69.8	0	0	0	114.1	T568 I586	T568-H570 VanDerWaalsContact C-N 3.31Å; T568-H570 PolarHBondContact O-N 3.05Å; T568-H570 PolarHBondContact OG1-N 3.29Å; H570-I586 WeakPolarHBondContact O-CB 3.44Å; H570-I586 WeakPolarHBondContact O-CG1 3.4Å; H570-I586 PolarHBondContact O-N 3.21Å
571	H	95.2	Very high	95.9	Very high	34 Å²	34	31.5 Å²	31.5	16%	0.157	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	139.9	-173.2	-55.1	101.9	0	0	0	114	T568 V573 V583 W584 M630 M633	T568-H571 PolarHBondContact N-O 3.12Å; T568-H571 WeakPolarHBondContact OG1-CA 3.29Å; T568-H571 WeakPolarHBondContact OG1-CB 3.45Å; T568-H571 PolarHBondContact OG1-N 2.85Å; T568-H571 PolarHBondContact OG1-O 3.17Å; H571-V573 HydrophobicContact CB-CG2 4.44Å; H571-V583 HydrophobicContact CB-CG1 3.87Å; H571-W584 CarbonylContact C-O 3.58Å; H571-W584 WeakPolarHBondContact CA-O 3.48Å; H571-M630 HydrophobicContact CB-CE 3.95Å; H571-M633 WeakPolarHBondContact CE1-CE 3.14Å; H571-M633 WeakPolarHBondContact NE2-CE 3.4Å
572	I	96.9	Very high	96	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	128.2	163.8	-50.9	167.6	0	0	0	107	Y534 I543 L555 V583 W584 I586	Y534-I572 HydrophobicContact CD1-CD1 4.16Å; Y534-I572 HydrophobicContact CD1-CG1 4.38Å; Y534-I572 HydrophobicContact CD1-CG2 4.27Å; Y534-I572 HydrophobicContact CE1-CD1 3.65Å; Y534-I572 HydrophobicContact CE1-CG1 3.88Å; I543-I572 HydrophobicContact CD1-CD1 3.94Å; L555-I572 HydrophobicContact CD1-CD1 3.8Å; L555-I572 HydrophobicContact CD1-CG2 4.5Å; I572-V583 WeakPolarHBondContact O-CA 3.23Å; I572-W584 HydrophobicContact CB-CB 4.43Å; I572-W584 PolarHBondContact N-O 3.03Å; I572-W584 PolarHBondContact O-N 3.28Å; I572-I586 HydrophobicContact CD1-CG1 4.45Å; I572-I586 HydrophobicContact CG1-CG1 3.7Å
573	V	98	Very high	96	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135.5	179.9	-172.1	0	0	0	0	109.2	I565 A566 H571 I581 H582 V583 L605 V616 M630	I565-V573 CarbonylContact C-O 3.51Å; I565-V573 VanDerWaalsContact CA-O 3.31Å; I565-V573 WeakPolarHBondContact CA-O 3.33Å; A566-V573 PolarHBondContact N-O 2.83Å; A566-V573 PolarHBondContact O-N 3.31Å; A566-V573 VanDerWaalsContact O-O 3.12Å; H571-V573 HydrophobicContact CB-CG2 4.44Å; V573-I581 HydrophobicContact CG1-CG2 3.43Å; V573-I581 VanDerWaalsContact CG1-CG2 3.43Å; V573-H582 CarbonylContact C-O 3.58Å; V573-H582 WeakPolarHBondContact CA-O 3.39Å; V573-V583 HydrophobicContact CG1-CG2 4.3Å; V573-V583 HydrophobicContact CG2-CG1 4.41Å; V573-V583 HydrophobicContact CG2-CG2 4.33Å; V573-L605 HydrophobicContact CB-CD1 4.44Å; V573-L605 HydrophobicContact CG1-CD1 3.93Å; V573-L605 HydrophobicContact CG1-CD2 4.37Å; V573-V616 HydrophobicContact CG1-CG1 4.45Å; V573-V616 HydrophobicContact CG2-CG2 4.46Å; V573-M630 HydrophobicContact CG2-CE 3.64Å
574	C	97.5	Very high	96	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	145.1	172.9	90.5	0	0	0	0	113	I541 V562 S564 I565 I581 H582 W584	I541-C574 HydrophobicContact CD1-CB 3.64Å; V562-C574 HydrophobicContact CG1-CB 3.85Å; S564-C574 CarbonylContact O-C 3.49Å; S564-C574 VanDerWaalsContact O-CA 3.24Å; S564-C574 WeakPolarHBondContact O-CA 3.15Å; S564-C574 WeakPolarHBondContact O-CB 3.29Å; I565-C574 HydrophobicContact CG1-CB 3.88Å; C574-I581 CarbonylContact O-C 3.58Å; C574-I581 WeakPolarHBondContact O-CA 3.45Å; C574-H582 PolarHBondContact N-O 2.74Å; C574-H582 PolarHBondContact O-N 2.72Å; C574-W584 HydrophobicContact CB-CZ3 4.14Å
575	G	97.8	Very high	95.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	134.9	175.1	0	0	0	0	0	110.4	Y563 S564 L605	Y563-G575 PolarHBondContact N-O 3.48Å; S564-G575 PolarHBondContact N-O 3.17Å; S564-G575 PolarHBondContact O-N 3.42Å; S564-G575 WeakPolarHBondContact OG-CA 3.33Å; G575-L605 VanDerWaalsContact N-CD1 3.33Å
576	T	97.8	Very high	95.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	170.9	-167.8	68.8	0	0	0	0	113.2	G559 S561 L580 T601 V602	G559-T576 WeakPolarHBondContact O-CB 3.29Å; S561-T576 CarbonylContact O-C 3.19Å; S561-T576 WeakPolarHBondContact O-CA 3.46Å; T576-L580 PolarHBondContact N-O 3.31Å; T576-L580 WeakPolarHBondContact OG1-CB 3.42Å; T576-L580 PolarHBondContact OG1-N 3.49Å; T576-L580 PolarHBondContact OG1-O 3.17Å; T576-T601 WeakPolarHBondContact O-CA 3.29Å; T576-V602 PolarHBondContact O-N 2.91Å
577	Y	96.7	Very high	95.6	Very high	131 Å²	131	40.5 Å²	40.5	51%	0.514	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-46.6	177.1	-179.8	-110.6	0	0	0	112.1	G559 S561 Y563 N579 T601	G559-Y577 WeakPolarHBondContact O-CB 3.47Å; G559-Y577 PolarHBondContact O-N 3.38Å; S561-Y577 PolarHBondContact O-N 3.19Å; Y563-Y577 AromaticContact CE2-CD2 3.74Å; Y563-Y577 HydrophobicContact CE2-CD2 3.74Å; Y563-Y577 HydrophobicContact CE2-CG 4.31Å; Y577-N579 PolarHBondContact O-N 3.31Å; Y577-N579 VanDerWaalsContact O-N 3.1Å; Y577-T601 HydrophobicContact CD2-CG2 4.32Å; Y577-T601 WeakPolarHBondContact CD2-OG1 3.46Å; Y577-T601 WeakPolarHBondContact O-CA 3.32Å; Y577-T601 WeakPolarHBondContact O-CB 3.34Å; Y577-T601 PolarHBondContact O-N 3.26Å; Y577-T601 PolarHBondContact O-OG1 2.86Å
578	E	94.3	Very high	95.6	Very high	108 Å²	108	42.4 Å²	42.4	51%	0.505	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	45.4	-176.9	-50.7	174	128.3	0	0	111.9	G559 G560 L580	G559-E578 WeakPolarHBondContact CA-OE2 3.44Å; G559-E578 PolarHBondContact O-N 2.82Å; G560-E578 PolarHBondContact N-OE2 2.74Å; E578-L580 PolarHBondContact O-N 3.42Å
579	N	92.6	Very high	95.6	Very high	55 Å²	55	44.3 Å²	44.3	29%	0.294	22%	0.216	S	C	.	.	S	Bend	trans	61.6	-10.7	174.3	81.2	59.9	0	0	0	119.2	Y577 H598 G600	Y577-N579 PolarHBondContact O-N 3.31Å; Y577-N579 VanDerWaalsContact O-N 3.1Å; N579-H598 HydrophobicContact CB-CB 4.24Å; N579-H598 VanDerWaalsContact CB-O 3.3Å; N579-H598 WeakPolarHBondContact CB-O 3.25Å; N579-H598 VanDerWaalsContact CG-O 3.24Å; N579-H598 PolarHBondContact OD1-O 3.05Å; N579-G600 WeakPolarHBondContact CA-O 3.42Å; N579-G600 VanDerWaalsContact CB-O 3.31Å; N579-G600 WeakPolarHBondContact CB-O 3.38Å
580	L	95.4	Very high	95.9	Very high	38 Å²	38	45.8 Å²	45.8	20%	0.199	22%	0.219	C	C	.	.			trans	-70	142.8	-179.3	-52.7	-177.5	0	0	0	112.1	T576 E578 T594 T596	T576-L580 PolarHBondContact N-O 3.31Å; T576-L580 WeakPolarHBondContact OG1-CB 3.42Å; T576-L580 PolarHBondContact OG1-N 3.49Å; T576-L580 PolarHBondContact OG1-O 3.17Å; E578-L580 PolarHBondContact O-N 3.42Å; L580-T594 HydrophobicContact CB-CG2 3.96Å; L580-T594 HydrophobicContact CD1-CG2 4.41Å; L580-T594 HydrophobicContact CD2-CG2 4.14Å; L580-T594 HydrophobicContact CG-CG2 4.39Å; L580-T596 HydrophobicContact CD2-CG2 3.98Å
581	I	97.8	Very high	96.1	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	115	164	-59.6	173.9	0	0	0	108.4	V573 C574 T594 L595 V602 L605 S618 W628	V573-I581 HydrophobicContact CG1-CG2 3.43Å; V573-I581 VanDerWaalsContact CG1-CG2 3.43Å; C574-I581 CarbonylContact O-C 3.58Å; C574-I581 WeakPolarHBondContact O-CA 3.45Å; I581-T594 CarbonylContact O-C 3.6Å; I581-T594 WeakPolarHBondContact O-CA 3.44Å; I581-L595 HydrophobicContact CB-CB 4.16Å; I581-L595 HydrophobicContact CG2-CD1 4.12Å; I581-L595 HydrophobicContact CG2-CG 4.41Å; I581-L595 PolarHBondContact N-O 3.19Å; I581-L595 VanDerWaalsContact N-O 3.1Å; I581-L595 PolarHBondContact O-N 2.86Å; I581-V602 HydrophobicContact CD1-CG1 4.18Å; I581-V602 HydrophobicContact CD1-CG2 4.31Å; I581-V602 HydrophobicContact CG1-CB 4.43Å; I581-V602 HydrophobicContact CG1-CG1 4.13Å; I581-V602 HydrophobicContact CG1-CG2 3.9Å; I581-L605 HydrophobicContact CD1-CD2 4.39Å; I581-S618 VanDerWaalsContact CD1-CB 3.47Å; I581-S618 WeakPolarHBondContact CD1-OG 3.44Å; I581-W628 HydrophobicContact CD1-CZ2 3.89Å
582	H	97.9	Very high	96.1	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.009	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	146.7	179	-60.4	-60.6	0	0	0	111.4	S558 V573 C574 W584 Q591 T594	S558-H582 PolarHBondContact N-NE2 3.28Å; S558-H582 PolarHBondContact O-NE2 3.37Å; S558-H582 PolarHBondContact OG-CE1 2.86Å; S558-H582 PolarHBondContact OG-NE2 2.83Å; V573-H582 CarbonylContact C-O 3.58Å; V573-H582 WeakPolarHBondContact CA-O 3.39Å; C574-H582 PolarHBondContact N-O 2.74Å; C574-H582 PolarHBondContact O-N 2.72Å; H582-W584 HydrophobicContact CB-CE3 4.25Å; H582-W584 HydrophobicContact CB-CH2 3.17Å; H582-W584 HydrophobicContact CB-CZ2 3.84Å; H582-W584 HydrophobicContact CB-CZ3 3.41Å; H582-W584 VanDerWaalsContact CB-CZ3 3.41Å; H582-W584 AromaticContact CG-CH2 3.93Å; H582-Q591 PolarHBondContact ND1-NE2 2.73Å; H582-Q591 VanDerWaalsContact ND1-NE2 3.15Å; H582-T594 WeakPolarHBondContact ND1-CG2 3.32Å; H582-T594 PolarHBondContact ND1-OG1 3.04Å
583	V	97.9	Very high	96	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	123.8	-178.8	-174.8	0	0	0	0	109.6	H571 I572 V573 Q591 V592 R593 L595 M630 M633	H571-V583 HydrophobicContact CB-CG1 3.87Å; I572-V583 WeakPolarHBondContact O-CA 3.23Å; V573-V583 HydrophobicContact CG1-CG2 4.3Å; V573-V583 HydrophobicContact CG2-CG1 4.41Å; V573-V583 HydrophobicContact CG2-CG2 4.33Å; V583-Q591 CarbonylContact O-C 3.52Å; V583-Q591 WeakPolarHBondContact O-CG 3.46Å; V583-V592 PolarHBondContact O-N 3.32Å; V583-R593 PolarHBondContact N-O 2.86Å; V583-R593 PolarHBondContact O-N 2.8Å; V583-L595 HydrophobicContact CG2-CD1 3.96Å; V583-L595 HydrophobicContact CG2-CD2 4.2Å; V583-L595 HydrophobicContact CG2-CG 3.88Å; V583-M630 HydrophobicContact CG1-CE 4Å; V583-M630 HydrophobicContact CG2-CE 4.46Å; V583-M633 HydrophobicContact CG1-CE 3.82Å; V583-M633 HydrophobicContact CG1-SD 4.14Å; V583-M633 HydrophobicContact CG2-SD 4.43Å
584	W	97.6	Very high	95.9	Very high	7 Å²	7	54.8 Å²	54.8	3%	0.027	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	152.9	171.5	-60.9	-101.7	0	0	0	110.7	I541 L555 Q556 T557 H571 I572 C574 H582 E590 Q591	I541-W584 HydrophobicContact CD1-CE3 4.2Å; I541-W584 HydrophobicContact CD1-CH2 3.82Å; I541-W584 HydrophobicContact CD1-CZ3 3.55Å; L555-W584 HydrophobicContact CD1-CB 4.38Å; L555-W584 HydrophobicContact CD1-CD2 4Å; L555-W584 HydrophobicContact CD1-CE3 4.35Å; L555-W584 HydrophobicContact CD1-CG 4Å; L555-W584 HydrophobicContact CD2-CG 4.48Å; Q556-W584 WeakPolarHBondContact O-CZ2 3.48Å; T557-W584 HydrophobicContact CG2-CH2 3.43Å; T557-W584 VanDerWaalsContact CG2-CH2 3.43Å; T557-W584 HydrophobicContact CG2-CZ2 3.68Å; H571-W584 CarbonylContact C-O 3.58Å; H571-W584 WeakPolarHBondContact CA-O 3.48Å; I572-W584 HydrophobicContact CB-CB 4.43Å; I572-W584 PolarHBondContact N-O 3.03Å; I572-W584 PolarHBondContact O-N 3.28Å; C574-W584 HydrophobicContact CB-CZ3 4.14Å; H582-W584 HydrophobicContact CB-CE3 4.25Å; H582-W584 HydrophobicContact CB-CH2 3.17Å; H582-W584 HydrophobicContact CB-CZ2 3.84Å; H582-W584 HydrophobicContact CB-CZ3 3.41Å; H582-W584 VanDerWaalsContact CB-CZ3 3.41Å; H582-W584 AromaticContact CG-CH2 3.93Å; W584-E590 CarbonylContact C-O 3.51Å; W584-E590 WeakPolarHBondContact CA-O 3.31Å; W584-E590 WeakPolarHBondContact CB-O 3.45Å; W584-Q591 HydrophobicContact CD2-CG 4.5Å; W584-Q591 HydrophobicContact CG-CB 4.39Å; W584-Q591 HydrophobicContact CG-CG 4.49Å
585	D	95.9	Very high	95.8	Very high	38 Å²	38	55 Å²	55	20%	0.203	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	147.6	167.6	-177.9	-99.7	0	0	0	111.3	E587 S588 K589 E590 V592	D585-E587 WeakPolarHBondContact OD1-CA 3.34Å; D585-E587 WeakPolarHBondContact OD1-CB 3.32Å; D585-E587 PolarHBondContact OD1-N 3.25Å; D585-S588 PolarHBondContact OD1-N 3.47Å; D585-K589 WeakPolarHBondContact O-CA 3.31Å; D585-K589 PolarHBondContact O-N 3.3Å; D585-E590 PolarHBondContact N-O 3.3Å; D585-V592 HydrophobicContact CB-CG2 3.83Å
586	I	93.9	Very high	95.6	Very high	16 Å²	16	59.2 Å²	59.2	8%	0.082	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-26.4	-178.8	-78.2	175.3	0	0	0	112.4	V567 T568 H570 I572 K589	V567-I586 HydrophobicContact CG1-CD1 3.82Å; T568-I586 WeakPolarHBondContact O-CD1 3.48Å; H570-I586 WeakPolarHBondContact O-CB 3.44Å; H570-I586 WeakPolarHBondContact O-CG1 3.4Å; H570-I586 PolarHBondContact O-N 3.21Å; I572-I586 HydrophobicContact CD1-CG1 4.45Å; I572-I586 HydrophobicContact CG1-CG1 3.7Å; I586-K589 VanDerWaalsContact O-CE 3.31Å; I586-K589 WeakPolarHBondContact O-CE 3.24Å; I586-K589 PolarHBondContact O-NZ 2.99Å
587	E	93.6	Very high	95.1	Very high	168 Å²	168	60.6 Å²	60.6	79%	0.785	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-55.4	-177.1	-61.9	-173.1	-170.8	0	0	111.2	D585 K589	D585-E587 WeakPolarHBondContact OD1-CA 3.34Å; D585-E587 WeakPolarHBondContact OD1-CB 3.32Å; D585-E587 PolarHBondContact OD1-N 3.25Å; E587-K589 PolarHBondContact O-N 3.37Å
588	S	94.9	Very high	94.9	Very high	63 Å²	63	54.7 Å²	54.7	44%	0.441	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-23.3	-179	78.7	0	0	0	0	113.9	D585 E590	D585-S588 PolarHBondContact OD1-N 3.47Å; S588-E590 PolarHBondContact O-N 3.07Å; S588-E590 WeakPolarHBondContact OG-CB 3.09Å; S588-E590 PolarHBondContact OG-N 2.84Å; S588-E590 VanDerWaalsContact OG-N 3.1Å
589	K	94.8	Very high	94.9	Very high	48 Å²	48	55.1 Å²	55.1	21%	0.209	29%	0.293	C	S	.	.			trans	64.4	6.7	-169.6	-48.3	-54.1	-176.6	-172.4	0	114.8	I543 L555 D585 I586 E587	I543-K589 HydrophobicContact CD1-CD 4.37Å; L555-K589 HydrophobicContact CD2-CB 3.97Å; L555-K589 WeakPolarHBondContact CD2-O 3.4Å; D585-K589 WeakPolarHBondContact O-CA 3.31Å; D585-K589 PolarHBondContact O-N 3.3Å; I586-K589 VanDerWaalsContact O-CE 3.31Å; I586-K589 WeakPolarHBondContact O-CE 3.24Å; I586-K589 PolarHBondContact O-NZ 2.99Å; E587-K589 PolarHBondContact O-N 3.37Å
590	E	95.1	Very high	94.9	Very high	140 Å²	140	53.2 Å²	53.2	65%	0.654	29%	0.286	S	S	*	.			trans	-78.3	154.2	178.3	-61	-175	140.6	0	0	111.8	W584 D585 S588 V592	W584-E590 CarbonylContact C-O 3.51Å; W584-E590 WeakPolarHBondContact CA-O 3.31Å; W584-E590 WeakPolarHBondContact CB-O 3.45Å; D585-E590 PolarHBondContact N-O 3.3Å; S588-E590 PolarHBondContact O-N 3.07Å; S588-E590 WeakPolarHBondContact OG-CB 3.09Å; S588-E590 PolarHBondContact OG-N 2.84Å; S588-E590 VanDerWaalsContact OG-N 3.1Å; E590-V592 PolarHBondContact O-N 3.33Å
591	Q	96.1	Very high	95	Very high	91 Å²	91	51.8 Å²	51.8	43%	0.425	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	109.2	-179.5	-167.3	178.1	-10	0	0	110.7	H582 V583 W584 R593 T594	H582-Q591 PolarHBondContact ND1-NE2 2.73Å; H582-Q591 VanDerWaalsContact ND1-NE2 3.15Å; V583-Q591 CarbonylContact O-C 3.52Å; V583-Q591 WeakPolarHBondContact O-CG 3.46Å; W584-Q591 HydrophobicContact CD2-CG 4.5Å; W584-Q591 HydrophobicContact CG-CB 4.39Å; W584-Q591 HydrophobicContact CG-CG 4.49Å; Q591-R593 PolarHBondContact NE2-O 3.02Å; Q591-T594 PolarHBondContact NE2-OG1 3Å
592	V	95.3	Very high	95	Very high	74 Å²	74	51.7 Å²	51.7	45%	0.448	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	-40.5	-177.4	179.1	0	0	0	0	111.8	V583 D585 E590	V583-V592 PolarHBondContact O-N 3.32Å; D585-V592 HydrophobicContact CB-CG2 3.83Å; E590-V592 PolarHBondContact O-N 3.33Å
593	R	95.5	Very high	95	Very high	120 Å²	120	53 Å²	53	45%	0.453	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	164.9	-179.7	-160.2	163.8	-75.5	-170.3	-3	113.1	V583 Q591 L595 N632 M633	V583-R593 PolarHBondContact N-O 2.86Å; V583-R593 PolarHBondContact O-N 2.8Å; Q591-R593 PolarHBondContact NE2-O 3.02Å; R593-L595 HydrophobicContact CB-CD2 4.29Å; R593-L595 HydrophobicContact CG-CD2 4.02Å; R593-N632 PolarHBondContact NH1-O 2.82Å; R593-M633 PolarHBondContact NH1-O 3.22Å
594	T	95.9	Very high	95	Very high	50 Å²	50	53 Å²	53	31%	0.307	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.2	154.9	-58.8	0	0	0	0	108.4	L580 I581 H582 Q591 T596	L580-T594 HydrophobicContact CB-CG2 3.96Å; L580-T594 HydrophobicContact CD1-CG2 4.41Å; L580-T594 HydrophobicContact CD2-CG2 4.14Å; L580-T594 HydrophobicContact CG-CG2 4.39Å; I581-T594 CarbonylContact O-C 3.6Å; I581-T594 WeakPolarHBondContact O-CA 3.44Å; H582-T594 WeakPolarHBondContact ND1-CG2 3.32Å; H582-T594 PolarHBondContact ND1-OG1 3.04Å; Q591-T594 PolarHBondContact NE2-OG1 3Å; T594-T596 HydrophobicContact CG2-CG2 4.1Å
595	L	94.8	Very high	95	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.026	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	133.2	173.7	-35.9	176.7	0	0	0	108.2	I581 V583 R593 W628 M633	I581-L595 HydrophobicContact CB-CB 4.16Å; I581-L595 HydrophobicContact CG2-CD1 4.12Å; I581-L595 HydrophobicContact CG2-CG 4.41Å; I581-L595 PolarHBondContact N-O 3.19Å; I581-L595 VanDerWaalsContact N-O 3.1Å; I581-L595 PolarHBondContact O-N 2.86Å; V583-L595 HydrophobicContact CG2-CD1 3.96Å; V583-L595 HydrophobicContact CG2-CD2 4.2Å; V583-L595 HydrophobicContact CG2-CG 3.88Å; R593-L595 HydrophobicContact CB-CD2 4.29Å; R593-L595 HydrophobicContact CG-CD2 4.02Å; L595-W628 HydrophobicContact CB-CD2 4.38Å; L595-W628 HydrophobicContact CB-CE3 3.86Å; L595-W628 HydrophobicContact CB-CH2 3.89Å; L595-W628 HydrophobicContact CB-CZ2 4.38Å; L595-W628 HydrophobicContact CB-CZ3 3.6Å; L595-W628 HydrophobicContact CD1-CB 4.32Å; L595-W628 HydrophobicContact CD1-CD2 3.82Å; L595-W628 HydrophobicContact CD1-CE3 3.78Å; L595-W628 HydrophobicContact CD1-CG 4.06Å; L595-W628 HydrophobicContact CD1-CZ3 4.4Å; L595-W628 HydrophobicContact CG-CE3 4.31Å; L595-W628 HydrophobicContact CG-CZ3 4.49Å; L595-M633 HydrophobicContact CD2-CB 3.96Å
596	T	93.4	Very high	95	Very high	89 Å²	89	51 Å²	51	55%	0.546	27%	0.273	S	S	.	.			trans	-130.3	155.7	-173.3	56.1	0	0	0	0	111.3	L580 T594 W628	L580-T596 HydrophobicContact CD2-CG2 3.98Å; T594-T596 HydrophobicContact CG2-CG2 4.1Å; T596-W628 WeakPolarHBondContact O-CH2 3.18Å
597	G	87.6	Confident	94.9	Very high	29 Å²	29	51 Å²	51	30%	0.299	27%	0.274	S	S	.	.			trans	133.8	-8.1	176.1	0	0	0	0	0	115.3	R626	G597-R626 VanDerWaalsContact O-CZ 3.24Å; G597-R626 PolarHBondContact O-NE 2.87Å; G597-R626 VanDerWaalsContact O-NE 3.14Å; G597-R626 PolarHBondContact O-NH2 3.31Å
598	H	93.6	Very high	94.7	Very high	6 Å²	6	44 Å²	44	3%	0.028	24%	0.242	C	C	.	.			trans	-72.3	151.2	162.7	-85.1	-57.2	0	0	0	110.5	N579 V602 S618 S620 D622 S624	N579-H598 HydrophobicContact CB-CB 4.24Å; N579-H598 VanDerWaalsContact CB-O 3.3Å; N579-H598 WeakPolarHBondContact CB-O 3.25Å; N579-H598 VanDerWaalsContact CG-O 3.24Å; N579-H598 PolarHBondContact OD1-O 3.05Å; H598-V602 HydrophobicContact CB-CG2 4.22Å; H598-S618 PolarHBondContact CD2-OG 3.06Å; H598-S618 PolarHBondContact NE2-OG 3.36Å; H598-S620 VanDerWaalsContact CE1-CB 3.45Å; H598-S620 WeakPolarHBondContact CE1-CB 3.43Å; H598-S620 WeakPolarHBondContact ND1-CB 3.25Å; H598-D622 VanDerWaalsContact CA-OD2 3.24Å; H598-D622 WeakPolarHBondContact CA-OD2 3.35Å; H598-D622 IonicContact CE1-OD1 3.69Å; H598-D622 IonicContact CE1-OD2 2.87Å; H598-D622 IonicContact CG-OD2 3.03Å; H598-D622 IonicContact ND1-OD1 2.73Å; H598-D622 PolarHBondContact ND1-OD1 3.12Å; H598-D622 IonicContact ND1-OD2 3.28Å; H598-D622 PolarHBondContact ND1-OD2 3.42Å; H598-S624 PolarHBondContact CE1-OG 2.7Å; H598-S624 PolarHBondContact ND1-OG 2.63Å
599	V	93	Very high	94.1	Very high	118 Å²	118	42.4 Å²	42.4	72%	0.715	23%	0.231	S	C	*	.	S	Bend	trans	-115.2	47.1	180	-164	0	0	0	0	109.9	D622	V599-D622 HydrophobicContact CB-CB 4.13Å; V599-D622 PolarHBondContact N-OD2 3.1Å
600	G	93.8	Very high	93.1	Very high	14 Å²	14	43.2 Å²	43.2	14%	0.144	24%	0.24	C	C	.	.	S	Bend	trans	157.7	173.6	179.2	0	0	0	0	0	112.5	N579 S620	N579-G600 WeakPolarHBondContact CA-O 3.42Å; N579-G600 VanDerWaalsContact CB-O 3.31Å; N579-G600 WeakPolarHBondContact CB-O 3.38Å; G600-S620 PolarHBondContact O-OG 3.23Å
601	T	97.4	Very high	91.9	Very high	8 Å²	8	43 Å²	43	5%	0.049	25%	0.25	C	S	.	.			trans	-49.3	136.1	-175.6	-55.8	0	0	0	0	113.6	Y563 T576 Y577 Y603 S620 Y621	Y563-T601 HydrophobicContact CD1-CG2 4.05Å; Y563-T601 HydrophobicContact CD2-CG2 3.4Å; Y563-T601 HydrophobicContact CE1-CG2 4.39Å; Y563-T601 HydrophobicContact CE2-CG2 3.8Å; Y563-T601 HydrophobicContact CG-CG2 3.53Å; T576-T601 WeakPolarHBondContact O-CA 3.29Å; Y577-T601 HydrophobicContact CD2-CG2 4.32Å; Y577-T601 WeakPolarHBondContact CD2-OG1 3.46Å; Y577-T601 WeakPolarHBondContact O-CA 3.32Å; Y577-T601 WeakPolarHBondContact O-CB 3.34Å; Y577-T601 PolarHBondContact O-N 3.26Å; Y577-T601 PolarHBondContact O-OG1 2.86Å; T601-Y603 HydrophobicContact CG2-CD1 3.4Å; T601-Y603 HydrophobicContact CG2-CE1 3.3Å; T601-Y603 HydrophobicContact CG2-CG 4.41Å; T601-Y603 PolarHBondContact O-N 3.1Å; T601-S620 CarbonylContact O-C 3.29Å; T601-S620 WeakPolarHBondContact O-CA 3.06Å; T601-S620 PolarHBondContact O-OG 3.39Å; T601-S620 VanDerWaalsContact O-OG 3.12Å; T601-Y621 PolarHBondContact O-N 3.01Å
602	V	98.1	Very high	90.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	92.1	178	-176.8	0	0	0	0	109.8	Y563 S564 T576 I581 H598 L605 A619	Y563-V602 WeakPolarHBondContact CB-O 3.4Å; S564-V602 PolarHBondContact OG-O 2.82Å; T576-V602 PolarHBondContact O-N 2.91Å; I581-V602 HydrophobicContact CD1-CG1 4.18Å; I581-V602 HydrophobicContact CD1-CG2 4.31Å; I581-V602 HydrophobicContact CG1-CB 4.43Å; I581-V602 HydrophobicContact CG1-CG1 4.13Å; I581-V602 HydrophobicContact CG1-CG2 3.9Å; H598-V602 HydrophobicContact CB-CG2 4.22Å; V602-L605 HydrophobicContact CG1-CD2 4.42Å; V602-L605 HydrophobicContact CG1-CG 4.43Å; V602-A619 CarbonylContact C-O 3.49Å; V602-A619 WeakPolarHBondContact CA-O 3.5Å
603	Y	97.8	Very high	90.1	Very high	29 Å²	29	45.9 Å²	45.9	11%	0.114	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	-34	-170.1	-66.7	-41.2	0	0	0	114.6	P36 Y563 T601 A619 Y621 V646 T647	P36-Y603 HydrophobicContact CB-CE1 4.33Å; P36-Y603 HydrophobicContact CG-CD1 3.24Å; P36-Y603 HydrophobicContact CG-CD2 4.19Å; P36-Y603 HydrophobicContact CG-CE1 3.22Å; P36-Y603 HydrophobicContact CG-CE2 4.14Å; P36-Y603 HydrophobicContact CG-CG 3.77Å; Y563-Y603 AromaticContact CD1-CD1 3.78Å; Y563-Y603 HydrophobicContact CD1-CD1 3.78Å; Y563-Y603 HydrophobicContact CD1-CE1 4.19Å; Y563-Y603 HydrophobicContact CE1-CD1 4.15Å; Y563-Y603 HydrophobicContact CE1-CE1 4.11Å; Y563-Y603 HydrophobicContact CG-CD1 4.32Å; T601-Y603 HydrophobicContact CG2-CD1 3.4Å; T601-Y603 HydrophobicContact CG2-CE1 3.3Å; T601-Y603 HydrophobicContact CG2-CG 4.41Å; T601-Y603 PolarHBondContact O-N 3.1Å; Y603-A619 PolarHBondContact N-O 2.87Å; Y603-Y621 HydrophobicContact CE2-CD2 4.06Å; Y603-Y621 HydrophobicContact CE2-CG 4.45Å; Y603-Y621 VanDerWaalsContact OH-CD2 3.29Å; Y603-Y621 WeakPolarHBondContact OH-CD2 3.47Å; Y603-V646 WeakPolarHBondContact CD2-O 3.33Å; Y603-T647 CarbonylContact C-O 3.51Å; Y603-T647 WeakPolarHBondContact CB-O 3.47Å; Y603-T647 HydrophobicContact CD2-CG2 4Å; Y603-T647 HydrophobicContact CE2-CG2 4.42Å
604	A	97.4	Very high	89.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	149.5	176.4	0	0	0	0	0	112.2	S618 A619 T647 L649	A604-S618 WeakPolarHBondContact O-CA 3.49Å; A604-A619 HydrophobicContact CB-CB 4.26Å; A604-A619 PolarHBondContact N-O 2.9Å; A604-A619 PolarHBondContact O-N 2.75Å; A604-T647 VanDerWaalsContact CB-O 3.24Å; A604-T647 WeakPolarHBondContact CB-O 3.13Å; A604-L649 HydrophobicContact CB-CB 4.18Å; A604-L649 HydrophobicContact CB-CD1 4.41Å; A604-L649 HydrophobicContact CB-CG 4Å
605	L	97.8	Very high	89.6	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	141.5	170.4	-76	167.2	0	0	0	108.7	T32 S564 A566 V573 G575 I581 V602 V616 F617	T32-L605 VanDerWaalsContact CB-O 3.31Å; T32-L605 WeakPolarHBondContact CB-O 2.84Å; T32-L605 PolarHBondContact OG1-O 3.11Å; S564-L605 WeakPolarHBondContact OG-CG 3.49Å; A566-L605 HydrophobicContact CB-CB 3.71Å; A566-L605 HydrophobicContact CB-CD1 4.45Å; V573-L605 HydrophobicContact CB-CD1 4.44Å; V573-L605 HydrophobicContact CG1-CD1 3.93Å; V573-L605 HydrophobicContact CG1-CD2 4.37Å; G575-L605 VanDerWaalsContact N-CD1 3.33Å; I581-L605 HydrophobicContact CD1-CD2 4.39Å; V602-L605 HydrophobicContact CG1-CD2 4.42Å; V602-L605 HydrophobicContact CG1-CG 4.43Å; L605-V616 HydrophobicContact CD2-CG1 3.78Å; L605-F617 CarbonylContact C-O 3.59Å; L605-F617 VanDerWaalsContact CA-O 3.26Å; L605-F617 WeakPolarHBondContact CA-O 3.18Å
606	A	95.1	Very high	89.6	Confident	2 Å²	2	39.6 Å²	39.6	2%	0.017	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	159.1	172.2	0	0	0	0	0	110.9	V616 F617 L649 V651	A606-V616 CarbonylContact O-C 3.01Å; A606-V616 WeakPolarHBondContact O-CA 3.31Å; A606-F617 PolarHBondContact N-O 2.98Å; A606-F617 PolarHBondContact O-N 2.87Å; A606-L649 HydrophobicContact CB-CB 3.85Å; A606-L649 HydrophobicContact CB-CD1 4.19Å; A606-V651 HydrophobicContact CB-CG2 3.67Å
607	V	92.8	Very high	89.8	Confident	17 Å²	17	35.4 Å²	35.4	10%	0.103	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	129.8	-175.9	-166.9	0	0	0	0	110.7	R29 A566 T568 S609 T614 V616	R29-V607 VanDerWaalsContact CZ-O 3.25Å; R29-V607 PolarHBondContact NE-O 2.79Å; R29-V607 PolarHBondContact NH2-O 3.39Å; A566-V607 HydrophobicContact CB-CG2 3.7Å; T568-V607 HydrophobicContact CG2-CG1 3.88Å; T568-V607 HydrophobicContact CG2-CG2 4.17Å; V607-S609 WeakPolarHBondContact CG1-OG 3.22Å; V607-T614 HydrophobicContact CG1-CG2 3.82Å; V607-V616 HydrophobicContact CG1-CG2 4.43Å; V607-V616 HydrophobicContact CG2-CG2 4.34Å
608	I	89	Confident	90.3	Very high	22 Å²	22	34 Å²	34	11%	0.113	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.8	155.8	-65	175	0	0	0	107.8	F386 K615 F617 V651	F386-I608 HydrophobicContact CE1-CD1 4.16Å; F386-I608 HydrophobicContact CZ-CD1 3.77Å; I608-K615 PolarHBondContact N-O 2.89Å; I608-K615 PolarHBondContact O-N 3.07Å; I608-F617 HydrophobicContact CB-CE2 3.89Å; I608-F617 HydrophobicContact CD1-CE2 3.6Å; I608-F617 HydrophobicContact CD1-CZ 3.78Å; I608-F617 HydrophobicContact CG1-CD2 4.41Å; I608-F617 HydrophobicContact CG1-CE2 3.66Å; I608-F617 HydrophobicContact CG1-CZ 4.35Å; I608-V651 HydrophobicContact CD1-CG1 4.11Å; I608-V651 HydrophobicContact CG1-CG1 3.4Å; I608-V651 HydrophobicContact CG1-CG2 4.3Å
609	S	82	Confident	90.5	Very high	28 Å²	28	33.7 Å²	33.7	20%	0.196	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	118.8	172.9	-50.8	0	0	0	0	106.8	R29 V607 T614	R29-S609 PolarHBondContact NH1-O 3.31Å; R29-S609 PolarHBondContact NH2-OG 2.87Å; R29-S609 VanDerWaalsContact NH2-OG 3.12Å; V607-S609 WeakPolarHBondContact CG1-OG 3.22Å; S609-T614 WeakPolarHBondContact CB-OG1 3.28Å; S609-T614 PolarHBondContact OG-OG1 3.07Å
610	T	73.4	Confident	90.7	Very high	66 Å²	66	28.1 Å²	28.1	41%	0.405	16%	0.161	S	C	.	.			trans	-95.2	176.5	161.8	66.5	0	0	0	0	108	D612 Q613	T610-D612 PolarHBondContact O-N 3.35Å; T610-D612 PolarHBondContact OG1-N 3.2Å; T610-D612 PolarHBondContact OG1-OD2 3.1Å; T610-Q613 PolarHBondContact N-O 3.47Å; T610-Q613 PolarHBondContact OG1-N 2.9Å; T610-Q613 VanDerWaalsContact OG1-N 3.15Å; T610-Q613 PolarHBondContact OG1-O 3.16Å
611	P	71.1	Confident	90.9	Very high	134 Å²	134	33.8 Å²	33.8	87%	0.87	18%	0.179	S	C	*	.	S	Bend	trans	-59	-28.9	170.2	-24.9	36.8	0	0	0	113.2
612	D	69.6	Low	90.7	Very high	136 Å²	136	34.9 Å²	34.9	73%	0.727	19%	0.185	S	C	*	.	S	Bend	trans	-101.8	-24.4	-166.4	-27.7	-86.7	0	0	0	114	T610	T610-D612 PolarHBondContact O-N 3.35Å; T610-D612 PolarHBondContact OG1-N 3.2Å; T610-D612 PolarHBondContact OG1-OD2 3.1Å
613	Q	82.7	Confident	90.7	Very high	90 Å²	90	41.1 Å²	41.1	42%	0.421	21%	0.209	S	C	.	.			trans	-148.5	142.6	-177.6	-68.6	-177.2	0.5	0	0	111.7	T610	T610-Q613 PolarHBondContact N-O 3.47Å; T610-Q613 PolarHBondContact OG1-N 2.9Å; T610-Q613 VanDerWaalsContact OG1-N 3.15Å; T610-Q613 PolarHBondContact OG1-O 3.16Å
614	T	89.9	Confident	90.5	Very high	21 Å²	21	40 Å²	40	13%	0.129	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122	163	-70.3	0	0	0	0	111.5	T568 V607 S609 M630	T568-T614 HydrophobicContact CG2-CG2 3.9Å; V607-T614 HydrophobicContact CG1-CG2 3.82Å; S609-T614 WeakPolarHBondContact CB-OG1 3.28Å; S609-T614 PolarHBondContact OG-OG1 3.07Å; T614-M630 HydrophobicContact CG2-CB 4.14Å; T614-M630 HydrophobicContact CG2-CG 3.82Å; T614-M630 WeakPolarHBondContact O-CB 3.22Å; T614-M630 PolarHBondContact O-N 3.4Å
615	K	91.4	Very high	90.5	Very high	23 Å²	23	40 Å²	40	10%	0.1	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.6	176.1	-66.9	176	-176.1	168.3	0	110.5	F386 I608 F617 V627 W628	F386-K615 HydrophobicContact CE2-CD 4.48Å; I608-K615 PolarHBondContact N-O 2.89Å; I608-K615 PolarHBondContact O-N 3.07Å; K615-F617 HydrophobicContact CB-CE2 3.87Å; K615-F617 HydrophobicContact CB-CZ 4.13Å; K615-V627 HydrophobicContact CB-CG1 4.45Å; K615-V627 HydrophobicContact CD-CG1 4.37Å; K615-W628 CarbonylContact C-O 3.56Å; K615-W628 VanDerWaalsContact CA-O 3.25Å; K615-W628 WeakPolarHBondContact CA-O 3.28Å
616	V	95.1	Very high	90.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	139.1	169.9	170.3	0	0	0	0	109	T568 V573 L605 A606 V607 W628 M630	T568-V616 HydrophobicContact CG2-CG2 4.06Å; V573-V616 HydrophobicContact CG1-CG1 4.45Å; V573-V616 HydrophobicContact CG2-CG2 4.46Å; L605-V616 HydrophobicContact CD2-CG1 3.78Å; A606-V616 CarbonylContact O-C 3.01Å; A606-V616 WeakPolarHBondContact O-CA 3.31Å; V607-V616 HydrophobicContact CG1-CG2 4.43Å; V607-V616 HydrophobicContact CG2-CG2 4.34Å; V616-W628 HydrophobicContact CB-CB 4.38Å; V616-W628 PolarHBondContact N-O 2.97Å; V616-W628 PolarHBondContact O-N 2.87Å; V616-M630 HydrophobicContact CB-CG 4.33Å; V616-M630 HydrophobicContact CB-SD 3.91Å; V616-M630 HydrophobicContact CG2-CE 4.33Å; V616-M630 HydrophobicContact CG2-CG 3.65Å; V616-M630 HydrophobicContact CG2-SD 3.49Å; V616-M630 WeakPolarHBondContact CG2-SD 3.25Å
617	F	96.6	Very high	90.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	130.8	176.4	-61.3	-95.6	0	0	0	108.1	F386 L605 A606 I608 K615 R626 V627 L649 L656	F386-F617 HydrophobicContact CD1-CE1 4.3Å; F386-F617 HydrophobicContact CD2-CE1 4Å; F386-F617 HydrophobicContact CD2-CZ 4.2Å; F386-F617 HydrophobicContact CE1-CE1 4.22Å; F386-F617 HydrophobicContact CE1-CZ 4.12Å; F386-F617 AromaticContact CE2-CE1 3.92Å; F386-F617 HydrophobicContact CE2-CE1 3.92Å; F386-F617 AromaticContact CE2-CZ 3.63Å; F386-F617 HydrophobicContact CE2-CZ 3.63Å; F386-F617 HydrophobicContact CG-CE1 4.21Å; F386-F617 HydrophobicContact CZ-CE1 4.04Å; F386-F617 AromaticContact CZ-CZ 3.6Å; F386-F617 HydrophobicContact CZ-CZ 3.6Å; L605-F617 CarbonylContact C-O 3.59Å; L605-F617 VanDerWaalsContact CA-O 3.26Å; L605-F617 WeakPolarHBondContact CA-O 3.18Å; A606-F617 PolarHBondContact N-O 2.98Å; A606-F617 PolarHBondContact O-N 2.87Å; I608-F617 HydrophobicContact CB-CE2 3.89Å; I608-F617 HydrophobicContact CD1-CE2 3.6Å; I608-F617 HydrophobicContact CD1-CZ 3.78Å; I608-F617 HydrophobicContact CG1-CD2 4.41Å; I608-F617 HydrophobicContact CG1-CE2 3.66Å; I608-F617 HydrophobicContact CG1-CZ 4.35Å; K615-F617 HydrophobicContact CB-CE2 3.87Å; K615-F617 HydrophobicContact CB-CZ 4.13Å; F617-R626 WeakPolarHBondContact CA-O 3.4Å; F617-V627 HydrophobicContact CD1-CB 4.38Å; F617-V627 HydrophobicContact CD1-CG1 4.19Å; F617-V627 HydrophobicContact CD1-CG2 3.8Å; F617-V627 HydrophobicContact CE1-CB 4.19Å; F617-V627 HydrophobicContact CE1-CG1 3.65Å; F617-V627 HydrophobicContact CE1-CG2 3.63Å; F617-V627 HydrophobicContact CZ-CG1 3.96Å; F617-L649 HydrophobicContact CB-CD1 3.95Å; F617-L649 WeakPolarHBondContact O-CD1 3.3Å; F617-L656 HydrophobicContact CB-CD1 4.1Å; F617-L656 HydrophobicContact CB-CD2 4.39Å; F617-L656 HydrophobicContact CD1-CD1 4.25Å; F617-L656 HydrophobicContact CD1-CD2 3.45Å; F617-L656 VanDerWaalsContact CD1-CD2 3.45Å; F617-L656 HydrophobicContact CD1-CG 4.41Å; F617-L656 HydrophobicContact CD2-CD1 4.42Å; F617-L656 HydrophobicContact CE1-CD2 3.95Å; F617-L656 HydrophobicContact CG-CD1 3.99Å; F617-L656 HydrophobicContact CG-CD2 4.03Å
618	S	97.9	Very high	90.4	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142.5	173.8	58.9	0	0	0	0	110.7	I581 H598 A604 L625 R626 W628	I581-S618 VanDerWaalsContact CD1-CB 3.47Å; I581-S618 WeakPolarHBondContact CD1-OG 3.44Å; H598-S618 PolarHBondContact CD2-OG 3.06Å; H598-S618 PolarHBondContact NE2-OG 3.36Å; A604-S618 WeakPolarHBondContact O-CA 3.49Å; S618-L625 CarbonylContact O-C 3.58Å; S618-L625 WeakPolarHBondContact O-CA 3.3Å; S618-L625 WeakPolarHBondContact O-CB 3.24Å; S618-R626 PolarHBondContact N-O 3.46Å; S618-R626 PolarHBondContact O-N 3.17Å; S618-W628 PolarHBondContact OG-NE1 3Å
619	A	97.8	Very high	90.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	138.1	175.8	0	0	0	0	0	109.6	V602 Y603 A604 V646 L649	V602-A619 CarbonylContact C-O 3.49Å; V602-A619 WeakPolarHBondContact CA-O 3.5Å; Y603-A619 PolarHBondContact N-O 2.87Å; A604-A619 HydrophobicContact CB-CB 4.26Å; A604-A619 PolarHBondContact N-O 2.9Å; A604-A619 PolarHBondContact O-N 2.75Å; A619-V646 CarbonylContact C-O 3.56Å; A619-V646 HydrophobicContact CB-CB 3.81Å; A619-V646 HydrophobicContact CB-CG1 3.62Å; A619-L649 HydrophobicContact CB-CD1 3.87Å; A619-L649 HydrophobicContact CB-CD2 3.95Å; A619-L649 HydrophobicContact CB-CG 3.74Å
620	S	98.1	Very high	90.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	158.9	-172.6	175.7	0	0	0	0	114.5	H598 G600 T601 D622 R623 S624 V646	H598-S620 VanDerWaalsContact CE1-CB 3.45Å; H598-S620 WeakPolarHBondContact CE1-CB 3.43Å; H598-S620 WeakPolarHBondContact ND1-CB 3.25Å; G600-S620 PolarHBondContact O-OG 3.23Å; T601-S620 CarbonylContact O-C 3.29Å; T601-S620 WeakPolarHBondContact O-CA 3.06Å; T601-S620 PolarHBondContact O-OG 3.39Å; T601-S620 VanDerWaalsContact O-OG 3.12Å; S620-D622 WeakPolarHBondContact CB-OD1 3.38Å; S620-D622 PolarHBondContact O-N 3.43Å; S620-D622 VanDerWaalsContact O-N 3.14Å; S620-D622 PolarHBondContact OG-N 3.24Å; S620-R623 PolarHBondContact O-N 3.27Å; S620-R623 VanDerWaalsContact O-N 3.16Å; S620-S624 PolarHBondContact N-O 2.62Å; S620-V646 CarbonylContact C-O 3.54Å; S620-V646 PolarHBondContact N-O 2.83Å; S620-V646 PolarHBondContact O-N 3.4Å
621	Y	97.6	Very high	91.5	Very high	133 Å²	133	42.2 Å²	42.2	52%	0.522	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-43.6	-35.7	162	-176.8	-104.4	0	0	0	113.5	T601 Y603 R623 S645	T601-Y621 PolarHBondContact O-N 3.01Å; Y603-Y621 HydrophobicContact CE2-CD2 4.06Å; Y603-Y621 HydrophobicContact CE2-CG 4.45Å; Y603-Y621 VanDerWaalsContact OH-CD2 3.29Å; Y603-Y621 WeakPolarHBondContact OH-CD2 3.47Å; Y621-R623 PolarHBondContact O-N 3.1Å; Y621-S645 VanDerWaalsContact CD2-OG 3.24Å; Y621-S645 WeakPolarHBondContact CD2-OG 3.44Å; Y621-S645 WeakPolarHBondContact O-CB 3.3Å; Y621-S645 PolarHBondContact O-OG 2.89Å
622	D	94.7	Very high	92.2	Very high	31 Å²	31	39.8 Å²	39.8	17%	0.166	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-0.4	-178.4	69.8	21.7	0	0	0	115.8	H598 V599 S620 S624	H598-D622 VanDerWaalsContact CA-OD2 3.24Å; H598-D622 WeakPolarHBondContact CA-OD2 3.35Å; H598-D622 IonicContact CE1-OD1 3.69Å; H598-D622 IonicContact CE1-OD2 2.87Å; H598-D622 IonicContact CG-OD2 3.03Å; H598-D622 IonicContact ND1-OD1 2.73Å; H598-D622 PolarHBondContact ND1-OD1 3.12Å; H598-D622 IonicContact ND1-OD2 3.28Å; H598-D622 PolarHBondContact ND1-OD2 3.42Å; V599-D622 HydrophobicContact CB-CB 4.13Å; V599-D622 PolarHBondContact N-OD2 3.1Å; S620-D622 WeakPolarHBondContact CB-OD1 3.38Å; S620-D622 PolarHBondContact O-N 3.43Å; S620-D622 VanDerWaalsContact O-N 3.14Å; S620-D622 PolarHBondContact OG-N 3.24Å; D622-S624 PolarHBondContact O-N 2.88Å; D622-S624 WeakPolarHBondContact OD1-CA 3.38Å; D622-S624 VanDerWaalsContact OD1-CB 3.22Å; D622-S624 WeakPolarHBondContact OD1-CB 3.33Å; D622-S624 PolarHBondContact OD1-N 2.72Å; D622-S624 PolarHBondContact OD1-OG 2.96Å; D622-S624 PolarHBondContact OD2-OG 3.07Å
623	R	96.1	Very high	93.1	Very high	132 Å²	132	34.2 Å²	34.2	50%	0.498	16%	0.157	S	C	.	.	S	Bend	trans	75.5	3.4	-180	-42.1	170.6	-75.4	-176.5	-2.6	114.6	S620 Y621 Q643 V646	S620-R623 PolarHBondContact O-N 3.27Å; S620-R623 VanDerWaalsContact O-N 3.16Å; Y621-R623 PolarHBondContact O-N 3.1Å; R623-Q643 WeakPolarHBondContact CD-O 3.47Å; R623-V646 WeakPolarHBondContact O-CG2 3.44Å
624	S	95.1	Very high	93.3	Very high	5 Å²	5	33.8 Å²	33.8	4%	0.035	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	159.4	172.6	77.9	0	0	0	0	112.3	H598 S620 D622 L639	H598-S624 PolarHBondContact CE1-OG 2.7Å; H598-S624 PolarHBondContact ND1-OG 2.63Å; S620-S624 PolarHBondContact N-O 2.62Å; D622-S624 PolarHBondContact O-N 2.88Å; D622-S624 WeakPolarHBondContact OD1-CA 3.38Å; D622-S624 VanDerWaalsContact OD1-CB 3.22Å; D622-S624 WeakPolarHBondContact OD1-CB 3.33Å; D622-S624 PolarHBondContact OD1-N 2.72Å; D622-S624 PolarHBondContact OD1-OG 2.96Å; D622-S624 PolarHBondContact OD2-OG 3.07Å; S624-L639 WeakPolarHBondContact CA-O 3.01Å
625	L	97	Very high	93.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	149.8	149	-48.1	73.5	0	0	0	108.6	S618 T638 L639 V646 L649 L656 W668	S618-L625 CarbonylContact O-C 3.58Å; S618-L625 WeakPolarHBondContact O-CA 3.3Å; S618-L625 WeakPolarHBondContact O-CB 3.24Å; L625-T638 CarbonylContact O-C 3.53Å; L625-T638 WeakPolarHBondContact O-CA 3.26Å; L625-L639 HydrophobicContact CB-CB 4.05Å; L625-L639 HydrophobicContact CB-CD1 4.19Å; L625-L639 HydrophobicContact CD1-CB 4.16Å; L625-L639 HydrophobicContact CD2-CD1 4.35Å; L625-L639 PolarHBondContact N-O 3.16Å; L625-L639 PolarHBondContact O-N 2.8Å; L625-V646 HydrophobicContact CD1-CG1 4.18Å; L625-V646 HydrophobicContact CD1-CG2 4.03Å; L625-V646 HydrophobicContact CG-CG1 4.15Å; L625-L649 HydrophobicContact CD2-CD2 3.56Å; L625-L649 HydrophobicContact CG-CD2 4.34Å; L625-L656 HydrophobicContact CD2-CD2 3.65Å; L625-W668 HydrophobicContact CD1-CH2 4.19Å; L625-W668 HydrophobicContact CD1-CZ2 3.57Å
626	R	95.5	Very high	93.3	Very high	50 Å²	50	36.9 Å²	36.9	19%	0.189	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	142.3	167.9	-71.8	176.8	172.6	-87.4	2.7	110.4	G597 F617 S618 W628 C635 Q637 T638	G597-R626 VanDerWaalsContact O-CZ 3.24Å; G597-R626 PolarHBondContact O-NE 2.87Å; G597-R626 VanDerWaalsContact O-NE 3.14Å; G597-R626 PolarHBondContact O-NH2 3.31Å; F617-R626 WeakPolarHBondContact CA-O 3.4Å; S618-R626 PolarHBondContact N-O 3.46Å; S618-R626 PolarHBondContact O-N 3.17Å; R626-W628 HydrophobicContact CB-CZ2 3.86Å; R626-W628 HydrophobicContact CG-CZ2 4.34Å; R626-C635 PolarHBondContact NH1-SG 2.96Å; R626-Q637 WeakPolarHBondContact CA-O 3.14Å; R626-T638 HydrophobicContact CG-CG2 4.15Å; R626-T638 PolarHBondContact NH1-OG1 3.46Å
627	V	94.7	Very high	93	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	121.7	174.8	-169.9	0	0	0	0	107.3	K615 F617 C635 T636 Q637 L639	K615-V627 HydrophobicContact CB-CG1 4.45Å; K615-V627 HydrophobicContact CD-CG1 4.37Å; F617-V627 HydrophobicContact CD1-CB 4.38Å; F617-V627 HydrophobicContact CD1-CG1 4.19Å; F617-V627 HydrophobicContact CD1-CG2 3.8Å; F617-V627 HydrophobicContact CE1-CB 4.19Å; F617-V627 HydrophobicContact CE1-CG1 3.65Å; F617-V627 HydrophobicContact CE1-CG2 3.63Å; F617-V627 HydrophobicContact CZ-CG1 3.96Å; V627-C635 CarbonylContact O-C 3.54Å; V627-C635 WeakPolarHBondContact O-CA 3.35Å; V627-T636 PolarHBondContact O-N 2.87Å; V627-T636 PolarHBondContact O-OG1 2.89Å; V627-Q637 HydrophobicContact CB-CB 4Å; V627-Q637 HydrophobicContact CG2-CB 3.93Å; V627-Q637 PolarHBondContact N-O 3.03Å; V627-Q637 PolarHBondContact O-N 2.89Å; V627-L639 HydrophobicContact CG2-CD1 3.99Å; V627-L639 HydrophobicContact CG2-CG 4.32Å
628	W	93.6	Very high	92.9	Very high	8 Å²	8	41.6 Å²	41.6	3%	0.03	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	129.3	-178.2	-52.2	89.5	0	0	0	109.4	I581 L595 T596 K615 V616 S618 R626 I634 C635	I581-W628 HydrophobicContact CD1-CZ2 3.89Å; L595-W628 HydrophobicContact CB-CD2 4.38Å; L595-W628 HydrophobicContact CB-CE3 3.86Å; L595-W628 HydrophobicContact CB-CH2 3.89Å; L595-W628 HydrophobicContact CB-CZ2 4.38Å; L595-W628 HydrophobicContact CB-CZ3 3.6Å; L595-W628 HydrophobicContact CD1-CB 4.32Å; L595-W628 HydrophobicContact CD1-CD2 3.82Å; L595-W628 HydrophobicContact CD1-CE3 3.78Å; L595-W628 HydrophobicContact CD1-CG 4.06Å; L595-W628 HydrophobicContact CD1-CZ3 4.4Å; L595-W628 HydrophobicContact CG-CE3 4.31Å; L595-W628 HydrophobicContact CG-CZ3 4.49Å; T596-W628 WeakPolarHBondContact O-CH2 3.18Å; K615-W628 CarbonylContact C-O 3.56Å; K615-W628 VanDerWaalsContact CA-O 3.25Å; K615-W628 WeakPolarHBondContact CA-O 3.28Å; V616-W628 HydrophobicContact CB-CB 4.38Å; V616-W628 PolarHBondContact N-O 2.97Å; V616-W628 PolarHBondContact O-N 2.87Å; S618-W628 PolarHBondContact OG-NE1 3Å; R626-W628 HydrophobicContact CB-CZ2 3.86Å; R626-W628 HydrophobicContact CG-CZ2 4.34Å; W628-I634 VanDerWaalsContact CA-O 3.31Å; W628-I634 WeakPolarHBondContact CA-O 3.45Å; W628-C635 HydrophobicContact CD2-CB 4.33Å; W628-C635 HydrophobicContact CE3-CB 3.71Å; W628-C635 HydrophobicContact CH2-CB 4.01Å; W628-C635 HydrophobicContact CZ3-CB 3.52Å
629	S	90.8	Very high	92.6	Very high	14 Å²	14	41.9 Å²	41.9	10%	0.098	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	122.7	165.9	166.4	0	0	0	0	108.3	D631 N632 M633 I634	S629-D631 VanDerWaalsContact C-N 3.32Å; S629-N632 WeakPolarHBondContact CB-OD1 3.48Å; S629-N632 PolarHBondContact OG-OD1 3.02Å; S629-M633 WeakPolarHBondContact O-CA 3.45Å; S629-M633 PolarHBondContact O-N 2.92Å; S629-I634 PolarHBondContact N-O 3.26Å; S629-I634 PolarHBondContact O-N 3.35Å
630	M	89.4	Confident	92.4	Very high	8 Å²	8	47.4 Å²	47.4	4%	0.039	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-17.5	179.8	-63.2	-57.6	-69.7	0	0	112.7	H571 V573 V583 T614 V616 N632 M633	H571-M630 HydrophobicContact CB-CE 3.95Å; V573-M630 HydrophobicContact CG2-CE 3.64Å; V583-M630 HydrophobicContact CG1-CE 4Å; V583-M630 HydrophobicContact CG2-CE 4.46Å; T614-M630 HydrophobicContact CG2-CB 4.14Å; T614-M630 HydrophobicContact CG2-CG 3.82Å; T614-M630 WeakPolarHBondContact O-CB 3.22Å; T614-M630 PolarHBondContact O-N 3.4Å; V616-M630 HydrophobicContact CB-CG 4.33Å; V616-M630 HydrophobicContact CB-SD 3.91Å; V616-M630 HydrophobicContact CG2-CE 4.33Å; V616-M630 HydrophobicContact CG2-CG 3.65Å; V616-M630 HydrophobicContact CG2-SD 3.49Å; V616-M630 WeakPolarHBondContact CG2-SD 3.25Å; M630-N632 VanDerWaalsContact C-N 3.28Å; M630-N632 PolarHBondContact O-N 3.18Å; M630-M633 HydrophobicContact CE-CE 3.75Å; M630-M633 HydrophobicContact CE-SD 3.6Å; M630-M633 VanDerWaalsContact CE-SD 3.6Å; M630-M633 WeakPolarHBondContact O-CE 3.48Å; M630-M633 HydrophobicContact SD-SD 3.99Å
631	D	87	Confident	92.1	Very high	100 Å²	100	55.4 Å²	55.4	54%	0.535	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-25.9	-175	-41.5	-41	0	0	0	111.5	S629	S629-D631 VanDerWaalsContact C-N 3.32Å
632	N	84.9	Confident	91.9	Very high	83 Å²	83	49.5 Å²	49.5	44%	0.444	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.4	0.1	176	58.3	-1.1	0	0	0	113.9	R593 S629 M630 I634	R593-N632 PolarHBondContact NH1-O 2.82Å; S629-N632 WeakPolarHBondContact CB-OD1 3.48Å; S629-N632 PolarHBondContact OG-OD1 3.02Å; M630-N632 VanDerWaalsContact C-N 3.28Å; M630-N632 PolarHBondContact O-N 3.18Å; N632-I634 WeakPolarHBondContact ND2-CD1 3.24Å
633	M	88.9	Confident	91.7	Very high	18 Å²	18	55 Å²	55	9%	0.089	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	50.5	176.1	-56	-74.5	-176.1	0	0	113.8	H571 V583 R593 L595 S629 M630	H571-M633 WeakPolarHBondContact CE1-CE 3.14Å; H571-M633 WeakPolarHBondContact NE2-CE 3.4Å; V583-M633 HydrophobicContact CG1-CE 3.82Å; V583-M633 HydrophobicContact CG1-SD 4.14Å; V583-M633 HydrophobicContact CG2-SD 4.43Å; R593-M633 PolarHBondContact NH1-O 3.22Å; L595-M633 HydrophobicContact CD2-CB 3.96Å; S629-M633 WeakPolarHBondContact O-CA 3.45Å; S629-M633 PolarHBondContact O-N 2.92Å; M630-M633 HydrophobicContact CE-CE 3.75Å; M630-M633 HydrophobicContact CE-SD 3.6Å; M630-M633 VanDerWaalsContact CE-SD 3.6Å; M630-M633 WeakPolarHBondContact O-CE 3.48Å; M630-M633 HydrophobicContact SD-SD 3.99Å
634	I	86.8	Confident	91.6	Very high	82 Å²	82	49.3 Å²	49.3	42%	0.421	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	153	176.5	74.2	179.8	0	0	0	112.2	W628 S629 N632 T636	W628-I634 VanDerWaalsContact CA-O 3.31Å; W628-I634 WeakPolarHBondContact CA-O 3.45Å; S629-I634 PolarHBondContact N-O 3.26Å; S629-I634 PolarHBondContact O-N 3.35Å; N632-I634 WeakPolarHBondContact ND2-CD1 3.24Å; I634-T636 HydrophobicContact CD1-CG2 4.5Å; I634-T636 HydrophobicContact CG1-CG2 4.08Å; I634-T636 PolarHBondContact O-N 3Å
635	C	91.8	Very high	91.7	Very high	42 Å²	42	49.7 Å²	49.7	28%	0.284	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	109.8	167.6	-178.7	0	0	0	0	109.1	R626 V627 W628 Q637	R626-C635 PolarHBondContact NH1-SG 2.96Å; V627-C635 CarbonylContact O-C 3.54Å; V627-C635 WeakPolarHBondContact O-CA 3.35Å; W628-C635 HydrophobicContact CD2-CB 4.33Å; W628-C635 HydrophobicContact CE3-CB 3.71Å; W628-C635 HydrophobicContact CH2-CB 4.01Å; W628-C635 HydrophobicContact CZ3-CB 3.52Å; C635-Q637 PolarHBondContact SG-O 3.32Å; C635-Q637 VanDerWaalsContact SG-O 3.41Å
636	T	89.1	Confident	91.8	Very high	67 Å²	67	49.7 Å²	49.7	41%	0.411	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-26.1	177.4	53.7	0	0	0	0	112.7	V627 I634	V627-T636 PolarHBondContact O-N 2.87Å; V627-T636 PolarHBondContact O-OG1 2.89Å; I634-T636 HydrophobicContact CD1-CG2 4.5Å; I634-T636 HydrophobicContact CG1-CG2 4.08Å; I634-T636 PolarHBondContact O-N 3Å
637	Q	90.2	Very high	91.9	Very high	40 Å²	40	47.3 Å²	47.3	19%	0.187	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	145.4	179.2	-163.3	-177	1.6	0	0	112.3	F386 R626 V627 C635 L639	F386-Q637 PolarHBondContact O-NE2 2.9Å; R626-Q637 WeakPolarHBondContact CA-O 3.14Å; V627-Q637 HydrophobicContact CB-CB 4Å; V627-Q637 HydrophobicContact CG2-CB 3.93Å; V627-Q637 PolarHBondContact N-O 3.03Å; V627-Q637 PolarHBondContact O-N 2.89Å; C635-Q637 PolarHBondContact SG-O 3.32Å; C635-Q637 VanDerWaalsContact SG-O 3.41Å; Q637-L639 HydrophobicContact CG-CD2 4.15Å
638	T	93.5	Very high	92	Very high	58 Å²	58	47.2 Å²	47.2	36%	0.356	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	134.8	165.2	-53.3	0	0	0	0	109.5	L625 R626 L640	L625-T638 CarbonylContact O-C 3.53Å; L625-T638 WeakPolarHBondContact O-CA 3.26Å; R626-T638 HydrophobicContact CG-CG2 4.15Å; R626-T638 PolarHBondContact NH1-OG1 3.46Å; T638-L640 HydrophobicContact CG2-CG 4.3Å
639	L	93.1	Very high	92.2	Very high	6 Å²	6	46.9 Å²	46.9	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	108.9	-173.2	-63.8	175.5	0	0	0	109.8	F386 S624 L625 V627 Q637 W668	F386-L639 HydrophobicContact CB-CD1 4.16Å; F386-L639 HydrophobicContact CB-CD2 4.16Å; F386-L639 WeakPolarHBondContact O-CD2 3.42Å; S624-L639 WeakPolarHBondContact CA-O 3.01Å; L625-L639 HydrophobicContact CB-CB 4.05Å; L625-L639 HydrophobicContact CB-CD1 4.19Å; L625-L639 HydrophobicContact CD1-CB 4.16Å; L625-L639 HydrophobicContact CD2-CD1 4.35Å; L625-L639 PolarHBondContact N-O 3.16Å; L625-L639 PolarHBondContact O-N 2.8Å; V627-L639 HydrophobicContact CG2-CD1 3.99Å; V627-L639 HydrophobicContact CG2-CG 4.32Å; Q637-L639 HydrophobicContact CG-CD2 4.15Å; L639-W668 HydrophobicContact CB-CE3 4.3Å; L639-W668 HydrophobicContact CB-CH2 3.76Å; L639-W668 HydrophobicContact CB-CZ2 4.45Å; L639-W668 HydrophobicContact CB-CZ3 3.7Å; L639-W668 HydrophobicContact CD1-CD2 4.18Å; L639-W668 HydrophobicContact CD1-CE3 3.92Å; L639-W668 HydrophobicContact CD1-CZ3 4.19Å; L639-W668 HydrophobicContact CD2-CE3 3.91Å; L639-W668 HydrophobicContact CD2-CZ3 3.79Å; L639-W668 HydrophobicContact CG-CE3 4.28Å; L639-W668 HydrophobicContact CG-CZ3 4.11Å
640	L	91.9	Very high	92.3	Very high	117 Å²	117	46.2 Å²	46.2	61%	0.613	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-116.1	95.3	-176.8	-66.6	169.8	0	0	0	110.3	T638	T638-L640 HydrophobicContact CG2-CG 4.3Å
641	R	91.9	Very high	92.4	Very high	168 Å²	168	46.4 Å²	46.4	63%	0.634	24%	0.239	S	C	*	.			trans	-142.5	-16.5	173.6	-65.4	-64.5	-179.5	-159.4	2.6	115.4	C388 K666 W668	C388-R641 HydrophobicContact CB-CG 4.1Å; R641-K666 HydrophobicContact CB-CD 3.96Å; R641-K666 WeakPolarHBondContact O-CE 3.31Å; R641-W668 HydrophobicContact CB-CH2 3.57Å; R641-W668 HydrophobicContact CB-CZ2 4.22Å; R641-W668 HydrophobicContact CB-CZ3 4.32Å; R641-W668 HydrophobicContact CG-CH2 3.64Å; R641-W668 HydrophobicContact CG-CZ3 3.89Å
642	H	93.1	Very high	92.5	Very high	9 Å²	9	42 Å²	42	4%	0.042	22%	0.216	C	C	.	.			trans	-79.1	149.6	172.9	-79.2	-76.4	0	0	0	110.9	G644 V646 S658 A660 D662 K666	H642-G644 WeakPolarHBondContact CB-O 3.39Å; H642-V646 HydrophobicContact CB-CG2 3.85Å; H642-S658 PolarHBondContact CE1-O 3.06Å; H642-S658 PolarHBondContact NE2-O 3.14Å; H642-S658 PolarHBondContact NE2-OG 3.24Å; H642-A660 HydrophobicContact CB-CB 4.16Å; H642-A660 VanDerWaalsContact CE1-CB 3.43Å; H642-A660 WeakPolarHBondContact CE1-CB 3.32Å; H642-A660 WeakPolarHBondContact ND1-CB 3.39Å; H642-D662 VanDerWaalsContact CA-OD2 3.24Å; H642-D662 WeakPolarHBondContact CA-OD2 3.49Å; H642-D662 WeakPolarHBondContact CB-OD2 3.25Å; H642-D662 IonicContact CE1-OD1 2.62Å; H642-D662 IonicContact CG-OD2 2.63Å; H642-D662 IonicContact ND1-OD1 3.89Å; H642-D662 PolarHBondContact ND1-OD1 2.77Å; H642-D662 IonicContact ND1-OD2 3.41Å; H642-D662 PolarHBondContact ND1-OD2 3.35Å; H642-K666 VanDerWaalsContact CE1-CG 3.47Å; H642-K666 WeakPolarHBondContact CE1-CG 3.47Å; H642-K666 WeakPolarHBondContact ND1-CE 3.49Å
643	Q	91.3	Very high	92.4	Very high	146 Å²	146	45.1 Å²	45.1	68%	0.682	22%	0.222	S	C	*	.	S	Bend	trans	-96.2	-24.2	177.6	-60.4	-57.9	-32.3	0	0	112	R623 D662	R623-Q643 WeakPolarHBondContact CD-O 3.47Å; Q643-D662 HydrophobicContact CB-CB 4.2Å; Q643-D662 PolarHBondContact N-OD2 2.82Å
644	G	94.2	Very high	92.1	Very high	12 Å²	12	46.4 Å²	46.4	12%	0.124	24%	0.24	C	C	.	.	S	Bend	trans	-112.9	169.3	171.8	0	0	0	0	0	111.6	H642 V646	H642-G644 WeakPolarHBondContact CB-O 3.39Å; G644-V646 PolarHBondContact O-N 3.1Å
645	S	97.4	Very high	92.1	Very high	14 Å²	14	43.9 Å²	43.9	10%	0.098	23%	0.225	C	C	.	.			trans	-52	136.6	179.2	-58.3	0	0	0	0	112.3	Y621 A660 V661	Y621-S645 VanDerWaalsContact CD2-OG 3.24Å; Y621-S645 WeakPolarHBondContact CD2-OG 3.44Å; Y621-S645 WeakPolarHBondContact O-CB 3.3Å; Y621-S645 PolarHBondContact O-OG 2.89Å; S645-A660 CarbonylContact O-C 3.57Å; S645-A660 WeakPolarHBondContact O-CA 3.32Å; S645-A660 VanDerWaalsContact O-CB 3.23Å; S645-A660 WeakPolarHBondContact O-CB 3.48Å; S645-V661 PolarHBondContact O-N 2.87Å
646	V	98.2	Very high	92.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	119.8	177.9	-164.6	0	0	0	0	108.2	Y603 A619 S620 R623 L625 H642 G644 G659	Y603-V646 WeakPolarHBondContact CD2-O 3.33Å; A619-V646 CarbonylContact C-O 3.56Å; A619-V646 HydrophobicContact CB-CB 3.81Å; A619-V646 HydrophobicContact CB-CG1 3.62Å; S620-V646 CarbonylContact C-O 3.54Å; S620-V646 PolarHBondContact N-O 2.83Å; S620-V646 PolarHBondContact O-N 3.4Å; R623-V646 WeakPolarHBondContact O-CG2 3.44Å; L625-V646 HydrophobicContact CD1-CG1 4.18Å; L625-V646 HydrophobicContact CD1-CG2 4.03Å; L625-V646 HydrophobicContact CG-CG1 4.15Å; H642-V646 HydrophobicContact CB-CG2 3.85Å; G644-V646 PolarHBondContact O-N 3.1Å; V646-G659 WeakPolarHBondContact CG1-O 3.04Å
647	T	97.7	Very high	92.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-46.9	-163.7	36.9	0	0	0	0	111.5	F34 V399 W400 Y603 A604 G659 A660 V661	F34-T647 CarbonylContact O-C 3.57Å; V399-T647 PolarHBondContact O-OG1 2.62Å; W400-T647 HydrophobicContact CE3-CG2 3.6Å; W400-T647 HydrophobicContact CH2-CG2 4.47Å; W400-T647 HydrophobicContact CZ3-CG2 3.44Å; W400-T647 VanDerWaalsContact CZ3-CG2 3.44Å; Y603-T647 CarbonylContact C-O 3.51Å; Y603-T647 WeakPolarHBondContact CB-O 3.47Å; Y603-T647 HydrophobicContact CD2-CG2 4Å; Y603-T647 HydrophobicContact CE2-CG2 4.42Å; A604-T647 VanDerWaalsContact CB-O 3.24Å; A604-T647 WeakPolarHBondContact CB-O 3.13Å; T647-G659 PolarHBondContact N-O 3.4Å; T647-G659 PolarHBondContact OG1-O 3.39Å; T647-A660 WeakPolarHBondContact OG1-CA 3.47Å; T647-A660 PolarHBondContact OG1-N 3.46Å; T647-V661 HydrophobicContact CG2-CG2 3.89Å
648	A	96.9	Very high	92.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	148.5	-173.6	0	0	0	0	0	112.2	F34 L402 S658 G659	F34-A648 WeakPolarHBondContact O-CA 3.44Å; F34-A648 WeakPolarHBondContact O-CB 3.37Å; L402-A648 HydrophobicContact CB-CB 4.29Å; L402-A648 HydrophobicContact CG-CB 3.93Å; A648-S658 CarbonylContact O-C 3.52Å; A648-S658 WeakPolarHBondContact O-CA 3.22Å; A648-G659 PolarHBondContact N-O 2.79Å; A648-G659 PolarHBondContact O-N 2.75Å
649	L	97.7	Very high	93.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147.4	172.5	-64.8	179.6	0	0	0	110.7	A604 A606 F617 A619 L625 L656 F657	A604-L649 HydrophobicContact CB-CB 4.18Å; A604-L649 HydrophobicContact CB-CD1 4.41Å; A604-L649 HydrophobicContact CB-CG 4Å; A606-L649 HydrophobicContact CB-CB 3.85Å; A606-L649 HydrophobicContact CB-CD1 4.19Å; F617-L649 HydrophobicContact CB-CD1 3.95Å; F617-L649 WeakPolarHBondContact O-CD1 3.3Å; A619-L649 HydrophobicContact CB-CD1 3.87Å; A619-L649 HydrophobicContact CB-CD2 3.95Å; A619-L649 HydrophobicContact CB-CG 3.74Å; L625-L649 HydrophobicContact CD2-CD2 3.56Å; L625-L649 HydrophobicContact CG-CD2 4.34Å; L649-L656 HydrophobicContact CB-CD1 4.49Å; L649-L656 HydrophobicContact CD2-CD1 4.22Å; L649-F657 WeakPolarHBondContact CA-O 3.34Å
650	A	94.5	Very high	93.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	153.9	168.8	0	0	0	0	0	110.4	L402 V404 L411 F657	L402-A650 HydrophobicContact CB-CB 3.72Å; L402-A650 HydrophobicContact CD1-CB 4.4Å; V404-A650 HydrophobicContact CG2-CB 4.09Å; L411-A650 HydrophobicContact CD1-CB 4.35Å; A650-F657 HydrophobicContact CB-CB 4.36Å; A650-F657 PolarHBondContact N-O 3.18Å; A650-F657 PolarHBondContact O-N 3.28Å
651	V	90.8	Very high	93.6	Very high	12 Å²	12	30.9 Å²	30.9	7%	0.073	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	111.5	-168	167.1	0	0	0	0	111.2	A606 I608 R655 L656	A606-V651 HydrophobicContact CB-CG2 3.67Å; I608-V651 HydrophobicContact CD1-CG1 4.11Å; I608-V651 HydrophobicContact CG1-CG1 3.4Å; I608-V651 HydrophobicContact CG1-CG2 4.3Å; V651-R655 WeakPolarHBondContact CA-O 3.11Å; V651-L656 HydrophobicContact CG2-CD1 3.53Å
652	S	87.9	Confident	93.8	Very high	7 Å²	7	24.5 Å²	24.5	5%	0.049	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	130.5	-178.9	177.5	0	0	0	0	112.9	G654 R655	S652-G654 VanDerWaalsContact C-N 3.32Å; S652-G654 PolarHBondContact O-N 2.86Å; S652-R655 PolarHBondContact N-O 2.83Å; S652-R655 VanDerWaalsContact O-CB 3.31Å; S652-R655 WeakPolarHBondContact O-CB 3.42Å; S652-R655 PolarHBondContact O-N 2.8Å; S652-R655 PolarHBondContact O-NE 2.97Å
653	R	83.1	Confident	93.9	Very high	149 Å²	149	25.4 Å²	25.4	56%	0.562	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	45.9	-179.2	-55	-174.3	-172.1	165.1	10.6	113.6	S406 D409 R655	S406-R653 PolarHBondContact O-NH2 3.1Å; D409-R653 VanDerWaalsContact CG-CZ 3.41Å; D409-R653 VanDerWaalsContact CG-NH2 3.26Å; D409-R653 IonicContact OD1-CZ 3.47Å; D409-R653 IonicContact OD1-NE 2.78Å; D409-R653 IonicContact OD1-NH1 3.99Å; D409-R653 PolarHBondContact OD1-NH1 3.14Å; D409-R653 IonicContact OD1-NH2 3.48Å; D409-R653 PolarHBondContact OD1-NH2 3.24Å; D409-R653 IonicContact OD2-CZ 2.71Å; D409-R653 IonicContact OD2-NH1 3.2Å; D409-R653 PolarHBondContact OD2-NH1 2.63Å; D409-R653 IonicContact OD2-NH2 3.84Å; D409-R653 PolarHBondContact OD2-NH2 2.76Å; R653-R655 PolarHBondContact O-N 2.91Å
654	G	82.2	Confident	94.1	Very high	46 Å²	46	19.4 Å²	19.4	47%	0.474	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	-2.3	-179.2	0	0	0	0	0	115.3	S652	S652-G654 VanDerWaalsContact C-N 3.32Å; S652-G654 PolarHBondContact O-N 2.86Å
655	R	88.6	Confident	94.2	Very high	29 Å²	29	18.9 Å²	18.9	11%	0.109	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	139.9	177.8	-48.1	176.6	-71.7	-176.3	0.4	109.7	D409 T425 C426 V651 S652 R653 F657 T669	D409-R655 IonicContact OD1-NH2 2.89Å; D409-R655 PolarHBondContact OD1-NH2 3.01Å; T425-R655 PolarHBondContact O-NH1 3.46Å; T425-R655 PolarHBondContact OG1-NH2 3.49Å; T425-R655 VanDerWaalsContact OG1-NH2 3.07Å; C426-R655 PolarHBondContact SG-NH1 3.39Å; C426-R655 PolarHBondContact SG-NH2 2.89Å; C426-R655 VanDerWaalsContact SG-NH2 3.45Å; V651-R655 WeakPolarHBondContact CA-O 3.11Å; S652-R655 PolarHBondContact N-O 2.83Å; S652-R655 VanDerWaalsContact O-CB 3.31Å; S652-R655 WeakPolarHBondContact O-CB 3.42Å; S652-R655 PolarHBondContact O-N 2.8Å; S652-R655 PolarHBondContact O-NE 2.97Å; R653-R655 PolarHBondContact O-N 2.91Å; R655-F657 HydrophobicContact CB-CE2 4.07Å; R655-F657 HydrophobicContact CB-CZ 4.25Å; R655-T669 HydrophobicContact CB-CG2 4.09Å; R655-T669 HydrophobicContact CG-CG2 3.75Å
656	L	93.6	Very high	94.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	136.7	172.6	177.7	76.1	0	0	0	108.8	F386 F617 L625 L649 V651 W668	F386-L656 HydrophobicContact CE1-CB 4.4Å; F617-L656 HydrophobicContact CB-CD1 4.1Å; F617-L656 HydrophobicContact CB-CD2 4.39Å; F617-L656 HydrophobicContact CD1-CD1 4.25Å; F617-L656 HydrophobicContact CD1-CD2 3.45Å; F617-L656 VanDerWaalsContact CD1-CD2 3.45Å; F617-L656 HydrophobicContact CD1-CG 4.41Å; F617-L656 HydrophobicContact CD2-CD1 4.42Å; F617-L656 HydrophobicContact CE1-CD2 3.95Å; F617-L656 HydrophobicContact CG-CD1 3.99Å; F617-L656 HydrophobicContact CG-CD2 4.03Å; L625-L656 HydrophobicContact CD2-CD2 3.65Å; L649-L656 HydrophobicContact CB-CD1 4.49Å; L649-L656 HydrophobicContact CD2-CD1 4.22Å; V651-L656 HydrophobicContact CG2-CD1 3.53Å; L656-W668 HydrophobicContact CB-CB 4.23Å; L656-W668 HydrophobicContact CD2-CB 4.46Å; L656-W668 HydrophobicContact CD2-CG 4.35Å; L656-W668 PolarHBondContact N-O 2.96Å; L656-W668 PolarHBondContact O-N 3.46Å
657	F	95.6	Very high	93.9	Very high	1 Å²	1	19.5 Å²	19.5	0%	0.004	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	140.2	172.3	-58.7	-88.7	0	0	0	108.8	F392 L402 V404 L411 T425 L649 A650 R655 V665 K666 V667	F392-F657 HydrophobicContact CE2-CD1 4.28Å; F392-F657 HydrophobicContact CE2-CE1 4.21Å; L402-F657 HydrophobicContact CD1-CB 3.93Å; V404-F657 HydrophobicContact CG2-CD2 4.01Å; V404-F657 HydrophobicContact CG2-CE2 4.12Å; L411-F657 HydrophobicContact CD2-CB 4.12Å; L411-F657 HydrophobicContact CD2-CD1 3.66Å; L411-F657 HydrophobicContact CD2-CE1 4.27Å; L411-F657 HydrophobicContact CD2-CG 3.96Å; T425-F657 HydrophobicContact CG2-CE1 3.8Å; T425-F657 HydrophobicContact CG2-CZ 3.75Å; L649-F657 WeakPolarHBondContact CA-O 3.34Å; A650-F657 HydrophobicContact CB-CB 4.36Å; A650-F657 PolarHBondContact N-O 3.18Å; A650-F657 PolarHBondContact O-N 3.28Å; R655-F657 HydrophobicContact CB-CE2 4.07Å; R655-F657 HydrophobicContact CB-CZ 4.25Å; F657-V665 HydrophobicContact CB-CG1 4.49Å; F657-K666 CarbonylContact C-O 3.52Å; F657-K666 VanDerWaalsContact CA-O 3.32Å; F657-K666 WeakPolarHBondContact CA-O 3.47Å; F657-V667 HydrophobicContact CD1-CB 4.4Å; F657-V667 HydrophobicContact CD1-CG1 4.18Å; F657-V667 HydrophobicContact CD1-CG2 3.9Å; F657-V667 HydrophobicContact CE1-CB 4.35Å; F657-V667 HydrophobicContact CE1-CG1 3.77Å; F657-V667 HydrophobicContact CE1-CG2 3.85Å; F657-V667 HydrophobicContact CZ-CG1 4.41Å
658	S	97.9	Very high	93.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	126.1	179.1	64.9	0	0	0	0	113.1	H642 A648 V665 K666 W668	H642-S658 PolarHBondContact CE1-O 3.06Å; H642-S658 PolarHBondContact NE2-O 3.14Å; H642-S658 PolarHBondContact NE2-OG 3.24Å; A648-S658 CarbonylContact O-C 3.52Å; A648-S658 WeakPolarHBondContact O-CA 3.22Å; S658-V665 CarbonylContact O-C 3.59Å; S658-V665 VanDerWaalsContact O-CA 3.23Å; S658-V665 WeakPolarHBondContact O-CA 3.44Å; S658-K666 PolarHBondContact N-O 2.79Å; S658-K666 PolarHBondContact O-N 2.98Å; S658-W668 PolarHBondContact OG-NE1 3.22Å
659	G	97.6	Very high	93.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	150.2	175	0	0	0	0	0	110.3	L402 V646 T647 A648	L402-G659 VanDerWaalsContact CD1-N 3.35Å; V646-G659 WeakPolarHBondContact CG1-O 3.04Å; T647-G659 PolarHBondContact N-O 3.4Å; T647-G659 PolarHBondContact OG1-O 3.39Å; A648-G659 PolarHBondContact N-O 2.79Å; A648-G659 PolarHBondContact O-N 2.75Å
660	A	98.1	Very high	92.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	169.1	-176.3	0	0	0	0	0	113.9	V399 H642 S645 T647 D662 S663 T664	V399-A660 PolarHBondContact N-O 2.81Å; H642-A660 HydrophobicContact CB-CB 4.16Å; H642-A660 VanDerWaalsContact CE1-CB 3.43Å; H642-A660 WeakPolarHBondContact CE1-CB 3.32Å; H642-A660 WeakPolarHBondContact ND1-CB 3.39Å; S645-A660 CarbonylContact O-C 3.57Å; S645-A660 WeakPolarHBondContact O-CA 3.32Å; S645-A660 VanDerWaalsContact O-CB 3.23Å; S645-A660 WeakPolarHBondContact O-CB 3.48Å; T647-A660 WeakPolarHBondContact OG1-CA 3.47Å; T647-A660 PolarHBondContact OG1-N 3.46Å; A660-D662 PolarHBondContact O-N 3.31Å; A660-S663 PolarHBondContact O-N 2.86Å; A660-S663 VanDerWaalsContact O-N 3.15Å; A660-T664 PolarHBondContact N-O 2.95Å
661	V	97.9	Very high	92.1	Very high	55 Å²	55	25.8 Å²	25.8	33%	0.333	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.4	171.1	174	0	0	0	0	112.6	P398 W400 S645 T647 S663	P398-V661 HydrophobicContact CB-CG2 4.42Å; P398-V661 HydrophobicContact CG-CB 4.38Å; P398-V661 HydrophobicContact CG-CG1 4.04Å; W400-V661 HydrophobicContact CH2-CG2 4.33Å; S645-V661 PolarHBondContact O-N 2.87Å; T647-V661 HydrophobicContact CG2-CG2 3.89Å; V661-S663 PolarHBondContact O-N 2.84Å; V661-S663 VanDerWaalsContact O-N 3.11Å
662	D	94.6	Very high	92.2	Very high	35 Å²	35	26.5 Å²	26.5	19%	0.187	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	8.3	172.7	66.7	26.9	0	0	0	115	H642 Q643 A660 T664	H642-D662 VanDerWaalsContact CA-OD2 3.24Å; H642-D662 WeakPolarHBondContact CA-OD2 3.49Å; H642-D662 WeakPolarHBondContact CB-OD2 3.25Å; H642-D662 IonicContact CE1-OD1 2.62Å; H642-D662 IonicContact CG-OD2 2.63Å; H642-D662 IonicContact ND1-OD1 3.89Å; H642-D662 PolarHBondContact ND1-OD1 2.77Å; H642-D662 IonicContact ND1-OD2 3.41Å; H642-D662 PolarHBondContact ND1-OD2 3.35Å; Q643-D662 HydrophobicContact CB-CB 4.2Å; Q643-D662 PolarHBondContact N-OD2 2.82Å; A660-D662 PolarHBondContact O-N 3.31Å; D662-T664 PolarHBondContact O-N 2.99Å; D662-T664 VanDerWaalsContact O-N 3.13Å; D662-T664 WeakPolarHBondContact OD1-CB 3.3Å; D662-T664 PolarHBondContact OD1-N 2.91Å; D662-T664 PolarHBondContact OD1-OG1 3.43Å
663	S	96.5	Very high	92.4	Very high	28 Å²	28	27.6 Å²	27.6	20%	0.196	16%	0.156	C	C	.	.	S	Bend	trans	63.1	11.3	179.7	-44.2	0	0	0	0	114.6	G397 A660 V661	G397-S663 VanDerWaalsContact CA-OG 3.23Å; G397-S663 WeakPolarHBondContact CA-OG 3.34Å; G397-S663 WeakPolarHBondContact O-CB 3.3Å; G397-S663 PolarHBondContact O-OG 2.85Å; A660-S663 PolarHBondContact O-N 2.86Å; A660-S663 VanDerWaalsContact O-N 3.15Å; V661-S663 PolarHBondContact O-N 2.84Å; V661-S663 VanDerWaalsContact O-N 3.11Å
664	T	94.7	Very high	92.9	Very high	19 Å²	19	20.4 Å²	20.4	12%	0.117	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	158.4	175.9	78	0	0	0	0	112.4	T391 F392 V393 A660 D662 K666	T391-T664 HydrophobicContact CG2-CG2 4.02Å; F392-T664 WeakPolarHBondContact O-CA 3.35Å; V393-T664 HydrophobicContact CG2-CG2 4.14Å; A660-T664 PolarHBondContact N-O 2.95Å; D662-T664 PolarHBondContact O-N 2.99Å; D662-T664 VanDerWaalsContact O-N 3.13Å; D662-T664 WeakPolarHBondContact OD1-CB 3.3Å; D662-T664 PolarHBondContact OD1-N 2.91Å; D662-T664 PolarHBondContact OD1-OG1 3.43Å; T664-K666 PolarHBondContact OG1-NZ 3.48Å
665	V	97.3	Very high	93.6	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.006	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.4	167	-176.9	0	0	0	0	109.1	T391 F392 V399 L402 L411 F657 S658	T391-V665 CarbonylContact C-O 3.56Å; T391-V665 WeakPolarHBondContact CA-O 3.47Å; F392-V665 HydrophobicContact CB-CB 4.22Å; F392-V665 HydrophobicContact CD2-CB 4.16Å; F392-V665 HydrophobicContact CD2-CG1 4.19Å; F392-V665 PolarHBondContact N-O 2.97Å; F392-V665 PolarHBondContact O-N 2.91Å; V399-V665 HydrophobicContact CB-CG2 4.36Å; V399-V665 HydrophobicContact CG1-CG2 3.93Å; V399-V665 HydrophobicContact CG2-CG2 3.98Å; L402-V665 HydrophobicContact CD1-CG1 3.93Å; L402-V665 HydrophobicContact CD2-CG1 3.95Å; L402-V665 HydrophobicContact CD2-CG2 3.85Å; L411-V665 HydrophobicContact CD2-CG1 3.92Å; F657-V665 HydrophobicContact CB-CG1 4.49Å; S658-V665 CarbonylContact O-C 3.59Å; S658-V665 VanDerWaalsContact O-CA 3.23Å; S658-V665 WeakPolarHBondContact O-CA 3.44Å
666	K	94.9	Very high	94	Very high	19 Å²	19	18.1 Å²	18.1	8%	0.083	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	143.2	-178	-62.3	-169.4	-170.8	-39.1	0	111.7	T391 R641 H642 F657 S658 T664 W668	T391-K666 HydrophobicContact CG2-CG 4.18Å; T391-K666 VanDerWaalsContact CG2-NZ 3.31Å; T391-K666 PolarHBondContact OG1-NZ 2.9Å; R641-K666 HydrophobicContact CB-CD 3.96Å; R641-K666 WeakPolarHBondContact O-CE 3.31Å; H642-K666 VanDerWaalsContact CE1-CG 3.47Å; H642-K666 WeakPolarHBondContact CE1-CG 3.47Å; H642-K666 WeakPolarHBondContact ND1-CE 3.49Å; F657-K666 CarbonylContact C-O 3.52Å; F657-K666 VanDerWaalsContact CA-O 3.32Å; F657-K666 WeakPolarHBondContact CA-O 3.47Å; S658-K666 PolarHBondContact N-O 2.79Å; S658-K666 PolarHBondContact O-N 2.98Å; T664-K666 PolarHBondContact OG1-NZ 3.48Å; K666-W668 HydrophobicContact CB-CZ2 4.22Å; K666-W668 HydrophobicContact CD-CZ2 4.37Å
667	V	93.8	Very high	94	Very high	8 Å²	8	19.4 Å²	19.4	5%	0.048	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.3	179.6	-170.1	0	0	0	0	108.7	C388 K389 G390 F392 F657	C388-V667 CarbonylContact C-O 3.57Å; C388-V667 WeakPolarHBondContact CA-O 3.32Å; K389-V667 PolarHBondContact N-O 3.45Å; G390-V667 PolarHBondContact O-N 2.83Å; F392-V667 HydrophobicContact CD2-CG2 4.19Å; F392-V667 HydrophobicContact CE2-CG2 3.65Å; F392-V667 HydrophobicContact CZ-CG2 3.97Å; F657-V667 HydrophobicContact CD1-CB 4.4Å; F657-V667 HydrophobicContact CD1-CG1 4.18Å; F657-V667 HydrophobicContact CD1-CG2 3.9Å; F657-V667 HydrophobicContact CE1-CB 4.35Å; F657-V667 HydrophobicContact CE1-CG1 3.77Å; F657-V667 HydrophobicContact CE1-CG2 3.85Å; F657-V667 HydrophobicContact CZ-CG1 4.41Å
668	W	91.9	Very high	93.9	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.015	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	136.3	179.8	-40.7	77.2	0	0	0	110.2	F386 K387 C388 L625 L639 R641 L656 S658 K666	F386-W668 HydrophobicContact CD1-CB 4.13Å; K387-W668 WeakPolarHBondContact O-CA 3.42Å; C388-W668 HydrophobicContact CB-CD2 4.18Å; C388-W668 HydrophobicContact CB-CE3 3.67Å; C388-W668 HydrophobicContact CB-CH2 4.3Å; C388-W668 HydrophobicContact CB-CZ3 3.73Å; L625-W668 HydrophobicContact CD1-CH2 4.19Å; L625-W668 HydrophobicContact CD1-CZ2 3.57Å; L639-W668 HydrophobicContact CB-CE3 4.3Å; L639-W668 HydrophobicContact CB-CH2 3.76Å; L639-W668 HydrophobicContact CB-CZ2 4.45Å; L639-W668 HydrophobicContact CB-CZ3 3.7Å; L639-W668 HydrophobicContact CD1-CD2 4.18Å; L639-W668 HydrophobicContact CD1-CE3 3.92Å; L639-W668 HydrophobicContact CD1-CZ3 4.19Å; L639-W668 HydrophobicContact CD2-CE3 3.91Å; L639-W668 HydrophobicContact CD2-CZ3 3.79Å; L639-W668 HydrophobicContact CG-CE3 4.28Å; L639-W668 HydrophobicContact CG-CZ3 4.11Å; R641-W668 HydrophobicContact CB-CH2 3.57Å; R641-W668 HydrophobicContact CB-CZ2 4.22Å; R641-W668 HydrophobicContact CB-CZ3 4.32Å; R641-W668 HydrophobicContact CG-CH2 3.64Å; R641-W668 HydrophobicContact CG-CZ3 3.89Å; L656-W668 HydrophobicContact CB-CB 4.23Å; L656-W668 HydrophobicContact CD2-CB 4.46Å; L656-W668 HydrophobicContact CD2-CG 4.35Å; L656-W668 PolarHBondContact N-O 2.96Å; L656-W668 PolarHBondContact O-N 3.46Å; S658-W668 PolarHBondContact OG-NE1 3.22Å; K666-W668 HydrophobicContact CB-CZ2 4.22Å; K666-W668 HydrophobicContact CD-CZ2 4.37Å
669	T	86.3	Confident	93.5	Very high	31 Å²	31	22.6 Å²	22.6	19%	0.19	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	168.8	169.9	78.8	0	0	0	0	108.2	F386 K387 K389 R655	F386-T669 CarbonylContact C-O 3.56Å; F386-T669 WeakPolarHBondContact CA-O 3.32Å; K387-T669 PolarHBondContact N-O 2.82Å; K387-T669 PolarHBondContact O-N 3.01Å; K389-T669 WeakPolarHBondContact CE-OG1 3.48Å; K389-T669 HydrophobicContact CG-CG2 4.18Å; R655-T669 HydrophobicContact CB-CG2 4.09Å; R655-T669 HydrophobicContact CG-CG2 3.75Å
670	C	78.6	Confident	93.1	Very high	71 Å²	71	24.6 Å²	24.6	48%	0.48	15%	0.15	S	C	.	.			trans	-56.8	0	155.8	-165.3	0	0	0	0	110.5	Q384 K389	Q384-C670 WeakPolarHBondContact CA-SG 3.42Å; Q384-C670 HydrophobicContact CB-CB 4.24Å; Q384-C670 VanDerWaalsContact CB-SG 3.56Å; K389-C670 WeakPolarHBondContact CE-O 3.35Å; K389-C670 PolarHBondContact NZ-O 2.69Å; K389-C670 PolarHBondContact NZ-OXT 2.69Å

Retrieved 670 of 670 residues in 187.6 ms (Link to these results)

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